USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 138:sc= -0.682 (180deg=-2.74!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0134 X(o=-0.013,f=-0.01) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.018) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 107 SER OG : rot -122:sc= 0.0806 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= -0.92 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 TYR OH : rot 180:sc= -0.49 USER MOD Single : A 137 SER OG : rot -33:sc= -0.642 USER MOD Single : A 138 LYS NZ :NH3+ 179:sc= -0.0356 (180deg=-0.0361) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.0379 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 51 -5.360 -7.000 -8.341 1.00 0.00 N ATOM 92 CA ASN A 51 -5.205 -8.453 -8.413 1.00 0.00 C ATOM 93 C ASN A 51 -4.103 -8.943 -7.469 1.00 0.00 C ATOM 94 O ASN A 51 -3.455 -8.144 -6.789 1.00 0.00 O ATOM 95 CB ASN A 51 -4.896 -8.880 -9.854 1.00 0.00 C ATOM 96 CG ASN A 51 -6.148 -9.251 -10.629 1.00 0.00 C ATOM 97 OD1 ASN A 51 -6.994 -8.402 -10.906 1.00 0.00 O ATOM 98 ND2 ASN A 51 -6.274 -10.527 -10.985 1.00 0.00 N ATOM 0 HA ASN A 51 -6.144 -8.908 -8.098 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.381 -8.068 -10.368 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.215 -9.731 -9.840 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.095 -10.832 -11.507 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.549 -11.200 -10.736 1.00 0.00 H new ATOM 105 N PHE A 52 -3.902 -10.263 -7.430 1.00 0.00 N ATOM 106 CA PHE A 52 -2.882 -10.865 -6.565 1.00 0.00 C ATOM 107 C PHE A 52 -1.479 -10.526 -7.062 1.00 0.00 C ATOM 108 O PHE A 52 -1.141 -10.789 -8.218 1.00 0.00 O ATOM 109 CB PHE A 52 -3.051 -12.391 -6.488 1.00 0.00 C ATOM 110 CG PHE A 52 -4.483 -12.850 -6.366 1.00 0.00 C ATOM 111 CD1 PHE A 52 -5.370 -12.188 -5.531 1.00 0.00 C ATOM 112 CD2 PHE A 52 -4.939 -13.939 -7.091 1.00 0.00 C ATOM 113 CE1 PHE A 52 -6.684 -12.604 -5.423 1.00 0.00 C ATOM 114 CE2 PHE A 52 -6.251 -14.358 -6.988 1.00 0.00 C ATOM 115 CZ PHE A 52 -7.125 -13.690 -6.152 1.00 0.00 C ATOM 0 H PHE A 52 -4.431 -10.935 -7.986 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.013 -10.449 -5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.612 -12.839 -7.380 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.487 -12.765 -5.633 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.031 -11.338 -4.958 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.260 -14.467 -7.745 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.365 -12.080 -4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.594 -15.207 -7.561 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.151 -14.017 -6.069 1.00 0.00 H new ATOM 125 N GLY A 53 -0.673 -9.938 -6.181 1.00 0.00 N ATOM 126 CA GLY A 53 0.686 -9.561 -6.539 1.00 0.00 C ATOM 127 C GLY A 53 0.751 -8.215 -7.243 1.00 0.00 C ATOM 128 O GLY A 53 1.521 -8.044 -8.192 1.00 0.00 O ATOM 0 H GLY A 53 -0.938 -9.715 -5.222 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.299 -9.526 -5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.113 -10.327 -7.186 1.00 0.00 H new ATOM 132 N ASP A 54 -0.057 -7.259 -6.776 1.00 0.00 N ATOM 133 CA ASP A 54 -0.095 -5.922 -7.360 1.00 0.00 C ATOM 134 C ASP A 54 0.056 -4.852 -6.277 1.00 0.00 C ATOM 135 O ASP A 54 -0.640 -4.884 -5.259 1.00 0.00 O ATOM 136 CB ASP A 54 -1.415 -5.715 -8.118 1.00 0.00 C ATOM 137 CG ASP A 54 -1.312 -4.677 -9.222 1.00 0.00 C ATOM 138 OD1 ASP A 54 -0.619 -3.654 -9.025 1.00 0.00 O ATOM 139 OD2 ASP A 54 -1.934 -4.883 -10.285 1.00 0.00 O ATOM 0 H ASP A 54 -0.695 -7.391 -5.991 1.00 0.00 H new ATOM 0 HA ASP A 54 0.738 -5.829 -8.057 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.732 -6.665 -8.549 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.188 -5.411 -7.413 1.00 0.00 H new ATOM 144 N ARG A 55 0.969 -3.905 -6.505 1.00 0.00 N ATOM 145 CA ARG A 55 1.207 -2.824 -5.550 1.00 0.00 C ATOM 146 C ARG A 55 -0.026 -1.930 -5.430 1.00 0.00 C ATOM 147 O ARG A 55 -0.509 -1.386 -6.425 1.00 0.00 O ATOM 148 CB ARG A 55 2.433 -1.991 -5.957 1.00 0.00 C ATOM 149 CG ARG A 55 2.323 -1.347 -7.335 1.00 0.00 C ATOM 150 CD ARG A 55 3.585 -1.554 -8.162 1.00 0.00 C ATOM 151 NE ARG A 55 3.928 -2.971 -8.303 1.00 0.00 N ATOM 152 CZ ARG A 55 4.899 -3.585 -7.614 1.00 0.00 C ATOM 153 NH1 ARG A 55 5.626 -2.921 -6.714 1.00 0.00 N ATOM 154 NH2 ARG A 55 5.136 -4.877 -7.819 1.00 0.00 N ATOM 0 H ARG A 55 1.553 -3.866 -7.340 1.00 0.00 H new ATOM 0 HA ARG A 55 1.407 -3.273 -4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.589 -1.209 -5.214 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.315 -2.630 -5.937 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.469 -1.768 -7.865 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.134 -0.279 -7.223 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.446 -1.116 -9.150 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.415 -1.026 -7.693 1.00 0.00 H new ATOM 0 HE ARG A 55 3.392 -3.527 -8.970 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.446 -1.932 -6.542 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.362 -3.403 -6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.580 -5.396 -8.498 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.874 -5.349 -7.297 1.00 0.00 H new ATOM 168 N ILE A 56 -0.538 -1.798 -4.207 1.00 0.00 N ATOM 169 CA ILE A 56 -1.724 -0.980 -3.954 1.00 0.00 C ATOM 170 C ILE A 56 -1.526 -0.053 -2.755 1.00 0.00 C ATOM 171 O ILE A 56 -0.697 -0.318 -1.883 1.00 0.00 O ATOM 172 CB ILE A 56 -2.973 -1.851 -3.695 1.00 0.00 C ATOM 173 CG1 ILE A 56 -2.746 -2.769 -2.490 1.00 0.00 C ATOM 174 CG2 ILE A 56 -3.325 -2.665 -4.930 1.00 0.00 C ATOM 175 CD1 ILE A 56 -3.381 -2.261 -1.217 1.00 0.00 C ATOM 0 H ILE A 56 -0.151 -2.246 -3.377 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.876 -0.384 -4.854 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.811 -1.191 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.145 -3.758 -2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.674 -2.887 -2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.207 -3.272 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.531 -1.992 -5.763 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.489 -3.315 -5.187 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.180 -2.961 -0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.964 -1.285 -0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.458 -2.170 -1.359 1.00 0.00 H new ATOM 187 N LEU A 57 -2.303 1.024 -2.715 1.00 0.00 N ATOM 188 CA LEU A 57 -2.226 1.983 -1.617 1.00 0.00 C ATOM 189 C LEU A 57 -3.462 1.879 -0.727 1.00 0.00 C ATOM 190 O LEU A 57 -4.584 2.080 -1.187 1.00 0.00 O ATOM 191 CB LEU A 57 -2.090 3.405 -2.167 1.00 0.00 C ATOM 192 CG LEU A 57 -1.289 4.367 -1.286 1.00 0.00 C ATOM 193 CD1 LEU A 57 0.176 3.958 -1.245 1.00 0.00 C ATOM 194 CD2 LEU A 57 -1.433 5.796 -1.790 1.00 0.00 C ATOM 0 H LEU A 57 -2.993 1.255 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.347 1.751 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.617 3.355 -3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.088 3.818 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.687 4.319 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.730 4.653 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.261 2.951 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.587 3.977 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.857 6.467 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.062 5.860 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.483 6.086 -1.767 1.00 0.00 H new ATOM 206 N VAL A 58 -3.252 1.560 0.550 1.00 0.00 N ATOM 207 CA VAL A 58 -4.357 1.427 1.502 1.00 0.00 C ATOM 208 C VAL A 58 -4.228 2.431 2.648 1.00 0.00 C ATOM 209 O VAL A 58 -3.122 2.718 3.113 1.00 0.00 O ATOM 210 CB VAL A 58 -4.430 -0.006 2.079 1.00 0.00 C ATOM 211 CG1 VAL A 58 -3.130 -0.391 2.770 1.00 0.00 C ATOM 212 CG2 VAL A 58 -5.607 -0.142 3.035 1.00 0.00 C ATOM 0 H VAL A 58 -2.329 1.389 0.950 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.276 1.635 0.954 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.581 -0.693 1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.214 -1.404 3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.310 -0.348 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.934 0.302 3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.640 -1.158 3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.491 0.563 3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.534 0.071 2.503 1.00 0.00 H new ATOM 222 N LYS A 59 -5.364 2.961 3.103 1.00 0.00 N ATOM 223 CA LYS A 59 -5.376 3.926 4.196 1.00 0.00 C ATOM 224 C LYS A 59 -5.675 3.234 5.527 1.00 0.00 C ATOM 225 O LYS A 59 -6.778 2.725 5.738 1.00 0.00 O ATOM 226 CB LYS A 59 -6.411 5.022 3.924 1.00 0.00 C ATOM 227 CG LYS A 59 -6.251 6.239 4.818 1.00 0.00 C ATOM 228 CD LYS A 59 -7.126 7.393 4.357 1.00 0.00 C ATOM 229 CE LYS A 59 -6.826 8.667 5.135 1.00 0.00 C ATOM 230 NZ LYS A 59 -6.971 9.890 4.295 1.00 0.00 N ATOM 0 H LYS A 59 -6.286 2.736 2.730 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.388 4.382 4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.334 5.333 2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.411 4.609 4.060 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.509 5.974 5.843 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.207 6.553 4.822 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.967 7.569 3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.176 7.128 4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.498 8.735 5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.811 8.618 5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.757 10.732 4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.311 9.840 3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.946 9.953 3.938 1.00 0.00 H new ATOM 244 N ALA A 60 -4.683 3.222 6.419 1.00 0.00 N ATOM 245 CA ALA A 60 -4.832 2.594 7.732 1.00 0.00 C ATOM 246 C ALA A 60 -5.665 3.465 8.676 1.00 0.00 C ATOM 247 O ALA A 60 -5.804 4.668 8.461 1.00 0.00 O ATOM 248 CB ALA A 60 -3.461 2.315 8.340 1.00 0.00 C ATOM 0 H ALA A 60 -3.767 3.640 6.255 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.360 1.650 7.596 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.585 1.848 9.317 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.902 1.646 7.686 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.915 3.252 8.452 1.00 0.00 H new ATOM 254 N PRO A 61 -6.230 2.864 9.744 1.00 0.00 N ATOM 255 CA PRO A 61 -7.046 3.596 10.719 1.00 0.00 C ATOM 256 C PRO A 61 -6.207 4.554 11.562 1.00 0.00 C ATOM 257 O PRO A 61 -5.412 4.124 12.401 1.00 0.00 O ATOM 258 CB PRO A 61 -7.647 2.491 11.590 1.00 0.00 C ATOM 259 CG PRO A 61 -6.696 1.352 11.470 1.00 0.00 C ATOM 260 CD PRO A 61 -6.114 1.433 10.084 1.00 0.00 C ATOM 0 HA PRO A 61 -7.797 4.222 10.238 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.748 2.815 12.626 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.643 2.213 11.245 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.913 1.418 12.225 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.207 0.401 11.623 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.077 1.099 10.064 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.664 0.808 9.381 1.00 0.00 H new ATOM 268 N GLY A 62 -6.380 5.852 11.321 1.00 0.00 N ATOM 269 CA GLY A 62 -5.625 6.854 12.054 1.00 0.00 C ATOM 270 C GLY A 62 -4.425 7.372 11.279 1.00 0.00 C ATOM 271 O GLY A 62 -4.080 8.551 11.379 1.00 0.00 O ATOM 0 H GLY A 62 -7.030 6.227 10.631 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.281 7.689 12.299 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.285 6.428 12.998 1.00 0.00 H new ATOM 275 N TYR A 63 -3.782 6.490 10.509 1.00 0.00 N ATOM 276 CA TYR A 63 -2.611 6.865 9.721 1.00 0.00 C ATOM 277 C TYR A 63 -2.964 7.002 8.238 1.00 0.00 C ATOM 278 O TYR A 63 -3.842 6.301 7.735 1.00 0.00 O ATOM 279 CB TYR A 63 -1.499 5.823 9.896 1.00 0.00 C ATOM 280 CG TYR A 63 -1.146 5.536 11.342 1.00 0.00 C ATOM 281 CD1 TYR A 63 -0.375 6.427 12.081 1.00 0.00 C ATOM 282 CD2 TYR A 63 -1.577 4.371 11.966 1.00 0.00 C ATOM 283 CE1 TYR A 63 -0.047 6.164 13.397 1.00 0.00 C ATOM 284 CE2 TYR A 63 -1.252 4.101 13.282 1.00 0.00 C ATOM 285 CZ TYR A 63 -0.487 4.999 13.992 1.00 0.00 C ATOM 286 OH TYR A 63 -0.157 4.734 15.303 1.00 0.00 O ATOM 0 H TYR A 63 -4.055 5.512 10.416 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.260 7.832 10.081 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.807 4.894 9.416 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.606 