USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 722 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 87 THR OG1 : rot -110:sc= 0.279 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -1.92 K(o=-1.6,f=-7.3!) USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -1.53 F(o=-4.6!,f=-1.5) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= -0.167 (180deg=-0.752) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.266 USER MOD Single : A 22 THR OG1 : rot 51:sc= 0.479 USER MOD Single : A 25 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-4.9!) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -0.0459 (180deg=-0.297) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 35 MET CE :methyl 145:sc= -2.44! (180deg=-4.42!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 39:sc= -2.98! USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= -0.0185 (180deg=-0.243) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.699 USER MOD Single : A 79 LYS NZ :NH3+ 144:sc= -2.22! (180deg=-4.81!) USER MOD Single : A 82 LYS NZ :NH3+ -138:sc= 1.19 (180deg=0.123) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -4.82! C(o=-4.8!,f=-10!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -100:sc= -3.44! USER MOD Single : A 103 ASN :FLIP amide:sc= -4.84! C(o=-6.8!,f=-4.8!) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.128 USER MOD Single : A 107 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 111 ASN : amide:sc= -0.141 K(o=-0.14,f=-1) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 0.324 -7.593 13.333 1.00 0.00 N ATOM 180 CA ASN A 10 0.436 -7.050 11.988 1.00 0.00 C ATOM 181 C ASN A 10 1.863 -6.622 11.683 1.00 0.00 C ATOM 182 O ASN A 10 2.621 -7.350 11.043 1.00 0.00 O ATOM 183 CB ASN A 10 -0.501 -5.856 11.821 1.00 0.00 C ATOM 184 CG ASN A 10 -1.071 -5.360 13.136 1.00 0.00 C ATOM 185 OD1 ASN A 10 -0.397 -4.389 13.744 1.00 0.00 O flip ATOM 186 ND2 ASN A 10 -2.109 -5.838 13.596 1.00 0.00 N flip ATOM 0 HA ASN A 10 0.154 -7.836 11.288 1.00 0.00 H new ATOM 0 HB2 ASN A 10 0.039 -5.043 11.336 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.320 -6.134 11.158 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.593 -6.583 13.095 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.484 -5.489 14.478 1.00 0.00 H new ATOM 193 N ASP A 11 2.199 -5.425 12.143 1.00 0.00 N ATOM 194 CA ASP A 11 3.519 -4.844 11.953 1.00 0.00 C ATOM 195 C ASP A 11 4.605 -5.909 11.934 1.00 0.00 C ATOM 196 O ASP A 11 4.924 -6.510 12.958 1.00 0.00 O ATOM 197 CB ASP A 11 3.801 -3.830 13.059 1.00 0.00 C ATOM 198 CG ASP A 11 3.018 -4.129 14.323 1.00 0.00 C ATOM 199 OD1 ASP A 11 3.327 -5.139 14.989 1.00 0.00 O ATOM 200 OD2 ASP A 11 2.093 -3.354 14.645 1.00 0.00 O ATOM 0 H ASP A 11 1.558 -4.826 12.663 1.00 0.00 H new ATOM 0 HA ASP A 11 3.529 -4.344 10.985 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.867 -3.829 13.286 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.549 -2.830 12.706 1.00 0.00 H new ATOM 205 N LYS A 12 5.151 -6.145 10.752 1.00 0.00 N ATOM 206 CA LYS A 12 6.214 -7.127 10.578 1.00 0.00 C ATOM 207 C LYS A 12 7.581 -6.498 10.830 1.00 0.00 C ATOM 208 O LYS A 12 8.187 -5.917 9.930 1.00 0.00 O ATOM 209 CB LYS A 12 6.163 -7.723 9.170 1.00 0.00 C ATOM 210 CG LYS A 12 6.293 -9.237 9.152 1.00 0.00 C ATOM 211 CD LYS A 12 6.327 -9.782 7.734 1.00 0.00 C ATOM 212 CE LYS A 12 7.619 -9.410 7.023 1.00 0.00 C ATOM 213 NZ LYS A 12 7.649 -9.915 5.622 1.00 0.00 N ATOM 0 H LYS A 12 4.875 -5.668 9.894 1.00 0.00 H new ATOM 0 HA LYS A 12 6.061 -7.924 11.306 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.222 -7.441 8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.963 -7.290 8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.202 -9.530 9.676 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.457 -9.680 9.692 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.223 -10.867 7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.477 -9.393 7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.732 -8.326 7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.467 -9.818 7.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.546 -9.640 5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.567 -10.952 5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.855 -9.506 5.089 1.00 0.00 H new ATOM 227 N TRP A 13 8.057 -6.616 12.065 1.00 0.00 N ATOM 228 CA TRP A 13 9.344 -6.067 12.459 1.00 0.00 C ATOM 229 C TRP A 13 10.480 -6.933 11.927 1.00 0.00 C ATOM 230 O TRP A 13 10.818 -7.958 12.522 1.00 0.00 O ATOM 231 CB TRP A 13 9.399 -5.963 13.984 1.00 0.00 C ATOM 232 CG TRP A 13 8.078 -5.568 14.585 1.00 0.00 C ATOM 233 CD1 TRP A 13 7.030 -6.397 14.867 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.657 -4.249 14.964 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.977 -5.674 15.375 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.337 -4.355 15.449 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.263 -2.991 14.938 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.614 -3.249 15.898 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.548 -1.897 15.389 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.234 -2.031 15.860 1.00 0.00 C ATOM 0 H TRP A 13 7.561 -7.094 12.817 1.00 0.00 H new ATOM 0 HA TRP A 13 9.462 -5.071 12.031 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.711 -6.922 14.399 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.156 -5.232 14.268 1.00 0.00 H new ATOM 0 HD1 TRP A 13 7.029 -7.466 14.713 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.074 -6.058 15.652 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.272 -2.875 14.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.602 -3.351 16.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.010 -0.921 15.378 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.701 -1.155 16.199 1.00 0.00 H new ATOM 251 N VAL A 14 11.070 -6.517 10.803 1.00 0.00 N ATOM 252 CA VAL A 14 12.156 -7.287 10.189 1.00 0.00 C ATOM 253 C VAL A 14 13.145 -6.399 9.450 1.00 0.00 C ATOM 254 O VAL A 14 13.077 -5.174 9.522 1.00 0.00 O ATOM 255 CB VAL A 14 11.611 -8.340 9.200 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.781 -9.389 9.924 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.797 -7.672 8.102 1.00 0.00 C ATOM 0 H VAL A 14 10.819 -5.663 10.305 1.00 0.00 H new ATOM 0 HA VAL A 14 12.671 -7.783 11.011 1.00 0.00 H new ATOM 0 HB VAL A 14 12.461 -8.844 8.739 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.409 -10.119 9.205 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.400 -9.894 10.666 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.939 -8.907 10.421 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.421 -8.430 7.415 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.958 -7.137 8.546 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.428 -6.970 7.557 1.00 0.00 H new ATOM 267 N ASP A 15 14.068 -7.047 8.744 1.00 0.00 N ATOM 268 CA ASP A 15 15.099 -6.359 7.974 1.00 0.00 C ATOM 269 C ASP A 15 14.880 -6.574 6.476 1.00 0.00 C ATOM 270 O ASP A 15 13.946 -7.272 6.079 1.00 0.00 O ATOM 271 CB ASP A 15 16.472 -6.892 8.382 1.00 0.00 C ATOM 272 CG ASP A 15 17.043 -6.174 9.588 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.554 -6.419 10.711 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.984 -5.373 9.410 1.00 0.00 O ATOM 0 H ASP A 15 14.122 -8.064 8.690 1.00 0.00 H new ATOM 0 HA ASP A 15 15.045 -5.290 8.180 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.393 -7.957 8.602 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.161 -6.790 7.543 1.00 0.00 H new ATOM 279 N THR A 16 15.742 -5.981 5.647 1.00 0.00 N ATOM 280 CA THR A 16 15.616 -6.125 4.196 1.00 0.00 C ATOM 281 C THR A 16 16.739 -5.405 3.448 1.00 0.00 C ATOM 282 O THR A 16 17.689 -4.911 4.054 1.00 0.00 O ATOM 283 CB THR A 16 14.262 -5.580 3.702 1.00 0.00 C ATOM 284 OG1 THR A 16 13.914 -6.188 2.452 1.00 0.00 O ATOM 285 CG2 THR A 16 14.299 -4.068 3.539 1.00 0.00 C ATOM 0 H THR A 16 16.526 -5.403 5.951 1.00 0.00 H new ATOM 0 HA THR A 16 15.683 -7.192 3.986 1.00 0.00 H new ATOM 0 HB THR A 16 13.510 -5.826 4.452 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.051 -5.837 2.146 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.329 -3.716 3.189 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.529 -3.604 4.498 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.066 -3.799 2.813 1.00 0.00 H new ATOM 293 N HIS A 17 16.616 -5.360 2.121 1.00 0.00 N ATOM 294 CA HIS A 17 17.601 -4.697 1.273 1.00 0.00 C ATOM 295 C HIS A 17 16.960 -3.531 0.522 1.00 0.00 C ATOM 296 O HIS A 17 15.815 -3.170 0.788 1.00 0.00 O ATOM 297 CB HIS A 17 18.215 -5.692 0.286 1.00 0.00 C ATOM 298 CG HIS A 17 19.349 -6.483 0.859 1.00 0.00 C ATOM 299 ND1 HIS A 17 20.673 -6.194 0.607 1.00 0.00 N ATOM 300 CD2 HIS A 17 19.351 -7.564 1.676 1.00 0.00 C ATOM 301 CE1 HIS A 17 21.441 -7.062 1.243 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.663 -7.903 1.899 1.00 0.00 N ATOM 0 H HIS A 17 15.838 -5.778 1.610 1.00 0.00 H new ATOM 0 HA HIS A 17 18.395 -4.306 1.909 1.00 0.00 H new ATOM 0 HB2 HIS A 17 17.440 -6.379 -0.054 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.568 -5.150 -0.591 1.00 0.00 H new ATOM 0 HD2 HIS A 17 18.483 -8.066 2.077 1.00 0.00 H new ATOM 0 HE1 HIS A 17 22.521 -7.080 1.228 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.984 -8.679 2.478 1.00 0.00 H new ATOM 311 N VAL A 18 17.697 -2.953 -0.422 1.00 0.00 N ATOM 312 CA VAL A 18 17.196 -1.813 -1.188 1.00 0.00 C ATOM 313 C VAL A 18 16.323 -2.242 -2.365 1.00 0.00 C ATOM 314 O VAL A 18 16.588 -3.246 -3.025 1.00 0.00 O ATOM 315 CB VAL A 18 18.356 -0.940 -1.712 1.00 0.00 C ATOM 316 CG1 VAL A 18 19.257 -1.743 -2.637 1.00 0.00 C ATOM 317 CG2 VAL A 18 17.820 0.298 -2.416 1.00 0.00 C ATOM 0 H VAL A 18 18.639 -3.252 -0.675 1.00 0.00 H new ATOM 0 HA VAL A 18 16.583 -1.232 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 18 18.952 -0.614 -0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.068 -1.109 -2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 18 19.673 -2.592 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 18 18.677 -2.105 -3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 18 18.653 0.900 -2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 18 17.197 -0.003 -3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 18 17.225 0.885 -1.717 1.00 0.00 H new ATOM 327 N GLY A 19 15.276 -1.457 -2.611 1.00 0.00 N ATOM 328 CA GLY A 19 14.355 -1.724 -3.703 1.00 0.00 C ATOM 329 C GLY A 19 13.777 -3.122 -3.682 1.00 0.00 C ATOM 330 O GLY A 19 13.280 -3.598 -4.702 1.00 0.00 O ATOM 0 H GLY A 19 15.047 -0.628 -2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.539 -1.002 -3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.873 -1.568 -4.650 1.00 0.00 H new ATOM 334 N LYS A 20 13.846 -3.787 -2.534 1.00 0.00 N ATOM 335 CA LYS A 20 13.296 -5.127 -2.409 1.00 0.00 C ATOM 336 C LYS A 20 11.783 -5.076 -2.573 1.00 0.00 C ATOM 337 O LYS A 20 11.040 -5.070 -1.593 1.00 0.00 O ATOM 338 CB LYS A 20 13.662 -5.735 -1.055 1.00 0.00 C ATOM 339 CG LYS A 20 14.082 -7.188 -1.140 1.00 0.00 C ATOM 340 CD LYS A 20 15.527 -7.288 -1.565 1.00 0.00 C ATOM 341 CE LYS A 20 16.119 -8.648 -1.234 1.00 0.00 C ATOM 342 NZ LYS A 20 16.073 -8.935 0.227 1.00 0.00 N ATOM 0 H LYS A 20 14.275 -3.421 -1.684 1.00 0.00 H new ATOM 0 HA LYS A 20 13.721 -5.757 -3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.472 -5.156 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.807 -5.651 -0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.946 -7.671 -0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.448 -7.716 -1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.604 -7.109 -2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.106 -6.509 -1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.573 -9.422 -1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.152 -8.688 -1.