USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= 1.23 (180deg=0.692) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.046 K(o=-0.046,f=-0.79) USER MOD Single : A 24 SER OG : rot 150:sc= 0 USER MOD Single : A 27 SER OG : rot -13:sc= -5.3! USER MOD Single : A 37 GLN : amide:sc= -0.151 K(o=-0.15,f=-2.5!) USER MOD Single : A 38 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 138:sc= -1.14 USER MOD Single : A 63 GLN : amide:sc= -0.714 K(o=-0.71,f=-1.5) USER MOD Single : A 65 MET CE :methyl 144:sc= -0.489 (180deg=-3.72!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0578 USER MOD Single : A 67 GLN : amide:sc= -0.0234 K(o=-0.023,f=-1.6!) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.937 F(o=-5.1!,f=-0.94) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -6:sc= -8.74! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.919 K(o=-0.92,f=-2.7) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 15 -3.624 7.937 -5.756 1.00 0.00 N ATOM 168 CA GLY A 15 -3.592 8.125 -4.317 1.00 0.00 C ATOM 169 C GLY A 15 -3.774 6.825 -3.558 1.00 0.00 C ATOM 170 O GLY A 15 -4.551 6.756 -2.606 1.00 0.00 O ATOM 0 HA2 GLY A 15 -2.642 8.577 -4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.377 8.824 -4.027 1.00 0.00 H new ATOM 174 N LYS A 16 -3.056 5.790 -3.981 1.00 0.00 N ATOM 175 CA LYS A 16 -3.141 4.485 -3.336 1.00 0.00 C ATOM 176 C LYS A 16 -1.772 4.034 -2.838 1.00 0.00 C ATOM 177 O LYS A 16 -0.840 3.857 -3.624 1.00 0.00 O ATOM 178 CB LYS A 16 -3.708 3.449 -4.308 1.00 0.00 C ATOM 179 CG LYS A 16 -4.721 4.021 -5.285 1.00 0.00 C ATOM 180 CD LYS A 16 -4.742 3.240 -6.588 1.00 0.00 C ATOM 181 CE LYS A 16 -5.610 3.923 -7.634 1.00 0.00 C ATOM 182 NZ LYS A 16 -5.119 3.666 -9.016 1.00 0.00 N ATOM 0 H LYS A 16 -2.408 5.830 -4.768 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.809 4.574 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.887 3.002 -4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.178 2.648 -3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.713 4.004 -4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.482 5.065 -5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.726 3.137 -6.968 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.117 2.233 -6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.637 3.569 -7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.626 4.997 -7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.356 4.475 -9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.087 3.536 -8.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.570 2.807 -9.391 1.00 0.00 H new ATOM 196 N THR A 17 -1.656 3.848 -1.526 1.00 0.00 N ATOM 197 CA THR A 17 -0.401 3.418 -0.923 1.00 0.00 C ATOM 198 C THR A 17 -0.644 2.401 0.186 1.00 0.00 C ATOM 199 O THR A 17 -1.760 2.272 0.690 1.00 0.00 O ATOM 200 CB THR A 17 0.384 4.611 -0.347 1.00 0.00 C ATOM 201 OG1 THR A 17 0.832 5.461 -1.408 1.00 0.00 O ATOM 202 CG2 THR A 17 1.578 4.132 0.465 1.00 0.00 C ATOM 0 H THR A 17 -2.417 3.989 -0.861 1.00 0.00 H new ATOM 0 HA THR A 17 0.187 2.954 -1.715 1.00 0.00 H new ATOM 0 HB THR A 17 -0.281 5.171 0.310 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.329 6.218 -1.033 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.117 4.992 0.862 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.231 3.509 1.290 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.243 3.550 -0.174 1.00 0.00 H new ATOM 210 N VAL A 18 0.407 1.680 0.563 1.00 0.00 N ATOM 211 CA VAL A 18 0.308 0.675 1.614 1.00 0.00 C ATOM 212 C VAL A 18 1.674 0.382 2.225 1.00 0.00 C ATOM 213 O VAL A 18 2.588 -0.074 1.539 1.00 0.00 O ATOM 214 CB VAL A 18 -0.296 -0.638 1.081 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.561 -0.359 0.284 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.723 -1.387 0.235 1.00 0.00 C ATOM 0 H VAL A 18 1.337 1.774 0.156 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.350 1.084 2.381 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.562 -1.267 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.973 -1.298 -0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.293 0.133 0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.324 0.289 -0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.280 -2.312 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.022 -0.766 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.598 -1.620 0.841 1.00 0.00 H new ATOM 226 N PHE A 19 1.805 0.647 3.521 1.00 0.00 N ATOM 227 CA PHE A 19 3.060 0.413 4.226 1.00 0.00 C ATOM 228 C PHE A 19 2.908 -0.710 5.248 1.00 0.00 C ATOM 229 O PHE A 19 2.031 -0.664 6.110 1.00 0.00 O ATOM 230 CB PHE A 19 3.525 1.693 4.923 1.00 0.00 C ATOM 231 CG PHE A 19 4.731 1.496 5.796 1.00 0.00 C ATOM 232 CD1 PHE A 19 5.948 1.126 5.246 1.00 0.00 C ATOM 233 CD2 PHE A 19 4.648 1.680 7.167 1.00 0.00 C ATOM 234 CE1 PHE A 19 7.060 0.945 6.046 1.00 0.00 C ATOM 235 CE2 PHE A 19 5.757 1.500 7.972 1.00 0.00 C ATOM 236 CZ PHE A 19 6.964 1.130 7.411 1.00 0.00 C ATOM 0 H PHE A 19 1.058 1.024 4.104 1.00 0.00 H new ATOM 0 HA PHE A 19 3.809 0.115 3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.752 2.446 4.168 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.708 2.085 5.529 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.028 0.977 4.179 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.706 1.967 7.611 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.003 0.659 5.604 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.680 1.649 9.039 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.831 0.986 8.039 1.00 0.00 H new ATOM 246 N ILE A 20 3.769 -1.718 5.143 1.00 0.00 N ATOM 247 CA ILE A 20 3.731 -2.852 6.058 1.00 0.00 C ATOM 248 C ILE A 20 4.722 -2.669 7.202 1.00 0.00 C ATOM 249 O ILE A 20 5.838 -2.191 6.999 1.00 0.00 O ATOM 250 CB ILE A 20 4.043 -4.173 5.329 1.00 0.00 C ATOM 251 CG1 ILE A 20 3.261 -4.254 4.017 1.00 0.00 C ATOM 252 CG2 ILE A 20 3.715 -5.360 6.222 1.00 0.00 C ATOM 253 CD1 ILE A 20 3.981 -3.625 2.845 1.00 0.00 C ATOM 0 H ILE A 20 4.500 -1.772 4.434 1.00 0.00 H new ATOM 0 HA ILE A 20 2.720 -2.899 6.462 1.00 0.00 H new ATOM 0 HB ILE A 20 5.108 -4.201 5.097 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.057 -5.300 3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.297 -3.762 4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.941 -6.286 5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.313 -5.307 7.132 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.656 -5.339 6.481 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.368 -3.719 1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.161 -2.570 3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.933 -4.132 2.688 1.00 0.00 H new ATOM 265 N ARG A 21 4.307 -3.053 8.404 1.00 0.00 N ATOM 266 CA ARG A 21 5.158 -2.932 9.582 1.00 0.00 C ATOM 267 C ARG A 21 5.339 -4.285 10.263 1.00 0.00 C ATOM 268 O ARG A 21 4.476 -5.157 10.172 1.00 0.00 O ATOM 269 CB ARG A 21 4.560 -1.928 10.569 1.00 0.00 C ATOM 270 CG ARG A 21 4.998 -0.494 10.318 1.00 0.00 C ATOM 271 CD ARG A 21 4.115 0.496 11.063 1.00 0.00 C ATOM 272 NE ARG A 21 4.399 0.512 12.496 1.00 0.00 N ATOM 273 CZ ARG A 21 5.469 1.093 13.027 1.00 0.00 C ATOM 274 NH1 ARG A 21 6.351 1.704 12.248 1.00 0.00 N ATOM 275 NH2 ARG A 21 5.657 1.065 14.340 1.00 0.00 N ATOM 0 H ARG A 21 3.386 -3.451 8.588 1.00 0.00 H new ATOM 0 HA ARG A 21 6.135 -2.574 9.258 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.473 -1.982 10.515 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.844 -2.214 11.582 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.034 -0.368 10.633 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.962 -0.283 9.249 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.264 1.495 10.653 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.068 0.239 10.904 1.00 0.00 H new ATOM 0 HE ARG A 21 3.739 0.052 13.123 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.209 1.729 11.238 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.172 2.149 12.658 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.980 0.597 14.942 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.479 