USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 490 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 28 LYS NZ :NH3+ -134:sc= 1.87 (180deg=0) USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= 0.638 USER MOD Set 1.3: A 63 SER OG : rot -41:sc= 1.44 USER MOD Set 2.1: A 39 HIS : no HE2:sc= -4.77! C(o=-5.3!,f=-6.5!) USER MOD Set 2.2: A 43 ASN :FLIP amide:sc= -0.508 F(o=-6.8,f=-5.3) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -79:sc= 1.2 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 160:sc= -1.57 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= -0.0251 (180deg=-0.134) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 81:sc= 1.22 USER MOD Single : A 67 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0543) USER MOD Single : A 71 TYR OH : rot -179:sc= 0.116 USER MOD ----------------------------------------------------------------- ATOM 147 N LYS A 11 -2.047 -4.788 -2.157 1.00 0.00 N ATOM 148 CA LYS A 11 -1.472 -3.489 -1.826 1.00 0.00 C ATOM 149 C LYS A 11 -1.746 -3.115 -0.389 1.00 0.00 C ATOM 150 O LYS A 11 -0.869 -2.633 0.297 1.00 0.00 O ATOM 151 CB LYS A 11 -2.057 -2.394 -2.713 1.00 0.00 C ATOM 152 CG LYS A 11 -1.641 -2.454 -4.165 1.00 0.00 C ATOM 153 CD LYS A 11 -2.287 -1.326 -4.956 1.00 0.00 C ATOM 154 CE LYS A 11 -1.771 0.034 -4.498 1.00 0.00 C ATOM 155 NZ LYS A 11 -2.363 1.149 -5.273 1.00 0.00 N ATOM 0 HA LYS A 11 -0.397 -3.573 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.144 -2.448 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.766 -1.425 -2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.556 -2.383 -4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.928 -3.415 -4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.080 -1.458 -6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.369 -1.367 -4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.998 0.169 -3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.686 0.061 -4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.983 2.053 -4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.126 1.037 -6.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.397 1.141 -5.158 1.00 0.00 H new ATOM 169 N PHE A 12 -2.947 -3.375 0.075 1.00 0.00 N ATOM 170 CA PHE A 12 -3.300 -3.016 1.430 1.00 0.00 C ATOM 171 C PHE A 12 -2.588 -3.888 2.454 1.00 0.00 C ATOM 172 O PHE A 12 -2.243 -3.418 3.541 1.00 0.00 O ATOM 173 CB PHE A 12 -4.808 -2.994 1.641 1.00 0.00 C ATOM 174 CG PHE A 12 -5.452 -1.739 1.114 1.00 0.00 C ATOM 175 CD1 PHE A 12 -6.448 -1.787 0.158 1.00 0.00 C ATOM 176 CD2 PHE A 12 -5.051 -0.504 1.592 1.00 0.00 C ATOM 177 CE1 PHE A 12 -7.037 -0.622 -0.305 1.00 0.00 C ATOM 178 CE2 PHE A 12 -5.629 0.657 1.134 1.00 0.00 C ATOM 179 CZ PHE A 12 -6.622 0.602 0.190 1.00 0.00 C ATOM 0 H PHE A 12 -3.689 -3.829 -0.458 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.949 -1.997 1.589 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.252 -3.859 1.149 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.023 -3.088 2.705 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.770 -2.741 -0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.271 -0.451 2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.818 -0.669 -1.050 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.301 1.612 1.518 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.080 1.513 -0.167 1.00 0.00 H new ATOM 189 N TYR A 13 -2.351 -5.152 2.106 1.00 0.00 N ATOM 190 CA TYR A 13 -1.627 -6.038 3.002 1.00 0.00 C ATOM 191 C TYR A 13 -0.176 -5.584 3.072 1.00 0.00 C ATOM 192 O TYR A 13 0.411 -5.484 4.146 1.00 0.00 O ATOM 193 CB TYR A 13 -1.691 -7.495 2.519 1.00 0.00 C ATOM 194 CG TYR A 13 -3.086 -8.084 2.476 1.00 0.00 C ATOM 195 CD1 TYR A 13 -3.741 -8.274 1.269 1.00 0.00 C ATOM 196 CD2 TYR A 13 -3.743 -8.454 3.642 1.00 0.00 C ATOM 197 CE1 TYR A 13 -5.010 -8.815 1.223 1.00 0.00 C ATOM 198 CE2 TYR A 13 -5.010 -8.995 3.605 1.00 0.00 C ATOM 199 CZ TYR A 13 -5.639 -9.174 2.393 1.00 0.00 C ATOM 200 OH TYR A 13 -6.902 -9.709 2.351 1.00 0.00 O ATOM 0 H TYR A 13 -2.645 -5.575 1.226 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.088 -5.993 3.989 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.255 -7.553 1.521 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.072 -8.109 3.173 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.250 -7.994 0.349 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.253 -8.315 4.594 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.506 -8.956 0.274 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.507 -9.277 4.521 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.023 -10.197 1.510 1.00 0.00 H new ATOM 210 N ASP A 14 0.380 -5.290 1.903 1.00 0.00 N ATOM 211 CA ASP A 14 1.745 -4.787 1.780 1.00 0.00 C ATOM 212 C ASP A 14 1.943 -3.465 2.498 1.00 0.00 C ATOM 213 O ASP A 14 2.955 -3.265 3.174 1.00 0.00 O ATOM 214 CB ASP A 14 2.116 -4.627 0.312 1.00 0.00 C ATOM 215 CG ASP A 14 2.515 -5.935 -0.346 1.00 0.00 C ATOM 216 OD1 ASP A 14 3.680 -6.354 -0.175 1.00 0.00 O ATOM 217 OD2 ASP A 14 1.670 -6.555 -1.032 1.00 0.00 O ATOM 0 H ASP A 14 -0.103 -5.394 1.011 1.00 0.00 H new ATOM 0 HA ASP A 14 2.397 -5.521 2.253 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.270 -4.200 -0.226 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.939 -3.918 0.226 1.00 0.00 H new ATOM 222 N ILE A 15 0.984 -2.571 2.356 1.00 0.00 N ATOM 223 CA ILE A 15 1.047 -1.269 3.002 1.00 0.00 C ATOM 224 C ILE A 15 1.084 -1.396 4.534 1.00 0.00 C ATOM 225 O ILE A 15 1.928 -0.774 5.197 1.00 0.00 O ATOM 226 CB ILE A 15 -0.134 -0.372 2.546 1.00 0.00 C ATOM 227 CG1 ILE A 15 0.055 0.054 1.084 1.00 0.00 C ATOM 228 CG2 ILE A 15 -0.307 0.845 3.449 1.00 0.00 C ATOM 229 CD1 ILE A 15 -1.158 0.735 0.484 1.00 0.00 C ATOM 0 H ILE A 15 0.145 -2.722 1.795 1.00 0.00 H new ATOM 0 HA ILE A 15 1.978 -0.793 2.694 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.047 -0.961 2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.908 0.729 1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.299 -0.825 0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.144 1.445 3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.503 0.516 4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.603 1.444 3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.948 1.007 -0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.009 0.055 0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.390 1.634 1.055 1.00 0.00 H new ATOM 241 N LEU A 16 0.174 -2.193 5.091 1.00 0.00 N ATOM 242 CA LEU A 16 0.170 -2.445 6.535 1.00 0.00 C ATOM 243 C LEU A 16 1.376 -3.284 6.988 1.00 0.00 C ATOM 244 O LEU A 16 1.831 -3.159 8.124 1.00 0.00 O ATOM 245 CB LEU A 16 -1.135 -3.117 6.996 1.00 0.00 C ATOM 246 CG LEU A 16 -2.415 -2.271 6.928 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.608 -3.097 7.372 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.279 -1.027 7.794 1.00 0.00 C ATOM 0 H LEU A 16 -0.563 -2.672 4.573 1.00 0.00 H new ATOM 0 HA LEU A 16 0.244 -1.465 7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.287 -4.012 6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.001 -3.447 8.026 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.571 -1.955 5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.511 -2.489 7.320 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.715 -3.962 6.718 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.456 -3.434 8.397 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.195 -0.440 