USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 846 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 47 MET CE :methyl 177:sc= 0 (180deg=-0.0129) USER MOD Set 1.2: A 137 LYS NZ :NH3+ 148:sc= 0.021 (180deg=0) USER MOD Set 2.1: A 55 HIS : no HD1:sc= 0.483 K(o=1.9,f=-4.5!) USER MOD Set 2.2: A 69 SER OG : rot 96:sc= 1.45 USER MOD Single : A 34 LYS NZ :NH3+ -133:sc= -0.0137 (180deg=-0.0925) USER MOD Single : A 37 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.296) USER MOD Single : A 41 THR OG1 : rot -35:sc= 0.253 USER MOD Single : A 43 THR OG1 : rot -29:sc= 0.696 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 154:sc= 0.0747 (180deg=0) USER MOD Single : A 68 SER OG : rot 29:sc= 0.344 USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= 0.0203 (180deg=0.00771) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -140:sc= 0.459 (180deg=0.0294) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -1:sc= 0.269 USER MOD Single : A 96 MET CE :methyl 139:sc= -1.21 (180deg=-4.88!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 140:sc= -6.34! USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 175:sc= -6.14! USER MOD Single : A 107 LYS NZ :NH3+ -142:sc= -5.25! (180deg=-5.46!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 101:sc= 0.668 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N GLY A 31 -3.198 11.453 6.574 1.00 0.00 N ATOM 149 CA GLY A 31 -1.712 11.280 6.316 1.00 0.00 C ATOM 150 C GLY A 31 -1.430 10.215 5.244 1.00 0.00 C ATOM 151 O GLY A 31 -0.631 10.437 4.319 1.00 0.00 O ATOM 0 HA2 GLY A 31 -1.286 12.233 6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.214 11.000 7.244 1.00 0.00 H new ATOM 155 N VAL A 32 -2.121 9.068 5.392 1.00 0.00 N ATOM 156 CA VAL A 32 -2.050 8.014 4.324 1.00 0.00 C ATOM 157 C VAL A 32 -3.463 7.606 3.757 1.00 0.00 C ATOM 158 O VAL A 32 -4.331 7.118 4.484 1.00 0.00 O ATOM 159 CB VAL A 32 -1.048 6.832 4.606 1.00 0.00 C ATOM 160 CG1 VAL A 32 -0.885 5.951 3.338 1.00 0.00 C ATOM 161 CG2 VAL A 32 0.350 7.339 4.869 1.00 0.00 C ATOM 0 H VAL A 32 -2.711 8.840 6.192 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.561 8.503 3.481 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.458 6.293 5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.190 5.138 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.853 5.537 3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.498 6.559 2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.013 6.495 5.059 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.706 7.892 4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.341 7.997 5.738 1.00 0.00 H new ATOM 171 N LEU A 33 -3.651 7.822 2.434 1.00 0.00 N ATOM 172 CA LEU A 33 -4.869 7.441 1.665 1.00 0.00 C ATOM 173 C LEU A 33 -4.674 5.975 1.100 1.00 0.00 C ATOM 174 O LEU A 33 -3.708 5.773 0.351 1.00 0.00 O ATOM 175 CB LEU A 33 -5.025 8.447 0.484 1.00 0.00 C ATOM 176 CG LEU A 33 -6.255 8.251 -0.452 1.00 0.00 C ATOM 177 CD1 LEU A 33 -7.551 8.727 0.207 1.00 0.00 C ATOM 178 CD2 LEU A 33 -6.093 9.002 -1.782 1.00 0.00 C ATOM 0 H LEU A 33 -2.946 8.277 1.854 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.757 7.467 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.072 9.453 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.123 8.396 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.310 7.179 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.385 8.573 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.723 8.160 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.469 9.787 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.974 8.837 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.982 10.069 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.209 8.634 -2.302 1.00 0.00 H new ATOM 190 N LYS A 34 -5.528 4.961 1.379 1.00 0.00 N ATOM 191 CA LYS A 34 -5.379 3.598 0.813 1.00 0.00 C ATOM 192 C LYS A 34 -6.598 3.311 -0.120 1.00 0.00 C ATOM 193 O LYS A 34 -7.689 2.952 0.334 1.00 0.00 O ATOM 194 CB LYS A 34 -5.191 2.605 1.992 1.00 0.00 C ATOM 195 CG LYS A 34 -4.941 1.120 1.636 1.00 0.00 C ATOM 196 CD LYS A 34 -3.709 0.882 0.737 1.00 0.00 C ATOM 197 CE LYS A 34 -3.210 -0.567 0.807 1.00 0.00 C ATOM 198 NZ LYS A 34 -2.002 -0.715 -0.029 1.00 0.00 N ATOM 0 H LYS A 34 -6.333 5.063 1.997 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.497 3.487 0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.353 2.953 2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.080 2.656 2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.818 0.553 2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.824 0.725 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.961 1.128 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.907 1.555 1.038 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.985 -0.836 1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.989 -1.248 0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.092 -1.565 -0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.896 0.122 -0.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.166 -0.807 0.582 1.00 0.00 H new ATOM 211 N VAL A 35 -6.422 3.497 -1.439 1.00 0.00 N ATOM 212 CA VAL A 35 -7.510 3.319 -2.443 1.00 0.00 C ATOM 213 C VAL A 35 -7.508 1.838 -2.952 1.00 0.00 C ATOM 214 O VAL A 35 -6.502 1.330 -3.446 1.00 0.00 O ATOM 215 CB VAL A 35 -7.516 4.474 -3.526 1.00 0.00 C ATOM 216 CG1 VAL A 35 -6.217 5.281 -3.784 1.00 0.00 C ATOM 217 CG2 VAL A 35 -8.115 4.069 -4.892 1.00 0.00 C ATOM 0 H VAL A 35 -5.530 3.774 -1.848 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.492 3.450 -1.989 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.176 5.159 -2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.401 6.030 -4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.907 5.776 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.429 4.605 -4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.079 4.920 -5.572 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.539 3.244 -5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.150 3.756 -4.757 1.00 0.00 H new ATOM 227 N ILE A 36 -8.660 1.157 -2.840 1.00 0.00 N ATOM 228 CA ILE A 36 -8.789 -0.276 -3.246 1.00 0.00 C ATOM 229 C ILE A 36 -9.122 -0.423 -4.778 1.00 0.00 C ATOM 230 O ILE A 36 -9.870 0.372 -5.357 1.00 0.00 O ATOM 231 CB ILE A 36 -9.761 -1.054 -2.256 1.00 0.00 C ATOM 232 CG1 ILE A 36 -9.094 -2.261 -1.541 1.00 0.00 C ATOM 233 CG2 ILE A 36 -11.111 -1.512 -2.870 1.00 0.00 C ATOM 234 CD1 ILE A 36 -8.666 -3.437 -2.433 1.00 0.00 C ATOM 0 H ILE A 36 -9.521 1.563 -2.474 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.823 -0.770 -3.142 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.987 -0.283 -1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.214 -1.899 -1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.788 -2.638 -0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.698 -2.032 -2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.664 -0.642 -3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.921 -2.185 -3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.214 -4.215 -1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.539 -3.841 -2.946 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.941 -3.090 -3.169 1.00 0.00 H new ATOM 246 N LYS A 37 -8.591 -1.482 -5.402 1.00 0.00 N ATOM 247 CA LYS A 37 -8.869 -1.825 -6.831 1.00 0.00 C ATOM 248 C LYS A 37 -9.441 -3.285 -6.973 1.00 0.00 C ATOM 249 O LYS A 37 -10.485 -3.505 -7.592 1.00 0.00 O ATOM 250 CB LYS A 37 -7.588 -1.507 -7.655 1.00 0.00 C ATOM 251 CG LYS A 37 -7.663 -1.926 -9.141 1.00 0.00 C ATOM 252 CD LYS A 37 -6.666 -1.228 -10.084 1.00 0.00 C ATOM 253 CE LYS A 37 -5.191 -1.538 -9.790 1.00 0.00 C ATOM 254 NZ LYS A 37 -4.341 -0.893 -10.811 1.00 0.00 N ATOM 0 H LYS A 37 -7.955 -2.134 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.669 -1.213 -7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.393 -0.436 -7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.739 -2.009 -7.191 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.502 -3.002 -9.204 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.673 -1.733 -9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.889 -1.521 -11.110 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.818 -0.151 -10.020 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.923 -1.177 -8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.027 -2.616 -9.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.448 -1.418 -10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.837 -0.892 -11.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.139 0.087 -10.526 1.00 0.00 H new ATOM 267 N ARG A 38 -8.731 -4.273 -6.421 1.00 0.00 N ATOM 268 CA ARG A 38 -9.119 -5.699 -6.398 1.00 0.00 C ATOM 269 C ARG A 38 -9.101 -6.077 -4.856 1.00 0.00 C ATOM 270 O ARG A 38 -8.024 -6.106 -4.255 1.00 0.00 O ATOM 271 CB ARG A 38 -8.111 -6.517 -7.255 1.00 0.00 C ATOM 272 CG ARG A 38 -8.080 -6.256 -8.781 1.00 0.00 C ATOM 273 CD ARG A 38 -9.364 -6.647 -9.535 1.00 0.00 C ATOM 274 NE ARG A 38 -9.246 -6.263 -10.965 1.00 0.00 N ATOM 275 CZ ARG A 38 -9.638 -5.109 -11.497 1.00 0.00 C ATOM 276 NH1 ARG A 38 -10.171 -4.129 -10.828 1.00 0.00 N ATOM 277 NH2 ARG A 38 -9.473 -4.959 -12.763 1.00 0.00 N ATOM 0 H ARG A 38 -7.837 -4.103 -5.960 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.098 -5.912 -6.828 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.111 -6.331 -6.863 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.322 -7.575 -7.101 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.886 -5.197 -8.949 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.243 -6.805 -9.211 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.534 -7.720 -9.450 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.225 -6.152 -9.086 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.826 -6.946 -11.596 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.314 -4.217 -9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.446 -3.273 -11.310 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.056 -5.709 -13.315 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.759 -4.090 -13.215 1.00 0.00 H new ATOM 290 N GLU A 39 -10.249 -6.272 -4.172 1.00 0.00 N ATOM 291 CA GLU A 39 -10.316 -6.634 -2.700 1.00 0.00 C ATOM 292 C GLU A 39 -9.379 -7.771 -2.143 1.00 0.00 C ATOM 293 O GLU A 39 -8.404 -7.495 -1.439 1.00 0.00 O ATOM 294 CB GLU A 39 -11.835 -6.864 -2.402 1.00 0.00 C ATOM 295 CG GLU A 39 -12.273 -6.865 -0.909 1.00 0.00 C ATOM 296 CD GLU A 39 -12.442 -8.235 -0.237 1.00 0.00 C ATOM 297 OE1 GLU A 39 -11.519 -8.993 0.040 1.00 0.00 O ATOM 298 OE2 GLU A 39 -13.744 -8.505 0.051 1.00 0.00 O ATOM 0 H GLU A 39 -11.168 -6.188 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.880 -5.806 -2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.402 -6.091 -2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.125 -7.819 -2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.538 -6.296 -0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.220 -6.330 -0.833 1.00 0.00 H new ATOM 306 N GLY A 40 -9.677 -9.026 -2.477 1.00 0.00 N ATOM 307 CA GLY A 40 -8.972 -10.226 -1.984 1.00 0.00 C ATOM 308 C GLY A 40 -9.794 -11.514 -2.229 1.00 0.00 C ATOM 309 O GLY A 40 -10.654 -11.571 -3.113 1.00 0.00 O ATOM 0 H GLY A 40 -10.438 -9.251 -3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.006 -10.311 -2.482 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.773 -10.119 -0.918 1.00 0.00 H new ATOM 313 N THR A 41 -9.532 -12.569 -1.446 1.00 0.00 N ATOM 314 CA THR A 41 -10.330 -13.847 -1.538 1.00 0.00 C ATOM 315 C THR A 41 -11.621 -13.924 -0.630 1.00 0.00 C ATOM 316 O THR A 41 -12.369 -14.901 -0.719 1.00 0.00 O ATOM 317 CB THR A 41 -9.400 -15.084 -1.339 1.00 0.00 C ATOM 318 OG1 THR A 41 -10.049 -16.243 -1.848 1.00 0.00 O ATOM 319 CG2 THR A 41 -9.016 -15.426 0.110 1.00 0.00 C ATOM 0 H THR A 41 -8.791 -12.586 -0.746 1.00 0.00 H new ATOM 0 HA THR A 41 -10.738 -13.854 -2.549 1.00 0.00 H new ATOM 0 HB THR A 41 -8.484 -14.805 -1.860 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.012 -16.179 -1.680 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.369 -16.303 0.118 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.489 -14.582 0.556 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.918 -15.635 0.686 1.00 0.00 H new ATOM 327 N GLY A 42 -11.854 -12.949 0.265 1.00 0.00 N ATOM 328 CA GLY A 42 -13.014 -12.920 1.167 1.00 0.00 C ATOM 329 C GLY A 42 -13.091 -11.606 1.962 1.00 0.00 C ATOM 330 O GLY A 42 -13.779 -10.679 1.535 1.00 0.00 O ATOM 0 H GLY A 42 -11.232 -12.149 0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.928 -13.047 0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.956 -13.760 1.859 1.00 0.00 H new ATOM 334 N THR A 43 -12.391 -11.522 