6.169 9.376 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.027 7.339 11.619 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.177 3.664 11.412 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.551 6.867 13.958 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.596 3.191 13.751 1.00 0.00 H new ATOM 0 HH TYR A 63 -0.545 3.875 15.571 1.00 0.00 H new ATOM 296 N PRO A 64 -2.282 7.920 7.517 1.00 0.00 N ATOM 297 CA PRO A 64 -2.525 8.159 6.084 1.00 0.00 C ATOM 298 C PRO A 64 -2.283 6.914 5.219 1.00 0.00 C ATOM 299 O PRO A 64 -2.012 5.826 5.735 1.00 0.00 O ATOM 300 CB PRO A 64 -1.518 9.261 5.726 1.00 0.00 C ATOM 301 CG PRO A 64 -1.169 9.903 7.024 1.00 0.00 C ATOM 302 CD PRO A 64 -1.227 8.805 8.046 1.00 0.00 C ATOM 0 HA PRO A 64 -3.564 8.430 5.897 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.634 8.846 5.241 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.952 9.982 5.033 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.176 10.350 6.985 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.869 10.702 7.267 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.272 8.287 8.137 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.478 9.187 9.036 1.00 0.00 H new ATOM 310 N TRP A 65 -2.386 7.086 3.900 1.00 0.00 N ATOM 311 CA TRP A 65 -2.185 5.986 2.955 1.00 0.00 C ATOM 312 C TRP A 65 -0.778 5.397 3.079 1.00 0.00 C ATOM 313 O TRP A 65 0.195 6.126 3.282 1.00 0.00 O ATOM 314 CB TRP A 65 -2.422 6.459 1.515 1.00 0.00 C ATOM 315 CG TRP A 65 -3.804 6.987 1.275 1.00 0.00 C ATOM 316 CD1 TRP A 65 -4.256 8.247 1.543 1.00 0.00 C ATOM 317 CD2 TRP A 65 -4.913 6.274 0.715 1.00 0.00 C ATOM 318 NE1 TRP A 65 -5.576 8.362 1.186 1.00 0.00 N ATOM 319 CE2 TRP A 65 -6.004 7.164 0.675 1.00 0.00 C ATOM 320 CE3 TRP A 65 -5.093 4.971 0.242 1.00 0.00 C ATOM 321 CZ2 TRP A 65 -7.252 6.793 0.184 1.00 0.00 C ATOM 322 CZ3 TRP A 65 -6.332 4.604 -0.245 1.00 0.00 C ATOM 323 CH2 TRP A 65 -7.397 5.512 -0.272 1.00 0.00 C ATOM 0 H TRP A 65 -2.608 7.979 3.461 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.908 5.208 3.200 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -1.698 7.237 1.274 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.236 5.629 0.834 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.661 9.039 1.974 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.146 9.202 1.285 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.277 4.263 0.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -8.076 7.491 0.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.482 3.599 -0.611 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.353 5.194 -0.661 1.00 0.00 H new ATOM 334 N TRP A 66 -0.681 4.074 2.957 1.00 0.00 N ATOM 335 CA TRP A 66 0.602 3.382 3.057 1.00 0.00 C ATOM 336 C TRP A 66 0.815 2.438 1.875 1.00 0.00 C ATOM 337 O TRP A 66 -0.130 1.798 1.404 1.00 0.00 O ATOM 338 CB TRP A 66 0.677 2.600 4.372 1.00 0.00 C ATOM 339 CG TRP A 66 2.050 2.582 4.969 1.00 0.00 C ATOM 340 CD1 TRP A 66 2.877 1.504 5.088 1.00 0.00 C ATOM 341 CD2 TRP A 66 2.761 3.697 5.520 1.00 0.00 C ATOM 342 NE1 TRP A 66 4.057 1.879 5.682 1.00 0.00 N ATOM 343 CE2 TRP A 66 4.011 3.220 5.954 1.00 0.00 C ATOM 344 CE3 TRP A 66 2.464 5.053 5.686 1.00 0.00 C ATOM 345 CZ2 TRP A 66 4.961 4.046 6.545 1.00 0.00 C ATOM 346 CZ3 TRP A 66 3.411 5.873 6.270 1.00 0.00 C ATOM 347 CH2 TRP A 66 4.645 5.366 6.691 1.00 0.00 C ATOM 0 H TRP A 66 -1.477 3.459 2.788 1.00 0.00 H new ATOM 0 HA TRP A 66 1.392 4.132 3.038 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.018 3.038 5.088 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.350 1.575 4.197 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.639 0.502 4.763 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.841 1.259 5.887 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.513 5.452 5.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 5.913 3.658 6.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 3.195 6.923 6.404 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.364 6.034 7.142 1.00 0.00 H new ATOM 358 N PRO A 67 2.066 2.336 1.378 1.00 0.00 N ATOM 359 CA PRO A 67 2.399 1.465 0.246 1.00 0.00 C ATOM 360 C PRO A 67 2.359 -0.016 0.619 1.00 0.00 C ATOM 361 O PRO A 67 3.315 -0.555 1.184 1.00 0.00 O ATOM 362 CB PRO A 67 3.822 1.892 -0.125 1.00 0.00 C ATOM 363 CG PRO A 67 4.397 2.422 1.141 1.00 0.00 C ATOM 364 CD PRO A 67 3.252 3.061 1.880 1.00 0.00 C ATOM 0 HA PRO A 67 1.685 1.567 -0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.403 1.050 -0.502 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.817 2.652 -0.907 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.845 1.622 1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.184 3.148 0.938 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.361 2.953 2.959 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.187 4.129 1.672 1.00 0.00 H new ATOM 372 N ALA A 68 1.245 -0.670 0.294 1.00 0.00 N ATOM 373 CA ALA A 68 1.068 -2.090 0.581 1.00 0.00 C ATOM 374 C ALA A 68 1.035 -2.899 -0.720 1.00 0.00 C ATOM 375 O ALA A 68 1.021 -2.330 -1.812 1.00 0.00 O ATOM 376 CB ALA A 68 -0.206 -2.309 1.387 1.00 0.00 C ATOM 0 H ALA A 68 0.448 -0.235 -0.171 1.00 0.00 H new ATOM 0 HA ALA A 68 1.914 -2.436 1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.327 -3.372 1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.141 -1.761 2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.063 -1.951 0.817 1.00 0.00 H new ATOM 382 N LEU A 69 1.031 -4.222 -0.601 1.00 0.00 N ATOM 383 CA LEU A 69 1.001 -5.090 -1.777 1.00 0.00 C ATOM 384 C LEU A 69 -0.087 -6.152 -1.645 1.00 0.00 C ATOM 385 O LEU A 69 -0.060 -6.968 -0.723 1.00 0.00 O ATOM 386 CB LEU A 69 2.365 -5.752 -1.988 1.00 0.00 C ATOM 387 CG LEU A 69 3.106 -5.303 -3.251 1.00 0.00 C ATOM 388 CD1 LEU A 69 4.611 -5.326 -3.031 1.00 0.00 C ATOM 389 CD2 LEU A 69 2.723 -6.178 -4.436 1.00 0.00 C ATOM 0 H LEU A 69 1.048 -4.716 0.291 1.00 0.00 H new ATOM 0 HA LEU A 69 0.772 -4.473 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.993 -5.544 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.227 -6.832 -2.029 1.00 0.00 H new ATOM 0 HG LEU A 69 2.811 -4.277 -3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.117 -5.003 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.870 -4.652 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.927 -6.339 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.260 -5.843 -5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.985 -7.214 -4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.650 -6.104 -4.611 1.00 0.00 H new ATOM 401 N LEU A 70 -1.047 -6.133 -2.573 1.00 0.00 N ATOM 402 CA LEU A 70 -2.155 -7.089 -2.561 1.00 0.00 C ATOM 403 C LEU A 70 -1.653 -8.531 -2.640 1.00 0.00 C ATOM 404 O LEU A 70 -0.904 -8.886 -3.553 1.00 0.00 O ATOM 405 CB LEU A 70 -3.116 -6.813 -3.722 1.00 0.00 C ATOM 406 CG LEU A 70 -4.599 -7.039 -3.411 1.00 0.00 C ATOM 407 CD1 LEU A 70 -5.456 -6.713 -4.625 1.00 0.00 C ATOM 408 CD2 LEU A 70 -4.841 -8.472 -2.952 1.00 0.00 C ATOM 0 H LEU A 70 -1.078 -5.465 -3.343 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.684 -6.962 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.983 -5.781 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.837 -7.449 -4.562 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.884 -6.369 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.506 -6.880 -4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.309 -5.670 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.168 -7.356 -5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.900 -8.611 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.537 -9.162 -3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.259 -8.669 -2.052 1.00 0.00 H new ATOM 420 N LEU A 71 -2.077 -9.356 -1.682 1.00 0.00 N ATOM 421 CA LEU A 71 -1.682 -10.762 -1.641 1.00 0.00 C ATOM 422 C LEU A 71 -2.813 -11.663 -2.140 1.00 0.00 C ATOM 423 O LEU A 71 -2.626 -12.438 -3.079 1.00 0.00 O ATOM 424 CB LEU A 71 -1.278 -11.173 -0.219 1.00 0.00 C ATOM 425 CG LEU A 71 0.091 -10.668 0.249 1.00 0.00 C ATOM 426 CD1 LEU A 71 0.371 -11.134 1.671 1.00 0.00 C ATOM 427 CD2 LEU A 71 1.192 -11.139 -0.693 1.00 0.00 C ATOM 0 H LEU A 71 -2.696 -9.072 -0.922 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.822 -10.883 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.036 -10.810 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.285 -12.261 -0.158 1.00 0.00 H new ATOM 0 HG LEU A 71 0.076 -9.578 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.347 -10.767 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.398 -10.746 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.364 -12.223 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.155 -10.769 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.209 -12.229 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.001 -10.757 -1.696 1.00 0.00 H new ATOM 439 N ARG A 72 -3.988 -11.561 -1.507 1.00 0.00 N ATOM 440 CA ARG A 72 -5.141 -12.375 -1.896 1.00 0.00 C ATOM 441 C ARG A 72 -6.460 -11.711 -1.503 1.00 0.00 C ATOM 442 O ARG A 72 -6.507 -10.888 -0.586 1.00 0.00 O ATOM 443 CB ARG A 72 -5.050 -13.766 -1.259 1.00 0.00 C ATOM 444 CG ARG A 72 -5.313 -14.905 -2.234 1.00 0.00 C ATOM 445 CD ARG A 72 -6.734 -15.433 -2.110 1.00 0.00 C ATOM 446 NE ARG A 72 -7.311 -15.772 -3.412 1.00 0.00 N ATOM 447 CZ ARG A 72 -8.581 -16.145 -3.595 1.00 0.00 C ATOM 448 NH1 ARG A 72 -9.418 -16.226 -2.564 1.00 0.00 N ATOM 449 NH2 ARG A 72 -9.014 -16.437 -4.816 1.00 0.00 N ATOM 0 H ARG A 72 -4.163 -10.926 -0.728 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.122 -12.471 -2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.058 -13.893 -0.825 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.766 -13.828 -0.440 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.141 -14.559 -3.253 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.606 -15.714 -2.048 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.738 -16.316 -1.471 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.357 -14.684 -1.622 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.705 -15.720 -4.231 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.092 -16.002 -1.624 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.386 -16.512 -2.714 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.378 -16.376 -5.611 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.983 -16.722 -4.959 1.00 0.00 H new ATOM 463 N ARG A 73 -7.535 -12.089 -2.198 1.00 0.00 N ATOM 464 CA ARG A 73 -8.864 -11.547 -1.928 1.00 0.00 C ATOM 465 C ARG A 73 -9.742 -12.596 -1.253 1.00 0.00 C ATOM 466 O ARG A 73 -10.173 -13.561 -1.889 1.00 0.00 O ATOM 467 CB ARG A 73 -9.526 -11.072 -3.225 1.00 0.00 C ATOM 468 CG ARG A 73 -10.753 -10.199 -3.000 1.00 0.00 C ATOM 469 CD ARG A 73 -11.707 -10.257 -4.184 1.00 0.00 C ATOM 470 NE ARG A 73 -12.728 -11.292 -4.022 1.00 0.00 N ATOM 471 CZ ARG A 73 -13.455 -11.792 -5.028 1.00 0.00 C ATOM 472 NH1 ARG A 73 -13.269 -11.364 -6.275 1.00 0.00 N ATOM 473 NH2 ARG A 73 -14.372 -12.723 -4.787 1.00 0.00 N ATOM 0 H ARG A 73 -7.508 -12.772 -2.955 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.753 -10.695 -1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.796 -10.514 -3.812 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.813 -11.942 -3.816 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.271 -10.525 -2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.441 -9.168 -2.834 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.191 -9.288 -4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.141 -10.448 -5.096 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.896 -11.655 -3.084 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.568 -10.649 -6.470 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.828 -11.751 -7.036 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.522 -13.057 -3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.926 -13.104 -5.554 1.00 0.00 H new ATOM 487 N LYS A 74 -10.001 -12.403 0.036 1.00 0.00 N ATOM 488 CA LYS A 74 -10.828 -13.333 0.802 1.00 0.00 C ATOM 489 C LYS A 74 -12.221 -12.754 1.044 1.00 0.00 C ATOM 490 O LYS A 74 -12.381 -11.788 1.795 1.00 0.00 O ATOM 491 CB LYS A 74 -10.163 -13.681 2.138 1.00 0.00 C ATOM 492 CG LYS A 74 -9.472 -12.503 2.811 1.00 0.00 C ATOM 493 CD LYS A 74 -9.534 -12.609 4.327 1.00 0.00 C ATOM 494 CE LYS A 74 -9.753 -11.248 4.972 1.00 0.00 C ATOM 495 NZ LYS A 74 -10.680 -11.327 6.135 1.00 0.00 N ATOM 0 H LYS A 74 -9.650 -11.611 0.574 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.930 -14.246 0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.918 -14.081 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.432 -14.472 1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.431 -12.460 2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.943 -11.573 2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.342 -13.283 4.613 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.608 -13.045 4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.795 -10.843 5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.157 -10.557 4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.317 -10.735 6.