7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.104 -1.321 8.829 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.440 -0.428 7.441 1.00 0.00 H new ATOM 260 N GLY A 17 1.898 -4.118 6.101 1.00 0.00 N ATOM 261 CA GLY A 17 3.008 -4.983 6.471 1.00 0.00 C ATOM 262 C GLY A 17 2.518 -6.340 6.941 1.00 0.00 C ATOM 263 O GLY A 17 3.272 -7.131 7.515 1.00 0.00 O ATOM 0 H GLY A 17 1.578 -4.214 5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.673 -5.110 5.617 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.591 -4.511 7.262 1.00 0.00 H new ATOM 267 N VAL A 18 1.256 -6.597 6.689 1.00 0.00 N ATOM 268 CA VAL A 18 0.622 -7.850 7.060 1.00 0.00 C ATOM 269 C VAL A 18 0.624 -8.811 5.878 1.00 0.00 C ATOM 270 O VAL A 18 0.711 -8.382 4.725 1.00 0.00 O ATOM 271 CB VAL A 18 -0.836 -7.639 7.537 1.00 0.00 C ATOM 272 CG1 VAL A 18 -0.866 -6.849 8.820 1.00 0.00 C ATOM 273 CG2 VAL A 18 -1.665 -6.948 6.466 1.00 0.00 C ATOM 0 H VAL A 18 0.632 -5.941 6.218 1.00 0.00 H new ATOM 0 HA VAL A 18 1.197 -8.270 7.885 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.274 -8.619 7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.899 -6.711 9.139 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.317 -7.388 9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.403 -5.875 8.659 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.685 -6.812 6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.228 -5.976 6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.678 -7.560 5.564 1.00 0.00 H new ATOM 283 N PRO A 19 0.560 -10.121 6.139 1.00 0.00 N ATOM 284 CA PRO A 19 0.493 -11.128 5.078 1.00 0.00 C ATOM 285 C PRO A 19 -0.846 -11.076 4.377 1.00 0.00 C ATOM 286 O PRO A 19 -1.788 -10.475 4.880 1.00 0.00 O ATOM 287 CB PRO A 19 0.615 -12.454 5.837 1.00 0.00 C ATOM 288 CG PRO A 19 0.102 -12.146 7.194 1.00 0.00 C ATOM 289 CD PRO A 19 0.552 -10.742 7.483 1.00 0.00 C ATOM 0 HA PRO A 19 1.259 -10.984 4.316 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.031 -13.241 5.360 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.648 -12.800 5.871 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.984 -12.225 7.230 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.498 -12.845 7.931 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.130 -10.230 8.162 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.539 -10.720 7.945 1.00 0.00 H new ATOM 297 N VAL A 20 -0.935 -11.684 3.221 1.00 0.00 N ATOM 298 CA VAL A 20 -2.192 -11.776 2.511 1.00 0.00 C ATOM 299 C VAL A 20 -3.186 -12.537 3.392 1.00 0.00 C ATOM 300 O VAL A 20 -4.372 -12.220 3.455 1.00 0.00 O ATOM 301 CB VAL A 20 -2.013 -12.524 1.170 1.00 0.00 C ATOM 302 CG1 VAL A 20 -3.346 -12.733 0.473 1.00 0.00 C ATOM 303 CG2 VAL A 20 -1.040 -11.781 0.271 1.00 0.00 C ATOM 0 H VAL A 20 -0.148 -12.126 2.746 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.559 -10.773 2.294 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.597 -13.508 1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.186 -13.262 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.003 -13.322 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.807 -11.766 0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.927 -12.322 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.422 -10.780 0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.072 -11.706 0.766 1.00 0.00 H new ATOM 313 N THR A 21 -2.654 -13.518 4.096 1.00 0.00 N ATOM 314 CA THR A 21 -3.424 -14.382 4.971 1.00 0.00 C ATOM 315 C THR A 21 -3.566 -13.747 6.380 1.00 0.00 C ATOM 316 O THR A 21 -3.815 -14.441 7.370 1.00 0.00 O ATOM 317 CB THR A 21 -2.709 -15.743 5.096 1.00 0.00 C ATOM 318 OG1 THR A 21 -2.123 -16.083 3.828 1.00 0.00 O ATOM 319 CG2 THR A 21 -3.686 -16.841 5.504 1.00 0.00 C ATOM 0 H THR A 21 -1.659 -13.741 4.076 1.00 0.00 H new ATOM 0 HA THR A 21 -4.419 -14.517 4.546 1.00 0.00 H new ATOM 0 HB THR A 21 -1.940 -15.661 5.864 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.665 -16.946 3.900 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.155 -17.789 5.585 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.132 -16.592 6.467 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.471 -16.927 4.752 1.00 0.00 H new ATOM 327 N ALA A 22 -3.426 -12.424 6.448 1.00 0.00 N ATOM 328 CA ALA A 22 -3.466 -11.688 7.715 1.00 0.00 C ATOM 329 C ALA A 22 -4.781 -11.827 8.460 1.00 0.00 C ATOM 330 O ALA A 22 -5.855 -11.958 7.863 1.00 0.00 O ATOM 331 CB ALA A 22 -3.177 -10.221 7.485 1.00 0.00 C ATOM 0 H ALA A 22 -3.282 -11.832 5.630 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.694 -12.136 8.341 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.211 -9.690 8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.187 -10.110 7.043 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.925 -9.804 6.810 1.00 0.00 H new ATOM 337 N THR A 23 -4.672 -11.794 9.765 1.00 0.00 N ATOM 338 CA THR A 23 -5.802 -11.841 10.655 1.00 0.00 C ATOM 339 C THR A 23 -6.033 -10.457 11.259 1.00 0.00 C ATOM 340 O THR A 23 -5.177 -9.575 11.140 1.00 0.00 O ATOM 341 CB THR A 23 -5.572 -12.867 11.783 1.00 0.00 C ATOM 342 OG1 THR A 23 -4.355 -12.555 12.478 1.00 0.00 O ATOM 343 CG2 THR A 23 -5.494 -14.280 11.224 1.00 0.00 C ATOM 0 H THR A 23 -3.775 -11.732 10.247 1.00 0.00 H new ATOM 0 HA THR A 23 -6.679 -12.147 10.085 1.00 0.00 H new ATOM 0 HB THR A 23 -6.414 -12.815 12.473 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.589 -12.869 11.954 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.331 -14.985 12.039 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.427 -14.522 10.715 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.667 -14.346 10.517 1.00 0.00 H new ATOM 351 N ASP A 24 -7.164 -10.280 11.929 1.00 0.00 N ATOM 352 CA ASP A 24 -7.536 -8.993 12.523 1.00 0.00 C ATOM 353 C ASP A 24 -6.485 -8.496 13.497 1.00 0.00 C ATOM 354 O ASP A 24 -6.191 -7.311 13.535 1.00 0.00 O ATOM 355 CB ASP A 24 -8.869 -9.119 13.258 1.00 0.00 C ATOM 356 CG ASP A 24 -10.045 -9.317 12.333 1.00 0.00 C ATOM 357 OD1 ASP A 24 -10.899 -8.416 12.258 1.00 0.00 O ATOM 358 OD2 ASP A 24 -10.123 -10.384 11.689 1.00 0.00 O ATOM 0 H ASP A 24 -7.851 -11.019 12.078 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.620 -8.274 11.708 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.816 -9.958 13.951 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.033 -8.222 13.855 1.00 0.00 H new ATOM 363 N VAL A 25 -5.901 -9.403 14.265 1.00 0.00 N ATOM 364 CA VAL A 25 -4.907 -9.034 15.271 1.00 0.00 C ATOM 365 C VAL A 25 -3.675 -8.412 14.606 1.00 0.00 C ATOM 366 O VAL A 25 -3.156 -7.379 15.051 1.00 0.00 O ATOM 367 CB VAL A 25 -4.475 -10.268 16.095 1.00 0.00 C ATOM 368 CG1 VAL A 25 -3.327 -9.931 17.036 1.00 0.00 C ATOM 369 CG2 VAL A 25 -5.653 -10.837 16.864 1.00 0.00 C ATOM 0 H VAL A 25 -6.096 -10.403 14.213 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.364 -8.303 15.938 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.120 -11.027 15.398 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.047 -10.820 17.601 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.471 -9.585 16.457 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.640 -9.147 17.725 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.328 -11.705 17.438 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.045 -10.079 17.543 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.434 -11.136 16.165 1.00 0.00 H new ATOM 379 N GLU A 26 -3.240 -9.036 13.522 1.00 0.00 N ATOM 380 CA GLU A 26 -2.075 -8.584 12.771 1.00 0.00 C ATOM 381 C GLU A 26 -2.374 -7.243 12.151 1.00 0.00 C ATOM 382 O GLU A 26 -1.533 -6.349 12.110 1.00 0.00 O ATOM 383 CB GLU A 26 -1.754 -9.604 11.688 1.00 0.00 C ATOM 384 CG GLU A 26 -1.308 -10.941 12.241 1.00 0.00 C ATOM 385 CD GLU A 26 -1.239 -12.007 11.182 1.00 0.00 C ATOM 386 OE1 GLU A 26 -0.123 -12.376 10.770 1.00 0.00 O ATOM 387 OE2 GLU A 26 -2.304 -12.492 10.766 1.00 0.00 O ATOM 0 H GLU A 26 -3.683 -9.870 13.137 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.216 -8.485 13.435 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.636 -9.752 11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.971 -9.205 11.043 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.328 -10.830 12.705 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.998 -11.255 13.024 1.00 0.00 H new ATOM 394 N ILE A 27 -3.590 -7.124 11.692 1.00 0.00 N ATOM 395 CA ILE A 27 -4.095 -5.928 11.077 1.00 0.00 C ATOM 396 C ILE A 27 -4.126 -4.764 12.074 1.00 0.00 C ATOM 397 O ILE A 27 -3.757 -3.640 11.735 1.00 0.00 O ATOM 398 CB ILE A 27 -5.498 -6.196 10.480 1.00 0.00 C ATOM 399 CG1 ILE A 27 -5.360 -7.145 9.282 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.180 -4.894 10.062 1.00 0.00 C ATOM 401 CD1 ILE A 27 -6.668 -7.711 8.789 1.00 0.00 C ATOM 0 H ILE A 27 -4.276 -7.878 11.737 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.424 -5.640 10.268 1.00 0.00 H new ATOM 0 HB ILE A 27 -6.125 -6.660 11.242 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.876 -6.611 8.464 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.702 -7.969 9.559 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.163 -5.115 9.647 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.291 -4.246 10.931 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.573 -4.391 9.309 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.483 -8.371 7.942 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -7.146 -8.275 9.590 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.323 -6.897 8.478 1.00 0.00 H new ATOM 413 N LYS A 28 -4.547 -5.048 13.311 1.00 0.00 N ATOM 414 CA LYS A 28 -4.635 -4.016 14.346 1.00 0.00 C ATOM 415 C LYS A 28 -3.267 -3.423 14.622 1.00 0.00 C ATOM 416 O LYS A 28 -3.101 -2.204 14.660 1.00 0.00 O ATOM 417 CB LYS A 28 -5.157 -4.607 15.670 1.00 0.00 C ATOM 418 CG LYS A 28 -6.544 -5.217 15.621 1.00 0.00 C ATOM 419 CD LYS A 28 -7.597 -4.203 15.262 1.00 0.00 C ATOM 420 CE LYS A 28 -8.977 -4.825 15.298 1.00 0.00 C ATOM 421 NZ LYS A 28 -10.033 -3.856 14.932 1.00 0.00 N ATOM 0 H LYS A 28 -4.830 -5.979 13.617 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.319 -3.251 13.979 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.456 -5.372 16.005 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.154 -3.819 16.423 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.558 -6.027 14.891 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.780 -5.657 16.590 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.553 -3.365 15.957 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.399 -3.803 14.267 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.010 -5.673 14.614 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.173 -5.214 16.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.819 -3.927 15.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.643 -2.892 14.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.381 -4.067 13.975 1.00 0.00 H new ATOM 435 N LYS A 29 -2.287 -4.294 14.797 1.00 0.00 N ATOM 436 CA LYS A 29 -0.949 -3.852 15.121 1.00 0.00 C ATOM 437 C LYS A 29 -0.253 -3.206 13.951 1.00 0.00 C ATOM 438 O LYS A 29 0.468 -2.241 14.125 1.00 0.00 O ATOM 439 CB LYS A 29 -0.111 -4.969 15.734 1.00 0.00 C ATOM 440 CG LYS A 29 0.069 -6.192 14.862 1.00 0.00 C ATOM 441 CD LYS A 29 0.954 -7.207 15.565 1.00 0.00 C ATOM 442 CE LYS A 29 1.174 -8.454 14.734 1.00 0.00 C ATOM 443 NZ LYS A 29 2.061 -9.416 15.425 1.00 0.00 N ATOM 0 H LYS A 29 -2.396 -5.305 14.720 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.058 -3.078 15.881 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.873 -4.570 15.980 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.574 -5.276 16.672 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.901 -6.636 14.640 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.515 -5.907 13.909 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.917 -6.750 15.792 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.500 -7.483 16.517 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.215 -8.927 14.525 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.610 -8.180 13.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.191 -10.258 14.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.984 -8.971 15.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.632 -9.695 16.330 1.00 0.00 H new ATOM 457 N ALA A 30 -0.461 -3.731 12.767 1.00 0.00 N ATOM 458 CA ALA A 30 0.105 -3.145 11.578 1.00 0.00 C ATOM 459 C ALA A 30 -0.448 -1.759 11.366 1.00 0.00 C ATOM 460 O ALA A 30 0.285 -0.832 11.033 1.00 0.00 O ATOM 461 CB ALA A 30 -0.171 -4.011 10.381 1.00 0.00 C ATOM 0 H ALA A 30 -1.021 -4.567 12.602 1.00 0.00 H new ATOM 0 HA ALA A 30 1.185 -3.073 11.706 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.264 -3.553 9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.271 -4.996 10.535 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.248 -4.113 10.247 1.00 0.00 H new ATOM 467 N TYR A 31 -1.749 -1.617 11.576 1.00 0.00 N ATOM 468 CA TYR A 31 -2.393 -0.335 11.467 1.00 0.00 C ATOM 469 C TYR A 31 -1.849 0.632 12.490 1.00 0.00 C ATOM 470 O TYR A 31 -1.460 1.747 12.151 1.00 0.00 O ATOM 471 CB TYR A 31 -3.909 -0.470 11.617 1.00 0.00 C ATOM 472 CG TYR A 31 -4.616 0.853 11.822 1.00 0.00 C ATOM 473 CD1 TYR A 31 -4.708 1.792 10.803 1.00 0.00 C ATOM 474 CD2 TYR A 31 -5.188 1.159 13.048 1.00 0.00 C ATOM 475 CE1 TYR A 31 -5.353 2.999 11.007 1.00 0.00 C ATOM 476 CE2 TYR A 31 -5.831 2.357 13.256 1.00 0.00 C ATOM 477 CZ TYR A 31 -5.911 3.274 12.237 1.00 0.00 C ATOM 478 OH TYR A 31 -6.557 4.471 12.447 1.00 0.00 O ATOM 0 H TYR A 31 -2.374 -2.384 11.824 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.179 0.060 10.474 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.312 -0.954 10.728 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.126 -1.123 12.462 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.271 1.577 9.839 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.127 0.443 13.854 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.419 3.722 10.207 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.271 2.576 14.218 1.00 0.00 H new ATOM 0 HH TYR A 31 -6.893 4.504 13.367 1.00 0.00 H new ATOM 488 N ARG A 32 -1.807 0.204 13.744 1.00 0.00 N ATOM 489 CA ARG A 32 -1.339 1.089 14.780 1.00 0.00 C ATOM 490 C ARG A 32 0.139 1.390 14.679 1.00 0.00 C ATOM 491 O ARG A 32 0.545 2.496 14.962 1.00 0.00 O ATOM 492 CB ARG A 32 -1.752 0.662 16.188 1.00 0.00 C ATOM 493 CG ARG A 32 -1.250 -0.679 16.626 1.00 0.00 C ATOM 494 CD ARG A 32 -1.717 -0.983 18.034 1.00 0.00 C ATOM 495 NE ARG A 32 -3.183 -1.029 18.116 1.00 0.00 N ATOM 496 CZ ARG A 32 -3.878 -1.105 19.256 1.00 0.00 C ATOM 497 NH1 ARG A 32 -3.248 -1.179 20.420 1.00 0.00 N ATOM 498 NH2 ARG A 32 -5.204 -1.107 19.225 1.00 0.00 N ATOM 0 H ARG A 32 -2.085 -0.727 14.055 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.857 2.030 14.597 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.398 1.412 16.895 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.841 0.660 16.244 