3.109 1.00 0.00 N ATOM 335 CA THR A 43 -12.408 -10.291 3.977 1.00 0.00 C ATOM 336 C THR A 43 -11.310 -10.138 5.102 1.00 0.00 C ATOM 337 O THR A 43 -11.406 -9.163 5.858 1.00 0.00 O ATOM 338 CB THR A 43 -13.827 -10.017 4.595 1.00 0.00 C ATOM 339 OG1 THR A 43 -14.072 -8.828 5.336 1.00 0.00 O ATOM 340 CG2 THR A 43 -14.333 -11.109 5.570 1.00 0.00 C ATOM 0 H THR A 43 -11.806 -12.276 3.469 1.00 0.00 H new ATOM 0 HA THR A 43 -12.136 -9.533 3.242 1.00 0.00 H new ATOM 0 HB THR A 43 -14.339 -9.962 3.634 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.240 -8.527 5.757 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.319 -10.833 5.945 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.398 -12.063 5.046 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.639 -11.200 6.406 1.00 0.00 H new ATOM 348 N GLU A 44 -10.281 -11.003 5.273 1.00 0.00 N ATOM 349 CA GLU A 44 -9.311 -10.858 6.400 1.00 0.00 C ATOM 350 C GLU A 44 -8.079 -9.911 6.107 1.00 0.00 C ATOM 351 O GLU A 44 -7.569 -9.792 4.982 1.00 0.00 O ATOM 352 CB GLU A 44 -8.949 -12.269 6.954 1.00 0.00 C ATOM 353 CG GLU A 44 -7.798 -12.980 6.217 1.00 0.00 C ATOM 354 CD GLU A 44 -7.295 -14.274 6.846 1.00 0.00 C ATOM 355 OE1 GLU A 44 -7.700 -15.388 6.533 1.00 0.00 O ATOM 356 OE2 GLU A 44 -6.329 -14.056 7.779 1.00 0.00 O ATOM 0 H GLU A 44 -10.098 -11.797 4.660 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.806 -10.306 7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.682 -12.173 8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.836 -12.900 6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.125 -13.198 5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.960 -12.287 6.141 1.00 0.00 H new ATOM 364 N THR A 45 -7.562 -9.368 7.216 1.00 0.00 N ATOM 365 CA THR A 45 -6.447 -8.369 7.254 1.00 0.00 C ATOM 366 C THR A 45 -5.276 -8.779 8.226 1.00 0.00 C ATOM 367 O THR A 45 -5.498 -9.637 9.092 1.00 0.00 O ATOM 368 CB THR A 45 -6.972 -6.967 7.708 1.00 0.00 C ATOM 369 OG1 THR A 45 -7.563 -7.012 9.006 1.00 0.00 O ATOM 370 CG2 THR A 45 -7.986 -6.285 6.777 1.00 0.00 C ATOM 0 H THR A 45 -7.906 -9.607 8.146 1.00 0.00 H new ATOM 0 HA THR A 45 -6.058 -8.333 6.236 1.00 0.00 H new ATOM 0 HB THR A 45 -6.060 -6.370 7.691 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.877 -6.117 9.254 1.00 0.00 H new ATOM 0 HG21 THR A 45 -8.275 -5.322 7.197 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.534 -6.132 5.797 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.869 -6.916 6.675 1.00 0.00 H new ATOM 378 N PRO A 46 -4.040 -8.188 8.181 1.00 0.00 N ATOM 379 CA PRO A 46 -2.938 -8.597 9.099 1.00 0.00 C ATOM 380 C PRO A 46 -2.926 -7.896 10.510 1.00 0.00 C ATOM 381 O PRO A 46 -3.813 -7.102 10.841 1.00 0.00 O ATOM 382 CB PRO A 46 -1.736 -8.212 8.219 1.00 0.00 C ATOM 383 CG PRO A 46 -2.153 -6.952 7.488 1.00 0.00 C ATOM 384 CD PRO A 46 -3.594 -7.265 7.107 1.00 0.00 C ATOM 0 HA PRO A 46 -2.992 -9.639 9.413 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.847 -8.038 8.825 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.492 -9.010 7.517 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.082 -6.070 8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.532 -6.764 6.612 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.206 -6.363 7.072 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.658 -7.731 6.124 1.00 0.00 H new ATOM 392 N MET A 47 -1.908 -8.175 11.352 1.00 0.00 N ATOM 393 CA MET A 47 -1.774 -7.544 12.705 1.00 0.00 C ATOM 394 C MET A 47 -0.316 -7.036 12.987 1.00 0.00 C ATOM 395 O MET A 47 0.623 -7.356 12.249 1.00 0.00 O ATOM 396 CB MET A 47 -2.324 -8.522 13.783 1.00 0.00 C ATOM 397 CG MET A 47 -1.727 -9.948 13.822 1.00 0.00 C ATOM 398 SD MET A 47 -2.053 -10.761 15.403 1.00 0.00 S ATOM 399 CE MET A 47 -3.848 -10.923 15.367 1.00 0.00 C ATOM 0 H MET A 47 -1.161 -8.832 11.128 1.00 0.00 H new ATOM 0 HA MET A 47 -2.380 -6.639 12.743 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.171 -8.066 14.761 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.401 -8.612 13.638 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.150 -10.543 13.012 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.651 -9.898 13.653 1.00 0.00 H new ATOM 0 HE1 MET A 47 -4.183 -11.456 16.257 1.00 0.00 H new ATOM 0 HE2 MET A 47 -4.302 -9.932 15.345 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.145 -11.479 14.478 1.00 0.00 H new ATOM 409 N ILE A 48 -0.080 -6.219 14.043 1.00 0.00 N ATOM 410 CA ILE A 48 1.295 -5.711 14.364 1.00 0.00 C ATOM 411 C ILE A 48 2.285 -6.908 14.664 1.00 0.00 C ATOM 412 O ILE A 48 1.950 -7.889 15.338 1.00 0.00 O ATOM 413 CB ILE A 48 1.281 -4.528 15.408 1.00 0.00 C ATOM 414 CG1 ILE A 48 2.283 -3.353 15.161 1.00 0.00 C ATOM 415 CG2 ILE A 48 1.523 -5.008 16.855 1.00 0.00 C ATOM 416 CD1 ILE A 48 2.298 -2.717 13.757 1.00 0.00 C ATOM 0 H ILE A 48 -0.805 -5.897 14.683 1.00 0.00 H new ATOM 0 HA ILE A 48 1.711 -5.231 13.478 1.00 0.00 H new ATOM 0 HB ILE A 48 0.273 -4.141 15.261 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.066 -2.567 15.884 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.288 -3.716 15.377 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.503 -4.153 17.530 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.742 -5.714 17.140 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.495 -5.497 16.918 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.038 -1.917 13.728 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.554 -3.475 13.017 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.313 -2.308 13.532 1.00 0.00 H new ATOM 428 N GLY A 49 3.491 -6.814 14.115 1.00 0.00 N ATOM 429 CA GLY A 49 4.503 -7.908 14.174 1.00 0.00 C ATOM 430 C GLY A 49 4.307 -9.150 13.253 1.00 0.00 C ATOM 431 O GLY A 49 5.158 -10.042 13.282 1.00 0.00 O ATOM 0 H GLY A 49 3.812 -5.986 13.613 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.475 -7.473 13.943 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.549 -8.262 15.204 1.00 0.00 H new ATOM 435 N ASP A 50 3.250 -9.227 12.419 1.00 0.00 N ATOM 436 CA ASP A 50 2.975 -10.408 11.555 1.00 0.00 C ATOM 437 C ASP A 50 3.782 -10.356 10.217 1.00 0.00 C ATOM 438 O ASP A 50 4.100 -9.289 9.680 1.00 0.00 O ATOM 439 CB ASP A 50 1.423 -10.538 11.492 1.00 0.00 C ATOM 440 CG ASP A 50 0.707 -11.162 10.308 1.00 0.00 C ATOM 441 OD1 ASP A 50 -0.288 -10.656 9.793 1.00 0.00 O ATOM 442 OD2 ASP A 50 1.252 -12.350 9.925 1.00 0.00 O ATOM 0 H ASP A 50 2.563 -8.480 12.321 1.00 0.00 H new ATOM 0 HA ASP A 50 3.349 -11.350 11.956 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.121 -11.104 12.373 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.020 -9.532 11.606 1.00 0.00 H new ATOM 448 N ARG A 51 4.124 -11.548 9.702 1.00 0.00 N ATOM 449 CA ARG A 51 4.929 -11.676 8.451 1.00 0.00 C ATOM 450 C ARG A 51 4.011 -11.437 7.221 1.00 0.00 C ATOM 451 O ARG A 51 2.903 -11.971 7.191 1.00 0.00 O ATOM 452 CB ARG A 51 5.594 -13.079 8.464 1.00 0.00 C ATOM 453 CG ARG A 51 6.669 -13.341 7.382 1.00 0.00 C ATOM 454 CD ARG A 51 8.010 -12.635 7.650 1.00 0.00 C ATOM 455 NE ARG A 51 9.003 -13.043 6.620 1.00 0.00 N ATOM 456 CZ ARG A 51 9.341 -12.348 5.540 1.00 0.00 C ATOM 457 NH1 ARG A 51 8.838 -11.199 5.219 1.00 0.00 N ATOM 458 NH2 ARG A 51 10.226 -12.853 4.757 1.00 0.00 N ATOM 0 H ARG A 51 3.863 -12.440 10.122 1.00 0.00 H new ATOM 0 HA ARG A 51 5.720 -10.928 8.390 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.050 -13.232 9.442 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.811 -13.829 8.356 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.843 -14.415 7.310 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.285 -13.015 6.416 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.874 -11.554 7.630 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.376 -12.892 8.644 1.00 0.00 H new ATOM 0 HE ARG A 51 9.468 -13.941 6.756 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.131 -10.768 5.814 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.149 -10.725 4.371 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.643 -13.758 4.975 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.512 -12.349 3.918 1.00 0.00 H new ATOM 471 N VAL A 52 4.440 -10.629 6.243 1.00 0.00 N ATOM 472 CA VAL A 52 3.574 -10.236 5.087 1.00 0.00 C ATOM 473 C VAL A 52 4.365 -10.294 3.724 1.00 0.00 C ATOM 474 O VAL A 52 5.509 -9.827 3.644 1.00 0.00 O ATOM 475 CB VAL A 52 2.933 -8.817 5.373 1.00 0.00 C ATOM 476 CG1 VAL A 52 2.212 -8.646 6.736 1.00 0.00 C ATOM 477 CG2 VAL A 52 3.906 -7.632 5.254 1.00 0.00 C ATOM 0 H VAL A 52 5.377 -10.227 6.215 1.00 0.00 H new ATOM 0 HA VAL A 52 2.761 -10.955 4.980 1.00 0.00 H new ATOM 0 HB VAL A 52 2.194 -8.797 4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.816 -7.633 6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.393 -9.362 6.807 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.919 -8.822 7.546 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.376 -6.704 5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.721 -7.757 5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.312 -7.594 4.243 1.00 0.00 H new ATOM 487 N PHE A 53 3.752 -10.797 2.633 1.00 0.00 N ATOM 488 CA PHE A 53 4.415 -10.913 1.305 1.00 0.00 C ATOM 489 C PHE A 53 3.650 -10.000 0.284 1.00 0.00 C ATOM 490 O PHE A 53 2.562 -10.332 -0.193 1.00 0.00 O ATOM 491 CB PHE A 53 4.468 -12.420 0.914 1.00 0.00 C ATOM 492 CG PHE A 53 4.985 -13.427 1.974 1.00 0.00 C ATOM 493 CD1 PHE A 53 6.336 -13.452 2.331 1.00 0.00 C ATOM 494 CD2 PHE A 53 4.074 -14.218 2.689 1.00 0.00 C ATOM 495 CE1 PHE A 53 6.773 -14.256 3.381 1.00 0.00 C ATOM 496 CE2 PHE A 53 4.512 -15.018 3.742 1.00 0.00 C ATOM 497 CZ PHE A 53 5.861 -15.038 4.085 1.00 0.00 C ATOM 0 H PHE A 53 2.789 -11.134 2.640 1.00 0.00 H new ATOM 0 HA PHE A 53 5.446 -10.560 1.316 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.463 -12.726 0.625 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.097 -12.514 0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.046 -12.844 1.789 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.028 -14.207 2.422 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.819 -14.273 3.649 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.806 -15.622 4.292 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.201 -15.661 4.899 1.00 0.00 H new ATOM 507 N VAL A 54 4.224 -8.833 -0.017 1.00 0.00 N ATOM 508 CA VAL A 54 3.616 -7.772 -0.886 1.00 0.00 C ATOM 509 C VAL A 54 4.177 -7.709 -2.333 1.00 0.00 C ATOM 510 O VAL A 54 5.209 -8.305 -2.664 1.00 0.00 O ATOM 511 CB VAL A 54 3.859 -6.342 -0.227 1.00 0.00 C ATOM 512 CG1 VAL A 54 2.868 -6.029 0.877 1.00 0.00 C ATOM 513 CG2 VAL A 54 5.304 -6.013 0.163 1.00 0.00 C ATOM 0 H VAL A 54 5.146 -8.574 0.335 1.00 0.00 H new ATOM 0 HA VAL A 54 2.561 -8.037 -0.956 1.00 0.00 H new ATOM 0 HB VAL A 54 3.661 -5.654 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.082 -5.043 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.856 -6.041 0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.953 -6.777 1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.345 -5.016 0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.660 -6.743 0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.937 -6.046 -0.724 1.00 0.00 H new ATOM 523 N HIS A 55 3.486 -6.951 -3.205 1.00 0.00 N ATOM 524 CA HIS A 55 4.104 -6.588 -4.526 1.00 0.00 C ATOM 525 C HIS A 55 3.880 -5.067 -4.766 1.00 0.00 C ATOM 526 O HIS A 55 2.717 -4.645 -4.811 1.00 0.00 O ATOM 527 CB HIS A 55 3.703 -7.497 -5.724 1.00 0.00 C ATOM 528 CG HIS A 55 4.742 -7.861 -6.786 1.00 0.00 C ATOM 529 ND1 HIS A 55 6.085 -7.523 -6.807 1.00 0.00 N ATOM 530 CD2 HIS A 55 4.448 -8.746 -7.831 1.00 0.00 C ATOM 531 CE1 HIS A 55 6.497 -8.282 -7.880 1.00 0.00 C ATOM 532 NE2 HIS A 55 5.594 -9.064 -8.539 1.00 0.00 N ATOM 0 H HIS A 55 2.547 -6.586 -3.047 1.00 0.00 H new ATOM 0 HA HIS A 55 5.174 -6.788 -4.467 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.321 -8.430 -5.310 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.872 -7.012 -6.236 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.463 -9.128 -8.054 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.529 -8.258 -8.198 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.725 -9.699 -9.326 1.00 0.00 H new ATOM 540 N TYR A 56 4.959 -4.246 -4.872 1.00 0.00 N ATOM 541 CA TYR A 56 4.810 -2.769 -5.046 1.00 0.00 C ATOM 542 C TYR A 56 5.266 -2.193 -6.446 1.00 0.00 C ATOM 543 O TYR A 56 6.223 -2.639 -7.084 1.00 0.00 O ATOM 544 CB TYR A 56 5.510 -1.829 -3.976 1.00 0.00 C ATOM 545 CG TYR A 56 7.037 -1.727 -3.934 1.00 0.00 C ATOM 546 CD1 TYR A 56 7.700 -0.880 -4.829 1.00 0.00 C ATOM 547 CD2 TYR A 56 7.755 -2.343 -2.920 1.00 0.00 C ATOM 548 CE1 TYR A 56 9.064 -0.682 -4.721 1.00 0.00 C ATOM 549 CE2 TYR A 56 9.113 -2.063 -2.759 