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.786 -9.654 0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.272 -8.063 0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.129 -9.288 0.482 1.00 0.00 H new ATOM 356 N THR A 21 11.341 -5.021 -3.825 1.00 0.00 N ATOM 357 CA THR A 21 9.921 -4.947 -4.137 1.00 0.00 C ATOM 358 C THR A 21 9.135 -6.025 -3.407 1.00 0.00 C ATOM 359 O THR A 21 9.078 -7.175 -3.843 1.00 0.00 O ATOM 360 CB THR A 21 9.670 -5.081 -5.649 1.00 0.00 C ATOM 361 OG1 THR A 21 10.630 -4.307 -6.378 1.00 0.00 O ATOM 362 CG2 THR A 21 8.267 -4.611 -6.000 1.00 0.00 C ATOM 0 H THR A 21 11.950 -5.026 -4.643 1.00 0.00 H new ATOM 0 HA THR A 21 9.579 -3.967 -3.803 1.00 0.00 H new ATOM 0 HB THR A 21 9.770 -6.132 -5.922 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.463 -4.400 -7.339 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.107 -4.713 -7.073 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.536 -5.217 -5.465 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.151 -3.566 -5.714 1.00 0.00 H new ATOM 370 N THR A 22 8.535 -5.644 -2.286 1.00 0.00 N ATOM 371 CA THR A 22 7.747 -6.571 -1.489 1.00 0.00 C ATOM 372 C THR A 22 6.275 -6.482 -1.855 1.00 0.00 C ATOM 373 O THR A 22 5.590 -5.524 -1.493 1.00 0.00 O ATOM 374 CB THR A 22 7.917 -6.300 0.019 1.00 0.00 C ATOM 375 OG1 THR A 22 9.293 -6.436 0.389 1.00 0.00 O ATOM 376 CG2 THR A 22 7.070 -7.257 0.847 1.00 0.00 C ATOM 0 H THR A 22 8.580 -4.697 -1.909 1.00 0.00 H new ATOM 0 HA THR A 22 8.112 -7.575 -1.707 1.00 0.00 H new ATOM 0 HB THR A 22 7.583 -5.282 0.218 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.849 -5.904 -0.218 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.210 -7.043 1.907 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.019 -7.131 0.587 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.374 -8.283 0.641 1.00 0.00 H new ATOM 384 N GLU A 23 5.807 -7.482 -2.593 1.00 0.00 N ATOM 385 CA GLU A 23 4.426 -7.545 -3.017 1.00 0.00 C ATOM 386 C GLU A 23 3.568 -8.218 -1.961 1.00 0.00 C ATOM 387 O GLU A 23 3.894 -9.302 -1.478 1.00 0.00 O ATOM 388 CB GLU A 23 4.326 -8.313 -4.326 1.00 0.00 C ATOM 389 CG GLU A 23 2.937 -8.274 -4.929 1.00 0.00 C ATOM 390 CD GLU A 23 2.903 -8.795 -6.352 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.026 -10.024 -6.539 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.758 -7.973 -7.281 1.00 0.00 O ATOM 0 H GLU A 23 6.377 -8.266 -2.910 1.00 0.00 H new ATOM 0 HA GLU A 23 4.062 -6.528 -3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.038 -7.898 -5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.613 -9.351 -4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.261 -8.867 -4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.567 -7.249 -4.913 1.00 0.00 H new ATOM 399 N ILE A 24 2.471 -7.569 -1.608 1.00 0.00 N ATOM 400 CA ILE A 24 1.567 -8.104 -0.608 1.00 0.00 C ATOM 401 C ILE A 24 0.121 -8.043 -1.070 1.00 0.00 C ATOM 402 O ILE A 24 -0.488 -6.972 -1.095 1.00 0.00 O ATOM 403 CB ILE A 24 1.689 -7.340 0.716 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.145 -7.326 1.187 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.780 -7.960 1.767 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.359 -6.594 2.496 1.00 0.00 C ATOM 0 H ILE A 24 2.186 -6.671 -2.000 1.00 0.00 H new ATOM 0 HA ILE A 24 1.853 -9.145 -0.459 1.00 0.00 H new ATOM 0 HB ILE A 24 1.373 -6.308 0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.491 -8.354 1.296 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.761 -6.862 0.417 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.876 -7.408 2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.254 -7.917 1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.066 -8.999 1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.415 -6.628 2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.045 -5.556 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.771 -7.071 3.280 1.00 0.00 H new ATOM 418 N HIS A 25 -0.414 -9.192 -1.453 1.00 0.00 N ATOM 419 CA HIS A 25 -1.798 -9.285 -1.879 1.00 0.00 C ATOM 420 C HIS A 25 -2.693 -9.460 -0.660 1.00 0.00 C ATOM 421 O HIS A 25 -2.870 -10.572 -0.160 1.00 0.00 O ATOM 422 CB HIS A 25 -1.992 -10.459 -2.836 1.00 0.00 C ATOM 423 CG HIS A 25 -0.906 -10.593 -3.858 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.056 -11.677 -3.914 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.539 -9.776 -4.872 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.787 -11.520 -4.918 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.514 -10.376 -5.516 1.00 0.00 N ATOM 0 H HIS A 25 0.094 -10.076 -1.477 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.065 -8.367 -2.403 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.049 -11.381 -2.258 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.947 -10.344 -3.348 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.075 -12.475 -3.279 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.990 -8.829 -5.127 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.567 -12.211 -5.202 1.00 0.00 H new ATOM 436 N LEU A 26 -3.247 -8.356 -0.183 1.00 0.00 N ATOM 437 CA LEU A 26 -4.107 -8.377 0.991 1.00 0.00 C ATOM 438 C LEU A 26 -5.551 -8.611 0.585 1.00 0.00 C ATOM 439 O LEU A 26 -5.987 -8.154 -0.466 1.00 0.00 O ATOM 440 CB LEU A 26 -4.000 -7.056 1.749 1.00 0.00 C ATOM 441 CG LEU A 26 -2.587 -6.653 2.179 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.524 -5.160 2.460 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.153 -7.442 3.408 1.00 0.00 C ATOM 0 H LEU A 26 -3.116 -7.431 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.781 -9.191 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.410 -6.264 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.628 -7.116 2.638 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.902 -6.884 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.513 -4.889 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.791 -4.609 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.223 -4.910 3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.146 -7.140 3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.841 -7.243 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.161 -8.507 3.178 1.00 0.00 H new ATOM 455 N LYS A 27 -6.292 -9.315 1.422 1.00 0.00 N ATOM 456 CA LYS A 27 -7.689 -9.596 1.131 1.00 0.00 C ATOM 457 C LYS A 27 -8.590 -8.607 1.853 1.00 0.00 C ATOM 458 O LYS A 27 -8.170 -7.949 2.805 1.00 0.00 O ATOM 459 CB LYS A 27 -8.049 -11.026 1.526 1.00 0.00 C ATOM 460 CG LYS A 27 -7.010 -12.050 1.099 1.00 0.00 C ATOM 461 CD LYS A 27 -7.490 -13.471 1.352 1.00 0.00 C ATOM 462 CE LYS A 27 -6.452 -14.494 0.922 1.00 0.00 C ATOM 463 NZ LYS A 27 -6.141 -14.394 -0.531 1.00 0.00 N ATOM 0 H LYS A 27 -5.954 -9.701 2.304 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.841 -9.489 0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.174 -11.076 2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.010 -11.287 1.082 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.787 -11.923 0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.082 -11.876 1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.711 -13.598 2.412 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.420 -13.644 0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.539 -14.349 1.499 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.816 -15.497 1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.621 -15.242 -0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.027 -14.320 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.558 -13.550 -0.704 1.00 0.00 H new ATOM 477 N GLY A 28 -9.829 -8.510 1.398 1.00 0.00 N ATOM 478 CA GLY A 28 -10.767 -7.587 2.002 1.00 0.00 C ATOM 479 C GLY A 28 -12.064 -7.487 1.225 1.00 0.00 C ATOM 480 O GLY A 28 -12.607 -8.497 0.776 1.00 0.00 O ATOM 0 H GLY A 28 -10.203 -9.054 0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.982 -7.907 3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.309 -6.600 2.068 1.00 0.00 H new ATOM 484 N ASN A 29 -12.558 -6.262 1.063 1.00 0.00 N ATOM 485 CA ASN A 29 -13.799 -6.022 0.333 1.00 0.00 C ATOM 486 C ASN A 29 -14.062 -4.521 0.200 1.00 0.00 C ATOM 487 O ASN A 29 -14.508 -3.882 1.149 1.00 0.00 O ATOM 488 CB ASN A 29 -14.975 -6.692 1.048 1.00 0.00 C ATOM 489 CG ASN A 29 -16.259 -6.610 0.247 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.237 -6.599 -0.984 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.389 -6.553 0.944 1.00 0.00 N ATOM 0 H ASN A 29 -12.116 -5.419 1.429 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.697 -6.451 -0.664 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.734 -7.738 1.237 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.124 -6.219 2.019 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.285 -6.498 0.459 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.360 -6.565 1.964 1.00 0.00 H new ATOM 547 N TYR A 34 -14.293 -0.173 4.718 1.00 0.00 N ATOM 548 CA TYR A 34 -12.889 0.109 5.000 1.00 0.00 C ATOM 549 C TYR A 34 -12.019 -0.097 3.762 1.00 0.00 C ATOM 550 O TYR A 34 -12.514 -0.437 2.686 1.00 0.00 O ATOM 551 CB TYR A 34 -12.383 -0.773 6.145 1.00 0.00 C ATOM 552 CG TYR A 34 -12.986 -0.438 7.492 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.259 -0.881 7.831 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.283 0.319 8.427 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.815 -0.581 9.060 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.836 0.621 9.658 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.100 0.169 9.969 1.00 0.00 C ATOM 558 OH TYR A 34 -14.652 0.469 11.194 1.00 0.00 O ATOM 0 HA TYR A 34 -12.817 1.155 5.297 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.600 -1.815 5.910 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.299 -0.680 6.210 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.823 -1.469 7.122 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.292 0.675 8.187 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.806 -0.933 9.307 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.279 1.209 10.373 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.018 1.003 11.716 1.00 0.00 H new ATOM 568 N MET A 35 -10.719 0.115 3.932 1.00 0.00 N ATOM 569 CA MET A 35 -9.754 -0.023 2.866 1.00 0.00 C ATOM 570 C MET A 35 -8.401 -0.407 3.439 1.00 0.00 C ATOM 571 O MET A 35 -8.079 -0.063 4.574 1.00 0.00 O ATOM 572 CB MET A 35 -9.617 1.303 2.119 1.00 0.00 C ATOM 573 CG MET A 35 -8.236 1.517 1.525 1.00 0.00 C ATOM 574 SD