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.622 -10.988 5.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.749 -12.313 6.457 1.00 0.00 H new ATOM 509 N GLU A 75 -13.222 -13.350 0.401 1.00 0.00 N ATOM 510 CA GLU A 75 -14.605 -12.905 0.539 1.00 0.00 C ATOM 511 C GLU A 75 -15.331 -13.720 1.608 1.00 0.00 C ATOM 512 O GLU A 75 -15.632 -14.899 1.404 1.00 0.00 O ATOM 513 CB GLU A 75 -15.335 -13.023 -0.803 1.00 0.00 C ATOM 514 CG GLU A 75 -16.577 -12.153 -0.896 1.00 0.00 C ATOM 515 CD GLU A 75 -17.856 -12.956 -1.064 1.00 0.00 C ATOM 516 OE1 GLU A 75 -18.004 -13.995 -0.386 1.00 0.00 O ATOM 517 OE2 GLU A 75 -18.712 -12.541 -1.873 1.00 0.00 O ATOM 0 H GLU A 75 -13.099 -14.147 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.600 -11.860 0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.650 -12.751 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.617 -14.064 -0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.654 -11.543 0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.472 -11.468 -1.738 1.00 0.00 H new ATOM 524 N THR A 76 -15.611 -13.088 2.749 1.00 0.00 N ATOM 525 CA THR A 76 -16.303 -13.758 3.849 1.00 0.00 C ATOM 526 C THR A 76 -17.797 -13.425 3.836 1.00 0.00 C ATOM 527 O THR A 76 -18.219 -12.442 3.225 1.00 0.00 O ATOM 528 CB THR A 76 -15.668 -13.378 5.197 1.00 0.00 C ATOM 529 OG1 THR A 76 -16.180 -14.189 6.244 1.00 0.00 O ATOM 530 CG2 THR A 76 -15.871 -11.926 5.583 1.00 0.00 C ATOM 0 H THR A 76 -15.369 -12.115 2.934 1.00 0.00 H new ATOM 0 HA THR A 76 -16.198 -14.835 3.714 1.00 0.00 H new ATOM 0 HB THR A 76 -14.599 -13.542 5.061 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.761 -13.931 7.092 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.395 -11.735 6.545 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.426 -11.282 4.824 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.938 -11.715 5.658 1.00 0.00 H new ATOM 666 N PHE A 86 -22.066 -10.109 2.702 1.00 0.00 N ATOM 667 CA PHE A 86 -20.678 -10.536 2.543 1.00 0.00 C ATOM 668 C PHE A 86 -19.718 -9.404 2.916 1.00 0.00 C ATOM 669 O PHE A 86 -20.060 -8.226 2.794 1.00 0.00 O ATOM 670 CB PHE A 86 -20.415 -10.983 1.099 1.00 0.00 C ATOM 671 CG PHE A 86 -21.393 -12.007 0.574 1.00 0.00 C ATOM 672 CD1 PHE A 86 -22.683 -11.642 0.217 1.00 0.00 C ATOM 673 CD2 PHE A 86 -21.017 -13.333 0.435 1.00 0.00 C ATOM 674 CE1 PHE A 86 -23.575 -12.579 -0.270 1.00 0.00 C ATOM 675 CE2 PHE A 86 -21.906 -14.275 -0.051 1.00 0.00 C ATOM 676 CZ PHE A 86 -23.185 -13.897 -0.403 1.00 0.00 C ATOM 0 HA PHE A 86 -20.506 -11.379 3.213 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -20.441 -10.108 0.450 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -19.408 -11.395 1.037 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -22.994 -10.613 0.321 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -20.017 -13.635 0.710 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -24.576 -12.281 -0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -21.599 -15.305 -0.155 1.00 0.00 H new ATOM 0 HZ PHE A 86 -23.881 -14.631 -0.782 1.00 0.00 H new ATOM 686 N ASN A 87 -18.510 -9.766 3.360 1.00 0.00 N ATOM 687 CA ASN A 87 -17.502 -8.778 3.738 1.00 0.00 C ATOM 688 C ASN A 87 -16.142 -9.143 3.144 1.00 0.00 C ATOM 689 O ASN A 87 -15.286 -9.720 3.819 1.00 0.00 O ATOM 690 CB ASN A 87 -17.392 -8.669 5.266 1.00 0.00 C ATOM 691 CG ASN A 87 -18.711 -8.324 5.933 1.00 0.00 C ATOM 692 OD1 ASN A 87 -19.175 -9.043 6.817 1.00 0.00 O ATOM 693 ND2 ASN A 87 -19.322 -7.219 5.517 1.00 0.00 N ATOM 0 H ASN A 87 -18.210 -10.735 3.465 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.813 -7.812 3.340 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -17.025 -9.614 5.667 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -16.654 -7.908 5.518 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -20.210 -6.939 5.934 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -18.903 -6.651 4.781 1.00 0.00 H new ATOM 700 N VAL A 88 -15.949 -8.788 1.878 1.00 0.00 N ATOM 701 CA VAL A 88 -14.691 -9.065 1.188 1.00 0.00 C ATOM 702 C VAL A 88 -13.639 -8.008 1.518 1.00 0.00 C ATOM 703 O VAL A 88 -13.929 -6.810 1.538 1.00 0.00 O ATOM 704 CB VAL A 88 -14.878 -9.144 -0.345 1.00 0.00 C ATOM 705 CG1 VAL A 88 -15.513 -7.868 -0.890 1.00 0.00 C ATOM 706 CG2 VAL A 88 -13.550 -9.430 -1.038 1.00 0.00 C ATOM 0 H VAL A 88 -16.646 -8.308 1.308 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.348 -10.037 1.543 1.00 0.00 H new ATOM 0 HB VAL A 88 -15.557 -9.970 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -15.632 -7.953 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.489 -7.721 -0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -14.872 -7.016 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.706 -9.481 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.842 -8.633 -0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.152 -10.381 -0.683 1.00 0.00 H new ATOM 716 N LEU A 89 -12.417 -8.466 1.776 1.00 0.00 N ATOM 717 CA LEU A 89 -11.311 -7.569 2.105 1.00 0.00 C ATOM 718 C LEU A 89 -10.048 -7.962 1.344 1.00 0.00 C ATOM 719 O LEU A 89 -9.765 -9.149 1.161 1.00 0.00 O ATOM 720 CB LEU A 89 -11.027 -7.578 3.613 1.00 0.00 C ATOM 721 CG LEU A 89 -12.255 -7.685 4.524 1.00 0.00 C ATOM 722 CD1 LEU A 89 -11.841 -8.093 5.930 1.00 0.00 C ATOM 723 CD2 LEU A 89 -13.017 -6.368 4.550 1.00 0.00 C ATOM 0 H LEU A 89 -12.167 -9.455 1.764 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.605 -6.562 1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.361 -8.413 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.488 -6.665 3.867 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.915 -8.454 4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.725 -8.164 