1.00 0.00 C ATOM 550 CZ TYR A 56 9.774 -1.256 -3.677 1.00 0.00 C ATOM 551 OH TYR A 56 11.108 -0.992 -3.537 1.00 0.00 O ATOM 0 H TYR A 56 5.926 -4.570 -4.841 1.00 0.00 H new ATOM 0 HA TYR A 56 3.728 -2.728 -4.922 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.121 -0.822 -4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.179 -2.156 -2.990 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.144 -0.379 -5.607 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.264 -3.039 -2.256 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.579 -0.078 -5.453 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.652 -2.475 -1.918 1.00 0.00 H new ATOM 0 HH TYR A 56 11.456 -1.471 -2.756 1.00 0.00 H new ATOM 561 N THR A 57 4.613 -1.095 -6.829 1.00 0.00 N ATOM 562 CA THR A 57 5.147 -0.107 -7.825 1.00 0.00 C ATOM 563 C THR A 57 5.244 1.241 -7.017 1.00 0.00 C ATOM 564 O THR A 57 4.493 1.444 -6.056 1.00 0.00 O ATOM 565 CB THR A 57 4.365 0.065 -9.156 1.00 0.00 C ATOM 566 OG1 THR A 57 4.184 -1.198 -9.784 1.00 0.00 O ATOM 567 CG2 THR A 57 5.144 0.953 -10.150 1.00 0.00 C ATOM 0 H THR A 57 3.692 -0.846 -6.467 1.00 0.00 H new ATOM 0 HA THR A 57 6.099 -0.475 -8.207 1.00 0.00 H new ATOM 0 HB THR A 57 3.409 0.525 -8.908 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.689 -1.079 -10.621 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.572 1.055 -11.072 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.303 1.938 -9.711 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.108 0.494 -10.370 1.00 0.00 H new ATOM 575 N GLY A 58 6.148 2.183 -7.326 1.00 0.00 N ATOM 576 CA GLY A 58 6.219 3.454 -6.572 1.00 0.00 C ATOM 577 C GLY A 58 6.826 4.643 -7.336 1.00 0.00 C ATOM 578 O GLY A 58 7.776 4.537 -8.115 1.00 0.00 O ATOM 0 H GLY A 58 6.831 2.097 -8.079 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.212 3.725 -6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.805 3.288 -5.668 1.00 0.00 H new ATOM 582 N TRP A 59 6.219 5.800 -7.068 1.00 0.00 N ATOM 583 CA TRP A 59 6.526 7.086 -7.721 1.00 0.00 C ATOM 584 C TRP A 59 6.760 8.283 -6.745 1.00 0.00 C ATOM 585 O TRP A 59 6.276 8.312 -5.611 1.00 0.00 O ATOM 586 CB TRP A 59 5.430 7.517 -8.757 1.00 0.00 C ATOM 587 CG TRP A 59 4.824 6.452 -9.700 1.00 0.00 C ATOM 588 CD1 TRP A 59 5.185 6.398 -11.049 1.00 0.00 C ATOM 589 CD2 TRP A 59 3.956 5.374 -9.516 1.00 0.00 C ATOM 590 NE1 TRP A 59 4.651 5.286 -11.714 1.00 0.00 N ATOM 591 CE2 TRP A 59 3.887 4.672 -10.748 1.00 0.00 C ATOM 592 CE3 TRP A 59 3.225 4.889 -8.392 1.00 0.00 C ATOM 593 CZ2 TRP A 59 3.134 3.488 -10.850 1.00 0.00 C ATOM 594 CZ3 TRP A 59 2.405 3.779 -8.557 1.00 0.00 C ATOM 595 CH2 TRP A 59 2.365 3.081 -9.764 1.00 0.00 C ATOM 0 H TRP A 59 5.478 5.877 -6.371 1.00 0.00 H new ATOM 0 HA TRP A 59 7.468 6.876 -8.228 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.609 7.966 -8.198 1.00 0.00 H new ATOM 0 HB3 TRP A 59 5.858 8.302 -9.380 1.00 0.00 H new ATOM 0 HD1 TRP A 59 5.810 7.136 -11.529 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.794 5.000 -12.683 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.307 5.375 -7.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.153 2.903 -11.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.787 3.451 -7.735 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.729 2.213 -9.857 1.00 0.00 H new ATOM 606 N LEU A 60 7.517 9.294 -7.199 1.00 0.00 N ATOM 607 CA LEU A 60 7.576 10.611 -6.495 1.00 0.00 C ATOM 608 C LEU A 60 6.268 11.409 -6.877 1.00 0.00 C ATOM 609 O LEU A 60 5.453 11.008 -7.719 1.00 0.00 O ATOM 610 CB LEU A 60 8.863 11.384 -6.924 1.00 0.00 C ATOM 611 CG LEU A 60 9.421 12.544 -6.069 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.684 12.171 -4.607 1.00 0.00 C ATOM 613 CD2 LEU A 60 10.727 13.072 -6.686 1.00 0.00 C ATOM 0 H LEU A 60 8.094 9.240 -8.038 1.00 0.00 H new ATOM 0 HA LEU A 60 7.624 10.481 -5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.660 10.647 -7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.677 11.784 -7.921 1.00 0.00 H new ATOM 0 HG LEU A 60 8.645 13.309 -6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.074 13.039 -4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.753 11.848 -4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.412 11.361 -4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.113 13.889 -6.077 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.463 12.269 -6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.532 13.433 -7.696 1.00 0.00 H new ATOM 625 N LEU A 61 6.090 12.596 -6.303 1.00 0.00 N ATOM 626 CA LEU A 61 4.918 13.471 -6.598 1.00 0.00 C ATOM 627 C LEU A 61 4.783 14.011 -8.054 1.00 0.00 C ATOM 628 O LEU A 61 3.662 14.268 -8.500 1.00 0.00 O ATOM 629 CB LEU A 61 4.661 14.501 -5.467 1.00 0.00 C ATOM 630 CG LEU A 61 5.528 15.772 -5.240 1.00 0.00 C ATOM 631 CD1 LEU A 61 7.043 15.538 -5.257 1.00 0.00 C ATOM 632 CD2 LEU A 61 5.173 16.915 -6.194 1.00 0.00 C ATOM 0 H LEU A 61 6.739 12.992 -5.623 1.00 0.00 H new ATOM 0 HA LEU A 61 4.065 12.793 -6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.637 14.850 -5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.689 13.941 -4.532 1.00 0.00 H new ATOM 0 HG LEU A 61 5.269 16.063 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.559 16.483 -5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.311 14.834 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.337 15.130 -6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.812 17.774 -5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.325 16.590 -7.223 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.130 17.196 -6.052 1.00 0.00 H new ATOM 644 N ASP A 62 5.891 14.140 -8.810 1.00 0.00 N ATOM 645 CA ASP A 62 5.794 14.416 -10.284 1.00 0.00 C ATOM 646 C ASP A 62 5.476 13.107 -11.154 1.00 0.00 C ATOM 647 O ASP A 62 5.598 13.124 -12.380 1.00 0.00 O ATOM 648 CB ASP A 62 7.139 15.106 -10.644 1.00 0.00 C ATOM 649 CG ASP A 62 7.177 15.750 -12.024 1.00 0.00 C ATOM 650 OD1 ASP A 62 6.591 16.788 -12.307 1.00 0.00 O ATOM 651 OD2 ASP A 62 7.936 15.048 -12.907 1.00 0.00 O ATOM 0 H ASP A 62 6.843 14.063 -8.452 1.00 0.00 H new ATOM 0 HA ASP A 62 4.947 15.059 -10.523 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.351 15.870 -9.896 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.938 14.368 -10.581 1.00 0.00 H new ATOM 657 N GLY A 63 5.052 11.981 -10.530 1.00 0.00 N ATOM 658 CA GLY A 63 4.853 10.642 -11.197 1.00 0.00 C ATOM 659 C GLY A 63 6.119 9.969 -11.784 1.00 0.00 C ATOM 660 O GLY A 63 6.076 9.223 -12.761 1.00 0.00 O ATOM 0 H GLY A 63 4.832 11.962 -9.534 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.410 9.961 -10.470 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.128 10.766 -12.001 1.00 0.00 H new ATOM 664 N THR A 64 7.244 10.268 -11.150 1.00 0.00 N ATOM 665 CA THR A 64 8.589 9.786 -11.538 1.00 0.00 C ATOM 666 C THR A 64 8.801 8.407 -10.855 1.00 0.00 C ATOM 667 O THR A 64 8.870 8.328 -9.623 1.00 0.00 O ATOM 668 CB THR A 64 9.646 10.848 -11.109 1.00 0.00 C ATOM 669 OG1 THR A 64 9.308 12.161 -11.551 1.00 0.00 O ATOM 670 CG2 THR A 64 11.028 10.549 -11.689 1.00 0.00 C ATOM 0 H THR A 64 7.261 10.869 -10.326 1.00 0.00 H new ATOM 0 HA THR A 64 8.692 9.655 -12.615 1.00 0.00 H new ATOM 0 HB THR A 64 9.658 10.799 -10.020 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.998 12.793 -11.258 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.732 11.315 -11.364 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.366 9.573 -11.340 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.973 10.545 -12.778 1.00 0.00 H new ATOM 678 N LYS A 65 8.896 7.329 -11.645 1.00 0.00 N ATOM 679 CA LYS A 65 8.985 5.958 -11.083 1.00 0.00 C ATOM 680 C LYS A 65 10.401 5.623 -10.453 1.00 0.00 C ATOM 681 O LYS A 65 11.264 5.061 -11.133 1.00 0.00 O ATOM 682 CB LYS A 65 8.550 4.924 -12.149 1.00 0.00 C ATOM 683 CG LYS A 65 8.426 3.472 -11.598 1.00 0.00 C ATOM 684 CD LYS A 65 7.408 2.613 -12.376 1.00 0.00 C ATOM 685 CE LYS A 65 7.813 2.309 -13.827 1.00 0.00 C ATOM 686 NZ LYS A 65 6.840 1.370 -14.419 1.00 0.00 N ATOM 0 H LYS A 65 8.914 7.369 -12.664 1.00 0.00 H new ATOM 0 HA LYS A 65 8.293 5.903 -10.243 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.590 5.228 -12.567 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.271 4.933 -12.967 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.403 2.991 -11.637 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.132 3.512 -10.549 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.265 1.671 -11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.446 3.125 -12.380 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.846 3.231 -14.408 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.814 1.879 -13.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.823 1.492 -15.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.116 0.394 -14.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.894 1.561 -14.033 1.00 0.00 H new ATOM 699 N PHE A 66 10.675 5.966 -9.176 1.00 0.00 N ATOM 700 CA PHE A 66 11.929 5.591 -8.477 1.00 0.00 C ATOM 701 C PHE A 66 12.092 4.076 -8.166 1.00 0.00 C ATOM 702 O PHE A 66 13.232 3.607 -8.085 1.00 0.00 O ATOM 703 CB PHE A 66 12.090 6.403 -7.146 1.00 0.00 C ATOM 704 CG PHE A 66 11.165 6.104 -5.926 1.00 0.00 C ATOM 705 CD1 PHE A 66 9.784 6.313 -6.009 1.00 0.00 C ATOM 706 CD2 PHE A 66 11.696 5.629 -4.717 1.00 0.00 C ATOM 707 CE1 PHE A 66 8.977 6.185 -4.884 1.00 0.00 C ATOM 708 CE2 PHE A 66 10.884 5.514 -3.584 1.00 0.00 C ATOM 709 CZ PHE A 66 9.534 5.856 -3.662 1.00 0.00 C ATOM 0 H PHE A 66 10.035 6.511 -8.598 1.00 0.00 H new ATOM 0 HA PHE A 66 12.715 5.842 -9.190 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.119 6.273 -6.811 1.00 0.00 H new ATOM 0 HB3 PHE A 66 11.967 7.457 -7.394 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.340 6.577 -6.958 1.00 0.00 H new ATOM 0 HD2 PHE A 66 12.738 5.351 -4.661 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.912 6.343 -4.965 1.00 0.00 H new ATOM 0 HE2 PHE A 66 11.301 5.162 -2.652 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.925 5.864 -2.770 1.00 0.00 H new ATOM 719 N ASP A 67 10.993 3.328 -7.934 1.00 0.00 N ATOM 720 CA ASP A 67 11.101 1.916 -7.528 1.00 0.00 C ATOM 721 C ASP A 67 9.902 1.093 -8.027 1.00 0.00 C ATOM 722 O ASP A 67 8.756 1.541 -8.054 1.00 0.00 O ATOM 723 CB ASP A 67 11.384 1.855 -6.012 1.00 0.00 C ATOM 724 CG ASP A 67 10.480 2.448 -4.933 1.00 0.00 C ATOM 725 OD1 ASP A 67 10.782 2.435 -3.745 1.00 0.00 O ATOM 726 OD2 ASP A 67 9.310 2.952 -5.400 1.00 0.00 O ATOM 0 H ASP A 67 10.037 3.673 -8.020 1.00 0.00 H new ATOM 0 HA ASP A 67 11.949 1.430 -8.012 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.489 0.798 -5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.362 2.314 -5.870 1.00 0.00 H new ATOM 732 N SER A 68 10.184 -0.138 -8.453 1.00 0.00 N ATOM 733 CA SER A 68 9.144 -1.006 -9.063 1.00 0.00 C ATOM 734 C SER A 68 9.516 -2.514 -9.038 1.00 0.00 C ATOM 735 O SER A 68 10.178 -3.018 -9.952 1.00 0.00 O ATOM 736 CB SER A 68 8.844 -0.467 -10.493 1.00 0.00 C ATOM 737 OG SER A 68 9.956 -0.625 -11.375 1.00 0.00 O ATOM 0 H SER A 68 11.109 -0.564 -8.394 1.00 0.00 H new ATOM 0 HA SER A 68 8.234 -0.957 -8.464 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.980 -0.991 -10.903 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.578 0.588 -10.433 1.00 0.00 H new ATOM 0 HG SER A 68 10.484 -1.403 -11.099 1.00 0.00 H new ATOM 743 N SER A 69 9.078 -3.244 -7.998 1.00 0.00 N ATOM 744 CA SER A 69 9.300 -4.719 -7.894 1.00 0.00 C ATOM 745 C SER A 69 8.647 -5.559 -9.062 1.00 0.00 C ATOM 746 O SER A 69 9.254 -6.515 -9.549 1.00 0.00 O ATOM 747 CB SER A 69 8.935 -5.134 -6.449 1.00 0.00 C ATOM 748 OG SER A 69 7.529 -5.142 -6.201 1.00 0.00 O ATOM 0 H SER A 69 8.566 -2.847 -7.210 1.00 0.00 H new ATOM 0 HA SER A 69 10.349 -4.964 -8.059 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.337 -6.128 -6.251 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.416 -4.450 -5.750 1.00 0.00 H new ATOM 0 HG SER A 69 7.182 -6.051 -6.315 1.00 0.00 H new ATOM 754 N LEU A 70 7.458 -5.158 -9.568 1.00 0.00 N ATOM 755 CA LEU A 70 6.799 -5.750 -10.776 1.00 0.00 C ATOM 756 C LEU A 70 7.695 -5.811 -12.078 1.00 0.00 C ATOM 757 O LEU A 70 7.637 -6.774 -12.842 1.00 0.00 O ATOM 758 CB LEU A 70 5.497 -4.920 -11.062 1.00 0.00 C ATOM 759 CG LEU A 70 4.199 -5.210 -10.259 1.00 0.00 C ATOM 760 CD1 LEU A 70 3.699 -6.623 -10.489 1.00 0.00 C ATOM 761 CD2 LEU A 70 4.268 -4.830 -8.781 1.00 0.00 C ATOM 0 H LEU A 70 6.914 -4.404 -9.149 1.00 0.00 H new ATOM 0 HA LEU A 70 6.590 -6.794 -10.541 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.743 -3.869 -10.912 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.259 -5.044 -12.118 1.00 0.00 H new ATOM 0 HG LEU A 70 3.448 -4.533 -10.667 