MET A 35 -8.044 3.133 0.742 1.00 0.00 S ATOM 575 CE MET A 35 -9.282 3.042 -0.548 1.00 0.00 C ATOM 0 H MET A 35 -10.309 0.390 4.825 1.00 0.00 H new ATOM 0 HA MET A 35 -10.096 -0.799 2.181 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.358 1.341 1.321 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.842 2.122 2.802 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.488 1.410 2.311 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.039 0.738 0.789 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.728 4.026 -0.694 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.816 2.713 -1.477 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.057 2.332 -0.259 1.00 0.00 H new ATOM 585 N TRP A 36 -7.613 -1.105 2.647 1.00 0.00 N ATOM 586 CA TRP A 36 -6.282 -1.502 3.065 1.00 0.00 C ATOM 587 C TRP A 36 -5.248 -0.693 2.300 1.00 0.00 C ATOM 588 O TRP A 36 -4.767 -1.116 1.249 1.00 0.00 O ATOM 589 CB TRP A 36 -6.057 -2.986 2.824 1.00 0.00 C ATOM 590 CG TRP A 36 -6.132 -3.815 4.066 1.00 0.00 C ATOM 591 CD1 TRP A 36 -6.992 -4.844 4.318 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.313 -3.680 5.231 1.00 0.00 C ATOM 593 NE1 TRP A 36 -6.760 -5.356 5.571 1.00 0.00 N ATOM 594 CE2 TRP A 36 -5.732 -4.659 6.151 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.266 -2.826 5.582 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.140 -4.805 7.401 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.679 -2.972 6.822 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.116 -3.955 7.719 1.00 0.00 C ATOM 0 H TRP A 36 -7.871 -1.410 1.708 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.182 -1.311 4.133 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.800 -3.346 2.112 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.079 -3.126 2.363 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.745 -5.203 3.632 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.269 -6.129 6.000 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.922 -2.066 4.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.476 -5.561 8.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.869 -2.317 7.106 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.635 -4.044 8.682 1.00 0.00 H new ATOM 609 N THR A 37 -4.915 0.477 2.828 1.00 0.00 N ATOM 610 CA THR A 37 -3.951 1.350 2.173 1.00 0.00 C ATOM 611 C THR A 37 -2.881 1.817 3.161 1.00 0.00 C ATOM 612 O THR A 37 -2.816 1.323 4.286 1.00 0.00 O ATOM 613 CB THR A 37 -4.656 2.564 1.535 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.728 3.317 0.744 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.261 3.461 2.603 1.00 0.00 C ATOM 0 H THR A 37 -5.295 0.841 3.702 1.00 0.00 H new ATOM 0 HA THR A 37 -3.465 0.778 1.382 1.00 0.00 H new ATOM 0 HB THR A 37 -5.457 2.192 0.896 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.187 4.084 0.343 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.753 4.310 2.129 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.991 2.896 3.182 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.473 3.821 3.265 1.00 0.00 H new ATOM 623 N ARG A 38 -2.043 2.765 2.745 1.00 0.00 N ATOM 624 CA ARG A 38 -0.982 3.272 3.609 1.00 0.00 C ATOM 625 C ARG A 38 -1.546 4.225 4.664 1.00 0.00 C ATOM 626 O ARG A 38 -2.404 5.056 4.368 1.00 0.00 O ATOM 627 CB ARG A 38 0.090 3.983 2.777 1.00 0.00 C ATOM 628 CG ARG A 38 1.412 3.232 2.696 1.00 0.00 C ATOM 629 CD ARG A 38 1.917 3.122 1.262 1.00 0.00 C ATOM 630 NE ARG A 38 0.933 2.491 0.384 1.00 0.00 N ATOM 631 CZ ARG A 38 0.658 1.188 0.401 1.00 0.00 C ATOM 632 NH1 ARG A 38 1.361 0.374 1.166 1.00 0.00 N ATOM 633 NH2 ARG A 38 -0.306 0.693 -0.361 1.00 0.00 N ATOM 0 H ARG A 38 -2.079 3.194 1.821 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.528 2.423 4.120 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.291 4.136 1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.270 4.970 3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.158 3.743 3.305 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.288 2.233 3.115 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.156 4.116 0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.841 2.544 1.246 1.00 0.00 H new ATOM 0 HE ARG A 38 0.429 3.081 -0.278 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.116 0.743 1.745 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.150 -0.624 1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.845 1.311 -0.968 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.509 -0.306 -0.341 1.00 0.00 H new ATOM 647 N VAL A 39 -1.059 4.093 5.897 1.00 0.00 N ATOM 648 CA VAL A 39 -1.511 4.933 7.003 1.00 0.00 C ATOM 649 C VAL A 39 -1.311 6.413 6.695 1.00 0.00 C ATOM 650 O VAL A 39 -0.266 6.815 6.180 1.00 0.00 O ATOM 651 CB VAL A 39 -0.763 4.596 8.310 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.291 5.437 9.463 1.00 0.00 C ATOM 653 CG2 VAL A 39 -0.873 3.113 8.632 1.00 0.00 C ATOM 0 H VAL A 39 -0.348 3.409 6.155 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.574 4.730 7.132 1.00 0.00 H new ATOM 0 HB VAL A 39 0.291 4.833 8.167 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.751 5.184 10.375 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.148 6.494 9.238 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.353 5.236 9.603 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.338 2.901 9.558 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.922 2.843 8.750 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.438 2.531 7.820 1.00 0.00 H new ATOM 663 N GLY A 40 -2.319 7.221 7.014 1.00 0.00 N ATOM 664 CA GLY A 40 -2.237 8.651 6.770 1.00 0.00 C ATOM 665 C GLY A 40 -2.310 9.000 5.297 1.00 0.00 C ATOM 666 O GLY A 40 -2.508 10.162 4.938 1.00 0.00 O ATOM 0 H GLY A 40 -3.193 6.910 7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.048 9.152 7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.303 9.033 7.183 1.00 0.00 H new ATOM 670 N PHE A 41 -2.150 7.996 4.442 1.00 0.00 N ATOM 671 CA PHE A 41 -2.194 8.201 3.001 1.00 0.00 C ATOM 672 C PHE A 41 -3.501 7.678 2.429 1.00 0.00 C ATOM 673 O PHE A 41 -3.606 7.382 1.239 1.00 0.00 O ATOM 674 CB PHE A 41 -1.005 7.505 2.336 1.00 0.00 C ATOM 675 CG PHE A 41 0.331 7.946 2.876 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.469 9.166 3.525 1.00 0.00 C ATOM 677 CD2 PHE A 41 1.448 7.140 2.733 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.695 9.570 4.018 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.677 7.539 3.225 1.00 0.00 C ATOM 680 CZ PHE A 41 2.801 8.756 3.868 1.00 0.00 C ATOM 0 H PHE A 41 -1.988 7.029 4.724 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.134 9.270 2.798 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.104 6.428 2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.035 7.697 1.264 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.392 9.807 3.646 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.358 6.188 2.231 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.789 10.522 4.520 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.540 6.900 3.107 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.760 9.070 4.252 1.00 0.00 H new ATOM 690 N VAL A 42 -4.499 7.577 3.296 1.00 0.00 N ATOM 691 CA VAL A 42 -5.813 7.091 2.906 1.00 0.00 C ATOM 692 C VAL A 42 -6.589 8.157 2.142 1.00 0.00 C ATOM 693 O VAL A 42 -7.053 9.139 2.723 1.00 0.00 O ATOM 694 CB VAL A 42 -6.621 6.660 4.141 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.868 5.901 3.719 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.752 5.827 5.071 1.00 0.00 C ATOM 0 H VAL A 42 -4.421 7.828 4.282 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.663 6.230 2.255 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.941 7.549 4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.429 5.603 4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.490 6.542 3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.580 5.013 3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.335 5.527 5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.403 4.939 4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.894 6.417 5.394 1.00 0.00 H new ATOM 706 N GLY A 43 -6.724 7.958 0.834 1.00 0.00 N ATOM 707 CA GLY A 43 -7.441 8.910 0.008 1.00 0.00 C ATOM 708 C GLY A 43 -6.506 9.821 -0.763 1.00 0.00 C ATOM 709 O GLY A 43 -6.918 10.476 -1.722 1.00 0.00 O ATOM 0 H GLY A 43 -6.349 7.153 0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.080 8.372 -0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.096 9.513 0.637 1.00 0.00 H new ATOM 763 N LEU A 47 0.759 7.083 -2.501 1.00 0.00 N ATOM 764 CA LEU A 47 1.000 6.452 -1.221 1.00 0.00 C ATOM 765 C LEU A 47 2.454 6.648 -0.835 1.00 0.00 C ATOM 766 O LEU A 47 2.773 7.329 0.139 1.00 0.00 O ATOM 767 CB LEU A 47 0.669 4.968 -1.329 1.00 0.00 C ATOM 768 CG LEU A 47 -0.659 4.663 -2.035 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.901 3.168 -2.110 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.816 5.353 -1.327 1.00 0.00 C ATOM 0 HA LEU A 47 0.370 6.900 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.475 4.467 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.640 4.541 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.596 5.051 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.848 2.978 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.092 2.696 -2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.937 2.754 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.748 5.123 -1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.875 5.000 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.655 6.431 -1.332 1.00 0.00 H new ATOM 782 N SER A 48 3.323 6.037 -1.621 1.00 0.00 N ATOM 783 CA SER A 48 4.762 6.145 -1.428 1.00 0.00 C ATOM 784 C SER A 48 5.189 7.609 -1.297 1.00 0.00 C ATOM 785 O SER A 48 4.383 8.519 -1.488 1.00 0.00 O ATOM 786 CB SER A 48 5.480 5.513 -2.615 1.00 0.00 C ATOM 787 OG SER A 48 5.447 6.365 -3.747 1.00 0.00 O ATOM 0 H SER A 48 3.053 5.452 -2.411 1.00 0.00 H new ATOM 0 HA SER A 48 5.028 5.624 -0.508 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.515 5.301 -2.346 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.012 4.559 -2.861 1.00 0.00 H new ATOM 0 HG SER A 48 5.916 5.936 -4.493 1.00 0.00 H new ATOM 793 N ASP A 49 6.464 7.831 -0.988 1.00 0.00 N ATOM 794 CA ASP A 49 6.982 9.187 -0.838 1.00 0.00 C ATOM 795 C ASP A 49 8.461 9.267 -1.202 1.00 0.00 C ATOM 796 O ASP A 49 8.817 9.406 -2.373 1.00 0.00 O ATOM 797 CB ASP A 49 6.774 9.692 0.591 1.00 0.00 C ATOM 798 CG ASP A 49 5.323 10.010 0.889 1.00 0.00 C ATOM 799 OD1 ASP A 49 4.585 9.088 1.299 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.923 11.180 0.712 1.00 0.00 O ATOM 0 H ASP A 49 7.153 7.094 -0.838 1.00 0.00 H new ATOM 0 HA ASP A 49 6.425 9.822 -1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.129 8.939 1.294 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.378 10.585 0.749 1.00 0.00 H new ATOM 805 N GLU A 50 9.319 9.179 -0.191 1.00 0.00 N ATOM 806 CA GLU A 50 10.757 9.259 -0.394 1.00 0.00 C ATOM 807 C GLU A 50 11.473 8.081 0.258 1.00 0.00 C ATOM 808 O GLU A 50 12.495 7.610 -0.239 1.00 0.00 O ATOM 809 CB GLU A 50 11.273 10.571 0.188 1.00 0.00 C ATOM 810 CG GLU A 50 11.131 10.664 