6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.340 -9.061 5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.160 -7.347 6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.885 -6.463 5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.366 -5.578 4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.346 -6.118 3.541 1.00 0.00 H new ATOM 735 N TYR A 90 -9.290 -6.957 0.911 1.00 0.00 N ATOM 736 CA TYR A 90 -8.053 -7.184 0.175 1.00 0.00 C ATOM 737 C TYR A 90 -6.871 -7.342 1.128 1.00 0.00 C ATOM 738 O TYR A 90 -6.399 -6.365 1.712 1.00 0.00 O ATOM 739 CB TYR A 90 -7.790 -6.030 -0.799 1.00 0.00 C ATOM 740 CG TYR A 90 -8.241 -6.321 -2.214 1.00 0.00 C ATOM 741 CD1 TYR A 90 -8.075 -7.585 -2.766 1.00 0.00 C ATOM 742 CD2 TYR A 90 -8.830 -5.336 -2.994 1.00 0.00 C ATOM 743 CE1 TYR A 90 -8.486 -7.860 -4.052 1.00 0.00 C ATOM 744 CE2 TYR A 90 -9.244 -5.604 -4.284 1.00 0.00 C ATOM 745 CZ TYR A 90 -9.069 -6.867 -4.809 1.00 0.00 C ATOM 746 OH TYR A 90 -9.481 -7.139 -6.092 1.00 0.00 O ATOM 0 H TYR A 90 -9.514 -5.973 1.059 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.164 -8.108 -0.392 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.302 -5.137 -0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.723 -5.806 -0.805 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.616 -8.365 -2.177 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.967 -4.345 -2.586 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.352 -8.849 -4.465 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.703 -4.828 -4.879 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.872 -6.332 -6.488 1.00 0.00 H new ATOM 756 N LYS A 91 -6.391 -8.577 1.274 1.00 0.00 N ATOM 757 CA LYS A 91 -5.256 -8.862 2.148 1.00 0.00 C ATOM 758 C LYS A 91 -3.964 -8.372 1.503 1.00 0.00 C ATOM 759 O LYS A 91 -3.442 -9.005 0.584 1.00 0.00 O ATOM 760 CB LYS A 91 -5.165 -10.365 2.437 1.00 0.00 C ATOM 761 CG LYS A 91 -6.252 -10.875 3.369 1.00 0.00 C ATOM 762 CD LYS A 91 -5.828 -12.153 4.083 1.00 0.00 C ATOM 763 CE LYS A 91 -6.113 -13.392 3.244 1.00 0.00 C ATOM 764 NZ LYS A 91 -5.151 -14.496 3.528 1.00 0.00 N ATOM 0 H LYS A 91 -6.771 -9.395 0.798 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.403 -8.336 3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.221 -10.911 1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.191 -10.583 2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.489 -10.108 4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.162 -11.061 2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.763 -12.106 4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.354 -12.229 5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.128 -13.737 3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.064 -13.132 2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.382 -15.319 2.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.184 -14.177 3.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.215 -14.763 4.531 1.00 0.00 H new ATOM 778 N VAL A 92 -3.468 -7.231 1.974 1.00 0.00 N ATOM 779 CA VAL A 92 -2.249 -6.642 1.426 1.00 0.00 C ATOM 780 C VAL A 92 -1.099 -6.679 2.431 1.00 0.00 C ATOM 781 O VAL A 92 -1.323 -6.711 3.641 1.00 0.00 O ATOM 782 CB VAL A 92 -2.488 -5.184 0.973 1.00 0.00 C ATOM 783 CG1 VAL A 92 -3.628 -5.125 -0.034 1.00 0.00 C ATOM 784 CG2 VAL A 92 -2.774 -4.278 2.166 1.00 0.00 C ATOM 0 H VAL A 92 -3.891 -6.696 2.733 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.973 -7.245 0.561 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.579 -4.823 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.786 -4.092 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.377 -5.731 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.539 -5.509 0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.938 -3.258 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.664 -4.631 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.924 -4.296 2.848 1.00 0.00 H new ATOM 794 N LEU A 93 0.132 -6.661 1.915 1.00 0.00 N ATOM 795 CA LEU A 93 1.324 -6.682 2.758 1.00 0.00 C ATOM 796 C LEU A 93 1.877 -5.272 2.917 1.00 0.00 C ATOM 797 O LEU A 93 2.010 -4.533 1.941 1.00 0.00 O ATOM 798 CB LEU A 93 2.394 -7.606 2.166 1.00 0.00 C ATOM 799 CG LEU A 93 3.216 -8.396 3.190 1.00 0.00 C ATOM 800 CD1 LEU A 93 2.319 -9.307 4.016 1.00 0.00 C ATOM 801 CD2 LEU A 93 4.300 -9.203 2.491 1.00 0.00 C ATOM 0 H LEU A 93 0.327 -6.632 0.914 1.00 0.00 H new ATOM 0 HA LEU A 93 1.045 -7.067 3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.909 -8.312 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.075 -7.006 1.563 1.00 0.00 H new ATOM 0 HG LEU A 93 3.694 -7.687 3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.924 -9.858 4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.580 -8.706 4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.809 -10.010 3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.875 -9.758 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.840 -9.901 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.963 -8.529 1.948 1.00 0.00 H new ATOM 813 N PHE A 94 2.190 -4.907 4.152 1.00 0.00 N ATOM 814 CA PHE A 94 2.716 -3.577 4.452 1.00 0.00 C ATOM 815 C PHE A 94 4.248 -3.585 4.502 1.00 0.00 C ATOM 816 O PHE A 94 4.867 -4.638 4.659 1.00 0.00 O ATOM 817 CB PHE A 94 2.148 -3.089 5.787 1.00 0.00 C ATOM 818 CG PHE A 94 0.907 -2.244 5.660 1.00 0.00 C ATOM 819 CD1 PHE A 94 -0.267 -2.769 5.130 1.00 0.00 C ATOM 820 CD2 PHE A 94 0.913 -0.926 6.084 1.00 0.00 C ATOM 821 CE1 PHE A 94 -1.402 -1.989 5.025 1.00 0.00 C ATOM 822 CE2 PHE A 94 -0.220 -0.143 5.980 1.00 0.00 C ATOM 823 CZ PHE A 94 -1.379 -0.675 5.451 1.00 0.00 C ATOM 0 H PHE A 94 2.090 -5.513 4.966 1.00 0.00 H new ATOM 0 HA PHE A 94 2.410 -2.898 3.656 1.00 0.00 H new ATOM 0 HB2 PHE A 94 1.922 -3.954 6.411 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.914 -2.513 6.306 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.291 -3.796 4.797 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.815 -0.505 6.502 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.307 -2.406 4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.199 0.884 6.312 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.266 -0.065 5.370 1.00 0.00 H new ATOM 833 N PHE A 95 4.847 -2.399 4.365 1.00 0.00 N ATOM 834 CA PHE A 95 6.307 -2.254 