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.790 -6.786 -9.910 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.485 -6.765 -11.548 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.462 -7.335 -10.174 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.319 -5.067 -8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.070 -5.389 -8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.464 -3.762 -8.689 1.00 0.00 H new ATOM 773 N ASP A 71 8.495 -4.760 -12.313 1.00 0.00 N ATOM 774 CA ASP A 71 9.455 -4.652 -13.449 1.00 0.00 C ATOM 775 C ASP A 71 10.772 -5.486 -13.261 1.00 0.00 C ATOM 776 O ASP A 71 11.252 -6.096 -14.218 1.00 0.00 O ATOM 777 CB ASP A 71 9.778 -3.144 -13.644 1.00 0.00 C ATOM 778 CG ASP A 71 8.645 -2.325 -14.260 1.00 0.00 C ATOM 779 OD1 ASP A 71 7.842 -1.660 -13.614 1.00 0.00 O ATOM 780 OD2 ASP A 71 8.616 -2.430 -15.615 1.00 0.00 O ATOM 0 H ASP A 71 8.501 -3.937 -11.711 1.00 0.00 H new ATOM 0 HA ASP A 71 8.984 -5.081 -14.333 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.036 -2.713 -12.676 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.660 -3.054 -14.278 1.00 0.00 H new ATOM 786 N ARG A 72 11.371 -5.495 -12.055 1.00 0.00 N ATOM 787 CA ARG A 72 12.594 -6.284 -11.744 1.00 0.00 C ATOM 788 C ARG A 72 12.432 -7.853 -11.717 1.00 0.00 C ATOM 789 O ARG A 72 13.439 -8.555 -11.819 1.00 0.00 O ATOM 790 CB ARG A 72 13.208 -5.788 -10.398 1.00 0.00 C ATOM 791 CG ARG A 72 13.502 -4.276 -10.208 1.00 0.00 C ATOM 792 CD ARG A 72 14.411 -3.649 -11.275 1.00 0.00 C ATOM 793 NE ARG A 72 14.559 -2.204 -10.968 1.00 0.00 N ATOM 794 CZ ARG A 72 15.116 -1.300 -11.764 1.00 0.00 C ATOM 795 NH1 ARG A 72 15.621 -1.562 -12.933 1.00 0.00 N ATOM 796 NH2 ARG A 72 15.155 -0.085 -11.345 1.00 0.00 N ATOM 0 H ARG A 72 11.025 -4.956 -11.262 1.00 0.00 H new ATOM 0 HA ARG A 72 13.261 -6.100 -12.586 1.00 0.00 H new ATOM 0 HB2 ARG A 72 12.533 -6.093 -9.598 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.144 -6.325 -10.248 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.555 -3.736 -10.197 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.962 -4.131 -9.231 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.385 -4.138 -11.280 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.981 -3.785 -12.268 1.00 0.00 H new ATOM 0 HE ARG A 72 14.202 -1.879 -10.069 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.605 -2.516 -13.293 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.033 -0.813 -13.490 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.767 0.152 -10.432 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.574 0.641 -11.925 1.00 0.00 H new ATOM 809 N LYS A 73 11.195 -8.371 -11.559 1.00 0.00 N ATOM 810 CA LYS A 73 10.817 -9.819 -11.487 1.00 0.00 C ATOM 811 C LYS A 73 10.553 -10.286 -10.019 1.00 0.00 C ATOM 812 O LYS A 73 9.554 -10.955 -9.741 1.00 0.00 O ATOM 813 CB LYS A 73 11.645 -10.855 -12.307 1.00 0.00 C ATOM 814 CG LYS A 73 11.684 -10.600 -13.833 1.00 0.00 C ATOM 815 CD LYS A 73 12.601 -11.561 -14.627 1.00 0.00 C ATOM 816 CE LYS A 73 14.103 -11.571 -14.275 1.00 0.00 C ATOM 817 NZ LYS A 73 14.723 -10.238 -14.418 1.00 0.00 N ATOM 0 H LYS A 73 10.379 -7.765 -11.472 1.00 0.00 H new ATOM 0 HA LYS A 73 9.880 -9.824 -12.044 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.667 -10.862 -11.929 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.233 -11.849 -12.130 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.671 -10.679 -14.227 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.015 -9.576 -14.008 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.219 -12.574 -14.497 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.506 -11.318 -15.685 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.231 -11.920 -13.251 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.620 -12.281 -14.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.757 -10.327 -14.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.467 -9.833 -15.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.382 -9.613 -13.660 1.00 0.00 H new ATOM 830 N ASP A 74 11.449 -9.940 -9.085 1.00 0.00 N ATOM 831 CA ASP A 74 11.310 -10.239 -7.649 1.00 0.00 C ATOM 832 C ASP A 74 10.224 -9.392 -6.918 1.00 0.00 C ATOM 833 O ASP A 74 9.894 -8.263 -7.285 1.00 0.00 O ATOM 834 CB ASP A 74 12.698 -10.078 -6.994 1.00 0.00 C ATOM 835 CG ASP A 74 13.459 -8.753 -7.135 1.00 0.00 C ATOM 836 OD1 ASP A 74 13.439 -7.856 -6.301 1.00 0.00 O ATOM 837 OD2 ASP A 74 14.174 -8.688 -8.289 1.00 0.00 O ATOM 0 H ASP A 74 12.307 -9.435 -9.308 1.00 0.00 H new ATOM 0 HA ASP A 74 10.952 -11.264 -7.551 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.579 -10.273 -5.928 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.339 -10.865 -7.392 1.00 0.00 H new ATOM 843 N LYS A 75 9.696 -9.979 -5.846 1.00 0.00 N ATOM 844 CA LYS A 75 8.634 -9.379 -5.021 1.00 0.00 C ATOM 845 C LYS A 75 9.179 -8.569 -3.790 1.00 0.00 C ATOM 846 O LYS A 75 10.390 -8.483 -3.562 1.00 0.00 O ATOM 847 CB LYS A 75 7.675 -10.521 -4.571 1.00 0.00 C ATOM 848 CG LYS A 75 7.097 -11.497 -5.632 1.00 0.00 C ATOM 849 CD LYS A 75 6.404 -12.717 -4.998 1.00 0.00 C ATOM 850 CE LYS A 75 5.670 -13.559 -6.051 1.00 0.00 C ATOM 851 NZ LYS A 75 4.927 -14.647 -5.389 1.00 0.00 N ATOM 0 H LYS A 75 9.994 -10.897 -5.516 1.00 0.00 H new ATOM 0 HA LYS A 75 8.102 -8.643 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.205 -11.120 -3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.831 -10.057 -4.060 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.383 -10.964 -6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.902 -11.838 -6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.145 -13.334 -4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.695 -12.381 -4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.984 -12.931 -6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.385 -13.974 -6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.431 -15.215 -6.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.591 -15.253 -4.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.234 -14.242 -4.728 1.00 0.00 H new ATOM 864 N PHE A 76 8.278 -7.962 -2.991 1.00 0.00 N ATOM 865 CA PHE A 76 8.660 -7.266 -1.737 1.00 0.00 C ATOM 866 C PHE A 76 8.046 -8.023 -0.485 1.00 0.00 C ATOM 867 O PHE A 76 7.053 -8.748 -0.597 1.00 0.00 O ATOM 868 CB PHE A 76 8.438 -5.715 -1.912 1.00 0.00 C ATOM 869 CG PHE A 76 9.473 -4.989 -1.027 1.00 0.00 C ATOM 870 CD1 PHE A 76 10.791 -4.794 -1.461 1.00 0.00 C ATOM 871 CD2 PHE A 76 9.137 -4.673 0.294 1.00 0.00 C ATOM 872 CE1 PHE A 76 11.735 -4.233 -0.599 1.00 0.00 C ATOM 873 CE2 PHE A 76 10.088 -4.136 1.159 1.00 0.00 C ATOM 874 CZ PHE A 76 11.382 -3.905 0.707 1.00 0.00 C ATOM 0 H PHE A 76 7.278 -7.938 -3.189 1.00 0.00 H new ATOM 0 HA PHE A 76 9.725 -7.317 -1.511 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.559 -5.427 -2.956 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.425 -5.439 -1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.077 -5.078 -2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.131 -4.847 0.646 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.742 -4.053 -0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.820 -3.900 2.178 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.115 -3.470 1.370 1.00 0.00 H new ATOM 884 N SER A 77 8.650 -7.940 0.719 1.00 0.00 N ATOM 885 CA SER A 77 8.167 -8.677 1.928 1.00 0.00 C ATOM 886 C SER A 77 8.741 -8.060 3.233 1.00 0.00 C ATOM 887 O SER A 77 9.872 -7.561 3.255 1.00 0.00 O ATOM 888 CB SER A 77 8.491 -10.195 1.834 1.00 0.00 C ATOM 889 OG SER A 77 9.888 -10.468 1.957 1.00 0.00 O ATOM 0 H SER A 77 9.478 -7.369 0.890 1.00 0.00 H new ATOM 0 HA SER A 77 7.083 -8.573 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.950 -10.727 2.617 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.132 -10.581 0.880 1.00 0.00 H new ATOM 0 HG SER A 77 10.039 -11.434 1.893 1.00 0.00 H new ATOM 895 N PHE A 78 7.960 -8.080 4.326 1.00 0.00 N ATOM 896 CA PHE A 78 8.405 -7.501 5.625 1.00 0.00 C ATOM 897 C PHE A 78 7.699 -8.116 6.893 1.00 0.00 C ATOM 898 O PHE A 78 6.975 -9.115 6.813 1.00 0.00 O ATOM 899 CB PHE A 78 8.269 -5.961 5.530 1.00 0.00 C ATOM 900 CG PHE A 78 6.872 -5.318 5.622 1.00 0.00 C ATOM 901 CD1 PHE A 78 6.079 -5.054 4.497 1.00 0.00 C ATOM 902 CD2 PHE A 78 6.536 -4.744 6.847 1.00 0.00 C ATOM 903 CE1 PHE A 78 4.972 -4.205 4.615 1.00 0.00 C ATOM 904 CE2 PHE A 78 5.440 -3.911 6.960 1.00 0.00 C ATOM 905 CZ PHE A 78 4.663 -3.632 5.854 1.00 0.00 C ATOM 0 H PHE A 78 7.024 -8.485 4.347 1.00 0.00 H new ATOM 0 HA PHE A 78 9.449 -7.771 5.786 1.00 0.00 H new ATOM 0 HB2 PHE A 78 8.881 -5.529 6.322 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.710 -5.652 4.582 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.320 -5.503 3.545 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.140 -4.953 7.718 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.358 -3.993 3.752 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.190 -3.477 7.917 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.815 -2.970 5.945 1.00 0.00 H new ATOM 915 N ASP A 79 7.923 -7.513 8.080 1.00 0.00 N ATOM 916 CA ASP A 79 7.237 -7.891 9.340 1.00 0.00 C ATOM 917 C ASP A 79 6.569 -6.559 9.850 1.00 0.00 C ATOM 918 O ASP A 79 7.272 -5.579 10.124 1.00 0.00 O ATOM 919 CB ASP A 79 8.330 -8.546 10.226 1.00 0.00 C ATOM 920 CG ASP A 79 7.867 -9.470 11.352 1.00 0.00 C ATOM 921 OD1 ASP A 79 8.452 -9.573 12.423 1.00 0.00 O ATOM 922 OD2 ASP A 79 6.753 -10.179 11.045 1.00 0.00 O ATOM 0 H ASP A 79 8.587 -6.747 8.195 1.00 0.00 H new ATOM 0 HA ASP A 79 6.433 -8.626 9.291 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.994 -9.116 9.575 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.926 -7.748 10.669 1.00 0.00 H new ATOM 928 N LEU A 80 5.221 -6.490 9.891 1.00 0.00 N ATOM 929 CA LEU A 80 4.429 -5.253 10.226 1.00 0.00 C ATOM 930 C LEU A 80 4.945 -4.397 11.447 1.00 0.00 C ATOM 931 O LEU A 80 4.859 -4.820 12.601 1.00 0.00 O ATOM 932 CB LEU A 80 2.928 -5.645 10.415 1.00 0.00 C ATOM 933 CG LEU A 80 1.891 -4.790 9.642 1.00 0.00 C ATOM 934 CD1 LEU A 80 0.487 -5.369 9.841 1.00 0.00 C ATOM 935 CD2 LEU A 80 1.806 -3.302 9.984 1.00 0.00 C ATOM 0 H LEU A 80 4.629 -7.296 9.692 1.00 0.00 H new ATOM 0 HA LEU A 80 4.565 -4.584 9.376 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.806 -6.685 10.114 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.692 -5.591 11.478 1.00 0.00 H new ATOM 0 HG LEU A 80 2.256 -4.843 8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.237 -4.764 9.295 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.459 -6.393 9.467 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.238 -5.363 10.902 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.041 -2.830 9.368 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.548 -3.185 11.036 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.769 -2.829 9.792 1.00 0.00 H new ATOM 947 N GLY A 81 5.489 -3.192 11.202 1.00 0.00 N ATOM 948 CA GLY A 81 6.035 -2.316 12.289 1.00 0.00 C ATOM 949 C GLY A 81 7.355 -2.744 12.979 1.00 0.00 C ATOM 950 O GLY A 81 7.526 -2.369 14.140 1.00 0.00 O ATOM 0 H GLY A 81 5.569 -2.791 10.268 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.185 -1.321 11.871 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.270 -2.226 13.060 1.00 0.00 H new ATOM 954 N LYS A 82 8.299 -3.452 12.322 1.00 0.00 N ATOM 955 CA LYS A 82 9.491 -4.005 13.046 1.00 0.00 C ATOM 956 C LYS A 82 10.893 -3.353 12.868 1.00 0.00 C ATOM 957 O LYS A 82 11.846 -3.817 13.500 1.00 0.00 O ATOM 958 CB LYS A 82 9.499 -5.506 12.624 1.00 0.00 C ATOM 959 CG LYS A 82 8.460 -6.336 13.425 1.00 0.00 C ATOM 960 CD LYS A 82 9.002 -6.821 14.792 1.00 0.00 C ATOM 961 CE LYS A 82 7.960 -7.488 15.705 1.00 0.00 C ATOM 962 NZ LYS A 82 7.700 -8.885 15.308 1.00 0.00 N ATOM 0 H LYS A 82 8.274 -3.656 11.323 1.00 0.00 H new ATOM 0 HA LYS A 82 9.355 -3.791 14.106 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.284 -5.585 11.558 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.494 -5.922 12.780 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.567 -5.732 13.587 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.157 -7.199 12.833 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.813 -7.528 14.614 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.432 -5.969 15.318 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.311 -7.462 16.737 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.030 -6.921 15.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.683 -9.086 15.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.001 -9.028 14.