1.698 1.00 0.00 C ATOM 811 CD GLU A 50 11.593 12.000 2.248 1.00 0.00 C ATOM 812 OE1 GLU A 50 10.761 12.926 2.334 1.00 0.00 O ATOM 813 OE2 GLU A 50 12.788 12.118 2.592 1.00 0.00 O ATOM 0 H GLU A 50 9.039 9.052 0.782 1.00 0.00 H new ATOM 0 HA GLU A 50 10.961 9.222 -1.464 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.324 10.688 -0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.734 11.400 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.088 10.504 1.971 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.708 9.865 2.163 1.00 0.00 H new ATOM 820 N ILE A 51 10.928 7.614 1.374 1.00 0.00 N ATOM 821 CA ILE A 51 11.510 6.496 2.104 1.00 0.00 C ATOM 822 C ILE A 51 11.276 5.182 1.375 1.00 0.00 C ATOM 823 O ILE A 51 12.199 4.599 0.811 1.00 0.00 O ATOM 824 CB ILE A 51 10.912 6.388 3.516 1.00 0.00 C ATOM 825 CG1 ILE A 51 10.880 7.763 4.184 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.699 5.393 4.355 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.252 8.331 4.483 1.00 0.00 C ATOM 0 H ILE A 51 10.080 7.994 1.795 1.00 0.00 H new ATOM 0 HA ILE A 51 12.581 6.685 2.174 1.00 0.00 H new ATOM 0 HB ILE A 51 9.888 6.023 3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.343 8.458 3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.316 7.691 5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.261 5.330 5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.666 4.412 3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.735 5.723 4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.146 9.307 4.956 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.786 7.658 5.154 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.812 8.437 3.554 1.00 0.00 H new ATOM 839 N LEU A 52 10.034 4.717 1.406 1.00 0.00 N ATOM 840 CA LEU A 52 9.671 3.470 0.742 1.00 0.00 C ATOM 841 C LEU A 52 8.842 3.730 -0.511 1.00 0.00 C ATOM 842 O LEU A 52 7.755 4.297 -0.433 1.00 0.00 O ATOM 843 CB LEU A 52 8.873 2.563 1.685 1.00 0.00 C ATOM 844 CG LEU A 52 9.628 2.035 2.908 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.726 1.127 3.733 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.886 1.293 2.489 1.00 0.00 C ATOM 0 H LEU A 52 9.262 5.183 1.883 1.00 0.00 H new ATOM 0 HA LEU A 52 10.600 2.976 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.999 3.113 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.507 1.710 1.113 1.00 0.00 H new ATOM 0 HG LEU A 52 9.924 2.886 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.275 0.759 4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.854 1.688 4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.403 0.284 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.405 0.928 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.616 0.450 1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.540 1.969 1.938 1.00 0.00 H new ATOM 858 N GLU A 53 9.370 3.332 -1.667 1.00 0.00 N ATOM 859 CA GLU A 53 8.650 3.482 -2.925 1.00 0.00 C ATOM 860 C GLU A 53 7.478 2.513 -2.961 1.00 0.00 C ATOM 861 O GLU A 53 7.511 1.509 -3.672 1.00 0.00 O ATOM 862 CB GLU A 53 9.582 3.214 -4.105 1.00 0.00 C ATOM 863 CG GLU A 53 10.018 4.468 -4.831 1.00 0.00 C ATOM 864 CD GLU A 53 9.197 4.741 -6.075 1.00 0.00 C ATOM 865 OE1 GLU A 53 8.164 5.434 -5.965 1.00 0.00 O ATOM 866 OE2 GLU A 53 9.587 4.262 -7.161 1.00 0.00 O ATOM 0 H GLU A 53 10.292 2.904 -1.756 1.00 0.00 H new ATOM 0 HA GLU A 53 8.277 4.504 -3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.466 2.686 -3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.080 2.552 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.940 5.320 -4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.068 4.376 -5.107 1.00 0.00 H new ATOM 873 N VAL A 54 6.446 2.813 -2.183 1.00 0.00 N ATOM 874 CA VAL A 54 5.282 1.948 -2.110 1.00 0.00 C ATOM 875 C VAL A 54 4.385 2.085 -3.325 1.00 0.00 C ATOM 876 O VAL A 54 3.496 2.936 -3.367 1.00 0.00 O ATOM 877 CB VAL A 54 4.433 2.206 -0.856 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.766 0.912 -0.435 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.265 2.790 0.273 1.00 0.00 C ATOM 0 H VAL A 54 6.394 3.646 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 54 5.687 0.937 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 54 3.668 2.945 -1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.161 1.087 0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.128 0.552 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.528 0.165 -0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.630 2.959 1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.062 2.094 0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.700 3.736 -0.048 1.00 0.00 H new ATOM 889 N VAL A 55 4.628 1.245 -4.317 1.00 0.00 N ATOM 890 CA VAL A 55 3.820 1.235 -5.517 1.00 0.00 C ATOM 891 C VAL A 55 2.711 0.211 -5.367 1.00 0.00 C ATOM 892 O VAL A 55 2.859 -0.948 -5.753 1.00 0.00 O ATOM 893 CB VAL A 55 4.646 0.887 -6.758 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.806 1.066 -8.012 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.909 1.735 -6.820 1.00 0.00 C ATOM 0 H VAL A 55 5.383 0.559 -4.311 1.00 0.00 H new ATOM 0 HA VAL A 55 3.410 2.236 -5.649 1.00 0.00 H new ATOM 0 HB VAL A 55 4.950 -0.158 -6.694 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.403 0.816 -8.889 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.938 0.409 -7.965 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.474 2.102 -8.083 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.481 1.471 -7.710 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.637 2.790 -6.863 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.514 1.552 -5.932 1.00 0.00 H new ATOM 905 N CYS A 56 1.602 0.645 -4.805 1.00 0.00 N ATOM 906 CA CYS A 56 0.476 -0.244 -4.573 1.00 0.00 C ATOM 907 C CYS A 56 -0.695 0.077 -5.480 1.00 0.00 C ATOM 908 O CYS A 56 -0.957 1.237 -5.800 1.00 0.00 O ATOM 909 CB CYS A 56 0.030 -0.165 -3.116 1.00 0.00 C ATOM 910 SG CYS A 56 -1.579 -0.927 -2.795 1.00 0.00 S ATOM 0 H CYS A 56 1.453 1.607 -4.500 1.00 0.00 H new ATOM 0 HA CYS A 56 0.811 -1.256 -4.801 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.780 -0.649 -2.491 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.009 0.882 -2.815 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.688 -2.020 -3.491 1.00 0.00 H new ATOM 916 N LYS A 57 -1.396 -0.969 -5.886 1.00 0.00 N ATOM 917 CA LYS A 57 -2.558 -0.828 -6.738 1.00 0.00 C ATOM 918 C LYS A 57 -3.766 -1.457 -6.063 1.00 0.00 C ATOM 919 O LYS A 57 -3.794 -2.666 -5.810 1.00 0.00 O ATOM 920 CB LYS A 57 -2.320 -1.486 -8.094 1.00 0.00 C ATOM 921 CG LYS A 57 -0.967 -1.156 -8.704 1.00 0.00 C ATOM 922 CD LYS A 57 -0.776 -1.846 -10.045 1.00 0.00 C ATOM 923 CE LYS A 57 0.583 -1.531 -10.646 1.00 0.00 C ATOM 924 NZ LYS A 57 0.761 -0.072 -10.883 1.00 0.00 N ATOM 0 H LYS A 57 -1.175 -1.932 -5.634 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.743 0.234 -6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.405 -2.567 -7.983 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.105 -1.173 -8.782 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.879 -0.077 -8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.175 -1.461 -8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.878 -2.924 -9.918 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.561 -1.530 -10.733 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.367 -1.889 -9.978 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.697 -2.068 -11.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.593 0.083 -11.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.084 0.309 -11.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.898 0.413 -9.973 1.00 0.00 H new ATOM 938 N TYR A 58 -4.746 -0.629 -5.749 1.00 0.00 N ATOM 939 CA TYR A 58 -5.960 -1.104 -5.111 1.00 0.00 C ATOM 940 C TYR A 58 -6.931 -1.596 -6.173 1.00 0.00 C ATOM 941 O TYR A 58 -7.542 -0.803 -6.889 1.00 0.00 O ATOM 942 CB TYR A 58 -6.604 0.007 -4.262 1.00 0.00 C ATOM 943 CG TYR A 58 -7.775 -0.444 -3.406 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.703 -1.378 -3.869 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.956 0.080 -2.130 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.769 -1.778 -3.094 1.00 0.00 C ATOM 947 CE2 TYR A 58 -9.027 -0.313 -1.350 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.929 -1.241 -1.834 1.00 0.00 C ATOM 949 OH TYR A 58 -10.994 -1.632 -1.055 1.00 0.00 O ATOM 0 H TYR A 58 -4.725 0.375 -5.925 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.709 -1.929 -4.444 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.841 0.437 -3.612 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.942 0.802 -4.926 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.582 -1.797 -4.857 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.251 0.802 -1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.473 -2.506 -3.470 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.159 0.105 -0.363 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.961 -1.161 -0.196 1.00 0.00 H new ATOM 959 N THR A 59 -7.065 -2.912 -6.270 1.00 0.00 N ATOM 960 CA THR A 59 -7.968 -3.517 -7.234 1.00 0.00 C ATOM 961 C THR A 59 -9.239 -3.993 -6.534 1.00 0.00 C ATOM 962 O THR A 59 -9.171 -4.735 -5.554 1.00 0.00 O ATOM 963 CB THR A 59 -7.301 -4.698 -7.960 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.951 -4.359 -8.303 1.00 0.00 O ATOM 965 CG2 THR A 59 -8.067 -5.057 -9.223 1.00 0.00 C ATOM 0 H THR A 59 -6.558 -3.581 -5.690 1.00 0.00 H new ATOM 0 HA THR A 59 -8.222 -2.760 -7.976 1.00 0.00 H new ATOM 0 HB THR A 59 -7.306 -5.558 -7.290 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.531 -5.115 -8.763 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.577 -5.894 -9.720 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.088 -5.336 -8.962 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.086 -4.198 -9.894 1.00 0.00 H new ATOM 973 N PRO A 60 -10.419 -3.564 -7.020 1.00 0.00 N ATOM 974 CA PRO A 60 -11.700 -3.926 -6.428 1.00 0.00 C ATOM 975 C PRO A 60 -12.228 -5.270 -6.916 1.00 0.00 C ATOM 976 O PRO A 60 -11.742 -5.824 -7.902 1.00 0.00 O ATOM 977 CB PRO A 60 -12.634 -2.789 -6.872 1.00 0.00 C ATOM 978 CG PRO A 60 -11.843 -1.928 -7.812 1.00 0.00 C ATOM 979 CD PRO A 60 -10.607 -2.694 -8.179 1.00 0.00 C ATOM 0 HA PRO A 60 -11.620 -4.039 -5.347 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.522 -3.186 -7.364 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.977 -2.212 -6.013 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.427 -1.691 -8.701 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.583 -0.981 -7.340 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.741 -3.265 -9.098 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.753 -2.035 -8.335 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.579 -7.010 -3.999 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.520 -7.041 -3.005 1.00 0.00 C ATOM 1137 C ILE A 73 -6.708 -5.756 -3.022 1.00 0.00 C ATOM 1138 O ILE A 73 -7.110 -4.755 -3.617 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.554 -8.221 -3.220 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.978 -8.213 -4.632 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.228 -9.545 -2.919 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.639 -8.911 -4.716 1.00 0.00 C ATOM 0 HA ILE A 73 -8.018 -7.157 -2.043 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.727 -8.100 -2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.680 -8.698 -5.310 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.869 -7.183 -4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.520 -10.358 -3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.563 -9.555 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.086 -9.675 -3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.274 -8.876 -5.743 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.926 -8.411 -4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.750 -9.950 -4.405 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.559 -5.799 -2.359 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.668 -4.655 -2.278 1.00 0.00 C ATOM 1156 C TYR A 74 -3.228 -5.105 -2.498 1.00 0.00 C ATOM 1157 O TYR A 74 -2.581 -5.599 -1.576 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.807 -3.992 -0.906 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.196 -4.115 -0.309 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.614 -5.295 0.300 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.087 -3.054 -0.348 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.875 -5.410 0.849 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.352 -3.164 0.203 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.740 -4.342 0.798 1.00 0.00 C ATOM 1165 OH TYR A 74 -9.998 -4.452 1.345 1.00 0.00 O ATOM 0 H TYR A 74 -5.222 -6.626 -1.865 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.934 -3.934 -3.051 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.086 -4.438 -0.221 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.551 -2.936 -0.995 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.939 -6.137 0.344 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.790 -2.127 -0.816 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.181 -6.334 1.316 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.033 -2.327 0.166 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.482 -3.608 1.226 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.727 -4.936 -3.721 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.365 -5.348 -4.039 1.00 0.00 C ATOM 1177 C VAL A 75 -0.387 -4.208 -3.787 1.00 0.00 C ATOM 1178 O VAL A 75 -0.391 -3.197 -4.486 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.234 -5.849 -5.495 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -1.746 -4.813 -6.481 1.00 0.00 C ATOM 1181 CG2 VAL A 75 0.208 -6.222 -5.804 1.00 0.00 C ATOM 0 H VAL A 75 -3.239 -4.521 -4.499 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.121 -6.181 -3.380 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.851 -6.741 -5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.641 -5.194 -7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.797 -4.606 -6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.168 -3.895 -6.376 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.281 -6.573 -6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.846 -5.348 -5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.532 -7.013 -5.128 1.00 0.00 H new ATOM 1191 N VAL A 76 0.448 -4.383 -2.774 1.00 0.00 N ATOM 1192 CA VAL A 76 1.420 -3.362 -2.395 1.00 0.00 C ATOM 1193 C VAL A 76 2.855 -3.737 -2.770 1.00 0.00 C ATOM 1194 O VAL A 76 3.348 -4.790 -2.376 1.00 0.00 O ATOM 1195 CB VAL A 76 1.370 -3.110 -0.877 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.319 -1.989 -0.492 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.049 -2.799 -0.426 1.00 0.00 C ATOM 0 H VAL A 76 0.474 -5.224 -2.197 1.00 0.00 H new ATOM 0 HA VAL A 76 1.144 -2.464 -2.948 1.00 0.00 H new ATOM 0 HB VAL A 76 1.691 -4.019 -0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.270 -1.825 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.337 -2.262 -0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.032 -1.075 -1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.059 -2.625 0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.407 -1.908 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.699 -3.641 -0.663 1.00 0.00 H new ATOM 1207 N LEU A 77 3.519 -2.860 -3.532 1.00 0.00 N ATOM 1208 CA LEU A 77 4.912 -3.074 -3.922 1.00 0.00 C ATOM 1209 C LEU A 77 5.800 -2.055 -3.236 1.00 0.00 C ATOM 1210 O LEU A 77 6.009 -0.960 -3.748 1.00 0.00 O ATOM 1211 CB LEU A 77 5.091 -2.956 -5.436 1.00 0.00 C ATOM 1212 CG LEU A 77 4.454 -4.082 -6.250 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.684 -3.862 -7.737 1.00 0.00 C ATOM 1214 CD2 LEU A 77 5.005 -5.430 -5.814 1.00 0.00 C ATOM 0 H LEU A 77 3.111 -1.996 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 77 5.193 -4.082 -3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.668 -2.006 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.157 -2.924 -5.660 1.00 0.00 H new ATOM 0 HG LEU A 77 3.379 -4.076 -6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.223 -4.674 -8.300 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.239 -2.913 -8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.755 -3.841 -7.940 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.541 -6.221 -6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.084 -5.449 -5.967 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.786 -5.588 -4.758 1.00 0.00 H new ATOM 1226 N VAL A 78 6.338 -2.417 -2.084 1.00 0.00 N ATOM 1227 CA VAL A 78 7.184 -1.493 -1.340 1.00 0.00 C ATOM 1228 C VAL A 78 8.650 -1.664 -1.715 1.00 0.00 C ATOM 1229 O VAL A 78 9.273 -2.678 -1.398 1.00 0.00 O ATOM 1230 CB VAL A 78 7.016 -1.652 0.182 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.970 -0.282 0.851 1.00 0.00 C ATOM 1232 CG2 VAL A 78 5.764 -2.451 0.509 1.00 0.00 C ATOM 0 H VAL A 78 6.209 -3.329 -1.647 1.00 0.00 H new ATOM 0 HA VAL A 78 6.861 -0.489 -1.614 1.00 0.00 H new ATOM 0 HB VAL A 78 7.875 -2.201 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.851 -0.406 1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.898 0.253 0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.129 0.288 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.667 -2.550 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.889 -1.936 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.837 -3.441 0.059 1.00 0.00 H new ATOM 1242 N LYS A 79 9.190 -0.657 -2.397 1.00 0.00 N ATOM 1243 CA LYS A 79 10.581 -0.677 -2.831 1.00 0.00 C ATOM 1244 C LYS A 79 11.430 0.298 -2.014 1.00 0.00 C ATOM 1245 O LYS A 79 11.395 1.504 -2.250 1.00 0.00 O ATOM 1246 CB LYS A 79 10.667 -0.329 -4.317 1.00 0.00 C ATOM 1247 CG LYS A 79 10.513 -1.535 -5.230 1.00 0.00 C ATOM 1248 CD LYS A 79 10.731 -1.167 -6.691 1.00 0.00 C ATOM 1249 CE LYS A 79 9.516 -0.472 -7.290 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.296 0.881 -6.709 1.00 0.00 N ATOM 0 H LYS A 79 8.681 0.186 -2.661 1.00 0.00 H new ATOM 0 HA LYS A 79 10.973 -1.681 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.893 0.400 -4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.627 0.148 -4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.227 -2.306 -4.938 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.517 -1.960 -5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.600 -0.515 -6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.952 -2.068 -7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.645 -0.385 -8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.630 -1.085 -7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.942 1.522 -7.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.598 0.819 -5.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.194 1.248 -6.333 1.00 0.00 H new ATOM 1264 N PRO A 80 12.203 -0.218 -1.041 1.00 0.00 N ATOM 1265 CA PRO A 80 13.062 0.611 -0.187 1.00 0.00 C ATOM 1266 C PRO A 80 13.910 1.603 -0.976 1.00 0.00 C ATOM 1267 O PRO A 80 14.948 1.245 -1.533 1.00 0.00 O ATOM 1268 CB PRO A 80 13.956 -0.413 0.511 1.00 0.00 C ATOM 1269 CG PRO A 80 13.144 -1.659 0.550 1.00 0.00 C ATOM 1270 CD PRO A 80 12.295 -1.648 -0.692 1.00 0.00 C ATOM 0 HA PRO A 80 12.474 1.229 0.492 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.887 -0.564 -0.036 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.226 -0.084 1.515 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.785 -2.540 0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.523 -1.691 1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.752 -2.227 -1.494 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.311 -2.079 -0.508 1.00 0.00 H new ATOM 1278 N ARG A 81 13.458 2.852 -1.024 1.00 0.00 N ATOM 1279 CA ARG A 81 14.179 3.901 -1.732 1.00 0.00 C ATOM 1280 C ARG A 81 15.478 4.248 -1.013 1.00 0.00 C ATOM 1281 O ARG A 81 16.466 4.629 -1.640 1.00 0.00 O ATOM 1282 CB ARG A 81 13.307 5.148 -1.852 1.00 0.00 C ATOM 1283 CG ARG A 81 12.956 5.498 -3.285 1.00 0.00 C ATOM 1284 CD ARG A 81 12.014 6.686 -3.347 1.00 0.00 C ATOM 1285 NE ARG A 81 11.742 7.099 -4.722 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.252 8.291 -5.051 1.00 0.00 C ATOM 1287 NH1 ARG A 81 10.987 9.185 -4.109 1.00 0.00 N ATOM 1288 NH2 ARG A 81 11.030 8.589 -6.323 1.00 0.00 N ATOM 0 H ARG A 81 12.594 3.162 -0.580 1.00 0.00 H new ATOM 0 HA ARG A 81 14.422 3.533 -2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.388 4.996 -1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.826 5.991 -1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.867 5.724 -3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.493 4.638 -3.769 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.076 6.431 -2.853 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.447 7.521 -2.797 1.00 0.00 H new ATOM 0 HE ARG A 81 11.939 6.436 -5.472 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.159 8.960 -3.129 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.611 10.098 -4.364 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.235 7.904 -7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.654 9.503 -6.575 1.00 0.00 H new ATOM 1302 N LYS A 82 15.465 4.115 0.311 1.00 0.00 N ATOM 1303 CA LYS A 82 16.638 4.416 1.121 1.00 0.00 C ATOM 1304 C LYS A 82 17.072 3.191 1.921 1.00 0.00 C ATOM 1305 O LYS A 82 16.366 2.183 1.963 1.00 0.00 O ATOM 1306 CB LYS A 82 16.339 5.578 2.071 1.00 0.00 C ATOM 1307 CG LYS A 82 15.811 6.820 1.368 1.00 0.00 C ATOM 1308 CD LYS A 82 15.624 7.973 2.339 1.00 0.00 C ATOM 1309 CE LYS A 82 15.097 9.213 1.637 1.00 0.00 C ATOM 1310 NZ LYS A 82 14.936 10.358 2.576 1.00 0.00 N ATOM 0 H LYS A 82 14.654 3.801 0.844 1.00 0.00 H new ATOM 0 HA LYS A 82 17.451 4.700 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.609 5.252 2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.249 5.837 2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.504 7.115 0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.860 6.590 0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.931 7.678 3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.575 8.203 2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.780 9.494 0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.137 8.987 1.