1.511 14.747 1.00 0.00 H new ATOM 289 N ASN A 22 6.468 -4.452 10.945 1.00 0.00 N ATOM 290 CA ASN A 22 6.763 -5.699 11.641 1.00 0.00 C ATOM 291 C ASN A 22 7.020 -6.829 10.648 1.00 0.00 C ATOM 292 O ASN A 22 6.506 -7.937 10.805 1.00 0.00 O ATOM 293 CB ASN A 22 5.606 -6.075 12.570 1.00 0.00 C ATOM 294 CG ASN A 22 6.043 -6.994 13.694 1.00 0.00 C ATOM 295 OD1 ASN A 22 7.122 -6.828 14.264 1.00 0.00 O ATOM 296 ND2 ASN A 22 5.204 -7.971 14.019 1.00 0.00 N ATOM 0 H ASN A 22 7.193 -3.740 11.030 1.00 0.00 H new ATOM 0 HA ASN A 22 7.664 -5.550 12.236 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.174 -5.168 12.993 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.822 -6.562 11.990 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.444 -8.621 14.768 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.320 -8.071 13.520 1.00 0.00 H new ATOM 303 N LEU A 23 7.818 -6.540 9.627 1.00 0.00 N ATOM 304 CA LEU A 23 8.145 -7.531 8.608 1.00 0.00 C ATOM 305 C LEU A 23 9.109 -8.579 9.156 1.00 0.00 C ATOM 306 O LEU A 23 9.831 -8.328 10.121 1.00 0.00 O ATOM 307 CB LEU A 23 8.758 -6.850 7.383 1.00 0.00 C ATOM 308 CG LEU A 23 7.771 -6.217 6.402 1.00 0.00 C ATOM 309 CD1 LEU A 23 8.512 -5.453 5.317 1.00 0.00 C ATOM 310 CD2 LEU A 23 6.872 -7.281 5.789 1.00 0.00 C ATOM 0 H LEU A 23 8.251 -5.628 9.482 1.00 0.00 H new ATOM 0 HA LEU A 23 7.222 -8.031 8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.443 -6.076 7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.354 -7.586 6.843 1.00 0.00 H new ATOM 0 HG LEU A 23 7.145 -5.513 6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.793 -5.010 4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.112 -4.665 5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.163 -6.136 4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.176 -6.812 5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.482 -8.010 5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.313 -7.784 6.578 1.00 0.00 H new ATOM 322 N SER A 24 9.115 -9.754 8.533 1.00 0.00 N ATOM 323 CA SER A 24 9.988 -10.840 8.960 1.00 0.00 C ATOM 324 C SER A 24 11.217 -10.935 8.060 1.00 0.00 C ATOM 325 O SER A 24 11.120 -10.794 6.841 1.00 0.00 O ATOM 326 CB SER A 24 9.229 -12.168 8.947 1.00 0.00 C ATOM 327 OG SER A 24 10.093 -13.253 9.238 1.00 0.00 O ATOM 0 H SER A 24 8.525 -9.977 7.731 1.00 0.00 H new ATOM 0 HA SER A 24 10.319 -10.629 9.977 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.422 -12.136 9.678 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.769 -12.318 7.970 1.00 0.00 H new ATOM 0 HG SER A 24 9.587 -13.963 9.686 1.00 0.00 H new ATOM 333 N PHE A 25 12.372 -11.176 8.670 1.00 0.00 N ATOM 334 CA PHE A 25 13.621 -11.290 7.926 1.00 0.00 C ATOM 335 C PHE A 25 13.483 -12.289 6.780 1.00 0.00 C ATOM 336 O PHE A 25 14.160 -12.175 5.758 1.00 0.00 O ATOM 337 CB PHE A 25 14.757 -11.718 8.856 1.00 0.00 C ATOM 338 CG PHE A 25 15.030 -10.737 9.960 1.00 0.00 C ATOM 339 CD1 PHE A 25 15.484 -9.459 9.673 1.00 0.00 C ATOM 340 CD2 PHE A 25 14.832 -11.091 11.285 1.00 0.00 C ATOM 341 CE1 PHE A 25 15.736 -8.555 10.687 1.00 0.00 C ATOM 342 CE2 PHE A 25 15.083 -10.191 12.303 1.00 0.00 C ATOM 343 CZ PHE A 25 15.534 -8.921 12.004 1.00 0.00 C ATOM 0 H PHE A 25 12.469 -11.296 9.678 1.00 0.00 H new ATOM 0 HA PHE A 25 13.854 -10.312 7.506 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.513 -12.686 9.293 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.665 -11.854 8.269 1.00 0.00 H new ATOM 0 HD1 PHE A 25 15.642 -9.167 8.645 1.00 0.00 H new ATOM 0 HD2 PHE A 25 14.477 -12.082 11.525 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.091 -7.563 10.450 1.00 0.00 H new ATOM 0 HE2 PHE A 25 14.927 -10.481 13.332 1.00 0.00 H new ATOM 0 HZ PHE A 25 15.729 -8.215 12.798 1.00 0.00 H new ATOM 353 N ASP A 26 12.602 -13.267 6.960 1.00 0.00 N ATOM 354 CA ASP A 26 12.373 -14.286 5.942 1.00 0.00 C ATOM 355 C ASP A 26 11.613 -13.706 4.754 1.00 0.00 C ATOM 356 O ASP A 26 11.828 -14.109 3.610 1.00 0.00 O ATOM 357 CB ASP A 26 11.598 -15.463 6.535 1.00 0.00 C ATOM 358 CG ASP A 26 12.396 -16.214 7.582 1.00 0.00 C ATOM 359 OD1 ASP A 26 13.553 -16.584 7.294 1.00 0.00 O ATOM 360 OD2 ASP A 26 11.863 -16.433 8.691 1.00 0.00 O ATOM 0 H ASP A 26 12.035 -13.376 7.801 1.00 0.00 H new ATOM 0 HA ASP A 26 13.343 -14.639 5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.673 -15.097 6.981 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.317 -16.149 5.736 1.00 0.00 H new ATOM 365 N SER A 27 10.722 -12.760 5.032 1.00 0.00 N ATOM 366 CA SER A 27 9.926 -12.128 3.986 1.00 0.00 C ATOM 367 C SER A 27 10.811 -11.671 2.831 1.00 0.00 C ATOM 368 O SER A 27 12.008 -11.443 3.005 1.00 0.00 O ATOM 369 CB SER A 27 9.153 -10.937 4.554 1.00 0.00 C ATOM 370 OG SER A 27 8.341 -11.330 5.648 1.00 0.00 O ATOM 0 H SER A 27 10.533 -12.414 5.973 1.00 0.00 H new ATOM 0 HA SER A 27 9.217 -12.865 3.608 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.853 -10.165 4.875 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.530 -10.498 3.774 1.00 0.00 H new ATOM 0 HG SER A 27 8.284 -12.308 5.679 1.00 0.00 H new ATOM 376 N GLU A 28 10.212 -11.539 1.651 1.00 0.00 N ATOM 377 CA GLU A 28 10.946 -11.109 0.467 1.00 0.00 C ATOM 378 C GLU A 28 10.039 -10.335 -0.485 1.00 0.00 C ATOM 379 O GLU A 28 8.877 -10.692 -0.677 1.00 0.00 O ATOM 380 CB GLU A 28 11.547 -12.318 -0.254 1.00 0.00 C ATOM 381 CG GLU A 28 12.375 -13.216 0.650 1.00 0.00 C ATOM 382 CD GLU A 28 13.224 -14.203 -0.127 1.00 0.00 C ATOM 383 OE1 GLU A 28 14.114 -13.756 -0.881 1.00 0.00 O ATOM 384 OE2 GLU A 28 12.998 -15.422 0.018 1.00 0.00 O ATOM 0 H GLU A 28 9.222 -11.724 1.490 1.00 0.00 H new ATOM 0 HA GLU A 28 11.751 -10.449 0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.741 -12.905 -0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.172 -11.967 -1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.021 -12.600 1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.711 -13.762 1.320 1.00 0.00 H new ATOM 391 N GLU A 29 10.579 -9.274 -1.076 1.00 0.00 N ATOM 392 CA GLU A 29 9.817 -8.449 -2.006 1.00 0.00 C ATOM 393 C GLU A 29 8.908 -9.310 -2.879 1.00 0.00 C ATOM 394 O GLU A 29 7.765 -8.945 -3.151 1.00 0.00 O ATOM 395 CB GLU A 29 10.762 -7.630 -2.888 1.00 0.00 C ATOM 396 CG GLU A 29 10.154 -6.330 -3.388 1.00 0.00 C ATOM 397 CD GLU A 29 11.163 -5.451 -4.102 1.00 0.00 C ATOM 398 OE1 GLU A 29 12.095 -4.955 -3.435 1.00 0.00 O ATOM 399 OE2 GLU A 29 11.020 -5.260 -5.328 1.00 0.00 O ATOM 0 H GLU A 29 11.540 -8.966 -0.928 1.00 0.00 H new ATOM 0 HA GLU A 29 9.195 -7.770 -1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.668 -7.405 -2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.061 -8.234 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.330 -6.555 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.733 -5.782 -2.545 1.00 0.00 H new ATOM 406 N GLU A 30 9.426 -10.454 -3.314 1.00 0.00 N ATOM 407 CA GLU A 30 8.662 -11.366 -4.157 1.00 0.00 C ATOM 408 C GLU A 30 7.450 -11.912 -3.408 1.00 0.00 C ATOM 409 O GLU A 30 6.337 -11.926 -3.934 1.00 0.00 O ATOM 410 CB GLU A 30 9.547 -12.522 -4.628 1.00 0.00 C ATOM 411 CG GLU A 30 10.624 -12.911 -3.630 1.00 0.00 C ATOM 412 CD GLU A 30 11.079 -14.348 -3.792 1.00 0.00 C ATOM 413 OE1 GLU A 30 10.437 -15.244 -3.204 1.00 0.00 O ATOM 414 OE2 GLU A 30 12.076 -14.578 -4.507 1.00 0.00 O ATOM 0 H GLU A 30 10.371 -10.771 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 30 8.311 -10.809 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.919 -13.390 -4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.020 -12.246 -5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.480 -12.247 -3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.246 -12.766 -2.618 1.00 0.00 H new ATOM 421 N ALA A 31 7.674 -12.361 -2.178 1.00 0.00 N ATOM 422 CA ALA A 31 6.601 -12.907 -1.356 1.00 0.00 C ATOM 423 C ALA A 31 5.635 -11.811 -0.916 1.00 0.00 C ATOM 424 O ALA A 31 4.434 -11.887 -1.178 1.00 0.00 O ATOM 425 CB ALA A 31 7.177 -13.623 -0.143 1.00 0.00 C ATOM 0 H ALA A 31 8.589 -12.358 -1.728 1.00 0.00 H new ATOM 0 HA ALA A 31 6.045 -13.626 -1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.364 -14.026 0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.821 -14.438 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.758 -12.919 0.453 1.00 0.00 H new ATOM 431 N LEU A 32 6.167 -10.794 -0.247 1.00 0.00 N ATOM 432 CA LEU A 32 5.351 -9.683 0.230 1.00 0.00 C ATOM 433 C LEU A 32 4.302 -9.293 -0.807 1.00 0.00 C ATOM 434 O LEU A 32 3.105 -9.284 -0.520 1.00 0.00 O ATOM 435 CB LEU A 32 6.236 -8.478 0.554 1.00 0.00 C ATOM 436 CG LEU A 32 5.582 -7.367 1.376 1.00 0.00 C ATOM 437 CD1 LEU A 32 6.591 -6.275 1.696 1.00 0.00 C ATOM 438 CD2 LEU A 32 4.384 -6.789 0.635 1.00 0.00 C ATOM 0 H LEU A 32 7.159 -10.716 -0.023 1.00 0.00 H new ATOM 0 HA LEU A 32 4.838 -10.004 1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.115 -8.832 1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.589 -8.049 -0.384 1.00 0.00 H new ATOM 0 HG LEU A 32 5.231 -7.795 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.107 -5.493 2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.416 -6.699 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.973 -5.850 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.931 -6.000 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.711 -6.377 -0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.651 -7.576 0.458 1.00 0.00 H new ATOM 450 N GLY A 33 4.759 -8.975 -2.014 1.00 0.00 N ATOM 451 CA GLY A 33 3.847 -8.591 -3.075 1.00 0.00 C ATOM 452 C GLY A 33 2.862 -9.691 -3.419 1.00 0.00 C ATOM 453 O GLY A 33 1.670 -9.435 -3.584 1.00 0.00 O ATOM 0 H GLY A 33 5.745 -8.976 -2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.299 -7.698 -2.774 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.419 -8.329 -3.965 1.00 0.00 H new ATOM 457 N GLU A 34 3.361 -10.918 -3.528 1.00 0.00 N ATOM 458 CA GLU A 34 2.516 -12.060 -3.856 1.00 0.00 C ATOM 459 C GLU A 34 1.371 -12.195 -2.856 1.00 0.00 C ATOM 460 O GLU A 34 0.379 -12.874 -3.119 1.00 0.00 O ATOM 461 CB GLU A 34 3.344 -13.346 -3.877 1.00 0.00 C ATOM 462 CG GLU A 34 3.998 -13.627 -5.220 1.00 0.00 C ATOM 463 CD GLU A 34 2.989 -13.954 -6.304 1.00 0.00 C ATOM 464 OE1 GLU A 34 2.240 -14.940 -6.140 1.00 0.00 O ATOM 465 OE2 GLU A 34 2.949 -13.224 -7.316 1.00 0.00 O ATOM 0 H GLU A 34 4.346 -11.147 -3.394 1.00 0.00 H new ATOM 0 HA GLU A 34 2.092 -11.893 -4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.118 -13.283 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.702 -14.186 -3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.583 -12.759 -5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.694 -14.459 -5.114 1.00 0.00 H new ATOM 472 N VAL A 35 1.517 -11.543 -1.707 1.00 0.00 N ATOM 473 CA VAL A 35 0.496 -11.589 -0.667 1.00 0.00 C ATOM 474 C VAL A 35 -0.522 -10.469 -0.846 1.00 0.00 C ATOM 475 O VAL A 35 -1.723 -10.670 -0.659 1.00 0.00 O ATOM 476 CB VAL A 35 1.121 -11.481 0.737 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.035 -11.403 1.800 1.00 0.00 C ATOM 478 CG2 VAL A 35 2.050 -12.657 0.999 1.00 0.00 C ATOM 0 H VAL A 35 2.332 -10.977 -1.473 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.008 -12.551 -0.760 1.00 0.00 H new ATOM 0 HB VAL A 35 1.710 -10.565 0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.495 -11.327 2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.587 -10.526 1.621 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.582 -12.300 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.482 -12.564 1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.486 -13.588 0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.848 -12.663 0.256 1.00 0.00 H new ATOM 488 N LEU A 36 -0.035 -9.287 -1.209 1.00 0.00 N ATOM 489 CA LEU A 36 -0.903 -8.133 -1.415 1.00 0.00 C ATOM 490 C LEU A 36 -1.488 -8.135 -2.824 1.00 0.00 C ATOM 491 O LEU A 36 -2.384 -7.351 -3.135 1.00 0.00 O ATOM 492 CB LEU A 36 -0.126 -6.837 -1.176 1.00 0.00 C ATOM 493 CG LEU A 36 0.681 -6.768 0.121 1.00 0.00 C ATOM 494 CD1 LEU A 36 1.507 -5.492 0.169 1.00 0.00 C ATOM 495 CD2 LEU A 36 -0.241 -6.855 1.329 1.00 0.00 C ATOM 0 H LEU A 36 0.956 -9.103 -1.367 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.724 -8.195 -0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.556 -6.686 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.832 -6.007 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 36 1.362 -7.618 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.074 -5.461 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.195 -5.472 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.845 -4.628 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.351 -6.804 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.948 -6.025 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.787 -7.798 1.303 1.00 0.00 H new ATOM 507 N GLN A 37 -0.977 -9.024 -3.670 1.00 0.00 N ATOM 508 CA GLN A 37 -1.450 -9.129 -5.045 1.00 0.00 C ATOM 509 C GLN A 37 -2.846 -9.743 -5.094 1.00 0.00 C ATOM 510 O GLN A 37 -3.650 -9.408 -5.963 1.00 0.00 O ATOM 511 CB GLN A 37 -0.481 -9.969 -5.877 1.00 0.00 C ATOM 512 CG GLN A 37 0.663 -9.165 -6.474 1.00 0.00 C ATOM 513 CD GLN A 37 1.179 -9.758 -7.771 1.00 0.00 C ATOM 514 OE1 GLN A 37 0.528 -10.605 -8.382 1.00 0.00 O ATOM 515 NE2 GLN A 37 2.355 -9.314 -8.198 1.00 0.00 N ATOM 0 H GLN A 37 -0.236 -9.681 -3.427 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.500 -8.124 -5.464 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.070 -10.761 -5.251 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.033 -10.454 -6.683 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.329 -8.143 -6.654 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.479 -9.111 -5.753 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.861 -8.611 -7.659 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.753 -9.676 -9.065 1.00 0.00 H new ATOM 524 N GLN A 38 -3.124 -10.643 -4.157 1.00 0.00 N ATOM 525 CA GLN A 38 -4.423 -11.304 -4.096 1.00 0.00 C ATOM 526 C GLN A 38 -5.556 -10.286 -4.166 1.00 0.00 C ATOM 527 O GLN A 38 -6.476 -10.420 -4.973 1.00 0.00 O ATOM 528 CB GLN A 38 -4.539 -12.127 -2.812 1.00 0.00 C ATOM 529 CG GLN A 38 -4.615 -11.281 -1.551 1.00 0.00 C ATOM 530 CD GLN A 38 -4.549 -12.112 -0.285 1.00 0.00 C ATOM 531 OE1 GLN A 38 -5.429 -12.028 0.573 1.00 0.00 O ATOM 532 NE2 GLN A 38 -3.504 -12.921 -0.162 1.00 0.00 N ATOM 0 H GLN A 38 -2.469 -10.931 -3.430 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.505 -11.970 -4.955 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.428 -12.755 -2.872 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.681 -12.795 -2.740 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.797 -10.561 -1.551 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.543 -10.709 -1.557 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.799 -12.958 -0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.406 -13.505 0.668 1.00 0.00 H new ATOM 541 N PHE A 39 -5.484 -9.268 -3.315 1.00 0.00 N ATOM 542 CA PHE A 39 -6.504 -8.227 -3.279 1.00 0.00 C ATOM 543 C PHE A 39 -6.640 -7.552 -4.640 1.00 0.00 C ATOM 544 O PHE A 39 -7.721 -7.527 -5.228 1.00 0.00 O ATOM 545 CB PHE A 39 -6.163 -7.185 -2.212 1.00 0.00 C ATOM 546 CG PHE A 39 -5.911 -7.777 -0.855 1.00 0.00 C ATOM 547 CD1 PHE A 39 -6.962 -8.022 0.015 1.00 0.00 C ATOM 548 CD2 PHE A 39 -4.624 -8.087 -0.448 1.00 0.00 C ATOM 549 CE1 PHE A 39 -6.734 -8.567 1.264 1.00 0.00 C ATOM 550 CE2 PHE A 39 -4.390 -8.633 0.800 1.00 0.00 C ATOM 551 CZ PHE A 39 -5.446 -8.872 1.658 1.00 0.00 C ATOM 0 H PHE A 39 -4.729 -9.142 -2.641 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.456 -8.695 -3.028 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.280 -6.630 -2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.981 -6.468 -2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.971 -7.784 -0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.794 -7.900 -1.113 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.562 -8.754 1.931 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.382 -8.873 1.104 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.265 -9.296 2.634 1.00 0.00 H new ATOM 561 N GLY A 40 -5.535 -7.003 -5.136 1.00 0.00 N ATOM 562 CA GLY A 40 -5.551 -6.335 -6.423 1.00 0.00 C ATOM 563 C GLY A 40 -4.200 -6.364 -7.110 1.00 0.00 C ATOM 564 O GLY A 40 -3.262 -6.996 -6.622 1.00 0.00 O ATOM 0 H GLY A 40 -4.629 -7.009 -4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.292 -6.810 -7.066 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.864 -5.300 -6.287 1.00 0.00 H new ATOM 568 N ASP A 41 -4.099 -5.681 -8.244 1.00 0.00 N ATOM 569 CA ASP A 41 -2.853 -5.632 -8.999 1.00 0.00 C ATOM 570 C ASP A 41 -1.862 -4.670 -8.351 1.00 0.00 C ATOM 571 O ASP A 41 -2.146 -3.482 -8.193 1.00 0.00 O ATOM 572 CB ASP A 41 -3.123 -5.208 -10.444 1.00 0.00 C ATOM 573 CG ASP A 41 -3.742 -6.320 -11.268 1.00 0.00 C ATOM 574 OD1 ASP A 41 -3.049 -7.327 -11.520 1.00 0.00 O ATOM 575 OD2 ASP A 41 -4.920 -6.182 -11.661 1.00 0.00 O ATOM 0 H ASP A 41 -4.866 -5.153 -8.661 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.417 -6.631 -8.997 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.787 -4.344 -10.448 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.188 -4.893 -10.908 1.00 0.00 H new ATOM 580 N LEU A 42 -0.699 -5.191 -7.975 1.00 0.00 N ATOM 581 CA LEU A 42 0.334 -4.379 -7.342 1.00 0.00 C ATOM 582 C LEU A 42 1.106 -3.572 -8.382 1.00 0.00 C ATOM 583 O LEU A 42 1.543 -4.108 -9.400 1.00 0.00 O ATOM 584 CB LEU A 42 1.297 -5.268 -6.553 1.00 0.00 C ATOM 585 CG LEU A 42 0.882 -5.600 -5.119 1.00 0.00 C ATOM 586 CD1 LEU A 42 1.813 -6.644 -4.522 1.00 0.00 C ATOM 587 CD2 LEU A 42 0.870 -4.341 -4.263 1.00 0.00 C ATOM 0 H LEU A 42 -0.448 -6.172 -8.098 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.153 -3.684 -6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.426 -6.203 -7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.271 -4.779 -6.524 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.127 -6.012 -5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.502 -6.868 -3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.772 -7.553 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.833 -6.260 -4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.573 -4.595 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.867 -3.900 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.162 -3.625 -4.680 1.00 0.00 H new ATOM 599 N LYS A 43 1.271 -2.281 -8.116 1.00 0.00 N ATOM 600 CA LYS A 43 1.993 -1.399 -9.026 1.00 0.00 C ATOM 601 C LYS A 43 3.499 -1.524 -8.825 1.00 0.00 C ATOM 602 O LYS A 43 4.247 -1.738 -9.779 1.00 0.00 O ATOM 603 CB LYS A 43 1.558 0.053 -8.814 1.00 0.00 C ATOM 604 CG LYS A 43 2.427 1.062 -9.545 1.00 0.00 C ATOM 605 CD LYS A 43 2.043 1.167 -11.012 1.00 0.00 C ATOM 606 CE LYS A 43 2.444 2.513 -11.597 1.00 0.00 C ATOM 607 NZ LYS A 43 3.901 2.574 -11.899 1.00 0.00 N ATOM 0 H LYS A 43 0.915 -1.822 -7.278 1.00 0.00 H new ATOM 0 HA LYS A 43 1.755 -1.698 -10.047 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.526 0.166 -9.147 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.575 0.277 -7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.329 2.039 -9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.474 0.770 -9.462 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.525 0.367 -11.574 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.967 1.028 -11.119 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.876 2.696 -12.509 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.185 3.306 -10.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.135 3.507 -12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.443 2.424 -11.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.144 1.834 -12.588 1.00 0.00 H new ATOM 621 N TYR A 44 3.938 -1.391 -7.578 1.00 0.00 N ATOM 622 CA TYR A 44 5.355 -1.489 -7.252 1.00 0.00 C ATOM 623 C TYR A 44 5.552 -1.924 -5.803 1.00 0.00 C ATOM 624 O TYR A 44 5.002 -1.322 -4.881 1.00 0.00 O ATOM 625 CB TYR A 44 6.049 -0.147 -7.491 1.00 0.00 C ATOM 626 CG TYR A 44 6.070 0.750 -6.274 1.00 0.00 C ATOM 627 CD1 TYR A 44 7.030 0.586 -5.283 1.00 0.00 C ATOM 628 CD2 TYR A 44 5.130 1.760 -6.115 1.00 0.00 C ATOM 629 CE1 TYR A 44 7.052 1.402 -4.169 1.00 0.00 C ATOM 630 CE2 TYR A 44 5.146 2.582 -5.005 1.00 0.00 C ATOM 631 CZ TYR A 44 6.109 2.399 -4.035 1.00 0.00 C ATOM 632 OH TYR A 44 6.128 3.215 -2.927 1.00 0.00 O ATOM 0 H TYR A 44 3.332 -1.215 -6.776 1.00 0.00 H new ATOM 0 HA TYR A 44 5.800 -2.242 -7.903 1.00 0.00 H new ATOM 0 HB2 TYR A 44 7.074 -0.330 -7.814 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.545 0.373 -8.306 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.771 -0.193 -5.386 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.374 1.905 -6.872 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.804 1.260 -3.407 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.408 3.364 -4.897 1.00 0.00 H new ATOM 0 HH TYR A 44 5.398 3.866 -2.987 1.00 0.00 H new ATOM 642 N VAL A 45 6.343 -2.975 -5.610 1.00 0.00 N ATOM 643 CA VAL A 45 6.616 -3.492 -4.274 1.00 0.00 C ATOM 644 C VAL A 45 8.093 -3.359 -3.924 1.00 0.00 C ATOM 645 O VAL A 45 8.936 -4.079 -4.460 1.00 0.00 O ATOM 646 CB VAL A 45 6.201 -4.970 -4.148 1.00 0.00 C ATOM 647 CG1 VAL A 45 6.660 -5.759 -5.364 1.00 0.00 C ATOM 648 CG2 VAL A 45 6.760 -5.573 -2.868 1.00 0.00 C ATOM 0 H VAL A 45 6.806 -3.485 -6.362 1.00 0.00 H new ATOM 0 HA VAL A 45 6.026 -2.896 -3.578 1.00 0.00 H new ATOM 0 HB VAL A 45 5.113 -5.021 -4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.358 -6.801 -5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.206 -5.340 -6.262 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.745 -5.703 -5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.457 -6.618 -2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.848 -5.511 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.376 -5.023 -2.009 1.00 0.00 H new ATOM 658 N ARG A 46 8.401 -2.434 -3.021 1.00 0.00 N ATOM 659 CA ARG A 46 9.778 -2.205 -2.600 1.00 0.00 C ATOM 660 C ARG A 46 9.923 -2.390 -1.092 1.00 0.00 C ATOM 661 O ARG A 46 9.121 -1.875 -0.313 1.00 0.00 O ATOM 662 CB ARG A 46 10.229 -0.799 -2.998 1.00 0.00 C ATOM 663 CG ARG A 46 11.727 -0.681 -3.224 1.00 0.00 C ATOM 664 CD ARG A 46 12.228 0.723 -2.921 1.00 0.00 C ATOM 665 NE ARG A 46 13.454 1.036 -3.651 1.00 0.00 N ATOM 666 CZ ARG A 46 13.504 1.198 -4.968 1.00 0.00 C ATOM 667 NH1 ARG A 46 12.403 1.077 -5.697 1.00 0.00 N ATOM 668 NH2 ARG A 46 14.658 1.481 -5.559 1.00 0.00 N ATOM 0 H ARG A 46 7.715 -1.831 -2.567 1.00 0.00 H new ATOM 0 HA ARG A 46 10.411 -2.937 -3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.708 -0.504 -3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.931 -0.097 -2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.249 -1.399 -2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.961 -0.937 -4.257 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.456 1.447 -3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.409 0.820 -1.850 1.00 0.00 H new ATOM 0 HE ARG A 46 14.319 1.136 -3.120 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.514 0.859 -5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.445 1.202 -6.708 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.507 1.574 -5.002 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.696 1.605 -6.571 1.00 0.00 H new ATOM 682 N VAL A 47 10.951 -3.129 -0.688 1.00 0.00 N ATOM 683 CA VAL A 47 11.202 -3.382 0.726 1.00 0.00 C ATOM 684 C VAL A 47 12.564 -2.842 1.148 1.00 0.00 C ATOM 685 O VAL A 47 13.603 -3.334 0.708 1.00 0.00 O ATOM 686 CB VAL A 47 11.138 -4.887 1.047 1.00 0.00 C ATOM 687 CG1 VAL A 47 12.063 -5.670 0.128 1.00 0.00 C ATOM 688 CG2 VAL A 47 11.487 -5.135 2.507 1.00 0.00 C ATOM 0 H VAL A 47 11.624 -3.563 -1.320 1.00 0.00 H new ATOM 0 HA VAL A 47 10.421 -2.865 1.283 1.00 0.00 H new ATOM 0 HB VAL A 47 10.119 -5.234 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.004 -6.731 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.761 -5.517 -0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 47 13.088 -5.324 0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.437 -6.203 2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.496 -4.773 