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.232 -9.527 15.929 1.00 0.00 H new ATOM 975 N GLY A 83 11.044 -2.280 12.080 1.00 0.00 N ATOM 976 CA GLY A 83 12.415 -1.745 11.744 1.00 0.00 C ATOM 977 C GLY A 83 12.842 -2.481 10.450 1.00 0.00 C ATOM 978 O GLY A 83 13.786 -3.265 10.386 1.00 0.00 O ATOM 0 H GLY A 83 10.271 -1.762 11.662 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.388 -0.666 11.591 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.119 -1.935 12.554 1.00 0.00 H new ATOM 982 N GLU A 84 12.005 -2.220 9.450 1.00 0.00 N ATOM 983 CA GLU A 84 11.918 -2.943 8.183 1.00 0.00 C ATOM 984 C GLU A 84 11.487 -2.010 7.005 1.00 0.00 C ATOM 985 O GLU A 84 12.152 -1.995 5.968 1.00 0.00 O ATOM 986 CB GLU A 84 10.866 -4.095 8.460 1.00 0.00 C ATOM 987 CG GLU A 84 11.444 -5.426 9.012 1.00 0.00 C ATOM 988 CD GLU A 84 12.027 -6.355 7.955 1.00 0.00 C ATOM 989 OE1 GLU A 84 11.370 -7.219 7.384 1.00 0.00 O ATOM 990 OE2 GLU A 84 13.341 -6.112 7.708 1.00 0.00 O ATOM 0 H GLU A 84 11.331 -1.456 9.504 1.00 0.00 H new ATOM 0 HA GLU A 84 12.882 -3.342 7.867 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.126 -3.722 9.168 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.338 -4.309 7.531 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.221 -5.194 9.740 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.655 -5.955 9.546 1.00 0.00 H new ATOM 998 N VAL A 85 10.385 -1.240 7.151 1.00 0.00 N ATOM 999 CA VAL A 85 9.808 -0.429 6.065 1.00 0.00 C ATOM 1000 C VAL A 85 9.668 1.046 6.529 1.00 0.00 C ATOM 1001 O VAL A 85 10.540 1.632 7.176 1.00 0.00 O ATOM 1002 CB VAL A 85 8.495 -1.213 5.637 1.00 0.00 C ATOM 1003 CG1 VAL A 85 8.772 -2.699 5.299 1.00 0.00 C ATOM 1004 CG2 VAL A 85 7.300 -1.195 6.619 1.00 0.00 C ATOM 0 H VAL A 85 9.872 -1.166 8.030 1.00 0.00 H new ATOM 0 HA VAL A 85 10.421 -0.319 5.170 1.00 0.00 H new ATOM 0 HB VAL A 85 8.198 -0.634 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.840 -3.187 5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.481 -2.758 4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.190 -3.199 6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.474 -1.769 6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.602 -1.637 7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.980 -0.166 6.784 1.00 0.00 H new ATOM 1014 N ILE A 86 8.554 1.644 6.131 1.00 0.00 N ATOM 1015 CA ILE A 86 8.137 2.987 6.564 1.00 0.00 C ATOM 1016 C ILE A 86 6.826 2.892 7.390 1.00 0.00 C ATOM 1017 O ILE A 86 6.033 1.945 7.317 1.00 0.00 O ATOM 1018 CB ILE A 86 8.017 3.996 5.373 1.00 0.00 C ATOM 1019 CG1 ILE A 86 7.015 3.540 4.274 1.00 0.00 C ATOM 1020 CG2 ILE A 86 9.422 4.389 4.885 1.00 0.00 C ATOM 1021 CD1 ILE A 86 6.976 4.398 3.014 1.00 0.00 C ATOM 0 H ILE A 86 7.896 1.208 5.485 1.00 0.00 H new ATOM 0 HA ILE A 86 8.920 3.391 7.206 1.00 0.00 H new ATOM 0 HB ILE A 86 7.551 4.915 5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.260 2.517 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.015 3.518 4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.336 5.091 4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.973 4.857 5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.954 3.498 4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.244 3.989 2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.696 5.418 3.277 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.960 4.402 2.546 1.00 0.00 H new ATOM 1033 N LYS A 87 6.570 3.971 8.123 1.00 0.00 N ATOM 1034 CA LYS A 87 5.319 4.103 8.926 1.00 0.00 C ATOM 1035 C LYS A 87 4.027 4.183 8.061 1.00 0.00 C ATOM 1036 O LYS A 87 2.981 3.659 8.446 1.00 0.00 O ATOM 1037 CB LYS A 87 5.365 5.234 10.000 1.00 0.00 C ATOM 1038 CG LYS A 87 6.689 5.515 10.761 1.00 0.00 C ATOM 1039 CD LYS A 87 7.543 6.610 10.085 1.00 0.00 C ATOM 1040 CE LYS A 87 8.871 6.871 10.806 1.00 0.00 C ATOM 1041 NZ LYS A 87 9.582 7.976 10.132 1.00 0.00 N ATOM 0 H LYS A 87 7.197 4.773 8.190 1.00 0.00 H new ATOM 0 HA LYS A 87 5.267 3.165 9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.067 6.161 9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.602 5.008 10.745 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.459 5.818 11.782 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.269 4.595 10.825 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.747 6.318 9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.970 7.536 10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.688 7.124 11.850 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.485 5.970 10.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.484 8.156 10.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.768 7.716 9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.996 8.835 10.160 1.00 0.00 H new ATOM 1054 N ALA A 88 4.120 4.809 6.875 1.00 0.00 N ATOM 1055 CA ALA A 88 3.066 4.764 5.849 1.00 0.00 C ATOM 1056 C ALA A 88 2.702 3.330 5.410 1.00 0.00 C ATOM 1057 O ALA A 88 1.517 3.059 5.194 1.00 0.00 O ATOM 1058 CB ALA A 88 3.634 5.479 4.622 1.00 0.00 C ATOM 0 H ALA A 88 4.932 5.362 6.601 1.00 0.00 H new ATOM 0 HA ALA A 88 2.166 5.220 6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.892 5.477 3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.883 6.508 4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.532 4.963 4.284 1.00 0.00 H new ATOM 1064 N TRP A 89 3.708 2.424 5.264 1.00 0.00 N ATOM 1065 CA TRP A 89 3.380 1.027 4.953 1.00 0.00 C ATOM 1066 C TRP A 89 2.721 0.297 6.134 1.00 0.00 C ATOM 1067 O TRP A 89 1.779 -0.448 5.898 1.00 0.00 O ATOM 1068 CB TRP A 89 4.592 0.269 4.441 1.00 0.00 C ATOM 1069 CG TRP A 89 5.005 0.584 3.015 1.00 0.00 C ATOM 1070 CD1 TRP A 89 4.681 1.660 2.183 1.00 0.00 C ATOM 1071 CD2 TRP A 89 5.744 -0.248 2.269 1.00 0.00 C ATOM 1072 NE1 TRP A 89 5.150 1.473 0.869 1.00 0.00 N ATOM 1073 CE2 TRP A 89 5.809 0.255 0.950 1.00 0.00 C ATOM 1074 CE3 TRP A 89 6.430 -1.407 2.656 1.00 0.00 C ATOM 1075 CZ2 TRP A 89 6.530 -0.457 -0.028 1.00 0.00 C ATOM 1076 CZ3 TRP A 89 7.188 -2.062 1.701 1.00 0.00 C ATOM 1077 CH2 TRP A 89 7.241 -1.595 0.380 1.00 0.00 C ATOM 0 H TRP A 89 4.703 2.632 5.354 1.00 0.00 H new ATOM 0 HA TRP A 89 2.641 1.055 4.152 1.00 0.00 H new ATOM 0 HB2 TRP A 89 5.435 0.479 5.100 1.00 0.00 H new ATOM 0 HB3 TRP A 89 4.388 -0.799 4.514 1.00 0.00 H new ATOM 0 HD1 TRP A 89 4.135 2.532 2.510 1.00 0.00 H new ATOM 0 HE1 TRP A 89 5.034 2.082 0.059 1.00 0.00 H new ATOM 0 HE3 TRP A 89 6.369 -1.778 3.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 6.535 -0.137 -1.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.746 -2.945 1.977 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.845 -2.125 -0.342 1.00 0.00 H new ATOM 1088 N ASP A 90 3.179 0.501 7.377 1.00 0.00 N ATOM 1089 CA ASP A 90 2.476 -0.087 8.551 1.00 0.00 C ATOM 1090 C ASP A 90 0.993 0.414 8.724 1.00 0.00 C ATOM 1091 O ASP A 90 0.149 -0.376 9.147 1.00 0.00 O ATOM 1092 CB ASP A 90 3.308 0.140 9.847 1.00 0.00 C ATOM 1093 CG ASP A 90 4.830 -0.017 9.815 1.00 0.00 C ATOM 1094 OD1 ASP A 90 5.600 0.753 10.376 1.00 0.00 O ATOM 1095 OD2 ASP A 90 5.247 -1.082 9.083 1.00 0.00 O ATOM 0 H ASP A 90 4.008 1.051 7.604 1.00 0.00 H new ATOM 0 HA ASP A 90 2.395 -1.157 8.359 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.093 1.149 10.198 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.927 -0.548 10.602 1.00 0.00 H new ATOM 1101 N ILE A 91 0.663 1.681 8.377 1.00 0.00 N ATOM 1102 CA ILE A 91 -0.743 2.178 8.367 1.00 0.00 C ATOM 1103 C ILE A 91 -1.575 1.465 7.237 1.00 0.00 C ATOM 1104 O ILE A 91 -2.569 0.778 7.514 1.00 0.00 O ATOM 1105 CB ILE A 91 -0.788 3.763 8.419 1.00 0.00 C ATOM 1106 CG1 ILE A 91 -0.879 4.298 9.880 1.00 0.00 C ATOM 1107 CG2 ILE A 91 -1.974 4.396 7.647 1.00 0.00 C ATOM 1108 CD1 ILE A 91 0.326 3.973 10.783 1.00 0.00 C ATOM 0 H ILE A 91 1.350 2.382 8.099 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.263 1.891 9.281 1.00 0.00 H new ATOM 0 HB ILE A 91 0.147 4.054 7.941 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.003 5.380 9.845 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.778 3.890 10.342 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.928 5.481 7.735 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.916 4.114 6.596 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.914 4.038 8.067 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.160 4.391 11.776 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.443 2.892 10.859 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.230 4.406 10.354 1.00 0.00 H new ATOM 1120 N ALA A 92 -1.138 1.603 5.972 1.00 0.00 N ATOM 1121 CA ALA A 92 -1.808 0.955 4.831 1.00 0.00 C ATOM 1122 C ALA A 92 -1.880 -0.601 4.878 1.00 0.00 C ATOM 1123 O ALA A 92 -2.967 -1.130 4.653 1.00 0.00 O ATOM 1124 CB ALA A 92 -1.119 1.505 3.595 1.00 0.00 C ATOM 0 H ALA A 92 -0.322 2.159 5.714 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.871 1.197 4.843 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.566 1.066 2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.237 2.588 3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.058 1.256 3.629 1.00 0.00 H new ATOM 1130 N VAL A 93 -0.775 -1.316 5.185 1.00 0.00 N ATOM 1131 CA VAL A 93 -0.794 -2.804 5.395 1.00 0.00 C ATOM 1132 C VAL A 93 -1.729 -3.236 6.573 1.00 0.00 C ATOM 1133 O VAL A 93 -2.445 -4.224 6.400 1.00 0.00 O ATOM 1134 CB VAL A 93 0.637 -3.451 5.352 1.00 0.00 C ATOM 1135 CG1 VAL A 93 0.786 -4.818 6.042 1.00 0.00 C ATOM 1136 CG2 VAL A 93 1.119 -3.704 3.907 1.00 0.00 C ATOM 0 H VAL A 93 0.149 -0.897 5.296 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.277 -3.252 4.527 1.00 0.00 H new ATOM 0 HB VAL A 93 1.222 -2.704 5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.815 -5.163 5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.531 -4.722 7.098 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.117 -5.538 5.571 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.112 -4.152 3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.427 -4.380 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.159 -2.759 3.366 1.00 0.00 H new ATOM 1146 N ALA A 94 -1.774 -2.541 7.729 1.00 0.00 N ATOM 1147 CA ALA A 94 -2.807 -2.808 8.771 1.00 0.00 C ATOM 1148 C ALA A 94 -4.287 -2.813 8.199 1.00 0.00 C ATOM 1149 O ALA A 94 -5.091 -3.677 8.554 1.00 0.00 O ATOM 1150 CB ALA A 94 -2.613 -1.806 9.921 1.00 0.00 C ATOM 0 H ALA A 94 -1.118 -1.798 7.970 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.668 -3.820 9.152 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.361 -1.988 10.692 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.617 -1.928 10.346 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.723 -0.790 9.541 1.00 0.00 H new ATOM 1156 N THR A 95 -4.597 -1.892 7.262 1.00 0.00 N ATOM 1157 CA THR A 95 -5.903 -1.860 6.520 1.00 0.00 C ATOM 1158 C THR A 95 -5.810 -2.548 5.086 1.00 0.00 C ATOM 1159 O THR A 95 -6.237 -1.961 4.086 1.00 0.00 O ATOM 1160 CB THR A 95 -6.380 -0.369 6.413 1.00 0.00 C ATOM 1161 OG1 THR A 95 -5.445 0.413 5.668 1.00 0.00 O ATOM 1162 CG2 THR A 95 -6.627 0.367 7.740 1.00 0.00 C ATOM 0 H THR A 95 -3.959 -1.145 6.989 1.00 0.00 H new ATOM 0 HA THR A 95 -6.636 -2.444 7.077 1.00 0.00 H new ATOM 0 HB THR A 95 -7.346 -0.461 5.917 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.687 -0.149 5.402 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.952 1.387 7.535 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.399 -0.153 8.306 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.705 0.390 8.321 1.00 0.00 H new ATOM 1170 N MET A 96 -5.288 -3.791 4.957 1.00 0.00 N ATOM 1171 CA MET A 96 -5.066 -4.461 3.623 1.00 0.00 C ATOM 1172 C MET A 96 -5.459 -5.983 3.602 1.00 0.00 C ATOM 1173 O MET A 96 -5.341 -6.644 4.634 1.00 0.00 O ATOM 1174 CB MET A 96 -3.563 -4.216 3.373 1.00 0.00 C ATOM 1175 CG MET A 96 -3.021 -4.325 1.960 1.00 0.00 C ATOM 1176 SD MET A 96 -1.513 -3.335 1.940 1.00 0.00 S ATOM 1177 CE MET A 96 -0.594 -4.224 0.704 1.00 0.00 C ATOM 0 H MET A 96 -5.008 -4.363 5.754 1.00 0.00 H new ATOM 0 HA MET A 96 -5.705 -4.056 2.838 1.00 0.00 H new ATOM 0 HB2 MET A 96 -3.328 -3.216 3.738 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.008 -4.920 3.993 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.812 -5.363 1.699 1.00 0.00 H new ATOM 0 HG3 MET A 96 -3.743 -3.953 1.233 1.00 0.00 H new ATOM 0 HE1 MET A 96 -0.080 -3.516 0.053 1.00 0.00 H new ATOM 0 HE2 MET A 96 0.139 -4.869 1.189 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.276 -4.833 0.111 1.00 0.00 H new ATOM 1187 N LYS A 97 -5.857 -6.588 2.453 1.00 0.00 N ATOM 1188 CA LYS A 97 -6.404 -7.989 2.435 1.00 0.00 C ATOM 1189 C LYS A 97 -5.629 -9.093 1.608 1.00 0.00 C ATOM 1190 O LYS A 97 -5.100 -8.886 0.502 1.00 0.00 O ATOM 1191 CB LYS A 97 -7.897 -7.892 2.002 1.00 0.00 C ATOM 1192 CG LYS A 97 -8.839 -7.210 3.028 1.00 0.00 C ATOM 1193 CD LYS A 97 -10.279 -7.084 2.501 1.00 0.00 C ATOM 1194 CE LYS A 97 -11.268 -6.415 3.470 1.00 0.00 C ATOM 1195 NZ LYS A 97 -11.031 -4.961 3.567 1.00 0.00 N ATOM 0 H LYS A 97 -5.815 -6.144 1.536 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.269 -8.369 3.448 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.951 -7.343 1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.268 -8.898 1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.842 -7.785 3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.454 -6.219 3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.262 -6.514 1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.649 -8.080 2.257 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -12.288 -6.597 3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.173 -6.867 4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.715 -4.541 4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.065 -4.789 3.