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.608 -1.449 15.943 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.161 -0.698 16.585 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.303 -1.938 18.358 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.337 -0.223 18.717 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.708 -1.001 17.242 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.228 -1.178 20.449 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.783 -1.237 21.287 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.693 -1.051 18.332 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.734 -1.165 20.094 1.00 0.00 H new ATOM 512 N LYS A 33 0.955 0.429 14.251 1.00 0.00 N ATOM 513 CA LYS A 33 2.370 0.724 14.099 1.00 0.00 C ATOM 514 C LYS A 33 2.545 1.681 12.950 1.00 0.00 C ATOM 515 O LYS A 33 3.257 2.641 13.065 1.00 0.00 O ATOM 516 CB LYS A 33 3.239 -0.541 13.895 1.00 0.00 C ATOM 517 CG LYS A 33 3.142 -1.170 12.518 1.00 0.00 C ATOM 518 CD LYS A 33 4.016 -2.411 12.405 1.00 0.00 C ATOM 519 CE LYS A 33 3.937 -3.025 11.013 1.00 0.00 C ATOM 520 NZ LYS A 33 4.796 -4.228 10.891 1.00 0.00 N ATOM 0 H LYS A 33 0.673 -0.522 14.013 1.00 0.00 H new ATOM 0 HA LYS A 33 2.718 1.176 15.028 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.280 -0.283 14.088 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.952 -1.284 14.639 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.105 -1.435 12.311 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.442 -0.443 11.763 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.050 -2.151 12.631 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.703 -3.146 13.146 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.904 -3.293 10.792 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.240 -2.285 10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.715 -4.617 9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.786 -3.968 11.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.491 -4.944 11.581 1.00 0.00 H new ATOM 534 N CYS A 34 1.833 1.447 11.858 1.00 0.00 N ATOM 535 CA CYS A 34 1.943 2.323 10.706 1.00 0.00 C ATOM 536 C CYS A 34 1.502 3.735 11.068 1.00 0.00 C ATOM 537 O CYS A 34 2.202 4.713 10.775 1.00 0.00 O ATOM 538 CB CYS A 34 1.120 1.797 9.532 1.00 0.00 C ATOM 539 SG CYS A 34 1.260 2.799 8.031 1.00 0.00 S ATOM 0 H CYS A 34 1.182 0.669 11.747 1.00 0.00 H new ATOM 0 HA CYS A 34 2.989 2.347 10.402 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.435 0.778 9.308 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.072 1.748 9.828 1.00 0.00 H new ATOM 0 HG CYS A 34 0.903 2.090 7.001 1.00 0.00 H new ATOM 545 N ALA A 35 0.345 3.836 11.711 1.00 0.00 N ATOM 546 CA ALA A 35 -0.190 5.120 12.116 1.00 0.00 C ATOM 547 C ALA A 35 0.708 5.806 13.147 1.00 0.00 C ATOM 548 O ALA A 35 1.042 6.953 12.998 1.00 0.00 O ATOM 549 CB ALA A 35 -1.594 4.947 12.676 1.00 0.00 C ATOM 0 H ALA A 35 -0.239 3.038 11.962 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.229 5.758 11.233 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.988 5.918 12.978 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.240 4.515 11.912 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.562 4.284 13.541 1.00 0.00 H new ATOM 555 N LEU A 36 1.117 5.073 14.175 1.00 0.00 N ATOM 556 CA LEU A 36 1.966 5.639 15.222 1.00 0.00 C ATOM 557 C LEU A 36 3.326 6.053 14.676 1.00 0.00 C ATOM 558 O LEU A 36 3.864 7.092 15.046 1.00 0.00 O ATOM 559 CB LEU A 36 2.147 4.657 16.385 1.00 0.00 C ATOM 560 CG LEU A 36 0.898 4.364 17.231 1.00 0.00 C ATOM 561 CD1 LEU A 36 1.200 3.299 18.274 1.00 0.00 C ATOM 562 CD2 LEU A 36 0.388 5.634 17.895 1.00 0.00 C ATOM 0 H LEU A 36 0.878 4.090 14.308 1.00 0.00 H new ATOM 0 HA LEU A 36 1.459 6.529 15.594 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.516 3.714 15.982 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.923 5.047 17.044 1.00 0.00 H new ATOM 0 HG LEU A 36 0.117 3.988 16.570 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.305 3.104 18.864 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.514 2.381 17.777 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.998 3.648 18.930 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.497 5.404 18.489 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.164 6.043 18.543 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.131 6.367 17.130 1.00 0.00 H new ATOM 574 N LYS A 37 3.873 5.240 13.808 1.00 0.00 N ATOM 575 CA LYS A 37 5.176 5.505 13.225 1.00 0.00 C ATOM 576 C LYS A 37 5.174 6.720 12.277 1.00 0.00 C ATOM 577 O LYS A 37 6.119 7.499 12.279 1.00 0.00 O ATOM 578 CB LYS A 37 5.681 4.261 12.491 1.00 0.00 C ATOM 579 CG LYS A 37 6.047 3.104 13.419 1.00 0.00 C ATOM 580 CD LYS A 37 6.290 1.826 12.641 1.00 0.00 C ATOM 581 CE LYS A 37 7.497 1.953 11.728 1.00 0.00 C ATOM 582 NZ LYS A 37 7.750 0.714 10.968 1.00 0.00 N ATOM 0 H LYS A 37 3.435 4.378 13.483 1.00 0.00 H new ATOM 0 HA LYS A 37 5.850 5.750 14.046 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.914 3.926 11.793 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.556 4.530 11.899 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.941 3.361 13.988 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.245 2.946 14.140 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.442 0.999 13.335 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.407 1.586 12.048 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.341 2.778 11.033 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.377 2.199 12.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.582 0.845 10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.925 -0.069 11.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.921 0.492 10.380 1.00 0.00 H new ATOM 596 N TYR A 38 4.118 6.868 11.460 1.00 0.00 N ATOM 597 CA TYR A 38 4.074 7.946 10.451 1.00 0.00 C ATOM 598 C TYR A 38 2.902 8.933 10.603 1.00 0.00 C ATOM 599 O TYR A 38 2.570 9.640 9.660 1.00 0.00 O ATOM 600 CB TYR A 38 4.080 7.322 9.056 1.00 0.00 C ATOM 601 CG TYR A 38 5.385 6.624 8.727 1.00 0.00 C ATOM 602 CD1 TYR A 38 5.582 5.283 9.043 1.00 0.00 C ATOM 603 CD2 TYR A 38 6.426 7.309 8.111 1.00 0.00 C ATOM 604 CE1 TYR A 38 6.776 4.648 8.754 1.00 0.00 C ATOM 605 CE2 TYR A 38 7.621 6.681 7.818 1.00 0.00 C ATOM 606 CZ TYR A 38 7.791 5.352 8.142 1.00 0.00 C ATOM 607 OH TYR A 38 8.983 4.723 7.851 1.00 0.00 O ATOM 0 H TYR A 38 3.294 6.267 11.475 1.00 0.00 H new ATOM 0 HA TYR A 38 4.964 8.554 10.611 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.262 6.606 8.980 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.893 8.099 8.315 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.789 4.729 9.522 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.298 8.351 7.857 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.912 3.607 9.006 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.418 7.229 7.337 1.00 0.00 H new ATOM 0 HH TYR A 38 9.592 5.359 7.420 1.00 0.00 H new ATOM 617 N HIS A 39 2.297 8.997 11.773 1.00 0.00 N ATOM 618 CA HIS A 39 1.189 9.946 12.008 1.00 0.00 C ATOM 619 C HIS A 39 1.647 11.403 11.846 1.00 0.00 C ATOM 620 O HIS A 39 2.738 11.765 12.275 1.00 0.00 O ATOM 621 CB HIS A 39 0.567 9.728 13.399 1.00 0.00 C ATOM 622 CG HIS A 39 1.523 9.862 14.553 1.00 0.00 C ATOM 623 ND1 HIS A 39 1.111 10.021 15.852 1.00 0.00 N ATOM 624 CD2 HIS A 39 2.876 9.797 14.599 1.00 0.00 C ATOM 625 CE1 HIS A 39 2.162 10.043 16.647 1.00 0.00 C ATOM 626 NE2 HIS A 39 3.247 9.902 15.913 1.00 0.00 N ATOM 0 H HIS A 39 2.539 8.417 