2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.779 -4.606 3.145 1.00 0.00 H new ATOM 698 N VAL A 48 12.552 -1.825 2.004 1.00 0.00 N ATOM 699 CA VAL A 48 13.786 -1.218 2.488 1.00 0.00 C ATOM 700 C VAL A 48 14.611 -2.216 3.292 1.00 0.00 C ATOM 701 O VAL A 48 14.081 -2.939 4.136 1.00 0.00 O ATOM 702 CB VAL A 48 13.499 0.017 3.363 1.00 0.00 C ATOM 703 CG1 VAL A 48 12.538 -0.337 4.487 1.00 0.00 C ATOM 704 CG2 VAL A 48 14.794 0.589 3.918 1.00 0.00 C ATOM 0 H VAL A 48 11.701 -1.404 2.377 1.00 0.00 H new ATOM 0 HA VAL A 48 14.352 -0.908 1.609 1.00 0.00 H new ATOM 0 HB VAL A 48 13.029 0.779 2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.347 0.548 5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.600 -0.696 4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 48 12.977 -1.117 5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.572 1.461 4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.295 -0.166 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.445 0.883 3.094 1.00 0.00 H new ATOM 857 N GLY A 58 12.697 -4.121 8.421 1.00 0.00 N ATOM 858 CA GLY A 58 11.578 -4.410 9.299 1.00 0.00 C ATOM 859 C GLY A 58 10.266 -3.871 8.764 1.00 0.00 C ATOM 860 O GLY A 58 9.232 -3.965 9.426 1.00 0.00 O ATOM 0 HA2 GLY A 58 11.496 -5.488 9.435 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.771 -3.979 10.282 1.00 0.00 H new ATOM 864 N CYS A 59 10.308 -3.303 7.563 1.00 0.00 N ATOM 865 CA CYS A 59 9.113 -2.744 6.940 1.00 0.00 C ATOM 866 C CYS A 59 9.290 -2.633 5.429 1.00 0.00 C ATOM 867 O CYS A 59 10.387 -2.825 4.907 1.00 0.00 O ATOM 868 CB CYS A 59 8.800 -1.369 7.532 1.00 0.00 C ATOM 869 SG CYS A 59 10.002 -0.089 7.102 1.00 0.00 S ATOM 0 H CYS A 59 11.156 -3.218 7.002 1.00 0.00 H new ATOM 0 HA CYS A 59 8.279 -3.416 7.142 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.813 -1.055 7.192 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.750 -1.455 8.617 1.00 0.00 H new ATOM 0 HG CYS A 59 9.377 1.013 6.812 1.00 0.00 H new ATOM 875 N ALA A 60 8.202 -2.322 4.733 1.00 0.00 N ATOM 876 CA ALA A 60 8.236 -2.184 3.282 1.00 0.00 C ATOM 877 C ALA A 60 7.083 -1.319 2.785 1.00 0.00 C ATOM 878 O ALA A 60 6.080 -1.146 3.478 1.00 0.00 O ATOM 879 CB ALA A 60 8.194 -3.554 2.621 1.00 0.00 C ATOM 0 H ALA A 60 7.285 -2.161 5.150 1.00 0.00 H new ATOM 0 HA ALA A 60 9.169 -1.690 3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.220 -3.436 1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.055 -4.140 2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.277 -4.069 2.908 1.00 0.00 H new ATOM 885 N PHE A 61 7.232 -0.777 1.581 1.00 0.00 N ATOM 886 CA PHE A 61 6.204 0.072 0.992 1.00 0.00 C ATOM 887 C PHE A 61 5.747 -0.482 -0.355 1.00 0.00 C ATOM 888 O PHE A 61 6.566 -0.835 -1.203 1.00 0.00 O ATOM 889 CB PHE A 61 6.728 1.499 0.817 1.00 0.00 C ATOM 890 CG PHE A 61 7.282 2.092 2.081 1.00 0.00 C ATOM 891 CD1 PHE A 61 8.578 1.811 2.484 1.00 0.00 C ATOM 892 CD2 PHE A 61 6.508 2.931 2.866 1.00 0.00 C ATOM 893 CE1 PHE A 61 9.090 2.356 3.647 1.00 0.00 C ATOM 894 CE2 PHE A 61 7.014 3.479 4.030 1.00 0.00 C ATOM 895 CZ PHE A 61 8.307 3.191 4.420 1.00 0.00 C ATOM 0 H PHE A 61 8.055 -0.911 0.994 1.00 0.00 H new ATOM 0 HA PHE A 61 5.350 0.087 1.669 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.505 1.501 0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.920 2.132 0.452 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.195 1.159 1.883 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.496 3.160 2.565 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.101 2.129 3.951 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.399 4.131 4.633 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.706 3.618 5.328 1.00 0.00 H new ATOM 905 N ALA A 62 4.433 -0.555 -0.543 1.00 0.00 N ATOM 906 CA ALA A 62 3.866 -1.064 -1.785 1.00 0.00 C ATOM 907 C ALA A 62 2.767 -0.144 -2.305 1.00 0.00 C ATOM 908 O ALA A 62 2.326 0.766 -1.604 1.00 0.00 O ATOM 909 CB ALA A 62 3.327 -2.472 -1.581 1.00 0.00 C ATOM 0 H ALA A 62 3.742 -0.268 0.150 1.00 0.00 H new ATOM 0 HA ALA A 62 4.660 -1.096 -2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.906 -2.840 -2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.137 -3.129 -1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.551 -2.457 -0.816 1.00 0.00 H new ATOM 915 N GLN A 63 2.330 -0.388 -3.536 1.00 0.00 N ATOM 916 CA GLN A 63 1.282 0.420 -4.148 1.00 0.00 C ATOM 917 C GLN A 63 0.291 -0.457 -4.907 1.00 0.00 C ATOM 918 O GLN A 63 0.678 -1.421 -5.567 1.00 0.00 O ATOM 919 CB GLN A 63 1.895 1.454 -5.095 1.00 0.00 C ATOM 920 CG GLN A 63 0.926 2.551 -5.506 1.00 0.00 C ATOM 921 CD GLN A 63 1.219 3.100 -6.889 1.00 0.00 C ATOM 922 OE1 GLN A 63 0.489 2.832 -7.843 1.00 0.00 O ATOM 923 NE2 GLN A 63 2.293 3.873 -7.004 1.00 0.00 N ATOM 0 H GLN A 63 2.685 -1.138 -4.129 1.00 0.00 H new ATOM 0 HA GLN A 63 0.746 0.938 -3.353 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.761 1.907 -4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.257 0.946 -5.989 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.091 2.160 -5.482 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.972 3.362 -4.780 1.00 0.00 H new ATOM 0 HE21 GLN A 63 2.870 4.069 -6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.541 4.271 -7.910 1.00 0.00 H new ATOM 932 N PHE A 64 -0.989 -0.116 -4.807 1.00 0.00 N ATOM 933 CA PHE A 64 -2.037 -0.873 -5.483 1.00 0.00 C ATOM 934 C PHE A 64 -2.444 -0.194 -6.787 1.00 0.00 C ATOM 935 O PHE A 64 -2.018 0.924 -7.076 1.00 0.00 O ATOM 936 CB PHE A 64 -3.256 -1.023 -4.570 1.00 0.00 C ATOM 937 CG PHE A 64 -3.203 -2.242 -3.694 1.00 0.00 C ATOM 938 CD1 PHE A 64 -3.626 -3.472 -4.170 1.00 0.00 C ATOM 939 CD2 PHE A 64 -2.730 -2.157 -2.395 1.00 0.00 C ATOM 940 CE1 PHE A 64 -3.578 -4.596 -3.367 1.00 0.00 C ATOM 941 CE2 PHE A 64 -2.679 -3.277 -1.587 1.00 0.00 C ATOM 942 CZ PHE A 64 -3.105 -4.498 -2.073 1.00 0.00 C ATOM 0 H PHE A 64 -1.326 0.679 -4.265 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.643 -1.862 -5.717 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.340 -0.137 -3.941 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.156 -1.065 -5.183 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.998 -3.554 -5.181 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.397 -1.205 -2.009 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.910 -5.549 -3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.306 -3.198 -0.576 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.068 -5.374 -1.442 1.00 0.00 H new ATOM 952 N MET A 65 -3.271 -0.878 -7.570 1.00 0.00 N ATOM 953 CA MET A 65 -3.737 -0.341 -8.844 1.00 0.00 C ATOM 954 C MET A 65 -5.087 0.350 -8.681 1.00 0.00 C ATOM 955 O MET A 65 -5.547 1.057 -9.579 1.00 0.00 O ATOM 956 CB MET A 65 -3.844 -1.457 -9.884 1.00 0.00 C ATOM 957 CG MET A 65 -2.565 -1.672 -10.678 1.00 0.00 C ATOM 958 SD MET A 65 -2.501 -0.668 -12.175 1.00 0.00 S ATOM 959 CE MET A 65 -1.793 0.848 -11.535 1.00 0.00 C ATOM 0 H MET A 65 -3.633 -1.805 -7.345 1.00 0.00 H new ATOM 0 HA MET A 65 -3.011 0.396 -9.187 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.111 -2.387 -9.381 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.655 -1.223 -10.574 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.707 -1.435 -10.049 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.482 -2.725 -10.947 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.128 1.282 -12.281 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.591 1.554 -11.305 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.228 0.631 -10.628 1.00 0.00 H new ATOM 969 N THR A 66 -5.719 0.141 -7.531 1.00 0.00 N ATOM 970 CA THR A 66 -7.018 0.742 -7.252 1.00 0.00 C ATOM 971 C THR A 66 -7.147 1.111 -5.778 1.00 0.00 C ATOM 972 O THR A 66 -6.678 0.384 -4.904 1.00 0.00 O ATOM 973 CB THR A 66 -8.170 -0.207 -7.634 1.00 0.00 C ATOM 974 OG1 THR A 66 -7.943 -1.504 -7.073 1.00 0.00 O ATOM 975 CG2 THR A 66 -8.300 -0.318 -9.146 1.00 0.00 C ATOM 0 H THR A 66 -5.353 -0.440 -6.777 1.00 0.00 H new ATOM 0 HA THR A 66 -7.085 1.645 -7.858 1.00 0.00 H new ATOM 0 HB THR A 66 -9.097 0.203 -7.234 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.681 -2.101 -7.319 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.120 -0.993 -9.392 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.502 0.667 -9.567 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.371 -0.707 -9.563 1.00 0.00 H new ATOM 983 N GLN A 67 -7.787 2.246 -5.512 1.00 0.00 N ATOM 984 CA GLN A 67 -7.977 2.711 -4.143 1.00 0.00 C ATOM 985 C GLN A 67 -8.590 1.616 -3.276 1.00 0.00 C ATOM 986 O GLN A 67 -8.103 1.332 -2.183 1.00 0.00 O ATOM 987 CB GLN A 67 -8.870 3.953 -4.124 1.00 0.00 C ATOM 988 CG GLN A 67 -8.106 5.255 -4.304 1.00 0.00 C ATOM 989 CD GLN A 67 -8.996 6.398 -4.749 1.00 0.00 C ATOM 990 OE1 GLN A 67 -10.189 6.212 -4.992 1.00 0.00 O ATOM 991 NE2 GLN A 67 -8.421 7.589 -4.858 1.00 0.00 N ATOM 0 H GLN A 67 -8.182 2.859 -6.225 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.000 2.968 -3.734 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.615 3.866 -4.915 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.411 3.987 -3.178 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.623 5.521 -3.364 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.315 5.109 -5.039 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.429 7.698 -4.647 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.971 8.396 -5.153 1.00 0.00 H new ATOM 1000 N GLU A 68 -9.662 1.006 -3.772 1.00 0.00 N ATOM 1001 CA GLU A 68 -10.342 -0.057 -3.041 1.00 0.00 C ATOM 1002 C GLU A 68 -9.352 -1.130 -2.596 1.00 0.00 C ATOM 1003 O GLU A 68 -9.415 -1.617 -1.468 1.00 0.00 O ATOM 1004 CB GLU A 68 -11.435 -0.684 -3.909 1.00 0.00 C ATOM 1005 CG GLU A 68 -12.593 -1.257 -3.109 1.00 0.00 C ATOM 1006 CD GLU A 68 -13.314 -0.203 -2.290 1.00 0.00 C ATOM 1007 OE1 GLU A 68 -13.989 0.657 -2.893 1.00 0.00 O ATOM 1008 OE2 GLU A 68 -13.201 -0.238 -1.047 1.00 0.00 O ATOM 0 H GLU A 68 -10.078 1.229 -4.676 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.799 0.381 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.818 0.070 -4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.996 -1.476 -4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.301 -1.730 -3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.220 -2.036 -2.444 1.00 0.00 H new ATOM 1015 N ALA A 69 -8.440 -1.493 -3.491 1.00 0.00 N ATOM 1016 CA ALA A 69 -7.436 -2.507 -3.191 1.00 0.00 C ATOM 1017 C ALA A 69 -6.732 -2.208 -1.872 1.00 0.00 C ATOM 1018 O ALA A 69 -6.837 -2.974 -0.915 1.00 0.00 O ATOM 1019 CB ALA A 69 -6.424 -2.598 -4.323 1.00 0.00 C ATOM 0 H ALA A 69 -8.375 -1.100 -4.430 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.942 -3.467 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.680 -3.359 -4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.935 -2.866 -5.248 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.930 -1.634 -4.448 1.00 0.00 H new ATOM 1025 N ALA A 70 -6.014 -1.091 -1.829 1.00 0.00 N ATOM 1026 CA ALA A 70 -5.294 -0.691 -0.627 1.00 0.00 C ATOM 1027 C ALA A 70 -6.154 -0.884 0.618 1.00 0.00 C ATOM 1028 O ALA A 70 -5.754 -1.569 1.559 1.00 0.00 O ATOM 1029 CB ALA A 70 -4.842 0.758 -0.739 1.00 0.00 C ATOM 0 H ALA A 70 -5.915 -0.447 -2.613 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.415 -1.328 -0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.306 1.043 0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.184 0.868 -1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.713 1.402 -0.863 1.00 0.00 H new ATOM 1035 N GLN A 71 -7.335 -0.274 0.616 1.00 0.00 N ATOM 1036 CA GLN A 71 -8.250 -0.378 1.746 1.00 0.00 C ATOM 1037 C GLN A 71 -8.514 -1.838 2.100 1.00 0.00 C ATOM 1038 O GLN A 71 -8.514 -2.214 3.272 1.00 0.00 O ATOM 1039 CB GLN A 71 -9.569 0.329 1.429 1.00 0.00 C ATOM 1040 CG GLN A 71 -9.404 1.803 1.095 1.00 0.00 C ATOM 1041 CD GLN A 71 -8.282 2.456 1.877 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -7.052 2.284 1.405 1.00 0.00 O flip ATOM 1043 NE2 GLN A 71 -8.516 3.109 2.894 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.680 0.297 -0.155 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.784 0.106 2.604 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.049 -0.174 0.589 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.239 0.231 2.284 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.208 1.910 0.028 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.338 2.325 1.302 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.476 3.216 3.222 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.750 3.543 3.409 1.00 0.00 H new ATOM 1052 N LYS A 72 -8.739 -2.658 1.079 1.00 0.00 N ATOM 1053 CA LYS A 72 -9.004 -4.077 1.280 1.00 0.00 C ATOM 1054 C LYS A 72 -7.817 -4.763 1.949 1.00 0.00 C ATOM 1055 O LYS A 72 -7.977 -5.778 2.628 1.00 0.00 O ATOM 1056 CB LYS A 72 -9.311 -4.755 -0.057 1.00 0.00 C ATOM 1057 CG LYS A 72 -10.659 -4.368 -0.640 1.00 0.00 C ATOM 1058 CD LYS A 72 -10.937 -5.105 -1.940 1.00 0.00 C ATOM 1059 CE LYS A 72 -12.326 -4.790 -2.473 1.00 0.00 C ATOM 1060 NZ LYS A 72 -12.896 -5.929 -3.245 1.00 0.00 N ATOM 0 H LYS A 72 -8.743 -2.363 0.103 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.871 -4.169 1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.529 -4.500 -0.772 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.280 -5.836 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.446 -4.591 0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.684 -3.293 -0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.189 -4.828 -2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.843 -6.179 -1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.988 -4.548 -1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.279 -3.907 -3.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.843 -5.674 -3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.278 -6.144 -4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.965 -6.765 -2.630 1.00 0.00 H new ATOM 1074 N CYS A 73 -6.629 -4.201 1.755 1.00 0.00 N ATOM 1075 CA CYS A 73 -5.415 -4.758 2.340 1.00 0.00 C ATOM 1076 C CYS A 73 -5.287 -4.360 3.807 1.00 0.00 C ATOM 1077 O CYS A 73 -4.666 -5.068 4.602 1.00 0.00 O ATOM 1078 CB CYS A 73 -4.186 -4.287 1.562 1.00 0.00 C ATOM 1079 SG CYS A 73 -2.635 -4.419 2.481 1.00 0.00 S ATOM 0 H CYS A 73 -6.481 -3.360 1.197 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.478 -5.845 2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.104 -4.871 0.646 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.333 -3.248 1.266 1.00 0.00 H new ATOM 0 HG CYS A 73 -2.885 -4.779 3.705 1.00 0.00 H new ATOM 1085 N LEU A 74 -5.875 -3.223 4.159 1.00 0.00 N ATOM 1086 CA LEU A 74 -5.825 -2.728 5.531 1.00 0.00 C ATOM 1087 C LEU A 74 -6.768 -3.522 6.430 1.00 0.00 C ATOM 1088 O LEU A 74 -6.328 -4.257 7.313 1.00 0.00 O ATOM 1089 CB LEU A 74 -6.191 -1.244 5.573 1.00 0.00 C ATOM 1090 CG LEU A 74 -5.457 -0.343 4.579 1.00 0.00 C ATOM 1091 CD1 LEU A 74 -6.079 1.044 4.555 1.00 0.00 C ATOM 1092 CD2 LEU A 74 -3.978 -0.261 4.925 1.00 0.00 C ATOM 0 H LEU A 74 -6.392 -2.626 3.514 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.807 -2.855 5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.262 -1.149 5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.000 -0.872 6.580 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.553 -0.778 3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.543 1.671 3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.125 0.969 4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.015 1.489 5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.472 0.384 4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.861 0.150 5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.540 -1.258 4.888 1.00 0.00 H new ATOM 1104 N ALA A 75 -8.068 -3.369 6.198 1.00 0.00 N ATOM 1105 CA ALA A 75 -9.073 -4.074 6.983 1.00 0.00 C ATOM 1106 C ALA A 75 -8.646 -5.512 7.258 1.00 0.00 C ATOM 1107 O ALA A 75 -8.942 -6.066 8.315 1.00 0.00 O ATOM 1108 CB ALA A 75 -10.416 -4.047 6.268 1.00 0.00 C ATOM 0 H ALA A 75 -8.449 -2.762 5.472 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.174 -3.564 7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.157 -4.577 