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.146 -4.527 2.629 1.00 0.00 H new ATOM 1208 N VAL A 98 -5.712 -10.310 2.197 1.00 0.00 N ATOM 1209 CA VAL A 98 -5.041 -11.602 1.781 1.00 0.00 C ATOM 1210 C VAL A 98 -4.432 -11.941 0.400 1.00 0.00 C ATOM 1211 O VAL A 98 -3.563 -12.806 0.374 1.00 0.00 O ATOM 1212 CB VAL A 98 -5.960 -12.813 2.217 1.00 0.00 C ATOM 1213 CG1 VAL A 98 -6.033 -14.134 1.400 1.00 0.00 C ATOM 1214 CG2 VAL A 98 -5.526 -13.335 3.607 1.00 0.00 C ATOM 0 H VAL A 98 -6.283 -10.443 3.032 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.099 -11.405 2.293 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.923 -12.315 2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.725 -14.823 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.382 -13.918 0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.043 -14.588 1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.165 -14.169 3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.490 -13.670 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.617 -12.534 4.341 1.00 0.00 H new ATOM 1224 N GLY A 99 -4.902 -11.394 -0.701 1.00 0.00 N ATOM 1225 CA GLY A 99 -4.437 -11.857 -2.035 1.00 0.00 C ATOM 1226 C GLY A 99 -4.527 -10.850 -3.177 1.00 0.00 C ATOM 1227 O GLY A 99 -4.101 -11.241 -4.266 1.00 0.00 O ATOM 0 H GLY A 99 -5.592 -10.643 -0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.399 -12.175 -1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.017 -12.738 -2.311 1.00 0.00 H new ATOM 1231 N GLU A 100 -5.047 -9.610 -2.993 1.00 0.00 N ATOM 1232 CA GLU A 100 -5.205 -8.717 -4.208 1.00 0.00 C ATOM 1233 C GLU A 100 -4.337 -7.407 -4.374 1.00 0.00 C ATOM 1234 O GLU A 100 -3.147 -7.420 -4.038 1.00 0.00 O ATOM 1235 CB GLU A 100 -6.705 -8.738 -4.608 1.00 0.00 C ATOM 1236 CG GLU A 100 -7.301 -10.050 -5.205 1.00 0.00 C ATOM 1237 CD GLU A 100 -6.742 -10.546 -6.541 1.00 0.00 C ATOM 1238 OE1 GLU A 100 -6.449 -11.715 -6.760 1.00 0.00 O ATOM 1239 OE2 GLU A 100 -6.631 -9.561 -7.471 1.00 0.00 O ATOM 0 H GLU A 100 -5.347 -9.214 -2.102 1.00 0.00 H new ATOM 0 HA GLU A 100 -4.622 -9.139 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.287 -8.483 -3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -6.865 -7.941 -5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.166 -10.844 -4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.375 -9.906 -5.324 1.00 0.00 H new ATOM 1247 N LEU A 101 -4.885 -6.317 -4.973 1.00 0.00 N ATOM 1248 CA LEU A 101 -4.137 -5.074 -5.330 1.00 0.00 C ATOM 1249 C LEU A 101 -4.824 -3.679 -4.948 1.00 0.00 C ATOM 1250 O LEU A 101 -6.043 -3.492 -5.087 1.00 0.00 O ATOM 1251 CB LEU A 101 -3.816 -5.198 -6.849 1.00 0.00 C ATOM 1252 CG LEU A 101 -2.777 -4.209 -7.427 1.00 0.00 C ATOM 1253 CD1 LEU A 101 -1.461 -4.196 -6.626 1.00 0.00 C ATOM 1254 CD2 LEU A 101 -2.479 -4.559 -8.895 1.00 0.00 C ATOM 0 H LEU A 101 -5.872 -6.273 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.240 -5.024 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.463 -6.211 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.746 -5.075 -7.404 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.213 -3.213 -7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.768 -3.485 -7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.665 -3.903 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.018 -5.192 -6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.746 -3.858 -9.295 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.081 -5.572 -8.954 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.398 -4.495 -9.478 1.00 0.00 H new ATOM 1266 N CYS A 102 -4.020 -2.680 -4.477 1.00 0.00 N ATOM 1267 CA CYS A 102 -4.504 -1.317 -4.083 1.00 0.00 C ATOM 1268 C CYS A 102 -3.496 -0.161 -4.462 1.00 0.00 C ATOM 1269 O CYS A 102 -2.448 -0.405 -5.073 1.00 0.00 O ATOM 1270 CB CYS A 102 -4.688 -1.350 -2.543 1.00 0.00 C ATOM 1271 SG CYS A 102 -5.770 -2.682 -1.974 1.00 0.00 S ATOM 0 H CYS A 102 -3.014 -2.796 -4.359 1.00 0.00 H new ATOM 0 HA CYS A 102 -5.427 -1.099 -4.620 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -3.712 -1.459 -2.071 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -5.097 -0.395 -2.213 1.00 0.00 H new ATOM 0 HG CYS A 102 -5.288 -3.196 -0.882 1.00 0.00 H new ATOM 1277 N ARG A 103 -3.766 1.112 -4.082 1.00 0.00 N ATOM 1278 CA ARG A 103 -2.872 2.249 -4.313 1.00 0.00 C ATOM 1279 C ARG A 103 -2.803 3.170 -3.049 1.00 0.00 C ATOM 1280 O ARG A 103 -3.778 3.489 -2.373 1.00 0.00 O ATOM 1281 CB ARG A 103 -3.157 3.021 -5.617 1.00 0.00 C ATOM 1282 CG ARG A 103 -4.558 2.990 -6.268 1.00 0.00 C ATOM 1283 CD ARG A 103 -4.727 4.039 -7.378 1.00 0.00 C ATOM 1284 NE ARG A 103 -6.001 3.808 -8.109 1.00 0.00 N ATOM 1285 CZ ARG A 103 -6.169 2.978 -9.134 1.00 0.00 C ATOM 1286 NH1 ARG A 103 -5.224 2.245 -9.641 1.00 0.00 N ATOM 1287 NH2 ARG A 103 -7.347 2.893 -9.642 1.00 0.00 N ATOM 0 H ARG A 103 -4.627 1.370 -3.600 1.00 0.00 H new ATOM 0 HA ARG A 103 -1.876 1.834 -4.471 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -2.915 4.067 -5.429 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.450 2.660 -6.363 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.738 1.998 -6.682 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.313 3.157 -5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -4.722 5.040 -6.947 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.887 3.986 -8.070 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.818 4.333 -7.797 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.282 2.285 -9.251 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.424 1.629 -10.429 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.110 3.451 -9.257 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -7.519 2.268 -10.430 1.00 0.00 H new ATOM 1300 N ILE A 104 -1.588 3.620 -2.789 1.00 0.00 N ATOM 1301 CA ILE A 104 -1.207 4.486 -1.643 1.00 0.00 C ATOM 1302 C ILE A 104 -0.919 5.959 -2.174 1.00 0.00 C ATOM 1303 O ILE A 104 -0.110 6.144 -3.092 1.00 0.00 O ATOM 1304 CB ILE A 104 0.083 3.816 -0.974 1.00 0.00 C ATOM 1305 CG1 ILE A 104 -0.073 2.340 -0.453 1.00 0.00 C ATOM 1306 CG2 ILE A 104 0.744 4.713 0.069 1.00 0.00 C ATOM 1307 CD1 ILE A 104 0.562 1.875 0.903 1.00 0.00 C ATOM 0 H ILE A 104 -0.792 3.393 -3.385 1.00 0.00 H new ATOM 0 HA ILE A 104 -1.999 4.569 -0.899 1.00 0.00 H new ATOM 0 HB ILE A 104 0.757 3.719 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.142 2.140 -0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.326 1.687 -1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.613 4.205 0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.060 5.645 -0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.032 4.931 0.865 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.333 0.822 1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.643 2.010 0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.152 2.469 1.720 1.00 0.00 H new ATOM 1319 N THR A 105 -1.540 7.007 -1.586 1.00 0.00 N ATOM 1320 CA THR A 105 -1.242 8.460 -1.915 1.00 0.00 C ATOM 1321 C THR A 105 -0.764 8.985 -0.529 1.00 0.00 C ATOM 1322 O THR A 105 -1.519 8.968 0.456 1.00 0.00 O ATOM 1323 CB THR A 105 -2.436 9.213 -2.550 1.00 0.00 C ATOM 1324 OG1 THR A 105 -2.913 8.493 -3.680 1.00 0.00 O ATOM 1325 CG2 THR A 105 -2.086 10.620 -3.052 1.00 0.00 C ATOM 0 H THR A 105 -2.260 6.893 -0.872 1.00 0.00 H new ATOM 0 HA THR A 105 -0.499 8.609 -2.698 1.00 0.00 H new ATOM 0 HB THR A 105 -3.178 9.298 -1.756 1.00 0.00 H new ATOM 0 HG1 THR A 105 -3.670 8.972 -4.078 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.973 11.084 -3.483 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.729 11.225 -2.219 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.307 10.552 -3.811 1.00 0.00 H new ATOM 1333 N CYS A 106 0.523 9.379 -0.421 1.00 0.00 N ATOM 1334 CA CYS A 106 1.187 9.370 0.910 1.00 0.00 C ATOM 1335 C CYS A 106 2.357 10.401 1.247 1.00 0.00 C ATOM 1336 O CYS A 106 3.310 10.710 0.533 1.00 0.00 O ATOM 1337 CB CYS A 106 1.592 7.862 0.857 1.00 0.00 C ATOM 1338 SG CYS A 106 2.572 7.384 -0.625 1.00 0.00 S ATOM 0 H CYS A 106 1.105 9.694 -1.197 1.00 0.00 H new ATOM 0 HA CYS A 106 0.563 9.727 1.729 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.169 7.623 1.750 1.00 0.00 H new ATOM 0 HB3 CYS A 106 0.687 7.255 0.889 1.00 0.00 H new ATOM 0 HG CYS A 106 2.946 6.144 -0.517 1.00 0.00 H new ATOM 1344 N LYS A 107 2.148 10.846 2.478 1.00 0.00 N ATOM 1345 CA LYS A 107 3.037 11.484 3.483 1.00 0.00 C ATOM 1346 C LYS A 107 4.609 11.640 3.847 1.00 0.00 C ATOM 1347 O LYS A 107 5.157 10.852 4.634 1.00 0.00 O ATOM 1348 CB LYS A 107 2.638 10.278 4.439 1.00 0.00 C ATOM 1349 CG LYS A 107 3.123 8.789 3.987 1.00 0.00 C ATOM 1350 CD LYS A 107 4.508 8.471 3.324 1.00 0.00 C ATOM 1351 CE LYS A 107 4.527 7.508 2.127 1.00 0.00 C ATOM 1352 NZ LYS A 107 5.832 7.137 1.589 1.00 0.00 N ATOM 0 H LYS A 107 1.210 10.761 2.868 1.00 0.00 H new ATOM 0 HA LYS A 107 2.919 12.558 3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.045 10.481 5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.552 10.267 4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.066 8.168 4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.365 8.421 3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 107 4.949 9.414 3.002 1.00 0.00 H new ATOM 0 HD3 LYS A 107 5.161 8.061 4.094 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.011 6.594 2.421 1.00 0.00 H new ATOM 0 HE3 LYS A 107 3.946 7.958 1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 5.775 7.075 0.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.534 7.856 1.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.118 6.215 1.976 1.00 0.00 H new ATOM 1365 N PRO A 108 5.379 12.705 3.533 1.00 0.00 N ATOM 1366 CA PRO A 108 6.797 12.831 4.048 1.00 0.00 C ATOM 1367 C PRO A 108 7.052 12.616 5.602 1.00 0.00 C ATOM 1368 O PRO A 108 8.075 12.048 5.980 1.00 0.00 O ATOM 1369 CB PRO A 108 7.234 14.129 3.364 1.00 0.00 C ATOM 1370 CG PRO A 108 6.621 13.923 1.985 1.00 0.00 C ATOM 1371 CD PRO A 108 5.237 13.303 2.215 1.00 0.00 C ATOM 0 HA PRO A 108 7.449 11.995 3.795 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.844 15.015 3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 108 8.318 14.235 3.326 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.539 14.870 1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 108 7.244 13.267 1.377 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.447 14.053 2.192 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.993 12.560 1.456 1.00 0.00 H new ATOM 1379 N GLU A 109 6.066 12.888 6.481 1.00 0.00 N ATOM 1380 CA GLU A 109 6.125 12.555 7.935 1.00 0.00 C ATOM 1381 C GLU A 109 6.120 11.009 8.252 1.00 0.00 C ATOM 1382 O GLU A 109 6.872 10.538 9.107 1.00 0.00 O ATOM 1383 CB GLU A 109 4.969 13.368 8.599 1.00 0.00 C ATOM 1384 CG GLU A 109 4.751 13.213 10.130 1.00 0.00 C ATOM 1385 CD GLU A 109 3.558 14.002 10.691 1.00 0.00 C ATOM 1386 OE1 GLU A 109 3.641 14.814 11.612 1.00 0.00 O ATOM 1387 OE2 GLU A 109 2.386 13.685 10.072 1.00 0.00 O ATOM 0 H GLU A 109 5.197 13.348 6.209 1.00 0.00 H new ATOM 0 HA GLU A 109 7.085 12.844 8.362 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.142 14.424 8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.039 13.094 8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.610 12.156 10.358 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.656 13.533 10.646 1.00 0.00 H new ATOM 1395 N TYR A 110 5.274 10.232 7.561 1.00 0.00 N ATOM 1396 CA TYR A 110 5.255 8.749 7.603 1.00 0.00 C ATOM 1397 C TYR A 110 6.398 8.078 6.733 1.00 0.00 C ATOM 1398 O TYR A 110 6.404 6.845 6.657 1.00 0.00 O ATOM 1399 CB TYR A 110 3.825 8.358 7.115 1.00 0.00 C ATOM 1400 CG TYR A 110 2.635 8.498 8.054 1.00 0.00 C ATOM 1401 CD1 TYR A 110 2.011 9.733 8.239 1.00 0.00 C ATOM 1402 CD2 TYR A 110 2.145 7.376 8.728 1.00 0.00 C ATOM 1403 CE1 TYR A 110 1.037 9.874 9.216 1.00 0.00 C ATOM 1404 CE2 TYR A 110 