12.577 1.00 0.00 H new ATOM 0 HA HIS A 39 0.428 9.751 11.252 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.244 10.444 13.534 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.122 8.733 13.429 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.141 10.109 16.156 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.540 9.683 13.755 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.138 10.157 17.721 1.00 0.00 H new ATOM 634 N PRO A 40 0.784 12.257 11.263 1.00 0.00 N ATOM 635 CA PRO A 40 1.109 13.668 10.958 1.00 0.00 C ATOM 636 C PRO A 40 1.390 14.547 12.191 1.00 0.00 C ATOM 637 O PRO A 40 2.017 15.599 12.072 1.00 0.00 O ATOM 638 CB PRO A 40 -0.134 14.171 10.211 1.00 0.00 C ATOM 639 CG PRO A 40 -1.226 13.253 10.633 1.00 0.00 C ATOM 640 CD PRO A 40 -0.581 11.911 10.818 1.00 0.00 C ATOM 0 HA PRO A 40 2.036 13.728 10.389 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.362 15.204 10.473 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.014 14.141 9.131 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.689 13.595 11.558 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.013 13.209 9.880 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.107 11.309 11.559 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.570 11.337 9.891 1.00 0.00 H new ATOM 648 N ASP A 41 0.936 14.124 13.367 1.00 0.00 N ATOM 649 CA ASP A 41 1.152 14.918 14.590 1.00 0.00 C ATOM 650 C ASP A 41 2.580 14.810 15.116 1.00 0.00 C ATOM 651 O ASP A 41 2.961 15.517 16.050 1.00 0.00 O ATOM 652 CB ASP A 41 0.138 14.583 15.684 1.00 0.00 C ATOM 653 CG ASP A 41 -1.265 15.019 15.317 1.00 0.00 C ATOM 654 OD1 ASP A 41 -1.430 16.161 14.831 1.00 0.00 O ATOM 655 OD2 ASP A 41 -2.206 14.224 15.503 1.00 0.00 O ATOM 0 H ASP A 41 0.424 13.253 13.507 1.00 0.00 H new ATOM 0 HA ASP A 41 0.994 15.957 14.301 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.146 13.509 15.868 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.436 15.068 16.614 1.00 0.00 H new ATOM 660 N LYS A 42 3.363 13.924 14.520 1.00 0.00 N ATOM 661 CA LYS A 42 4.770 13.781 14.876 1.00 0.00 C ATOM 662 C LYS A 42 5.628 13.661 13.626 1.00 0.00 C ATOM 663 O LYS A 42 6.830 13.907 13.655 1.00 0.00 O ATOM 664 CB LYS A 42 5.008 12.605 15.820 1.00 0.00 C ATOM 665 CG LYS A 42 4.483 12.840 17.224 1.00 0.00 C ATOM 666 CD LYS A 42 4.825 11.686 18.152 1.00 0.00 C ATOM 667 CE LYS A 42 6.323 11.609 18.414 1.00 0.00 C ATOM 668 NZ LYS A 42 6.673 10.497 19.329 1.00 0.00 N ATOM 0 H LYS A 42 3.049 13.290 13.785 1.00 0.00 H new ATOM 0 HA LYS A 42 5.064 14.683 15.413 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.532 11.716 15.407 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.077 12.400 15.870 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.905 13.763 17.621 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.402 12.972 17.191 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.295 11.807 19.097 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.482 10.749 17.712 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.850 11.479 17.469 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.664 12.551 18.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.702 10.482 19.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.192 10.633 20.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.371 9.594 18.910 1.00 0.00 H new ATOM 682 N ASN A 43 4.997 13.265 12.537 1.00 0.00 N ATOM 683 CA ASN A 43 5.653 13.158 11.253 1.00 0.00 C ATOM 684 C ASN A 43 5.019 14.147 10.290 1.00 0.00 C ATOM 685 O ASN A 43 3.912 13.929 9.807 1.00 0.00 O ATOM 686 CB ASN A 43 5.523 11.733 10.723 1.00 0.00 C ATOM 687 CG ASN A 43 6.169 10.728 11.636 1.00 0.00 C ATOM 688 OD1 ASN A 43 5.379 10.143 12.500 1.00 0.00 O flip ATOM 689 ND2 ASN A 43 7.375 10.489 11.567 1.00 0.00 N flip ATOM 0 H ASN A 43 4.010 13.008 12.521 1.00 0.00 H new ATOM 0 HA ASN A 43 6.713 13.389 11.356 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.468 11.487 10.602 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.980 11.671 9.735 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.952 10.970 10.877 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.797 9.810 12.200 1.00 0.00 H new ATOM 696 N PRO A 44 5.707 15.259 10.018 1.00 0.00 N ATOM 697 CA PRO A 44 5.183 16.337 9.166 1.00 0.00 C ATOM 698 C PRO A 44 5.169 16.003 7.674 1.00 0.00 C ATOM 699 O PRO A 44 4.474 16.665 6.896 1.00 0.00 O ATOM 700 CB PRO A 44 6.142 17.491 9.443 1.00 0.00 C ATOM 701 CG PRO A 44 7.427 16.828 9.790 1.00 0.00 C ATOM 702 CD PRO A 44 7.061 15.571 10.528 1.00 0.00 C ATOM 0 HA PRO A 44 4.138 16.546 9.396 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.250 18.136 8.571 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.785 18.117 10.260 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.003 16.600 8.893 1.00 0.00 H new ATOM 0 HG3 PRO A 44 8.046 17.477 10.409 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.764 14.764 10.322 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.059 15.724 11.607 1.00 0.00 H new ATOM 710 N SER A 45 5.923 14.984 7.280 1.00 0.00 N ATOM 711 CA SER A 45 6.059 14.637 5.880 1.00 0.00 C ATOM 712 C SER A 45 4.737 14.247 5.269 1.00 0.00 C ATOM 713 O SER A 45 3.900 13.583 5.895 1.00 0.00 O ATOM 714 CB SER A 45 7.019 13.501 5.710 1.00 0.00 C ATOM 715 OG SER A 45 8.223 13.735 6.427 1.00 0.00 O ATOM 0 H SER A 45 6.449 14.385 7.916 1.00 0.00 H new ATOM 0 HA SER A 45 6.435 15.524 5.370 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.558 12.577 6.059 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.243 13.366 4.652 1.00 0.00 H new ATOM 0 HG SER A 45 8.832 12.977 6.300 1.00 0.00 H new ATOM 721 N GLU A 46 4.567 14.666 4.052 1.00 0.00 N ATOM 722 CA GLU A 46 3.379 14.368 3.283 1.00 0.00 C ATOM 723 C GLU A 46 3.246 12.878 3.090 1.00 0.00 C ATOM 724 O GLU A 46 2.176 12.327 3.235 1.00 0.00 O ATOM 725 CB GLU A 46 3.446 15.049 1.919 1.00 0.00 C ATOM 726 CG GLU A 46 3.361 16.559 1.971 1.00 0.00 C ATOM 727 CD GLU A 46 3.510 17.188 0.605 1.00 0.00 C ATOM 728 OE1 GLU A 46 2.484 17.549 -0.001 1.00 0.00 O ATOM 729 OE2 GLU A 46 4.662 17.322 0.130 1.00 0.00 O ATOM 0 H GLU A 46 5.253 15.232 3.552 1.00 0.00 H new ATOM 0 HA GLU A 46 2.513 14.742 3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.378 14.766 1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.633 14.672 1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.404 16.852 2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.138 16.942 2.632 1.00 0.00 H new ATOM 736 N GLU A 47 4.368 12.240 2.818 1.00 0.00 N ATOM 737 CA GLU A 47 4.422 10.808 2.572 1.00 0.00 C ATOM 738 C GLU A 47 3.958 10.040 3.787 1.00 0.00 C ATOM 739 O GLU A 47 3.260 9.037 3.675 1.00 0.00 O ATOM 740 CB GLU A 47 5.843 10.411 2.273 1.00 0.00 C ATOM 741 CG GLU A 47 6.393 11.006 0.997 1.00 0.00 C ATOM 742 CD GLU A 47 7.804 10.561 0.720 1.00 0.00 C ATOM 743 OE1 GLU A 47 8.051 10.018 -0.377 1.00 0.00 O ATOM 744 OE2 GLU A 47 8.670 10.726 1.603 1.00 0.00 O ATOM 0 H GLU A 47 5.275 12.702 2.761 1.00 0.00 H new ATOM 0 HA GLU A 47 3.770 10.577 1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.477 10.715 3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.900 9.324 2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.754 10.721 0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.364 12.094 1.064 1.00 0.00 H new ATOM 751 N ALA A 48 4.361 10.516 4.947 1.00 0.00 N ATOM 752 CA ALA A 48 3.992 9.883 6.200 1.00 0.00 C ATOM 753 C ALA A 48 2.501 9.935 6.368 1.00 0.00 C ATOM 754 