6.866 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.734 -3.014 6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.320 -4.531 5.296 1.00 0.00 H new ATOM 1114 N ALA A 76 -7.948 -6.110 6.298 1.00 0.00 N ATOM 1115 CA ALA A 76 -7.479 -7.483 6.437 1.00 0.00 C ATOM 1116 C ALA A 76 -6.234 -7.552 7.316 1.00 0.00 C ATOM 1117 O ALA A 76 -6.044 -8.509 8.066 1.00 0.00 O ATOM 1118 CB ALA A 76 -7.196 -8.086 5.069 1.00 0.00 C ATOM 0 H ALA A 76 -7.695 -5.665 5.416 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.266 -8.062 6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.847 -9.112 5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.109 -8.081 4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.430 -7.498 4.564 1.00 0.00 H new ATOM 1124 N ALA A 77 -5.389 -6.531 7.216 1.00 0.00 N ATOM 1125 CA ALA A 77 -4.163 -6.476 8.003 1.00 0.00 C ATOM 1126 C ALA A 77 -4.469 -6.267 9.482 1.00 0.00 C ATOM 1127 O ALA A 77 -3.809 -6.841 10.349 1.00 0.00 O ATOM 1128 CB ALA A 77 -3.255 -5.368 7.489 1.00 0.00 C ATOM 0 H ALA A 77 -5.531 -5.732 6.598 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.649 -7.431 7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.343 -5.338 8.086 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.000 -5.560 6.447 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.770 -4.410 7.566 1.00 0.00 H new ATOM 1134 N SER A 78 -5.473 -5.443 9.764 1.00 0.00 N ATOM 1135 CA SER A 78 -5.863 -5.155 11.139 1.00 0.00 C ATOM 1136 C SER A 78 -6.501 -6.379 11.790 1.00 0.00 C ATOM 1137 O SER A 78 -7.659 -6.704 11.527 1.00 0.00 O ATOM 1138 CB SER A 78 -6.837 -3.976 11.179 1.00 0.00 C ATOM 1139 OG SER A 78 -6.781 -3.311 12.429 1.00 0.00 O ATOM 0 H SER A 78 -6.031 -4.963 9.058 1.00 0.00 H new ATOM 0 HA SER A 78 -4.965 -4.894 11.699 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.597 -3.275 10.379 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.851 -4.332 10.998 1.00 0.00 H new ATOM 0 HG SER A 78 -7.411 -2.561 12.429 1.00 0.00 H new ATOM 1225 N LEU A 86 -3.445 -10.519 9.128 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.513 -11.229 8.258 1.00 0.00 C ATOM 1227 C LEU A 86 -1.220 -11.555 8.998 1.00 0.00 C ATOM 1228 O LEU A 86 -0.843 -10.865 9.946 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.206 -10.392 7.015 1.00 0.00 C ATOM 1230 CG LEU A 86 -3.128 -10.610 5.815 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -4.484 -9.967 6.060 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -2.494 -10.055 4.548 1.00 0.00 C ATOM 0 HA LEU A 86 -2.981 -12.165 7.951 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.246 -9.339 7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.182 -10.601 6.704 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.275 -11.682 5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.127 -10.132 5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.943 -10.411 6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.356 -8.896 6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.164 -10.219 3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.316 -8.986 4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.547 -10.562 4.363 1.00 0.00 H new ATOM 1244 N LYS A 87 -0.542 -12.610 8.558 1.00 0.00 N ATOM 1245 CA LYS A 87 0.712 -13.027 9.174 1.00 0.00 C ATOM 1246 C LYS A 87 1.655 -13.627 8.137 1.00 0.00 C ATOM 1247 O LYS A 87 1.280 -14.532 7.391 1.00 0.00 O ATOM 1248 CB LYS A 87 0.444 -14.045 10.285 1.00 0.00 C ATOM 1249 CG LYS A 87 -0.186 -13.438 11.527 1.00 0.00 C ATOM 1250 CD LYS A 87 0.217 -14.194 12.782 1.00 0.00 C ATOM 1251 CE LYS A 87 -0.605 -13.757 13.985 1.00 0.00 C ATOM 1252 NZ LYS A 87 -0.680 -14.822 15.023 1.00 0.00 N ATOM 0 H LYS A 87 -0.841 -13.192 7.776 1.00 0.00 H new ATOM 0 HA LYS A 87 1.187 -12.145 9.604 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.211 -14.826 9.900 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.383 -14.524 10.561 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.116 -12.395 11.617 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.271 -13.448 11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.087 -15.264 12.621 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.275 -14.028 12.984 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.165 -12.858 14.418 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.612 -13.495 13.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.249 -14.485 15.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.123 -15.671 14.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.279 -15.055 15.351 1.00 0.00 H new ATOM 1266 N LEU A 88 2.882 -13.118 8.095 1.00 0.00 N ATOM 1267 CA LEU A 88 3.880 -13.605 7.150 1.00 0.00 C ATOM 1268 C LEU A 88 5.070 -14.217 7.882 1.00 0.00 C ATOM 1269 O LEU A 88 5.736 -13.548 8.673 1.00 0.00 O ATOM 1270 CB LEU A 88 4.354 -12.465 6.246 1.00 0.00 C ATOM 1271 CG LEU A 88 4.972 -12.881 4.910 1.00 0.00 C ATOM 1272 CD1 LEU A 88 3.886 -13.125 3.873 1.00 0.00 C ATOM 1273 CD2 LEU A 88 5.949 -11.822 4.423 1.00 0.00 C ATOM 0 H LEU A 88 3.209 -12.368 8.705 1.00 0.00 H new ATOM 0 HA LEU A 88 3.417 -14.378 6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.505 -11.812 6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.087 -11.874 6.794 1.00 0.00 H new ATOM 0 HG LEU A 88 5.520 -13.812 5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.344 -13.420 2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.224 -13.919 4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.310 -12.211 3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.379 -12.134 3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.424 -10.876 4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.745 -11.696 5.157 1.00 0.00 H new ATOM 1285 N ASP A 89 5.334 -15.490 7.612 1.00 0.00 N ATOM 1286 CA ASP A 89 6.446 -16.192 8.242 1.00 0.00 C ATOM 1287 C ASP A 89 6.266 -16.246 9.756 1.00 0.00 C ATOM 1288 O ASP A 89 7.238 -16.342 10.504 1.00 0.00 O ATOM 1289 CB ASP A 89 7.769 -15.507 7.898 1.00 0.00 C ATOM 1290 CG ASP A 89 8.363 -16.015 6.599 1.00 0.00 C ATOM 1291 OD1 ASP A 89 8.946 -17.119 6.605 1.00 0.00 O ATOM 1292 OD2 ASP A 89 8.246 -15.308 5.576 1.00 0.00 O ATOM 0 H ASP A 89 4.793 -16.058 6.960 1.00 0.00 H new ATOM 0 HA ASP A 89 6.463 -17.212 7.859 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.610 -14.431 7.825 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.480 -15.670 8.708 1.00 0.00 H new ATOM 1297 N GLY A 90 5.014 -16.184 10.201 1.00 0.00 N ATOM 1298 CA GLY A 90 4.730 -16.227 11.623 1.00 0.00 C ATOM 1299 C GLY A 90 4.888 -14.873 12.287 1.00 0.00 C ATOM 1300 O GLY A 90 5.247 -14.789 13.461 1.00 0.00 O ATOM 0 H GLY A 90 4.192 -16.105 9.602 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.713 -16.587 11.776 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.397 -16.943 12.102 1.00 0.00 H new ATOM 1304 N ARG A 91 4.622 -13.812 11.533 1.00 0.00 N ATOM 1305 CA ARG A 91 4.740 -12.455 12.055 1.00 0.00 C ATOM 1306 C ARG A 91 3.589 -11.582 11.564 1.00 0.00 C ATOM 1307 O ARG A 91 3.305 -11.528 10.368 1.00 0.00 O ATOM 1308 CB ARG A 91 6.076 -11.839 11.636 1.00 0.00 C ATOM 1309 CG ARG A 91 7.285 -12.542 12.232 1.00 0.00 C ATOM 1310 CD ARG A 91 8.440 -11.578 12.447 1.00 0.00 C ATOM 1311 NE ARG A 91 9.315 -12.006 13.536 1.00 0.00 N ATOM 1312 CZ ARG A 91 8.960 -11.983 14.816 1.00 0.00 C ATOM 1313 NH1 ARG A 91 7.755 -11.557 15.165 1.00 0.00 N ATOM 1314 NH2 ARG A 91 9.812 -12.389 15.749 1.00 0.00 N ATOM 0 H ARG A 91 4.323 -13.865 10.559 1.00 0.00 H new ATOM 0 HA ARG A 91 4.697 -12.506 13.143 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.152 -11.862 10.549 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.092 -10.791 11.934 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.009 -12.999 13.182 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.601 -13.348 11.570 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.019 -11.496 11.527 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.047 -10.585 12.666 1.00 0.00 H new ATOM 0 HE ARG A 91 10.249 -12.341 13.301 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.097 -11.246 