1.170 7.519 9.705 1.00 0.00 C ATOM 1405 CZ TYR A 110 0.658 8.778 9.987 1.00 0.00 C ATOM 1406 OH TYR A 110 -0.144 8.928 11.075 1.00 0.00 O ATOM 0 H TYR A 110 4.564 10.619 6.940 1.00 0.00 H new ATOM 0 HA TYR A 110 5.461 8.381 8.608 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.610 8.955 6.229 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.865 7.317 6.796 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.286 10.576 7.623 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.526 6.395 8.488 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.572 10.835 9.379 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.811 6.654 10.244 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.303 8.053 11.487 1.00 0.00 H new ATOM 1416 N ALA A 111 7.345 8.821 6.087 1.00 0.00 N ATOM 1417 CA ALA A 111 8.412 8.201 5.231 1.00 0.00 C ATOM 1418 C ALA A 111 9.841 8.873 5.339 1.00 0.00 C ATOM 1419 O ALA A 111 10.554 8.624 6.311 1.00 0.00 O ATOM 1420 CB ALA A 111 7.870 8.187 3.799 1.00 0.00 C ATOM 0 H ALA A 111 7.394 9.838 6.139 1.00 0.00 H new ATOM 0 HA ALA A 111 8.609 7.192 5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 111 8.611 7.744 3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.953 7.599 3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.660 9.208 3.480 1.00 0.00 H new ATOM 1426 N TYR A 112 10.265 9.693 4.339 1.00 0.00 N ATOM 1427 CA TYR A 112 11.628 10.330 4.280 1.00 0.00 C ATOM 1428 C TYR A 112 11.612 11.915 4.331 1.00 0.00 C ATOM 1429 O TYR A 112 12.657 12.509 4.050 1.00 0.00 O ATOM 1430 CB TYR A 112 12.519 9.777 3.086 1.00 0.00 C ATOM 1431 CG TYR A 112 12.225 8.364 2.509 1.00 0.00 C ATOM 1432 CD1 TYR A 112 11.121 8.106 1.680 1.00 0.00 C ATOM 1433 CD2 TYR A 112 13.077 7.309 2.842 1.00 0.00 C ATOM 1434 CE1 TYR A 112 10.834 6.794 1.290 1.00 0.00 C ATOM 1435 CE2 TYR A 112 12.800 6.010 2.423 1.00 0.00 C ATOM 1436 CZ TYR A 112 11.667 5.753 1.665 1.00 0.00 C ATOM 1437 OH TYR A 112 11.372 4.477 1.266 1.00 0.00 O ATOM 0 H TYR A 112 9.675 9.937 3.544 1.00 0.00 H new ATOM 0 HA TYR A 112 12.111 10.019 5.206 1.00 0.00 H new ATOM 0 HB2 TYR A 112 12.444 10.489 2.264 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.556 9.785 3.420 1.00 0.00 H new ATOM 0 HD1 TYR A 112 10.495 8.919 1.344 1.00 0.00 H new ATOM 0 HD2 TYR A 112 13.961 7.503 3.431 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.957 6.591 0.693 1.00 0.00 H new ATOM 0 HE2 TYR A 112 13.467 5.203 2.688 1.00 0.00 H new ATOM 0 HH TYR A 112 12.053 3.861 1.609 1.00 0.00 H new ATOM 1447 N GLY A 113 10.503 12.640 4.658 1.00 0.00 N ATOM 1448 CA GLY A 113 10.498 14.131 4.768 1.00 0.00 C ATOM 1449 C GLY A 113 11.575 14.851 5.616 1.00 0.00 C ATOM 1450 O GLY A 113 12.166 14.281 6.534 1.00 0.00 O ATOM 0 H GLY A 113 9.597 12.214 4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.563 14.530 3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.525 14.423 5.164 1.00 0.00 H new ATOM 1454 N SER A 114 11.818 16.133 5.290 1.00 0.00 N ATOM 1455 CA SER A 114 12.890 16.975 5.921 1.00 0.00 C ATOM 1456 C SER A 114 14.355 16.617 5.476 1.00 0.00 C ATOM 1457 O SER A 114 15.131 17.518 5.155 1.00 0.00 O ATOM 1458 CB SER A 114 12.740 17.152 7.453 1.00 0.00 C ATOM 1459 OG SER A 114 13.553 18.229 7.923 1.00 0.00 O ATOM 0 H SER A 114 11.282 16.631 4.579 1.00 0.00 H new ATOM 0 HA SER A 114 12.712 17.965 5.501 1.00 0.00 H new ATOM 0 HB2 SER A 114 11.696 17.344 7.701 1.00 0.00 H new ATOM 0 HB3 SER A 114 13.023 16.229 7.959 1.00 0.00 H new ATOM 0 HG SER A 114 13.442 18.324 8.892 1.00 0.00 H new ATOM 1465 N ALA A 115 14.731 15.329 5.481 1.00 0.00 N ATOM 1466 CA ALA A 115 16.066 14.845 5.042 1.00 0.00 C ATOM 1467 C ALA A 115 16.170 14.373 3.549 1.00 0.00 C ATOM 1468 O ALA A 115 17.047 14.850 2.824 1.00 0.00 O ATOM 1469 CB ALA A 115 16.485 13.757 6.052 1.00 0.00 C ATOM 0 H ALA A 115 14.115 14.578 5.792 1.00 0.00 H new ATOM 0 HA ALA A 115 16.759 15.686 5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 115 17.464 13.363 5.778 1.00 0.00 H new ATOM 0 HB2 ALA A 115 16.535 14.188 7.052 1.00 0.00 H new ATOM 0 HB3 ALA A 115 15.753 12.949 6.041 1.00 0.00 H new ATOM 1475 N GLY A 116 15.298 13.460 3.088 1.00 0.00 N ATOM 1476 CA GLY A 116 15.339 12.880 1.732 1.00 0.00 C ATOM 1477 C GLY A 116 15.875 11.429 1.720 1.00 0.00 C ATOM 1478 O GLY A 116 16.702 11.030 2.548 1.00 0.00 O ATOM 0 H GLY A 116 14.532 13.098 3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 116 14.337 12.896 1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 116 15.968 13.501 1.094 1.00 0.00 H new ATOM 1482 N SER A 117 15.388 10.613 0.780 1.00 0.00 N ATOM 1483 CA SER A 117 15.840 9.199 0.667 1.00 0.00 C ATOM 1484 C SER A 117 17.170 9.042 -0.166 1.00 0.00 C ATOM 1485 O SER A 117 17.267 9.699 -1.210 1.00 0.00 O ATOM 1486 CB SER A 117 14.787 8.319 -0.022 1.00 0.00 C ATOM 1487 OG SER A 117 15.069 6.933 0.180 1.00 0.00 O ATOM 0 H SER A 117 14.690 10.890 0.090 1.00 0.00 H new ATOM 0 HA SER A 117 16.007 8.882 1.697 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.798 8.554 0.371 1.00 0.00 H new ATOM 0 HB3 SER A 117 14.766 8.538 -1.090 1.00 0.00 H new ATOM 0 HG SER A 117 14.486 6.580 0.884 1.00 0.00 H new ATOM 1493 N PRO A 118 18.138 8.128 0.152 1.00 0.00 N ATOM 1494 CA PRO A 118 19.376 7.950 -0.668 1.00 0.00 C ATOM 1495 C PRO A 118 19.273 7.746 -2.234 1.00 0.00 C ATOM 1496 O PRO A 118 20.125 8.337 -2.904 1.00 0.00 O ATOM 1497 CB PRO A 118 20.119 6.824 0.072 1.00 0.00 C ATOM 1498 CG PRO A 118 19.683 6.986 1.531 1.00 0.00 C ATOM 1499 CD PRO A 118 18.229 7.459 1.468 1.00 0.00 C ATOM 0 HA PRO A 118 19.903 8.903 -0.719 1.00 0.00 H new ATOM 0 HB2 PRO A 118 19.848 5.843 -0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 118 21.199 6.922 -0.035 1.00 0.00 H new ATOM 0 HG2 PRO A 118 19.767 6.044 2.073 1.00 0.00 H new ATOM 0 HG3 PRO A 118 20.310 7.710 2.051 1.00 0.00 H new ATOM 0 HD2 PRO A 118 17.532 6.624 1.542 1.00 0.00 H new ATOM 0 HD3 PRO A 118 17.994 8.144 2.283 1.00 0.00 H new ATOM 1507 N PRO A 119 18.324 6.992 -2.885 1.00 0.00 N ATOM 1508 CA PRO A 119 18.273 6.873 -4.374 1.00 0.00 C ATOM 1509 C PRO A 119 17.925 8.184 -5.163 1.00 0.00 C ATOM 1510 O PRO A 119 18.744 8.645 -5.959 1.00 0.00 O ATOM 1511 CB PRO A 119 17.303 5.689 -4.604 1.00 0.00 C ATOM 1512 CG PRO A 119 17.273 4.937 -3.272 1.00 0.00 C ATOM 1513 CD PRO A 119 17.425 6.034 -2.219 1.00 0.00 C ATOM 0 HA PRO A 119 19.263 6.691 -4.793 1.00 0.00 H new ATOM 0 HB2 PRO A 119 16.309 6.041 -4.881 1.00 0.00 H new ATOM 0 HB3 PRO A 119 17.650 5.046 -5.413 1.00 0.00 H new ATOM 0 HG2 PRO A 119 16.339 4.389 -3.145 1.00 0.00 H new ATOM 0 HG3 PRO A 119 18.081 4.208 -3.208 1.00 0.00 H new ATOM 0 HD2 PRO A 119 16.467 6.487 -1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 119 17.854 5.651 -1.293 1.00 0.00 H new ATOM 1521 N LYS A 120 16.720 8.756 -4.966 1.00 0.00 N ATOM 1522 CA LYS A 120 16.287 10.028 -5.627 1.00 0.00 C ATOM 1523 C LYS A 120 14.962 10.662 -5.042 1.00 0.00 C ATOM 1524 O LYS A 120 13.947 10.829 -5.729 1.00 0.00 O ATOM 1525 CB LYS A 120 16.221 9.971 -7.160 1.00 0.00 C ATOM 1526 CG LYS A 120 15.326 8.916 -7.854 1.00 0.00 C ATOM 1527 CD LYS A 120 15.291 9.129 -9.380 1.00 0.00 C ATOM 1528 CE LYS A 120 14.349 8.143 -10.083 1.00 0.00 C ATOM 1529 NZ LYS A 120 14.351 8.404 -11.534 1.00 0.00 N ATOM 0 H LYS A 120 16.013 8.359 -4.348 1.00 0.00 H new ATOM 0 HA LYS A 120 17.106 10.700 -5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 120 15.897 10.952 -7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 120 17.238 9.824 -7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 120 15.700 7.916 -7.633 1.00 0.00 H new ATOM 0 HG3 LYS A 120 14.314 8.974 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.972 10.149 -9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 120 16.297 9.017 -9.784 1.00 0.00 H new ATOM 0 HE2 LYS A 120 14.667 7.119 -9.887 1.00 0.00 H new ATOM 0 HE3 LYS A 120 13.339 8.245 -9.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 13.712 7.734 -12.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.028 9.376 -11.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 15.315 8.286 -11.907 1.00 0.00 H new ATOM 1542 N ILE A 121 14.978 11.052 -3.769 1.00 0.00 N ATOM 1543 CA ILE A 121 13.815 11.718 -3.094 1.00 0.00 C ATOM 1544 C ILE A 121 14.329 13.069 -2.462 1.00 0.00 C ATOM 1545 O ILE A 121 15.096 12.992 -1.494 1.00 0.00 O ATOM 1546 CB ILE A 121 13.067 10.818 -2.055 1.00 0.00 C ATOM 1547 CG1 ILE A 121 12.528 9.506 -2.692 1.00 0.00 C ATOM 1548 CG2 ILE A 121 11.905 11.599 -1.363 1.00 0.00 C ATOM 1549 CD1 ILE A 121 11.845 8.499 -1.768 1.00 0.00 C ATOM 0 H ILE A 121 15.786 10.925 -3.159 1.00 0.00 H new ATOM 0 HA ILE A 121 13.052 11.917 -3.847 1.00 0.00 H new ATOM 0 HB ILE A 121 13.802 10.541 -1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 121 11.819 9.779 -3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 121 13.362 9.002 -3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 121 11.404 10.947 -0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 121 12.309 12.467 -0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 121 11.189 11.928 -2.116 1.00 0.00 H new ATOM 0 HD11 ILE A 121 11.521 7.635 -2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 121 12.547 8.177 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 121 10.980 8.966 -1.297 1.00 0.00 H new ATOM 1561 N PRO A 122 13.924 14.298 -2.904 1.00 0.00 N ATOM 1562 CA PRO A 122 14.367 15.569 -2.260 1.00 0.00 C ATOM 1563 C PRO A 122 13.834 15.803 -0.788 1.00 0.00 C ATOM 1564 O PRO A 122 12.890 15.116 -0.372 1.00 0.00 O ATOM 1565 CB PRO A 122 13.838 16.634 -3.252 1.00 0.00 C ATOM 1566 CG PRO A 122 13.581 15.897 -4.566 1.00 0.00 C ATOM 1567 CD PRO A 122 13.120 14.514 -4.120 1.00 0.00 C ATOM 0 HA PRO A 122 15.445 15.587 -2.103 1.00 0.00 H new ATOM 0 HB2 PRO A 122 12.924 17.095 -2.878 1.00 0.00 H new ATOM 0 HB3 PRO A 122 14.565 17.434 -3.390 1.00 0.00 H new ATOM 0 HG2 PRO A 122 12.821 16.399 -5.165 1.00 0.00 H new ATOM 0 HG3 PRO A 122 14.482 15.841 -5.177 1.00 0.00 H new ATOM 0 HD2 PRO A 122 12.050 14.488 -3.911 1.00 0.00 H new ATOM 0 HD3 PRO A 122 13.315 13.755 -4.878 1.00 0.00 H new ATOM 1575 N PRO A 123 14.367 16.760 0.032 1.00 0.00 N ATOM 1576 CA PRO A 123 13.856 17.013 1.410 1.00 0.00 C ATOM 1577 C PRO A 123 12.391 17.584 1.418 1.00 0.00 C ATOM 1578 O PRO A 123 12.121 18.681 0.924 1.00 0.00 O ATOM 1579 CB PRO A 123 14.921 17.970 1.980 1.00 0.00 C ATOM 1580 CG PRO A 123 15.534 18.667 0.764 1.00 0.00 C ATOM 1581 CD PRO A 123 15.539 17.588 -0.317 1.00 0.00 C ATOM 0 HA PRO A 123 13.743 16.114 2.016 1.00 0.00 H new ATOM 0 HB2 PRO A 123 14.474 18.692 2.663 1.00 0.00 H new ATOM 0 HB3 PRO A 123 15.678 17.424 2.543 1.00 0.00 H new ATOM 0 HG2 PRO A 123 14.945 19.533 0.461 1.00 0.00 H new ATOM 0 HG3 PRO A 123 16.542 19.025 0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 123 15.447 18.017 -1.315 1.00 0.00 H new ATOM 0 HD3 PRO A 123 16.461 17.007 -0.303 1.00 0.00 H new ATOM 1589 N ASN A 124 11.453 16.809 1.996 1.00 0.00 N ATOM 1590 CA ASN A 124 9.993 17.124 2.069 1.00 0.00 C ATOM 1591 C ASN A 124 9.243 17.110 0.667 1.00 0.00 C ATOM 1592 O ASN A 124 8.551 18.067 0.311 1.00 0.00 O ATOM 1593 CB ASN A 124 9.797 18.384 2.954 1.00 0.00 C ATOM 1594 CG ASN A 124 8.381 18.612 3.503 1.00 0.00 C ATOM 1595 OD1 ASN A 124 7.508 17.755 3.440 1.00 0.00 O ATOM 1596 ND2 ASN A 124 8.091 19.721 4.137 1.00 0.00 N ATOM 0 H ASN A 124 11.685 15.920 2.440 1.00 0.00 H new ATOM 0 HA ASN A 124 9.471 16.307 2.566 1.00 0.00 H new ATOM 0 HB2 ASN A 124 10.485 18.321 3.797 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.084 19.260 2.372 1.00 0.00 H new ATOM 0 HD21 ASN A 124 7.168 19.844 4.554 1.00 0.00 H new ATOM 0 HD22 ASN A 124 8.788 20.462 4.214 1.00 0.00 H new ATOM 1603 N ALA A 125 9.353 16.014 -0.116 1.00 0.00 N ATOM 1604 CA ALA A 125 8.685 15.860 -1.441 1.00 0.00 C ATOM 1605 C ALA A 125 7.638 14.704 -1.352 1.00 0.00 C ATOM 1606 O ALA A 125 7.988 13.608 -0.897 1.00 0.00 O ATOM 1607 CB ALA A 125 9.812 15.568 -2.449 1.00 0.00 C ATOM 0 H ALA A 125 9.910 15.202 0.150 1.00 0.00 H new ATOM 0 HA ALA A 125 8.137 16.749 -1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 125 9.386 15.444 -3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 125 10.518 16.399 -2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 125 10.331 14.654 -2.160 1.00 0.00 H new ATOM 1613 N THR A 126 6.371 14.888 -1.791 1.00 0.00 N ATOM 1614 CA THR A 126 5.308 13.853 -1.585 1.00 0.00 C ATOM 1615 C THR A 126 5.571 12.462 -2.318 1.00 0.00 C ATOM 1616 O THR A 126 6.290 12.429 -3.322 1.00 0.00 O ATOM 1617 CB THR A 126 3.874 14.458 -1.742 1.00 0.00 C ATOM 1618 OG1 THR A 126 3.787 15.753 -1.154 1.00 0.00 O ATOM 1619 CG2 THR A 126 2.777 13.660 -1.017 1.00 0.00 C ATOM 0 H THR A 126 6.055 15.724 -2.282 1.00 0.00 H new