O ALA A 48 1.856 8.957 6.755 1.00 0.00 O ATOM 755 CB ALA A 48 4.695 10.564 7.362 1.00 0.00 C ATOM 0 H ALA A 48 4.948 11.344 5.050 1.00 0.00 H new ATOM 0 HA ALA A 48 4.306 8.839 6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.409 10.079 8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.774 10.488 7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.407 11.615 7.396 1.00 0.00 H new ATOM 761 N ALA A 49 1.970 11.073 6.042 1.00 0.00 N ATOM 762 CA ALA A 49 0.535 11.308 6.078 1.00 0.00 C ATOM 763 C ALA A 49 -0.181 10.421 5.062 1.00 0.00 C ATOM 764 O ALA A 49 -1.262 9.885 5.335 1.00 0.00 O ATOM 765 CB ALA A 49 0.229 12.777 5.827 1.00 0.00 C ATOM 0 H ALA A 49 2.514 11.881 5.739 1.00 0.00 H new ATOM 0 HA ALA A 49 0.167 11.049 7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.849 12.934 5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.706 13.385 6.596 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.610 13.066 4.848 1.00 0.00 H new ATOM 771 N GLU A 50 0.438 10.269 3.889 1.00 0.00 N ATOM 772 CA GLU A 50 -0.110 9.435 2.823 1.00 0.00 C ATOM 773 C GLU A 50 -0.218 8.007 3.318 1.00 0.00 C ATOM 774 O GLU A 50 -1.230 7.328 3.115 1.00 0.00 O ATOM 775 CB GLU A 50 0.823 9.462 1.605 1.00 0.00 C ATOM 776 CG GLU A 50 1.040 10.843 1.026 1.00 0.00 C ATOM 777 CD GLU A 50 1.820 10.824 -0.272 1.00 0.00 C ATOM 778 OE1 GLU A 50 1.352 10.194 -1.242 1.00 0.00 O ATOM 779 OE2 GLU A 50 2.896 11.463 -0.340 1.00 0.00 O ATOM 0 H GLU A 50 1.324 10.717 3.655 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.091 9.816 2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.788 9.043 1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.411 8.815 0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.073 11.316 0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.571 11.457 1.754 1.00 0.00 H new ATOM 786 N LYS A 51 0.826 7.580 4.000 1.00 0.00 N ATOM 787 CA LYS A 51 0.890 6.251 4.579 1.00 0.00 C ATOM 788 C LYS A 51 -0.183 6.064 5.630 1.00 0.00 C ATOM 789 O LYS A 51 -0.816 5.015 5.699 1.00 0.00 O ATOM 790 CB LYS A 51 2.250 6.026 5.209 1.00 0.00 C ATOM 791 CG LYS A 51 3.377 5.889 4.213 1.00 0.00 C ATOM 792 CD LYS A 51 4.713 5.839 4.919 1.00 0.00 C ATOM 793 CE LYS A 51 4.808 4.636 5.854 1.00 0.00 C ATOM 794 NZ LYS A 51 4.689 3.341 5.125 1.00 0.00 N ATOM 0 H LYS A 51 1.657 8.146 4.169 1.00 0.00 H new ATOM 0 HA LYS A 51 0.728 5.527 3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.470 6.858 5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.210 5.126 5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.238 4.983 3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.359 6.729 3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.514 5.792 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.859 6.756 5.489 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.760 4.665 6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.022 4.700 6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.943 2.559 5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.710 3.216 4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.331 3.343 4.307 1.00 0.00 H new ATOM 808 N PHE A 52 -0.385 7.090 6.446 1.00 0.00 N ATOM 809 CA PHE A 52 -1.395 7.048 7.483 1.00 0.00 C ATOM 810 C PHE A 52 -2.776 6.838 6.866 1.00 0.00 C ATOM 811 O PHE A 52 -3.539 5.969 7.302 1.00 0.00 O ATOM 812 CB PHE A 52 -1.391 8.350 8.300 1.00 0.00 C ATOM 813 CG PHE A 52 -2.407 8.360 9.423 1.00 0.00 C ATOM 814 CD1 PHE A 52 -2.029 8.084 10.723 1.00 0.00 C ATOM 815 CD2 PHE A 52 -3.751 8.619 9.162 1.00 0.00 C ATOM 816 CE1 PHE A 52 -2.964 8.069 11.742 1.00 0.00 C ATOM 817 CE2 PHE A 52 -4.685 8.604 10.174 1.00 0.00 C ATOM 818 CZ PHE A 52 -4.292 8.328 11.465 1.00 0.00 C ATOM 0 H PHE A 52 0.142 7.962 6.406 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.165 6.215 8.147 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.397 8.504 8.719 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.590 9.189 7.633 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.993 7.878 10.946 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.065 8.835 8.151 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.656 7.855 12.755 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.723 8.808 9.956 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.022 8.314 12.261 1.00 0.00 H new ATOM 828 N LYS A 53 -3.090 7.635 5.850 1.00 0.00 N ATOM 829 CA LYS A 53 -4.393 7.570 5.198 1.00 0.00 C ATOM 830 C LYS A 53 -4.636 6.205 4.574 1.00 0.00 C ATOM 831 O LYS A 53 -5.710 5.621 4.736 1.00 0.00 O ATOM 832 CB LYS A 53 -4.492 8.653 4.119 1.00 0.00 C ATOM 833 CG LYS A 53 -4.548 10.076 4.664 1.00 0.00 C ATOM 834 CD LYS A 53 -5.797 10.311 5.502 1.00 0.00 C ATOM 835 CE LYS A 53 -7.058 10.211 4.659 1.00 0.00 C ATOM 836 NZ LYS A 53 -8.280 10.440 5.463 1.00 0.00 N ATOM 0 H LYS A 53 -2.459 8.335 5.460 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.155 7.737 5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.634 8.565 3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.383 8.471 3.518 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.662 10.269 5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.528 10.784 3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.838 9.580 6.309 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.745 11.296 5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.013 10.941 3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.108 9.226 4.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.118 10.363 4.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.337 9.728 6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.245 11.390 5.885 1.00 0.00 H new ATOM 850 N GLU A 54 -3.636 5.690 3.895 1.00 0.00 N ATOM 851 CA GLU A 54 -3.748 4.392 3.260 1.00 0.00 C ATOM 852 C GLU A 54 -3.837 3.275 4.282 1.00 0.00 C ATOM 853 O GLU A 54 -4.583 2.315 4.097 1.00 0.00 O ATOM 854 CB GLU A 54 -2.630 4.176 2.262 1.00 0.00 C ATOM 855 CG GLU A 54 -2.740 5.124 1.088 1.00 0.00 C ATOM 856 CD GLU A 54 -1.716 4.879 0.018 1.00 0.00 C ATOM 857 OE1 GLU A 54 -0.876 5.769 -0.222 1.00 0.00 O ATOM 858 OE2 GLU A 54 -1.772 3.819 -0.622 1.00 0.00 O ATOM 0 H GLU A 54 -2.734 6.149 3.767 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.683 4.372 2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.669 4.317 2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.656 3.147 1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.736 5.036 0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.639 6.148 1.448 1.00 0.00 H new ATOM 865 N ALA A 55 -3.097 3.415 5.373 1.00 0.00 N ATOM 866 CA ALA A 55 -3.147 2.444 6.452 1.00 0.00 C ATOM 867 C ALA A 55 -4.538 2.436 7.056 1.00 0.00 C ATOM 868 O ALA A 55 -5.082 1.388 7.399 1.00 0.00 O ATOM 869 CB ALA A 55 -2.113 2.768 7.516 1.00 0.00 C ATOM 0 H ALA A 55 -2.456 4.192 5.532 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.919 1.456 6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.168 2.028 8.314 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.117 2.750 7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.310 3.759 7.925 1.00 0.00 H new ATOM 875 N SER A 56 -5.109 3.631 7.177 1.00 0.00 N ATOM 876 CA SER A 56 -6.438 3.800 7.721 1.00 0.00 C ATOM 877 C SER A 56 -7.472 3.111 6.826 1.00 0.00 C ATOM 878 O SER A 56 -8.340 2.398 7.314 1.00 0.00 O ATOM 879 CB SER A 56 -6.749 5.299 7.874 1.00 0.00 C ATOM 880 OG SER A 56 -5.838 5.912 8.777 1.00 0.00 O ATOM 0 H SER A 56 -4.658 4.503 6.899 1.00 0.00 H new ATOM 0 HA SER A 56 -6.486 