14.450 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.485 -11.540 16.148 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.740 -12.719 15.483 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.539 -12.371 16.732 1.00 0.00 H new ATOM 1328 N GLN A 92 2.930 -10.901 12.497 1.00 0.00 N ATOM 1329 CA GLN A 92 1.810 -10.032 12.159 1.00 0.00 C ATOM 1330 C GLN A 92 2.241 -8.944 11.181 1.00 0.00 C ATOM 1331 O GLN A 92 3.335 -8.390 11.295 1.00 0.00 O ATOM 1332 CB GLN A 92 1.230 -9.397 13.424 1.00 0.00 C ATOM 1333 CG GLN A 92 -0.258 -9.102 13.329 1.00 0.00 C ATOM 1334 CD GLN A 92 -0.567 -7.957 12.384 1.00 0.00 C ATOM 1335 OE1 GLN A 92 0.120 -6.935 12.383 1.00 0.00 O ATOM 1336 NE2 GLN A 92 -1.605 -8.123 11.573 1.00 0.00 N ATOM 0 H GLN A 92 3.153 -10.935 13.492 1.00 0.00 H new ATOM 0 HA GLN A 92 1.042 -10.640 11.682 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.407 -10.063 14.269 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.763 -8.469 13.632 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.781 -9.997 12.992 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.641 -8.863 14.321 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.147 -8.987 11.608 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.861 -7.387 10.915 1.00 0.00 H new ATOM 1345 N LEU A 93 1.374 -8.641 10.221 1.00 0.00 N ATOM 1346 CA LEU A 93 1.665 -7.619 9.222 1.00 0.00 C ATOM 1347 C LEU A 93 0.747 -6.413 9.394 1.00 0.00 C ATOM 1348 O LEU A 93 -0.471 -6.520 9.249 1.00 0.00 O ATOM 1349 CB LEU A 93 1.510 -8.195 7.814 1.00 0.00 C ATOM 1350 CG LEU A 93 2.214 -9.527 7.553 1.00 0.00 C ATOM 1351 CD1 LEU A 93 1.892 -10.037 6.156 1.00 0.00 C ATOM 1352 CD2 LEU A 93 3.718 -9.381 7.735 1.00 0.00 C ATOM 0 H LEU A 93 0.464 -9.089 10.113 1.00 0.00 H new ATOM 0 HA LEU A 93 2.695 -7.292 9.362 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.447 -8.323 7.610 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.886 -7.462 7.100 1.00 0.00 H new ATOM 0 HG LEU A 93 1.849 -10.256 8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.402 -10.986 5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.816 -10.182 6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.227 -9.309 5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.202 -10.339 7.545 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.099 -8.637 7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.932 -9.062 8.755 1.00 0.00 H new ATOM 1364 N LYS A 94 1.339 -5.264 9.703 1.00 0.00 N ATOM 1365 CA LYS A 94 0.576 -4.036 9.891 1.00 0.00 C ATOM 1366 C LYS A 94 0.613 -3.174 8.633 1.00 0.00 C ATOM 1367 O LYS A 94 1.624 -2.540 8.333 1.00 0.00 O ATOM 1368 CB LYS A 94 1.128 -3.246 11.080 1.00 0.00 C ATOM 1369 CG LYS A 94 0.525 -3.654 12.413 1.00 0.00 C ATOM 1370 CD LYS A 94 0.823 -2.630 13.496 1.00 0.00 C ATOM 1371 CE LYS A 94 0.069 -2.941 14.780 1.00 0.00 C ATOM 1372 NZ LYS A 94 0.397 -1.975 15.864 1.00 0.00 N ATOM 0 H LYS A 94 2.346 -5.158 9.829 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.460 -4.309 10.093 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.209 -3.379 11.124 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.944 -2.184 10.917 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.554 -3.768 12.306 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.920 -4.625 12.710 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.894 -2.613 13.697 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.549 -1.636 13.143 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.003 -2.918 14.586 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.312 -3.951 15.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.137 -2.221 16.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.416 -2.014 16.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.141 -1.013 15.561 1.00 0.00 H new ATOM 1386 N VAL A 95 -0.497 -3.154 7.902 1.00 0.00 N ATOM 1387 CA VAL A 95 -0.592 -2.368 6.678 1.00 0.00 C ATOM 1388 C VAL A 95 -1.358 -1.071 6.916 1.00 0.00 C ATOM 1389 O VAL A 95 -2.462 -1.082 7.459 1.00 0.00 O ATOM 1390 CB VAL A 95 -1.284 -3.161 5.553 1.00 0.00 C ATOM 1391 CG1 VAL A 95 -1.334 -2.340 4.274 1.00 0.00 C ATOM 1392 CG2 VAL A 95 -0.572 -4.485 5.320 1.00 0.00 C ATOM 0 H VAL A 95 -1.343 -3.673 8.136 1.00 0.00 H new ATOM 0 HA VAL A 95 0.428 -2.134 6.373 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.308 -3.374 5.859 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.826 -2.916 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.892 -1.421 4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.320 -2.093 3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.074 -5.032 4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.463 -4.296 5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.594 -5.076 6.235 1.00 0.00 H new ATOM 1402 N ASP A 96 -0.764 0.044 6.505 1.00 0.00 N ATOM 1403 CA ASP A 96 -1.391 1.350 6.671 1.00 0.00 C ATOM 1404 C ASP A 96 -1.164 2.222 5.441 1.00 0.00 C ATOM 1405 O ASP A 96 -0.110 2.157 4.806 1.00 0.00 O ATOM 1406 CB ASP A 96 -0.840 2.048 7.916 1.00 0.00 C ATOM 1407 CG ASP A 96 -1.704 3.214 8.355 1.00 0.00 C ATOM 1408 OD1 ASP A 96 -2.926 3.017 8.523 1.00 0.00 O ATOM 1409 OD2 ASP A 96 -1.159 4.323 8.533 1.00 0.00 O ATOM 0 H ASP A 96 0.151 0.070 6.055 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.464 1.199 6.793 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.766 1.327 8.730 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.170 2.404 7.713 1.00 0.00 H new ATOM 1414 N LEU A 97 -2.159 3.037 5.109 1.00 0.00 N ATOM 1415 CA LEU A 97 -2.069 3.923 3.953 1.00 0.00 C ATOM 1416 C LEU A 97 -0.928 4.922 4.120 1.00 0.00 C ATOM 1417 O LEU A 97 -1.069 5.929 4.813 1.00 0.00 O ATOM 1418 CB LEU A 97 -3.389 4.669 3.753 1.00 0.00 C ATOM 1419 CG LEU A 97 -3.561 5.382 2.411 1.00 0.00 C ATOM 1420 CD1 LEU A 97 -2.225 5.912 1.914 1.00 0.00 C ATOM 1421 CD2 LEU A 97 -4.180 4.445 1.384 1.00 0.00 C ATOM 0 H LEU A 97 -3.037 3.103 5.623 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.867 3.312 3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.207 3.958 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.491 5.407 4.549 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.234 6.227 2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.366 6.416 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.821 6.617 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.529 5.083 1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.295 4.970 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.532 3.580 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.157 4.114 1.736 1.00 0.00 H new ATOM 1433 N ALA A 98 0.200 4.636 3.478 1.00 0.00 N ATOM 1434 CA ALA A 98 1.363 5.512 3.552 1.00 0.00 C ATOM 1435 C ALA A 98 1.294 6.608 2.495 1.00 0.00 C ATOM 1436 O ALA A 98 0.313 6.713 1.758 1.00 0.00 O ATOM 1437 CB ALA A 98 2.643 4.703 3.394 1.00 0.00 C ATOM 0 H ALA A 98 0.333 3.805 2.901 1.00 0.00 H new ATOM 0 HA ALA A 98 1.366 5.989 4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.504 5.369 3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.705 3.961 4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.638 4.199 2.428 1.00 0.00 H new ATOM 1443 N VAL A 99 2.341 7.424 2.425 1.00 0.00 N ATOM 1444 CA VAL A 99 2.399 8.512 1.456 1.00 0.00 C ATOM 1445 C VAL A 99 3.841 8.864 1.111 1.00 0.00 C ATOM 1446 O VAL A 99 4.732 8.785 1.957 1.00 0.00 O ATOM 1447 CB VAL A 99 1.687 9.772 1.985 1.00 0.00 C ATOM 1448 CG1 VAL A 99 1.842 10.924 1.005 1.00 0.00 C ATOM 1449 CG2 VAL A 99 0.218 9.481 2.251 1.00 0.00 C ATOM 0 H VAL A 99 3.161 7.352 3.028 1.00 0.00 H new ATOM 0 HA VAL A 99 1.888 8.164 0.558 1.00 0.00 H new ATOM 0 HB VAL A 99 2.152 10.063 2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.333 11.805 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.900 11.147 0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.404 10.647 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.270 10.382 2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.264 9.164 1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.133 8.688 2.994 1.00 0.00 H new