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.043 10.850 2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.923 10.005 3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.730 11.019 2.457 1.00 0.00 H new ATOM 1324 N ARG A 83 18.240 3.282 2.550 1.00 0.00 N ATOM 1325 CA ARG A 83 18.767 2.184 3.350 1.00 0.00 C ATOM 1326 C ARG A 83 18.868 2.581 4.819 1.00 0.00 C ATOM 1327 O ARG A 83 19.439 3.618 5.155 1.00 0.00 O ATOM 1328 CB ARG A 83 20.142 1.766 2.826 1.00 0.00 C ATOM 1329 CG ARG A 83 20.136 1.363 1.362 1.00 0.00 C ATOM 1330 CD ARG A 83 21.546 1.156 0.836 1.00 0.00 C ATOM 1331 NE ARG A 83 21.556 0.772 -0.573 1.00 0.00 N ATOM 1332 CZ ARG A 83 22.665 0.513 -1.259 1.00 0.00 C ATOM 1333 NH1 ARG A 83 23.850 0.597 -0.667 1.00 0.00 N ATOM 1334 NH2 ARG A 83 22.590 0.171 -2.538 1.00 0.00 N ATOM 0 H ARG A 83 18.840 4.107 2.520 1.00 0.00 H new ATOM 0 HA ARG A 83 18.080 1.341 3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.841 2.591 2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.511 0.932 3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.562 0.445 1.239 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.636 2.133 0.774 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.119 2.074 0.965 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.043 0.385 1.425 1.00 0.00 H new ATOM 0 HE ARG A 83 20.662 0.698 -1.058 1.00 0.00 H new ATOM 0 HH11 ARG A 83 23.911 0.861 0.316 1.00 0.00 H new ATOM 0 HH12 ARG A 83 24.699 0.398 -1.195 1.00 0.00 H new ATOM 0 HH21 ARG A 83 21.681 0.107 -2.996 1.00 0.00 H new ATOM 0 HH22 ARG A 83 23.441 -0.028 -3.064 1.00 0.00 H new ATOM 1348 N GLY A 84 18.306 1.749 5.693 1.00 0.00 N ATOM 1349 CA GLY A 84 18.341 2.031 7.116 1.00 0.00 C ATOM 1350 C GLY A 84 17.003 1.787 7.780 1.00 0.00 C ATOM 1351 O GLY A 84 16.213 0.968 7.311 1.00 0.00 O ATOM 0 H GLY A 84 17.827 0.885 5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.099 1.407 7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.638 3.068 7.272 1.00 0.00 H new ATOM 1355 N HIS A 85 16.744 2.496 8.875 1.00 0.00 N ATOM 1356 CA HIS A 85 15.485 2.347 9.593 1.00 0.00 C ATOM 1357 C HIS A 85 14.322 2.829 8.741 1.00 0.00 C ATOM 1358 O HIS A 85 14.128 4.029 8.549 1.00 0.00 O ATOM 1359 CB HIS A 85 15.520 3.118 10.907 1.00 0.00 C ATOM 1360 CG HIS A 85 14.281 2.958 11.733 1.00 0.00 C ATOM 1361 ND1 HIS A 85 13.276 3.901 11.773 1.00 0.00 N ATOM 1362 CD2 HIS A 85 13.887 1.956 12.553 1.00 0.00 C ATOM 1363 CE1 HIS A 85 12.319 3.487 12.585 1.00 0.00 C ATOM 1364 NE2 HIS A 85 12.664 2.309 13.069 1.00 0.00 N ATOM 0 H HIS A 85 17.386 3.176 9.282 1.00 0.00 H new ATOM 0 HA HIS A 85 15.345 1.288 9.812 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.380 2.786 11.490 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.669 4.176 10.693 1.00 0.00 H new ATOM 0 HD2 HIS A 85 14.433 1.048 12.763 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.409 4.022 12.814 1.00 0.00 H new ATOM 0 HE2 HIS A 85 12.112 1.751 13.721 1.00 0.00 H new ATOM 1373 N HIS A 86 13.551 1.879 8.237 1.00 0.00 N ATOM 1374 CA HIS A 86 12.401 2.184 7.394 1.00 0.00 C ATOM 1375 C HIS A 86 11.215 1.301 7.764 1.00 0.00 C ATOM 1376 O HIS A 86 11.384 0.256 8.391 1.00 0.00 O ATOM 1377 CB HIS A 86 12.760 1.995 5.919 1.00 0.00 C ATOM 1378 CG HIS A 86 13.888 2.872 5.469 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.037 4.177 5.888 1.00 0.00 N ATOM 1380 CD2 HIS A 86 14.930 2.625 4.640 1.00 0.00 C ATOM 1381 CE1 HIS A 86 15.120 4.695 5.336 1.00 0.00 C ATOM 1382 NE2 HIS A 86 15.680 3.773 4.576 1.00 0.00 N ATOM 0 H HIS A 86 13.700 0.883 8.397 1.00 0.00 H new ATOM 0 HA HIS A 86 12.121 3.225 7.558 1.00 0.00 H new ATOM 0 HB2 HIS A 86 13.028 0.953 5.748 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.881 2.202 5.308 1.00 0.00 H new ATOM 0 HD1 HIS A 86 13.409 4.667 6.525 1.00 0.00 H new ATOM 0 HD2 HIS A 86 15.133 1.698 4.125 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.485 5.701 5.482 1.00 0.00 H new ATOM 1391 N THR A 87 10.017 1.724 7.374 1.00 0.00 N ATOM 1392 CA THR A 87 8.811 0.966 7.681 1.00 0.00 C ATOM 1393 C THR A 87 7.655 1.345 6.761 1.00 0.00 C ATOM 1394 O THR A 87 7.548 2.488 6.317 1.00 0.00 O ATOM 1395 CB THR A 87 8.375 1.188 9.139 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.428 0.806 10.032 1.00 0.00 O ATOM 1397 CG2 THR A 87 7.123 0.388 9.457 1.00 0.00 C ATOM 0 H THR A 87 9.856 2.583 6.848 1.00 0.00 H new ATOM 0 HA THR A 87 9.057 -0.085 7.527 1.00 0.00 H new ATOM 0 HB THR A 87 8.155 2.248 9.269 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.172 -0.010 10.510 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.834 0.561 10.494 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.314 0.701 8.797 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.322 -0.673 9.308 1.00 0.00 H new ATOM 1405 N LEU A 88 6.793 0.372 6.480 1.00 0.00 N ATOM 1406 CA LEU A 88 5.631 0.592 5.629 1.00 0.00 C ATOM 1407 C LEU A 88 4.358 0.534 6.465 1.00 0.00 C ATOM 1408 O LEU A 88 3.880 -0.545 6.812 1.00 0.00 O ATOM 1409 CB LEU A 88 5.573 -0.464 4.521 1.00 0.00 C ATOM 1410 CG LEU A 88 4.630 -0.171 3.340 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.736 -1.372 3.077 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.795 1.081 3.571 1.00 0.00 C ATOM 0 H LEU A 88 6.880 -0.581 6.832 1.00 0.00 H new ATOM 0 HA LEU A 88 5.716 1.577 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.580 -0.601 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.274 -1.412 4.969 1.00 0.00 H new ATOM 0 HG LEU A 88 5.247 0.015 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.072 -1.155 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.352 -2.239 2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.142 -1.585 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.145 1.248 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.187 0.953 4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.454 1.939 3.700 1.00 0.00 H new ATOM 1424 N GLU A 89 3.817 1.701 6.783 1.00 0.00 N ATOM 1425 CA GLU A 89 2.609 1.794 7.586 1.00 0.00 C ATOM 1426 C GLU A 89 1.348 1.529 6.772 1.00 0.00 C ATOM 1427 O GLU A 89 1.025 2.277 5.852 1.00 0.00 O ATOM 1428 CB GLU A 89 2.527 3.179 8.220 1.00 0.00 C ATOM 1429 CG GLU A 89 3.649 3.453 9.196 1.00 0.00 C ATOM 1430 CD GLU A 89 3.673 4.892 9.676 1.00 0.00 C ATOM 1431 OE1 GLU A 89 3.013 5.189 10.693 1.00 0.00 O ATOM 1432 OE2 GLU A 89 4.352 5.721 9.033 1.00 0.00 O ATOM 0 H GLU A 89 4.199 2.601 6.494 1.00 0.00 H new ATOM 0 HA GLU A 89 2.666 1.025 8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.545 3.933 7.434 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.572 3.280 8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.547 2.790 10.055 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.602 3.217 8.723 1.00 0.00 H new ATOM 1439 N LEU A 90 0.646 0.450 7.115 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.608 0.105 6.452 1.00 0.00 C ATOM 1441 C LEU A 90 -1.721 0.036 7.484 1.00 0.00 C ATOM 1442 O LEU A 90 -1.476 -0.271 8.651 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.504 -1.223 5.702 1.00 0.00 C ATOM 1444 CG LEU A 90 0.657 -1.320 4.714 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.540 -2.588 3.880 1.00 0.00 C ATOM 1446 CD2 LEU A 90 0.698 -0.095 3.817 1.00 0.00 C ATOM 0 H LEU A 90 0.926 -0.200 7.849 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.830 0.879 5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.409 -2.028 6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.436 -1.391 5.162 1.00 0.00 H new ATOM 0 HG LEU A 90 1.588 -1.363 5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.375 -2.642 3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.559 -3.458 4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.398 -2.573 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.532 -0.182 3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.235 -0.021 3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.827 0.799 4.427 1.00 0.00 H new ATOM 1458 N VAL A 91 -2.944 0.314 7.057 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.072 0.303 7.971 1.00 0.00 C ATOM 1460 C VAL A 91 -5.389 0.020 7.248 1.00 0.00 C ATOM 1461 O VAL A 91 -5.532 0.294 6.048 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.178 1.659 8.698 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.324 2.789 7.689 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.329 1.664 9.693 1.00 0.00 C ATOM 0 H VAL A 91 -3.178 0.548 6.092 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.897 -0.497 8.690 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.258 1.816 9.262 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.398 3.740 8.216 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.454 2.805 7.032 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.225 2.632 7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.377 2.633 10.189 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.265 1.479 9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.170 0.883 10.437 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.342 -0.539 7.992 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.668 -0.843 7.463 1.00 0.00 C ATOM 1476 C TYR A 92 -8.642 0.242 7.911 1.00 0.00 C ATOM 1477 O TYR A 92 -9.232 0.152 8.987 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.129 -2.217 7.958 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.254 -2.829 7.153 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.228 -2.822 5.764 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.340 -3.423 7.785 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.251 -3.390 5.027 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.365 -3.995 7.056 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.316 -3.975 5.678 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.335 -4.543 4.948 1.00 0.00 O ATOM 0 H TYR A 92 -6.217 -0.792 8.972 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.633 -0.868 6.374 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.278 -2.898 7.945 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.449 -2.126 8.996 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.395 -2.365 5.251 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.383 -3.438 8.864 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.216 -3.375 3.948 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.200 -4.455 7.563 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.007 -4.913 5.558 1.00 0.00 H new ATOM 1495 N THR A 93 -8.800 1.270 7.081 1.00 0.00 N ATOM 1496 CA THR A 93 -9.662 2.399 7.418 1.00 0.00 C ATOM 1497 C THR A 93 -10.696 2.699 6.346 1.00 0.00 C ATOM 1498 O THR A 93 -10.591 2.229 5.223 1.00 0.00 O ATOM 1499 CB THR A 93 -8.818 3.663 7.599 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.660 4.774 7.923 1.00 0.00 O ATOM 1501 CG2 THR A 93 -8.046 3.959 6.323 1.00 0.00 C ATOM 0 H THR A 93 -8.343 1.344 6.172 1.00 0.00 H new ATOM 0 HA THR A 93 -10.179 2.119 8.336 1.00 0.00 H new ATOM 0 HB THR A 93 -8.113 3.501 8.414 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.815 5.313 7.119 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.448 4.860 6.460 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.390 3.120 6.092 