3.334 8.705 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.690 5.789 6.902 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.769 5.429 8.235 1.00 0.00 H new ATOM 0 HG SER A 56 -5.002 6.119 8.309 1.00 0.00 H new ATOM 886 N ALA A 57 -7.341 3.298 5.507 1.00 0.00 N ATOM 887 CA ALA A 57 -8.245 2.667 4.539 1.00 0.00 C ATOM 888 C ALA A 57 -8.082 1.154 4.569 1.00 0.00 C ATOM 889 O ALA A 57 -9.058 0.398 4.459 1.00 0.00 O ATOM 890 CB ALA A 57 -7.990 3.207 3.140 1.00 0.00 C ATOM 0 H ALA A 57 -6.618 3.881 5.086 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.271 2.908 4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.670 2.728 2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.157 4.284 3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.960 2.997 2.851 1.00 0.00 H new ATOM 896 N ALA A 58 -6.840 0.724 4.704 1.00 0.00 N ATOM 897 CA ALA A 58 -6.509 -0.683 4.798 1.00 0.00 C ATOM 898 C ALA A 58 -7.184 -1.276 6.002 1.00 0.00 C ATOM 899 O ALA A 58 -7.792 -2.318 5.923 1.00 0.00 O ATOM 900 CB ALA A 58 -5.007 -0.861 4.908 1.00 0.00 C ATOM 0 H ALA A 58 -6.032 1.344 4.751 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.856 -1.193 3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.771 -1.923 4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.525 -0.439 4.026 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.644 -0.349 5.799 1.00 0.00 H new ATOM 906 N TYR A 59 -7.103 -0.563 7.105 1.00 0.00 N ATOM 907 CA TYR A 59 -7.763 -0.951 8.337 1.00 0.00 C ATOM 908 C TYR A 59 -9.268 -1.013 8.134 1.00 0.00 C ATOM 909 O TYR A 59 -9.936 -1.891 8.650 1.00 0.00 O ATOM 910 CB TYR A 59 -7.411 0.035 9.453 1.00 0.00 C ATOM 911 CG TYR A 59 -8.068 -0.251 10.781 1.00 0.00 C ATOM 912 CD1 TYR A 59 -7.578 -1.239 11.616 1.00 0.00 C ATOM 913 CD2 TYR A 59 -9.174 0.475 11.203 1.00 0.00 C ATOM 914 CE1 TYR A 59 -8.170 -1.500 12.831 1.00 0.00 C ATOM 915 CE2 TYR A 59 -9.772 0.217 12.420 1.00 0.00 C ATOM 916 CZ TYR A 59 -9.267 -0.771 13.229 1.00 0.00 C ATOM 917 OH TYR A 59 -9.862 -1.037 14.442 1.00 0.00 O ATOM 0 H TYR A 59 -6.575 0.307 7.174 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.415 -1.943 8.626 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.330 0.035 9.591 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.691 1.039 9.134 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.717 -1.815 11.310 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.572 1.253 10.569 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.774 -2.275 13.470 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.632 0.789 12.734 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.623 -0.433 14.573 1.00 0.00 H new ATOM 927 N GLU A 60 -9.784 -0.086 7.366 1.00 0.00 N ATOM 928 CA GLU A 60 -11.211 0.002 7.127 1.00 0.00 C ATOM 929 C GLU A 60 -11.756 -1.277 6.496 1.00 0.00 C ATOM 930 O GLU A 60 -12.820 -1.749 6.876 1.00 0.00 O ATOM 931 CB GLU A 60 -11.531 1.191 6.218 1.00 0.00 C ATOM 932 CG GLU A 60 -11.304 2.538 6.869 1.00 0.00 C ATOM 933 CD GLU A 60 -12.140 2.712 8.118 1.00 0.00 C ATOM 934 OE1 GLU A 60 -13.375 2.533 8.037 1.00 0.00 O ATOM 935 OE2 GLU A 60 -11.570 3.016 9.189 1.00 0.00 O ATOM 0 H GLU A 60 -9.233 0.628 6.889 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.692 0.142 8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.917 1.125 5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.571 1.123 5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.249 2.646 7.121 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.544 3.329 6.159 1.00 0.00 H new ATOM 942 N ILE A 61 -11.036 -1.836 5.542 1.00 0.00 N ATOM 943 CA ILE A 61 -11.498 -3.052 4.899 1.00 0.00 C ATOM 944 C ILE A 61 -10.942 -4.291 5.565 1.00 0.00 C ATOM 945 O ILE A 61 -11.671 -5.209 5.892 1.00 0.00 O ATOM 946 CB ILE A 61 -11.198 -3.064 3.381 1.00 0.00 C ATOM 947 CG1 ILE A 61 -9.721 -2.765 3.105 1.00 0.00 C ATOM 948 CG2 ILE A 61 -12.098 -2.075 2.654 1.00 0.00 C ATOM 949 CD1 ILE A 61 -9.337 -2.896 1.652 1.00 0.00 C ATOM 0 H ILE A 61 -10.145 -1.476 5.200 1.00 0.00 H new ATOM 0 HA ILE A 61 -12.581 -3.066 5.019 1.00 0.00 H new ATOM 0 HB ILE A 61 -11.408 -4.064 3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.495 -1.753 3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.106 -3.443 3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.874 -2.096 1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.141 -2.349 2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.924 -1.071 3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.277 -2.669 1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.530 -3.914 1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.926 -2.199 1.056 1.00 0.00 H new ATOM 961 N LEU A 62 -9.655 -4.297 5.771 1.00 0.00 N ATOM 962 CA LEU A 62 -8.967 -5.433 6.341 1.00 0.00 C ATOM 963 C LEU A 62 -9.400 -5.753 7.775 1.00 0.00 C ATOM 964 O LEU A 62 -9.548 -6.920 8.121 1.00 0.00 O ATOM 965 CB LEU A 62 -7.473 -5.204 6.262 1.00 0.00 C ATOM 966 CG LEU A 62 -6.908 -5.116 4.843 1.00 0.00 C ATOM 967 CD1 LEU A 62 -5.417 -4.855 4.870 1.00 0.00 C ATOM 968 CD2 LEU A 62 -7.221 -6.370 4.046 1.00 0.00 C ATOM 0 H LEU A 62 -9.045 -3.511 5.548 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.241 -6.308 5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.233 -4.281 6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.968 -6.014 6.789 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.392 -4.275 4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.039 -4.797 3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.222 -3.914 5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.915 -5.667 5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.806 -6.276 3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.781 -7.235 4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.301 -6.500 3.981 1.00 0.00 H new ATOM 980 N SER A 63 -9.627 -4.729 8.601 1.00 0.00 N ATOM 981 CA SER A 63 -10.038 -4.962 9.993 1.00 0.00 C ATOM 982 C SER A 63 -11.467 -5.505 10.063 1.00 0.00 C ATOM 983 O SER A 63 -11.991 -5.778 11.145 1.00 0.00 O ATOM 984 CB SER A 63 -9.919 -3.694 10.823 1.00 0.00 C ATOM 985 OG SER A 63 -10.127 -3.968 12.200 1.00 0.00 O ATOM 0 H SER A 63 -9.536 -3.747 8.340 1.00 0.00 H new ATOM 0 HA SER A 63 -9.363 -5.710 10.409 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.932 -3.253 10.681 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.648 -2.960 10.480 1.00 0.00 H new ATOM 0 HG SER A 63 -10.870 -4.599 12.299 1.00 0.00 H new ATOM 991 N ASP A 64 -12.088 -5.632 8.914 1.00 0.00 N ATOM 992 CA ASP A 64 -13.411 -6.188 8.811 1.00 0.00 C ATOM 993 C ASP A 64 -13.343 -7.405 7.930 1.00 0.00 C ATOM 994 O ASP A 64 -13.268 -7.294 6.735 1.00 0.00 O ATOM 995 CB ASP A 64 -14.430 -5.166 8.283 1.00 0.00 C ATOM 996 CG ASP A 64 -14.816 -4.121 9.318 1.00 0.00 C ATOM 997 OD1 ASP A 64 -14.077 -3.124 9.488 1.00 0.00 O ATOM 998 OD2 ASP A 64 -15.876 -4.283 9.962 1.00 0.00 O ATOM 0 H ASP A 64 -11.685 -5.350 8.021 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.760 -6.469 9.805 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.015 -4.666 7.408 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.326 -5.692 7.954 1.00 0.00 H new ATOM 1003 N PRO A 65 -13.370 -8.586 8.536 1.00 0.00 N ATOM 1004 CA PRO A 65 -13.170 -9.877 7.844 1.00 0.00 C ATOM 1005 C PRO A 65 -14.026 -10.045 6.595 1.00 0.00 C ATOM 1006 O PRO A 65 -13.582 -10.628 5.612 1.00 0.00 O ATOM 1007 CB PRO A 65 -13.576 -10.887 8.902 1.00 0.00 C ATOM 1008 CG PRO A 65 -13.255 -10.210 10.181 