ATOM 0 HA THR A 126 5.371 13.546 -0.541 1.00 0.00 H new ATOM 0 HB THR A 126 3.718 14.454 -2.821 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.880 16.105 -1.270 1.00 0.00 H new ATOM 0 HG21 THR A 126 1.812 14.143 -1.173 1.00 0.00 H new ATOM 0 HG22 THR A 126 2.743 12.645 -1.413 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.997 13.626 0.050 1.00 0.00 H new ATOM 1627 N LEU A 127 5.053 11.310 -1.831 1.00 0.00 N ATOM 1628 CA LEU A 127 5.301 9.973 -2.451 1.00 0.00 C ATOM 1629 C LEU A 127 3.978 9.298 -2.931 1.00 0.00 C ATOM 1630 O LEU A 127 2.848 9.731 -2.665 1.00 0.00 O ATOM 1631 CB LEU A 127 6.103 9.104 -1.421 1.00 0.00 C ATOM 1632 CG LEU A 127 7.642 9.278 -1.283 1.00 0.00 C ATOM 1633 CD1 LEU A 127 8.221 8.068 -0.556 1.00 0.00 C ATOM 1634 CD2 LEU A 127 8.385 9.355 -2.618 1.00 0.00 C ATOM 0 H LEU A 127 4.456 11.273 -1.005 1.00 0.00 H new ATOM 0 HA LEU A 127 5.897 10.082 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.668 9.284 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.916 8.058 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 127 7.779 10.218 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.300 8.185 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.772 7.989 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.005 7.164 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 127 9.452 9.476 -2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.216 8.438 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 127 8.017 10.206 -3.191 1.00 0.00 H new ATOM 1646 N VAL A 128 4.164 8.181 -3.641 1.00 0.00 N ATOM 1647 CA VAL A 128 3.076 7.433 -4.324 1.00 0.00 C ATOM 1648 C VAL A 128 3.485 5.916 -4.383 1.00 0.00 C ATOM 1649 O VAL A 128 4.597 5.617 -4.820 1.00 0.00 O ATOM 1650 CB VAL A 128 2.948 8.066 -5.777 1.00 0.00 C ATOM 1651 CG1 VAL A 128 1.847 7.487 -6.669 1.00 0.00 C ATOM 1652 CG2 VAL A 128 2.777 9.607 -5.916 1.00 0.00 C ATOM 0 H VAL A 128 5.083 7.756 -3.766 1.00 0.00 H new ATOM 0 HA VAL A 128 2.119 7.500 -3.807 1.00 0.00 H new ATOM 0 HB VAL A 128 3.949 7.780 -6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.855 7.995 -7.633 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.023 6.422 -6.819 1.00 0.00 H new ATOM 0 HG13 VAL A 128 0.878 7.631 -6.191 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.705 9.871 -6.971 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.869 9.920 -5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.637 10.110 -5.474 1.00 0.00 H new ATOM 1662 N PHE A 129 2.670 4.941 -3.935 1.00 0.00 N ATOM 1663 CA PHE A 129 3.025 3.478 -4.124 1.00 0.00 C ATOM 1664 C PHE A 129 1.756 2.626 -4.448 1.00 0.00 C ATOM 1665 O PHE A 129 0.776 2.605 -3.718 1.00 0.00 O ATOM 1666 CB PHE A 129 3.874 2.758 -3.047 1.00 0.00 C ATOM 1667 CG PHE A 129 5.280 3.189 -2.637 1.00 0.00 C ATOM 1668 CD1 PHE A 129 5.441 4.210 -1.699 1.00 0.00 C ATOM 1669 CD2 PHE A 129 6.378 2.392 -2.985 1.00 0.00 C ATOM 1670 CE1 PHE A 129 6.688 4.444 -1.126 1.00 0.00 C ATOM 1671 CE2 PHE A 129 7.624 2.629 -2.411 1.00 0.00 C ATOM 1672 CZ PHE A 129 7.778 3.650 -1.477 1.00 0.00 C ATOM 0 H PHE A 129 1.786 5.107 -3.453 1.00 0.00 H new ATOM 0 HA PHE A 129 3.711 3.541 -4.968 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.277 2.763 -2.135 1.00 0.00 H new ATOM 0 HB3 PHE A 129 3.956 1.720 -3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 129 4.596 4.820 -1.417 1.00 0.00 H new ATOM 0 HD2 PHE A 129 6.258 1.592 -3.700 1.00 0.00 H new ATOM 0 HE1 PHE A 129 6.811 5.242 -0.409 1.00 0.00 H new ATOM 0 HE2 PHE A 129 8.471 2.021 -2.690 1.00 0.00 H new ATOM 0 HZ PHE A 129 8.743 3.827 -1.024 1.00 0.00 H new ATOM 1682 N GLU A 130 1.782 1.853 -5.526 1.00 0.00 N ATOM 1683 CA GLU A 130 0.663 0.940 -5.909 1.00 0.00 C ATOM 1684 C GLU A 130 1.048 -0.466 -5.412 1.00 0.00 C ATOM 1685 O GLU A 130 1.914 -1.135 -5.977 1.00 0.00 O ATOM 1686 CB GLU A 130 0.406 1.144 -7.406 1.00 0.00 C ATOM 1687 CG GLU A 130 -0.837 0.583 -8.092 1.00 0.00 C ATOM 1688 CD GLU A 130 -0.862 -0.906 -8.398 1.00 0.00 C ATOM 1689 OE1 GLU A 130 0.129 -1.608 -8.567 1.00 0.00 O ATOM 1690 OE2 GLU A 130 -2.131 -1.363 -8.499 1.00 0.00 O ATOM 0 H GLU A 130 2.570 1.826 -6.173 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.304 1.136 -5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.405 2.220 -7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 130 1.268 0.735 -7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.699 0.811 -7.465 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -0.974 1.121 -9.030 1.00 0.00 H new ATOM 1698 N VAL A 131 0.456 -0.852 -4.278 1.00 0.00 N ATOM 1699 CA VAL A 131 0.864 -2.066 -3.554 1.00 0.00 C ATOM 1700 C VAL A 131 -0.368 -2.914 -3.182 1.00 0.00 C ATOM 1701 O VAL A 131 -1.393 -2.384 -2.744 1.00 0.00 O ATOM 1702 CB VAL A 131 1.577 -1.643 -2.205 1.00 0.00 C ATOM 1703 CG1 VAL A 131 2.365 -2.806 -1.550 1.00 0.00 C ATOM 1704 CG2 VAL A 131 2.538 -0.435 -2.242 1.00 0.00 C ATOM 0 H VAL A 131 -0.310 -0.342 -3.838 1.00 0.00 H new ATOM 0 HA VAL A 131 1.531 -2.643 -4.194 1.00 0.00 H new ATOM 0 HB VAL A 131 0.705 -1.342 -1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 131 2.832 -2.456 -0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.683 -3.625 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 131 3.135 -3.156 -2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.949 -0.266 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 131 3.350 -0.637 -2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 131 1.994 0.453 -2.565 1.00 0.00 H new ATOM 1714 N GLU A 132 -0.226 -4.241 -3.302 1.00 0.00 N ATOM 1715 CA GLU A 132 -1.203 -5.224 -2.669 1.00 0.00 C ATOM 1716 C GLU A 132 -0.401 -6.419 -2.045 1.00 0.00 C ATOM 1717 O GLU A 132 0.827 -6.391 -1.893 1.00 0.00 O ATOM 1718 CB GLU A 132 -2.715 -4.884 -2.159 1.00 0.00 C ATOM 1719 CG GLU A 132 -3.614 -5.881 -1.336 1.00 0.00 C ATOM 1720 CD GLU A 132 -5.095 -5.574 -1.098 1.00 0.00 C ATOM 1721 OE1 GLU A 132 -5.526 -4.989 -0.109 1.00 0.00 O ATOM 1722 OE2 GLU A 132 -5.892 -6.094 -2.067 1.00 0.00 O ATOM 0 H GLU A 132 0.535 -4.683 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 132 -1.846 -5.485 -3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -2.636 -3.978 -1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -3.286 -4.626 -3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -3.562 -6.849 -1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -3.149 -6.001 -0.358 1.00 0.00 H new ATOM 1730 N LEU A 133 -1.126 -7.432 -1.611 1.00 0.00 N ATOM 1731 CA LEU A 133 -0.624 -8.469 -0.680 1.00 0.00 C ATOM 1732 C LEU A 133 -1.117 -9.901 -1.005 1.00 0.00 C ATOM 1733 O LEU A 133 -2.318 -10.159 -1.075 1.00 0.00 O ATOM 1734 CB LEU A 133 -1.158 -7.931 0.683 1.00 0.00 C ATOM 1735 CG LEU A 133 -0.733 -8.568 2.003 1.00 0.00 C ATOM 1736 CD1 LEU A 133 0.775 -8.656 2.199 1.00 0.00 C ATOM 1737 CD2 LEU A 133 -1.283 -7.689 3.152 1.00 0.00 C ATOM 0 H LEU A 133 -2.097 -7.575 -1.889 1.00 0.00 H new ATOM 0 HA LEU A 133 0.457 -8.599 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.889 -6.876 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -2.246 -7.980 0.641 1.00 0.00 H new ATOM 0 HG LEU A 133 -1.124 -9.586 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 133 0.990 -9.121 3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 133 1.211 -9.256 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.204 -7.654 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -0.994 -8.121 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -0.872 -6.683 3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -2.370 -7.644 3.087 1.00 0.00 H new ATOM 1749 N PHE A 134 -0.147 -10.810 -1.118 1.00 0.00 N ATOM 1750 CA PHE A 134 -0.342 -12.242 -1.479 1.00 0.00 C ATOM 1751 C PHE A 134 -0.819 -13.235 -0.365 1.00 0.00 C ATOM 1752 O PHE A 134 -1.495 -14.216 -0.679 1.00 0.00 O ATOM 1753 CB PHE A 134 1.010 -12.772 -2.038 1.00 0.00 C ATOM 1754 CG PHE A 134 1.591 -12.106 -3.297 1.00 0.00 C ATOM 1755 CD1 PHE A 134 0.880 -12.101 -4.505 1.00 0.00 C ATOM 1756 CD2 PHE A 134 2.846 -11.488 -3.241 1.00 0.00 C ATOM 1757 CE1 PHE A 134 1.435 -11.523 -5.640 1.00 0.00 C ATOM 1758 CE2 PHE A 134 3.395 -10.913 -4.376 1.00 0.00 C ATOM 1759 CZ PHE A 134 2.710 -10.983 -5.584 1.00 0.00 C ATOM 0 H PHE A 134 0.833 -10.576 -0.958 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.171 -12.226 -2.187 1.00 0.00 H new ATOM 0 HB2 PHE A 134 1.753 -12.688 -1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 134 0.888 -13.834 -2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -0.102 -12.548 -4.554 1.00 0.00 H new ATOM 0 HD2 PHE A 134 3.389 -11.459 -2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 134 0.875 -11.495 -6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 134 4.351 -10.413 -4.323 1.00 0.00 H new ATOM 0 HZ PHE A 134 3.175 -10.614 -6.486 1.00 0.00 H new ATOM 1769 N GLU A 135 -0.368 -13.016 0.877 1.00 0.00 N ATOM 1770 CA GLU A 135 -0.677 -13.810 2.108 1.00 0.00 C ATOM 1771 C GLU A 135 0.192 -13.201 3.280 1.00 0.00 C ATOM 1772 O GLU A 135 1.205 -12.512 3.087 1.00 0.00 O ATOM 1773 CB GLU A 135 -0.405 -15.347 1.921 1.00 0.00 C ATOM 1774 CG GLU A 135 -0.726 -16.317 3.095 1.00 0.00 C ATOM 1775 CD GLU A 135 -2.155 -16.253 3.637 1.00 0.00 C ATOM 1776 OE1 GLU A 135 -2.512 -15.474 4.515 1.00 0.00 O ATOM 1777 OE2 GLU A 135 -2.982 -17.149 3.038 1.00 0.00 O ATOM 0 H GLU A 135 0.260 -12.238 1.078 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.740 -13.739 2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.976 -15.679 1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.650 -15.467 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -0.528 -17.336 2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -0.037 -16.108 3.913 1.00 0.00 H new ATOM 1785 N PHE A 136 -0.214 -13.462 4.525 1.00 0.00 N ATOM 1786 CA PHE A 136 0.490 -12.965 5.745 1.00 0.00 C ATOM 1787 C PHE A 136 0.415 -14.041 6.865 1.00 0.00 C ATOM 1788 O PHE A 136 1.257 -14.940 6.927 1.00 0.00 O ATOM 1789 CB PHE A 136 0.043 -11.525 6.166 1.00 0.00 C ATOM 1790 CG PHE A 136 -1.415 -11.133 5.956 1.00 0.00 C ATOM 1791 CD1 PHE A 136 -2.432 -11.436 6.863 1.00 0.00 C ATOM 1792 CD2 PHE A 136 -1.733 -10.531 4.746 1.00 0.00 C ATOM 1793 CE1 PHE A 136 -3.761 -11.237 6.509 1.00 0.00 C ATOM 1794 CE2 PHE A 136 -3.048 -10.271 4.417 1.00 0.00 C ATOM 1795 CZ PHE A 136 -4.062 -10.649 5.281 1.00 0.00 C ATOM 0 H PHE A 136 -1.040 -14.023 4.733 1.00 0.00 H new ATOM 0 HA PHE A 136 1.547 -12.827 5.519 1.00 0.00 H new ATOM 0 HB2 PHE A 136 0.272 -11.402 7.225 1.00 0.00 H new ATOM 0 HB3 PHE A 136 0.661 -10.812 5.621 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -2.186 -11.825 7.840 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -0.945 -10.264 4.057 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -4.554 -11.535 7.179 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -3.286 -9.774 3.488 1.00 0.00 H new ATOM 0 HZ PHE A 136 -5.093 -10.487 5.002 1.00 0.00 H new ATOM 1805 N LYS A 137 -0.604 -13.975 7.734 1.00 0.00 N ATOM 1806 CA LYS A 137 -0.805 -14.962 8.836 1.00 0.00 C ATOM 1807 C LYS A 137 -1.498 -16.319 8.424 1.00 0.00 C ATOM 1808 O LYS A 137 -2.490 -16.769 9.002 1.00 0.00 O ATOM 1809 CB LYS A 137 -1.477 -14.247 10.046 1.00 0.00 C ATOM 1810 CG LYS A 137 -0.932 -14.791 11.385 1.00 0.00 C ATOM 1811 CD LYS A 137 -1.502 -14.136 12.655 1.00 0.00 C ATOM 1812 CE LYS A 137 -2.890 -14.665 13.045 1.00 0.00 C ATOM 1813 NZ LYS A 137 -3.243 -14.155 14.383 1.00 0.00 N ATOM 0 H LYS A 137 -1.315 -13.245 7.704 1.00 0.00 H new ATOM 0 HA LYS A 137 0.183 -15.312 9.135 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -1.296 -13.174 9.985 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -2.557 -14.391 10.004 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -1.133 -15.861 11.429 1.00 0.00 H new ATOM 0 HG3 LYS A 137 0.151 -14.669 11.391 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -0.812 -14.304 13.482 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -1.562 -13.058 12.503 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -3.633 -14.347 12.313 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -2.890 -15.755 13.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -4.273 -14.020 14.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -2.941 -14.839 15.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -2.765 -13.246 14.545 1.00 0.00 H new ATOM 1826 N GLY A 138 -0.895 -16.994 7.441 1.00 0.00 N ATOM 1827 CA GLY A 138 -1.327 -18.340 6.958 1.00 0.00 C ATOM 1828 C GLY A 138 -0.555 -19.546 7.588 1.00 0.00 C ATOM 1829 O GLY A 138 -0.307 -20.508 6.864 1.00 0.00 O ATOM 0 H GLY A 138 -0.083 -16.631 6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -2.390 -18.460 7.165 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -1.207 -18.377 5.875 1.00 0.00 H new