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.746 4.110 5.501 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.684 3.513 6.706 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.728 3.916 5.772 1.00 0.00 C ATOM 1511 C ARG A 94 -12.406 5.300 5.207 1.00 0.00 C ATOM 1512 O ARG A 94 -12.673 6.310 5.854 1.00 0.00 O ATOM 1513 CB ARG A 94 -14.091 3.946 6.465 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.477 2.629 7.117 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.867 2.696 7.728 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.890 3.002 6.731 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.184 3.117 7.012 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.614 2.952 8.256 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -19.050 3.399 6.048 1.00 0.00 N ATOM 0 H ARG A 94 -11.783 3.907 7.642 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.768 3.190 4.960 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.085 4.728 7.224 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.854 4.216 5.735 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.443 1.831 6.375 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.751 2.378 7.890 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.099 1.744 8.205 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.883 3.456 8.509 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.594 3.135 5.764 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.951 2.736 9.000 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.608 3.041 8.468 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.723 3.528 5.090 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.043 3.487 6.264 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.805 5.363 4.004 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.440 6.632 3.363 1.00 0.00 C ATOM 1535 C PRO A 95 -12.554 7.677 3.407 1.00 0.00 C ATOM 1536 O PRO A 95 -12.298 8.859 3.636 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.158 6.219 1.919 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.677 4.813 2.022 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.422 4.201 3.176 1.00 0.00 C ATOM 0 HA PRO A 95 -10.601 7.109 3.870 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.055 6.288 1.304 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.407 6.863 1.461 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.871 4.266 1.099 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.601 4.781 2.192 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.296 3.645 2.838 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.796 3.503 3.731 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.788 7.236 3.187 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.934 8.126 3.183 1.00 0.00 C ATOM 1549 C PHE A 96 -15.494 8.354 4.587 1.00 0.00 C ATOM 1550 O PHE A 96 -16.623 8.817 4.740 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.012 7.533 2.284 1.00 0.00 C ATOM 1552 CG PHE A 96 -15.621 7.475 0.834 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -14.839 6.435 0.356 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.035 8.459 -0.049 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -14.476 6.378 -0.976 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -15.675 8.406 -1.382 1.00 0.00 C ATOM 1557 CZ PHE A 96 -14.895 7.365 -1.847 1.00 0.00 C ATOM 0 H PHE A 96 -14.017 6.258 3.008 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.611 9.097 2.806 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.248 6.526 2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.922 8.125 2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.510 5.660 1.033 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -16.645 9.276 0.308 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -13.866 5.563 -1.336 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -16.004 9.179 -2.061 1.00 0.00 H new ATOM 0 HZ PHE A 96 -14.613 7.323 -2.889 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.700 8.039 5.608 1.00 0.00 N ATOM 1568 CA GLU A 97 -15.137 8.210 6.995 1.00 0.00 C ATOM 1569 C GLU A 97 -13.961 8.494 7.928 1.00 0.00 C ATOM 1570 O GLU A 97 -14.147 8.664 9.133 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.878 6.960 7.477 1.00 0.00 C ATOM 1572 CG GLU A 97 -17.257 6.785 6.862 1.00 0.00 C ATOM 1573 CD GLU A 97 -18.249 7.826 7.346 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.901 7.586 8.384 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.373 8.880 6.688 1.00 0.00 O ATOM 0 H GLU A 97 -13.756 7.666 5.504 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.808 9.069 7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -15.275 6.081 7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.978 7.004 8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.176 6.843 5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.634 5.791 7.101 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.754 8.546 7.373 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.578 8.804 8.188 1.00 0.00 C ATOM 1584 C GLY A 98 -11.025 7.541 8.813 1.00 0.00 C ATOM 1585 O GLY A 98 -11.554 6.452 8.598 1.00 0.00 O ATOM 0 H GLY A 98 -12.568 8.415 6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.808 9.270 7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.832 9.515 8.974 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.960 7.690 9.593 1.00 0.00 N ATOM 1590 CA ILE A 99 -9.324 6.552 10.238 1.00 0.00 C ATOM 1591 C ILE A 99 -9.569 6.537 11.743 1.00 0.00 C ATOM 1592 O ILE A 99 -9.759 7.581 12.366 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.810 6.553 9.973 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.530 6.986 8.530 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -7.230 5.171 10.250 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -6.066 7.253 8.243 1.00 0.00 C ATOM 0 H ILE A 99 -9.520 8.589 9.793 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.772 5.656 9.808 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.329 7.266 10.643 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.888 6.211 7.852 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.103 7.888 8.314 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.157 5.182 10.059 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.411 4.902 11.291 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.707 4.439 9.598 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.948 7.554 7.202 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.707 8.050 8.894 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.488 6.347 8.426 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.565 5.336 12.316 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.784 5.159 13.745 1.00 0.00 C ATOM 1610 C LYS A 100 -8.677 4.305 14.361 1.00 0.00 C ATOM 1611 O LYS A 100 -7.903 3.670 13.643 1.00 0.00 O ATOM 1612 CB LYS A 100 -11.142 4.501 13.985 1.00 0.00 C ATOM 1613 CG LYS A 100 -12.295 5.215 13.299 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.612 4.493 13.529 1.00 0.00 C ATOM 1615 CE LYS A 100 -14.308 4.176 12.216 1.00 0.00 C ATOM 1616 NZ LYS A 100 -15.603 3.473 12.428 1.00 0.00 N ATOM 0 H LYS A 100 -9.411 4.466 11.806 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.768 6.140 14.220 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.104 3.470 13.634 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.334 4.465 15.057 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -12.368 6.236 13.675 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -12.098 5.283 12.229 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.431 3.569 14.079 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -14.263 5.110 14.148 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -14.483 5.101 11.666 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.656 3.557 11.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.045 3.275 11.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -15.434 2.578 12.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -16.236 4.074 12.994 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.588 4.279 15.703 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.578 3.496 16.417 1.00 0.00 C ATOM 1632 C PRO A 101 -7.881 2.003 16.386 1.00 0.00 C ATOM 1633 O PRO A 101 -6.982 1.179 16.216 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.650 4.022 17.860 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.582 5.189 17.832 1.00 0.00 C ATOM 1636 CD PRO A 101 -9.460 5.005 16.629 1.00 0.00 C ATOM 0 HA PRO A 101 -6.593 3.604 15.964 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.013 3.250 18.538 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.664 4.320 18.215 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.178 5.232 18.744 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.029 6.126 17.769 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.360 4.438 16.867 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.785 5.959 16.215 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.156 1.661 16.552 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.586 0.267 16.546 1.00 0.00 C ATOM 1646 C GLU A 102 -9.299 -0.393 15.201 1.00 0.00 C ATOM 1647 O GLU A 102 -9.161 -1.613 15.116 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.073 0.172 16.866 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.919 1.063 15.986 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.397 0.979 16.311 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.089 0.127 15.717 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -13.864 1.769 17.159 1.00 0.00 O ATOM 0 H GLU A 102 -9.911 2.333 16.693 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.020 -0.262 17.313 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.400 -0.861 16.750 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.233 0.442 17.910 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.586 2.095 16.095 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.765 0.787 14.943 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.218 0.423 14.153 1.00 0.00 N ATOM 1660 CA ASN A 103 -8.945 -0.076 12.807 1.00 0.00 C ATOM 1661 C ASN A 103 -7.740 -1.015 12.797 1.00 0.00 C ATOM 1662 O ASN A 103 -6.814 -0.861 13.595 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.703 1.094 11.853 1.00 0.00 C ATOM 1664 CG ASN A 103 -9.980 1.835 11.503 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -10.990 1.722 12.360 1.00 0.00 O flip ATOM 1666 ND2 ASN A 103 -10.062 2.497 10.470 1.00 0.00 N flip ATOM 0 H ASN A 103 -9.338 1.434 14.210 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.816 -0.640 12.474 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.997 1.789 12.308 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.240 0.723 10.939 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.263 2.558 9.839 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.929 2.985 10.244 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.761 -1.988 11.889 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.683 -2.953 11.769 1.00 0.00 C ATOM 1675 C GLU A 104 -5.364 -2.274 11.412 1.00 0.00 C ATOM 1676 O GLU A 104 -5.342 -1.114 11.003 