1.00 0.00 C ATOM 1009 CD PRO A 65 -13.585 -8.768 9.970 1.00 0.00 C ATOM 0 HA PRO A 65 -12.148 -9.980 7.478 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.636 -11.132 8.835 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.025 -11.821 8.795 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.837 -10.629 11.002 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.203 -10.337 10.438 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.613 -8.544 10.255 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.941 -8.116 10.560 1.00 0.00 H new ATOM 1017 N GLU A 66 -15.225 -9.512 6.624 1.00 0.00 N ATOM 1018 CA GLU A 66 -16.102 -9.630 5.479 1.00 0.00 C ATOM 1019 C GLU A 66 -15.594 -8.765 4.357 1.00 0.00 C ATOM 1020 O GLU A 66 -15.605 -9.158 3.201 1.00 0.00 O ATOM 1021 CB GLU A 66 -17.549 -9.302 5.832 1.00 0.00 C ATOM 1022 CG GLU A 66 -18.219 -10.371 6.674 1.00 0.00 C ATOM 1023 CD GLU A 66 -18.325 -11.683 5.929 1.00 0.00 C ATOM 1024 OE1 GLU A 66 -19.124 -11.764 4.972 1.00 0.00 O ATOM 1025 OE2 GLU A 66 -17.591 -12.631 6.267 1.00 0.00 O ATOM 0 H GLU A 66 -15.613 -8.999 7.415 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.096 -10.669 5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.578 -8.354 6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.118 -9.164 4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.652 -10.519 7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -19.215 -10.035 6.964 1.00 0.00 H new ATOM 1032 N LYS A 67 -15.102 -7.603 4.721 1.00 0.00 N ATOM 1033 CA LYS A 67 -14.565 -6.654 3.792 1.00 0.00 C ATOM 1034 C LYS A 67 -13.229 -7.145 3.303 1.00 0.00 C ATOM 1035 O LYS A 67 -12.840 -6.926 2.163 1.00 0.00 O ATOM 1036 CB LYS A 67 -14.402 -5.315 4.498 1.00 0.00 C ATOM 1037 CG LYS A 67 -15.708 -4.622 4.855 1.00 0.00 C ATOM 1038 CD LYS A 67 -16.508 -4.268 3.610 1.00 0.00 C ATOM 1039 CE LYS A 67 -17.697 -3.382 3.943 1.00 0.00 C ATOM 1040 NZ LYS A 67 -18.638 -4.036 4.888 1.00 0.00 N ATOM 0 H LYS A 67 -15.066 -7.292 5.692 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.235 -6.536 2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.827 -5.469 5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.817 -4.652 3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.302 -5.271 5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.497 -3.716 5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.863 -3.758 2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.858 -5.182 3.129 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.341 -2.447 4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.226 -3.127 3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.489 -3.447 4.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.907 -4.970 4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.178 -4.149 5.814 1.00 0.00 H new ATOM 1054 N ARG A 68 -12.540 -7.799 4.204 1.00 0.00 N ATOM 1055 CA ARG A 68 -11.228 -8.325 3.988 1.00 0.00 C ATOM 1056 C ARG A 68 -11.290 -9.448 2.965 1.00 0.00 C ATOM 1057 O ARG A 68 -10.481 -9.510 2.054 1.00 0.00 O ATOM 1058 CB ARG A 68 -10.705 -8.870 5.311 1.00 0.00 C ATOM 1059 CG ARG A 68 -9.190 -8.918 5.409 1.00 0.00 C ATOM 1060 CD ARG A 68 -8.701 -10.267 5.929 1.00 0.00 C ATOM 1061 NE ARG A 68 -9.276 -11.392 5.182 1.00 0.00 N ATOM 1062 CZ ARG A 68 -8.596 -12.206 4.366 1.00 0.00 C ATOM 1063 NH1 ARG A 68 -7.289 -12.041 4.180 1.00 0.00 N ATOM 1064 NH2 ARG A 68 -9.232 -13.190 3.744 1.00 0.00 N ATOM 0 H ARG A 68 -12.897 -7.983 5.142 1.00 0.00 H new ATOM 0 HA ARG A 68 -10.567 -7.542 3.616 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.091 -8.254 6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.100 -9.875 5.458 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.756 -8.727 4.428 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.843 -8.125 6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.614 -10.307 5.863 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.960 -10.363 6.983 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.275 -11.568 5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.796 -11.289 4.661 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.780 -12.667 3.556 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.233 -13.322 3.889 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.720 -13.814 3.121 1.00 0.00 H new ATOM 1078 N ASP A 69 -12.280 -10.328 3.128 1.00 0.00 N ATOM 1079 CA ASP A 69 -12.479 -11.452 2.213 1.00 0.00 C ATOM 1080 C ASP A 69 -12.865 -10.934 0.862 1.00 0.00 C ATOM 1081 O ASP A 69 -12.429 -11.440 -0.168 1.00 0.00 O ATOM 1082 CB ASP A 69 -13.551 -12.409 2.739 1.00 0.00 C ATOM 1083 CG ASP A 69 -13.103 -13.197 3.954 1.00 0.00 C ATOM 1084 OD1 ASP A 69 -11.882 -13.417 4.116 1.00 0.00 O ATOM 1085 OD2 ASP A 69 -13.970 -13.599 4.758 1.00 0.00 O ATOM 0 H ASP A 69 -12.958 -10.283 3.888 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.544 -12.008 2.137 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.445 -11.839 2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.830 -13.103 1.946 1.00 0.00 H new ATOM 1090 N ILE A 70 -13.690 -9.910 0.877 1.00 0.00 N ATOM 1091 CA ILE A 70 -14.105 -9.246 -0.328 1.00 0.00 C ATOM 1092 C ILE A 70 -12.894 -8.638 -1.028 1.00 0.00 C ATOM 1093 O ILE A 70 -12.679 -8.855 -2.229 1.00 0.00 O ATOM 1094 CB ILE A 70 -15.146 -8.154 -0.006 1.00 0.00 C ATOM 1095 CG1 ILE A 70 -16.479 -8.786 0.421 1.00 0.00 C ATOM 1096 CG2 ILE A 70 -15.347 -7.199 -1.180 1.00 0.00 C ATOM 1097 CD1 ILE A 70 -17.111 -9.673 -0.634 1.00 0.00 C ATOM 0 H ILE A 70 -14.090 -9.518 1.729 1.00 0.00 H new ATOM 0 HA ILE A 70 -14.567 -9.975 -0.994 1.00 0.00 H new ATOM 0 HB ILE A 70 -14.759 -7.566 0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -16.317 -9.374 1.325 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -17.179 -7.991 0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.088 -6.445 -0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -14.402 -6.711 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -15.695 -7.758 -2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -18.048 -10.080 -0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -17.308 -9.087 -1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.432 -10.491 -0.876 1.00 0.00 H new ATOM 1109 N TYR A 71 -12.073 -7.926 -0.260 1.00 0.00 N ATOM 1110 CA TYR A 71 -10.854 -7.339 -0.802 1.00 0.00 C ATOM 1111 C TYR A 71 -9.937 -8.414 -1.354 1.00 0.00 C ATOM 1112 O TYR A 71 -9.413 -8.285 -2.448 1.00 0.00 O ATOM 1113 CB TYR A 71 -10.098 -6.498 0.237 1.00 0.00 C ATOM 1114 CG TYR A 71 -8.766 -6.002 -0.296 1.00 0.00 C ATOM 1115 CD1 TYR A 71 -8.702 -4.925 -1.171 1.00 0.00 C ATOM 1116 CD2 TYR A 71 -7.580 -6.639 0.043 1.00 0.00 C ATOM 1117 CE1 TYR A 71 -7.496 -4.502 -1.692 1.00 0.00 C ATOM 1118 CE2 TYR A 71 -6.372 -6.214 -0.467 1.00 0.00 C ATOM 1119 CZ TYR A 71 -6.335 -5.150 -1.334 1.00 0.00 C ATOM 1120 OH TYR A 71 -5.132 -4.752 -1.871 1.00 0.00 O ATOM 0 H TYR A 71 -12.229 -7.743 0.731 1.00 0.00 H new ATOM 0 HA TYR A 71 -11.161 -6.674 -1.609 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -10.711 -5.646 0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.931 -7.094 1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.610 -4.411 -1.448 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.604 -7.482 0.718 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.463 -3.667 -2.377 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.458 -6.716 -0.186 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.414 -5.323 -1.525 1.00 0.00 H new