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.043 -3.994 10.719 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.570 -5.285 11.315 1.00 0.00 C ATOM 1679 CD GLU A 104 -9.001 -5.163 11.800 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -9.200 -4.802 12.979 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -9.924 -5.427 11.001 1.00 0.00 O ATOM 0 H GLU A 104 -8.521 -2.125 11.223 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.551 -3.441 12.735 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.794 -3.578 10.047 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.162 -4.213 10.116 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.510 -6.077 10.568 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.933 -5.583 12.147 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.269 -3.014 11.558 1.00 0.00 N ATOM 1689 CA ARG A 105 -2.938 -2.486 11.276 1.00 0.00 C ATOM 1690 C ARG A 105 -2.107 -3.476 10.460 1.00 0.00 C ATOM 1691 O ARG A 105 -2.463 -4.646 10.339 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.220 -2.180 12.601 1.00 0.00 C ATOM 1693 CG ARG A 105 -0.801 -1.655 12.442 1.00 0.00 C ATOM 1694 CD ARG A 105 -0.788 -0.141 12.371 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.213 0.457 13.632 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.242 1.767 13.857 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -0.871 2.615 12.907 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -1.643 2.230 15.033 1.00 0.00 N ATOM 0 H ARG A 105 -4.278 -3.985 11.871 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.049 -1.574 10.690 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.805 -1.447 13.156 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.193 -3.088 13.203 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.190 -1.989 13.280 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.355 -2.069 11.538 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.216 0.204 12.124 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.446 0.192 11.569 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.505 -0.166 14.385 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.562 2.263 12.001 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -0.894 3.620 13.083 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -1.930 1.581 15.766 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.665 3.235 15.205 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.026 -2.972 9.870 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.089 -3.787 9.105 1.00 0.00 C ATOM 1714 C TYR A 106 1.124 -2.941 8.732 1.00 0.00 C ATOM 1715 O TYR A 106 1.220 -2.413 7.626 1.00 0.00 O ATOM 1716 CB TYR A 106 -0.749 -4.385 7.859 1.00 0.00 C ATOM 1717 CG TYR A 106 0.086 -5.441 7.177 1.00 0.00 C ATOM 1718 CD1 TYR A 106 1.123 -5.099 6.319 1.00 0.00 C ATOM 1719 CD2 TYR A 106 -0.169 -6.785 7.394 1.00 0.00 C ATOM 1720 CE1 TYR A 106 1.882 -6.072 5.698 1.00 0.00 C ATOM 1721 CE2 TYR A 106 0.582 -7.763 6.779 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.607 -7.403 5.932 1.00 0.00 C ATOM 1723 OH TYR A 106 2.360 -8.376 5.315 1.00 0.00 O ATOM 0 H TYR A 106 -0.775 -1.984 9.910 1.00 0.00 H new ATOM 0 HA TYR A 106 0.233 -4.625 9.723 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.709 -4.819 8.140 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.957 -3.584 7.149 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.339 -4.057 6.135 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.971 -7.072 8.058 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.686 -5.792 5.033 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.368 -8.806 6.960 1.00 0.00 H new ATOM 0 HH TYR A 106 2.038 -9.261 5.587 1.00 0.00 H new ATOM 1733 N THR A 107 2.041 -2.798 9.682 1.00 0.00 N ATOM 1734 CA THR A 107 3.240 -1.997 9.474 1.00 0.00 C ATOM 1735 C THR A 107 4.434 -2.862 9.084 1.00 0.00 C ATOM 1736 O THR A 107 5.138 -3.387 9.946 1.00 0.00 O ATOM 1737 CB THR A 107 3.592 -1.196 10.741 1.00 0.00 C ATOM 1738 OG1 THR A 107 2.488 -1.220 11.655 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.931 0.244 10.399 1.00 0.00 C ATOM 0 H THR A 107 1.976 -3.227 10.605 1.00 0.00 H new ATOM 0 HA THR A 107 3.023 -1.310 8.656 1.00 0.00 H new ATOM 0 HB THR A 107 4.464 -1.659 11.203 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.718 -0.710 12.460 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.176 0.787 11.312 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.786 0.266 9.724 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.075 0.714 9.916 1.00 0.00 H new ATOM 1747 N LEU A 108 4.658 -3.009 7.781 1.00 0.00 N ATOM 1748 CA LEU A 108 5.774 -3.807 7.289 1.00 0.00 C ATOM 1749 C LEU A 108 7.102 -3.152 7.649 1.00 0.00 C ATOM 1750 O LEU A 108 7.693 -2.437 6.840 1.00 0.00 O ATOM 1751 CB LEU A 108 5.682 -3.990 5.773 1.00 0.00 C ATOM 1752 CG LEU A 108 6.739 -4.913 5.164 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.590 -6.327 5.705 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.638 -4.908 3.647 1.00 0.00 C ATOM 0 H LEU A 108 4.084 -2.588 7.051 1.00 0.00 H new ATOM 0 HA LEU A 108 5.722 -4.786 7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.695 -4.384 5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.761 -3.011 5.299 1.00 0.00 H new ATOM 0 HG LEU A 108 7.724 -4.541 5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.351 -6.969 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.712 -6.317 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.601 -6.710 5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.397 -5.570 3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.649 -5.255 3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.795 -3.896 3.275 1.00 0.00 H new ATOM 1766 N HIS A 109 7.561 -3.393 8.870 1.00 0.00 N ATOM 1767 CA HIS A 109 8.819 -2.827 9.335 1.00 0.00 C ATOM 1768 C HIS A 109 9.995 -3.470 8.618 1.00 0.00 C ATOM 1769 O HIS A 109 10.055 -4.689 8.459 1.00 0.00 O ATOM 1770 CB HIS A 109 8.949 -2.987 10.843 1.00 0.00 C ATOM 1771 CG HIS A 109 8.260 -1.910 11.619 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.911 -0.788 12.091 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.967 -1.779 11.999 1.00 0.00 C ATOM 1774 CE1 HIS A 109 8.048 -0.015 12.725 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.862 -0.593 12.684 1.00 0.00 N ATOM 0 H HIS A 109 7.081 -3.976 9.555 1.00 0.00 H new ATOM 0 HA HIS A 109 8.825 -1.762 9.103 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.538 -3.954 11.135 1.00 0.00 H new ATOM 0 HB3 HIS A 109 10.006 -2.997 11.110 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.167 -2.477 11.800 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.274 0.930 13.197 1.00 0.00 H new ATOM 0 HE2 HIS A 109 6.006 -0.219 13.094 1.00 0.00 H new ATOM 1784 N LEU A 110 10.939 -2.633 8.207 1.00 0.00 N ATOM 1785 CA LEU A 110 12.108 -3.087 7.469 1.00 0.00 C ATOM 1786 C LEU A 110 13.355 -2.301 7.860 1.00 0.00 C ATOM 1787 O LEU A 110 13.480 -1.119 7.536 1.00 0.00 O ATOM 1788 CB LEU A 110 11.867 -2.926 5.964 1.00 0.00 C ATOM 1789 CG LEU A 110 10.696 -3.735 5.398 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.499 -3.422 3.922 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.918 -5.226 5.600 1.00 0.00 C ATOM 0 H LEU A 110 10.916 -1.627 8.375 1.00 0.00 H new ATOM 0 HA LEU A 110 12.269 -4.137 7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.695 -1.871 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.775 -3.214 5.435 1.00 0.00 H new ATOM 0 HG LEU A 110 9.793 -3.450 5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.663 -4.005 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.288 -2.360 3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.405 -3.677 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.073 -5.779 5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.832 -5.530 5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.008 -5.439 6.665 1.00 0.00 H new ATOM 1803 N ASN A 111 14.274 -2.959 8.555 1.00 0.00 N ATOM 1804 CA ASN A 111 15.521 -2.325 8.954 1.00 0.00 C ATOM 1805 C ASN A 111 16.515 -2.449 7.809 1.00 0.00 C ATOM 1806 O ASN A 111 17.627 -2.952 7.979 1.00 0.00 O ATOM 1807 CB ASN A 111 16.073 -2.976 10.222 1.00 0.00 C ATOM 1808 CG ASN A 111 17.286 -2.248 10.768 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.419 -1.034 10.611 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.180 -2.988 11.412 1.00 0.00 N ATOM 0 H ASN A 111 14.178 -3.930 8.853 1.00 0.00 H new ATOM 0 HA ASN A 111 15.345 -1.272 9.174 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.294 -2.999 10.984 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.340 -4.011 10.008 1.00 0.00 H new ATOM 0 HD21 ASN A 111 19.017 -2.554 11.800 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.030 -3.991 11.519 1.00 0.00 H new ATOM 1817 N VAL A 112 16.077 -1.989 6.639 1.00 0.00 N ATOM 1818 CA VAL A 112 16.871 -2.045 5.418 1.00 0.00 C ATOM 1819 C VAL A 112 18.356 -1.825 5.695 1.00 0.00 C ATOM 1820 O VAL A 112 18.730 -0.937 6.461 1.00 0.00 O ATOM 1821 CB VAL A 112 16.392 -0.993 4.398 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.790 -1.396 2.991 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.886 -0.790 4.494 1.00 0.00 C ATOM 0 H VAL A 112 15.158 -1.566 6.513 1.00 0.00 H new ATOM 0 HA VAL A 112 16.735 -3.045 5.005 1.00 0.00 H new ATOM 0 HB VAL A 112 16.876 -0.045 4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.443 -0.642 2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.875 -1.479 2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.338 -2.357 2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.572 -0.043 3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.378 -1.733 4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.628 -0.449 5.497 1.00 0.00 H new ATOM 1833 N LYS A 113 19.197 -2.642 5.068 1.00 0.00 N ATOM 1834 CA LYS A 113 20.639 -2.543 5.246 1.00 0.00 C ATOM 1835 C LYS A 113 21.207 -1.371 4.453 1.00 0.00 C ATOM 1836 O LYS A 113 21.380 -0.285 5.045 1.00 0.00 O ATOM 1837 CB LYS A 113 21.316 -3.845 4.813 1.00 0.00 C ATOM 1838 CG LYS A 113 20.870 -5.068 5.604 1.00 0.00 C ATOM 1839 CD LYS A 113 21.688 -5.254 6.875 1.00 0.00 C ATOM 1840 CE LYS A 113 21.251 -4.303 7.979 1.00 0.00 C ATOM 1841 NZ LYS A 113 21.997 -4.541 9.245 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.473 -1.547 3.245 1.00 0.00 O ATOM 0 H LYS A 113 18.902 -3.382 4.431 1.00 0.00 H new ATOM 0 HA LYS A 113 20.839 -2.371 6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 113 21.112 -4.015 3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.395 -3.733 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.816 -4.968 5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.962 -5.957 4.980 1.00 0.00 H new ATOM 0 HD2 LYS A 113 21.589 -6.282 7.222 1.00 0.00 H new ATOM 0 HD3 LYS A 113 22.743 -5.092 6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 113 21.406 -3.274 7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 113 20.183 -4.423 8.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 21.670 -3.873 9.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 21.829 -5.515 9.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 23.014 -4.402 9.080 1.00 0.00 H new