4.387 1.00 0.00 C ATOM 835 C PHE A 95 6.718 -0.965 5.112 1.00 0.00 C ATOM 836 O PHE A 95 5.906 -0.052 5.272 1.00 0.00 O ATOM 837 CB PHE A 95 6.856 -2.238 2.954 1.00 0.00 C ATOM 838 CG PHE A 95 6.365 -3.377 2.104 1.00 0.00 C ATOM 839 CD1 PHE A 95 6.956 -4.625 2.184 1.00 0.00 C ATOM 840 CD2 PHE A 95 5.307 -3.195 1.225 1.00 0.00 C ATOM 841 CE1 PHE A 95 6.504 -5.673 1.406 1.00 0.00 C ATOM 842 CE2 PHE A 95 4.850 -4.237 0.446 1.00 0.00 C ATOM 843 CZ PHE A 95 5.449 -5.479 0.535 1.00 0.00 C ATOM 0 H PHE A 95 4.342 -1.522 4.237 1.00 0.00 H new ATOM 0 HA PHE A 95 6.725 -3.104 4.926 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.579 -1.297 2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 95 7.945 -2.268 2.992 1.00 0.00 H new ATOM 0 HD1 PHE A 95 7.781 -4.782 2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.836 -2.226 1.150 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.974 -6.642 1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.025 -4.082 -0.233 1.00 0.00 H new ATOM 0 HZ PHE A 95 5.093 -6.296 -0.075 1.00 0.00 H new ATOM 853 N PRO A 96 7.990 -0.869 5.558 1.00 0.00 N ATOM 854 CA PRO A 96 8.989 -1.932 5.387 1.00 0.00 C ATOM 855 C PRO A 96 8.687 -3.155 6.247 1.00 0.00 C ATOM 856 O PRO A 96 8.945 -4.289 5.835 1.00 0.00 O ATOM 857 CB PRO A 96 10.311 -1.282 5.821 1.00 0.00 C ATOM 858 CG PRO A 96 10.020 0.175 5.978 1.00 0.00 C ATOM 859 CD PRO A 96 8.550 0.286 6.269 1.00 0.00 C ATOM 0 HA PRO A 96 9.007 -2.300 4.361 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.669 -1.712 6.757 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.090 -1.447 5.076 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.610 0.603 6.788 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.279 0.722 5.072 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.345 0.241 7.339 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.135 1.226 5.904 1.00 0.00 H new ATOM 867 N ASP A 97 8.127 -2.918 7.435 1.00 0.00 N ATOM 868 CA ASP A 97 7.775 -3.998 8.353 1.00 0.00 C ATOM 869 C ASP A 97 6.825 -4.982 7.675 1.00 0.00 C ATOM 870 O ASP A 97 5.684 -4.635 7.372 1.00 0.00 O ATOM 871 CB ASP A 97 7.124 -3.437 9.626 1.00 0.00 C ATOM 872 CG ASP A 97 8.067 -3.402 10.818 1.00 0.00 C ATOM 873 OD1 ASP A 97 9.292 -3.251 10.613 1.00 0.00 O ATOM 874 OD2 ASP A 97 7.577 -3.518 11.962 1.00 0.00 O ATOM 0 H ASP A 97 7.908 -1.984 7.783 1.00 0.00 H new ATOM 0 HA ASP A 97 8.690 -4.521 8.630 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.763 -2.428 9.427 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.253 -4.043 9.878 1.00 0.00 H new ATOM 879 N PHE A 98 7.317 -6.199 7.431 1.00 0.00 N ATOM 880 CA PHE A 98 6.532 -7.251 6.780 1.00 0.00 C ATOM 881 C PHE A 98 5.251 -7.547 7.560 1.00 0.00 C ATOM 882 O PHE A 98 5.187 -8.503 8.338 1.00 0.00 O ATOM 883 CB PHE A 98 7.367 -8.529 6.638 1.00 0.00 C ATOM 884 CG PHE A 98 8.147 -8.608 5.353 1.00 0.00 C ATOM 885 CD1 PHE A 98 7.550 -9.083 4.195 1.00 0.00 C ATOM 886 CD2 PHE A 98 9.474 -8.211 5.303 1.00 0.00 C ATOM 887 CE1 PHE A 98 8.264 -9.163 3.014 1.00 0.00 C ATOM 888 CE2 PHE A 98 10.193 -8.290 4.125 1.00 0.00 C ATOM 889 CZ PHE A 98 9.587 -8.767 2.979 1.00 0.00 C ATOM 0 H PHE A 98 8.265 -6.482 7.677 1.00 0.00 H new ATOM 0 HA PHE A 98 6.253 -6.895 5.788 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.060 -8.594 7.477 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.705 -9.393 6.704 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.516 -9.394 4.216 1.00 0.00 H new ATOM 0 HD2 PHE A 98 9.952 -7.835 6.195 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.788 -9.535 2.119 1.00 0.00 H new ATOM 0 HE2 PHE A 98 11.227 -7.979 4.101 1.00 0.00 H new ATOM 0 HZ PHE A 98 10.146 -8.830 2.057 1.00 0.00 H new ATOM 899 N ASN A 99 4.238 -6.717 7.342 1.00 0.00 N ATOM 900 CA ASN A 99 2.950 -6.866 8.006 1.00 0.00 C ATOM 901 C ASN A 99 1.829 -6.853 6.972 1.00 0.00 C ATOM 902 O ASN A 99 2.092 -6.955 5.775 1.00 0.00 O ATOM 903 CB ASN A 99 2.748 -5.741 9.032 1.00 0.00 C ATOM 904 CG ASN A 99 2.735 -6.250 10.464 1.00 0.00 C ATOM 905 OD1 ASN A 99 3.468 -5.752 11.317 1.00 0.00 O ATOM 906 ND2 ASN A 99 1.895 -7.245 10.741 1.00 0.00 N ATOM 0 H ASN A 99 4.286 -5.924 6.702 1.00 0.00 H new ATOM 0 HA ASN A 99 2.930 -7.820 8.533 1.00 0.00 H new ATOM 0 HB2 ASN A 99 3.544 -5.005 8.919 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.808 -5.229 8.824 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.844 -7.620 11.688 1.00 0.00 H new ATOM 0 HD22 ASN A 99 1.303 -7.632 10.006 1.00 0.00 H new ATOM 913 N PHE A 100 0.585 -6.732 7.427 1.00 0.00 N ATOM 914 CA PHE A 100 -0.558 -6.708 6.516 1.00 0.00 C ATOM 915 C PHE A 100 -1.769 -6.052 7.169 1.00 0.00 C ATOM 916 O PHE A 100 -1.748 -5.724 8.357 1.00 0.00 O ATOM 917 CB PHE A 100 -0.919 -8.125 6.050 1.00 0.00 C ATOM 918 CG PHE A 100 -0.565 -9.197 7.038 1.00 0.00 C ATOM 919 CD1 PHE A 100 0.723 -9.695 7.095 1.00 0.00 C ATOM 920 CD2 PHE A 100 -1.517 -9.695 7.910 1.00 0.00 C ATOM 921 CE1 PHE A 100 1.059 -10.674 8.006 1.00 0.00 C ATOM 922 CE2 PHE A 100 -1.188 -10.674 8.822 1.00 0.00 C ATOM 923 CZ PHE A 100 0.102 -11.165 8.872 1.00 0.00 C ATOM 0 H PHE A 100 0.342 -6.649 8.414 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.270 -6.116 5.647 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.989 -8.169 5.848 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -0.409 -8.329 5.109 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.474 -9.313 6.419 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.527 -9.313 7.875 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.069 -11.056 8.042 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.938 -11.057 9.497 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.362 -11.932 9.587 1.00 0.00 H new ATOM 933 N ALA A 101 -2.823 -5.864 6.379 1.00 0.00 N ATOM 934 CA ALA A 101 -4.050 -5.246 6.862 1.00 0.00 C ATOM 935 C ALA A 101 -5.258 -5.708 6.050 1.00 0.00 C ATOM 936 O ALA A 101 -5.275 -5.588 4.824 1.00 0.00 O ATOM 937 CB ALA A 101 -3.926 -3.730 6.810 1.00 0.00 C ATOM 0 H ALA A 101 -2.849 -6.134 5.396 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.203 -5.556 7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.848 -3.277 7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.094 -3.411 7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.747 -3.415 5.782 1.00 0.00 H new ATOM 943 N TRP A 102 -6.270 -6.232 6.743 1.00 0.00 N ATOM 944 CA TRP A 102 -7.487 -6.706 6.087 1.00 0.00 C ATOM 945 C TRP A 102 -8.491 -5.563 5.948 1.00 0.00 C ATOM 946 O TRP A 102 -9.117 -5.154 6.928 1.00 0.00 O ATOM 947 CB TRP A 102 -8.106 -7.865 6.880 1.00 0.00 C ATOM 948 CG TRP A 102 -7.211 -9.065 7.003 1.00 0.00 C ATOM 949 CD1 TRP A 102 -5.976 -9.235 6.438 1.00 0.00 C ATOM 950 CD2 TRP A 102 -7.482 -10.266 7.736 1.00 0.00 C ATOM 951 NE1 TRP A 102 -5.467 -10.464 6.779 1.00 0.00 N ATOM 952 CE2 TRP A 102 -6.372 -11.116 7.573 1.00 0.00 C ATOM 953 CE3 TRP A 102 -8.556 -10.704 8.518 1.00 0.00 C ATOM 954 CZ2 TRP A 102 -6.306 -12.378 8.161 1.00 0.00 C ATOM 955 CZ3 TRP A 102 -8.488 -11.956 9.101 1.00 0.00 C ATOM 956 CH2 TRP A 102 -7.371 -12.779 8.919 1.00 0.00 C ATOM 0 H TRP A 102 -6.270 -6.338 7.757 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.228 -7.067 5.092 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.364 -7.512 7.879 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -9.036 -8.166 6.398 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -5.475 -8.509 5.815 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -4.561 -10.832 6.488 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.422 -10.076 8.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -5.445 -13.016 8.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -9.311 -12.305 9.707 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -7.350 -13.752 9.387 1.00 0.00 H new ATOM 967 N VAL A 103 -8.627 -5.043 4.728 1.00 0.00 N ATOM 968 CA VAL A 103 -9.542 -3.937 4.458 1.00 0.00 C ATOM 969 C VAL A 103 -10.164 -4.061 3.068 1.00 0.00 C ATOM 970 O VAL A 103 -9.553 -4.615 2.153 1.00 0.00 O ATOM 971 CB VAL A 103 -8.818 -2.573 4.585 1.00 0.00 C ATOM 972 CG1 VAL A 103 -7.693 -2.453 3.564 1.00 0.00 C ATOM 973 CG2 VAL A 103 -9.802 -1.419 4.443 1.00 0.00 C ATOM 0 H VAL A 103 -8.113 -5.372 3.910 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.337 -3.986 5.202 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.376 -2.521 5.580 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.202 -1.486 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.967 -3.250 3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.104 -2.537 2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.269 -0.473 4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.284 -1.470 3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.558 -1.488 5.225 1.00 0.00 H new ATOM 983 N LYS A 104 -11.383 -3.541 2.914 1.00 0.00 N ATOM 984 CA LYS A 104 -12.084 -3.596 1.632 1.00 0.00 C ATOM 985 C LYS A 104 -11.387 -2.726 0.582 1.00 0.00 C ATOM 986 O LYS A 104 -10.519 -1.915 0.910 1.00 0.00 O ATOM 987 CB LYS A 104 -13.541 -3.144 1.791 1.00 0.00 C ATOM 988 CG LYS A 104 -14.295 -3.863 2.897 1.00 0.00 C ATOM 989 CD LYS A 104 -15.499 -3.063 3.364 1.00 0.00 C ATOM 990 CE LYS A 104 -16.507 -3.945 4.084 1.00 0.00 C ATOM 991 NZ LYS A 104 -16.108 -4.219 5.496 1.00 0.00 N ATOM 0 H LYS A 104 -11.903 -3.078 3.659 1.00 0.00 H new ATOM 0 HA LYS A 104 -12.066 -4.632 1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.558 -2.073 1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -14.064 -3.301 0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -14.622 -4.839 2.540 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.626 -4.040 3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -15.171 -2.265 4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -15.976 -2.588 2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -17.484 -3.462 4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -16.610 -4.888 3.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -16.824 -4.823 5.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -15.188 -4.703 5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -16.034 -3.322 6.016 1.00 0.00 H new ATOM 1005 N ARG A 105 -11.787 -2.897 -0.680 1.00 0.00 N ATOM 1006 CA ARG A 105 -11.215 -2.126 -1.791 1.00 0.00 C ATOM 1007 C ARG A 105 -11.436 -0.622 -1.604 1.00 0.00 C ATOM 1008 O ARG A 105 -10.694 0.188 -2.157 1.00 0.00 O ATOM 1009 CB ARG A 105 -11.816 -2.568 -3.132 1.00 0.00 C ATOM 1010 CG ARG A 105 -11.926 -4.076 -3.299 1.00 0.00 C ATOM 1011 CD ARG A 105 -13.355 -4.555 -3.099 1.00 0.00 C ATOM 1012 NE ARG A 105 -14.117 -4.567 -4.348 1.00 0.00 N ATOM 1013 CZ ARG A 105 -15.452 -4.554 -4.409 1.00 0.00 C ATOM 1014 NH1 ARG A 105 -16.179 -4.538 -3.294 1.00 0.00 N ATOM 1015 NH2 ARG A 105 -16.064 -4.559 -5.589 1.00 0.00 N ATOM 0 H ARG A 105 -12.506 -3.564 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.143 -2.322 -1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.808 -2.129 -3.235 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.205 -2.168 -3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.582 -4.359 -4.294 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.271 -4.571 -2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.343 -5.559 -2.674 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.855 -3.909 -2.377 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.598 -4.586 -5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.718 -4.536 -2.384 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -17.197 -4.528 -3.349 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.515 -4.573 -6.448 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -17.083 -4.549 -5.635 1.00 0.00 H new ATOM 1029 N ASN A 106 -12.461 -0.252 -0.828 1.00 0.00 N ATOM 1030 CA ASN A 106 -12.775 1.157 -0.575 1.00 0.00 C ATOM 1031 C ASN A 106 -11.560 1.911 -0.026 1.00 0.00 C ATOM 1032 O ASN A 106 -11.190 2.963 -0.547 1.00 0.00 O ATOM 1033 CB ASN A 106 -13.945 1.269 0.405 1.00 0.00 C ATOM 1034 CG ASN A 106 -14.374 2.706 0.642 1.00 0.00 C ATOM 1035 OD1 ASN A 106 -14.611 3.458 -0.304 1.00 0.00 O ATOM 1036 ND2 ASN A 106 -14.478 3.096 1.908 1.00 0.00 N ATOM 0 H ASN A 106 -13.087 -0.910 -0.364 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.054 1.612 -1.525 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.791 0.700 0.021 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -13.662 0.817 1.356 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -14.764 4.051 2.126 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -14.272 2.441 2.662 1.00 0.00 H new ATOM 1043 N SER A 107 -10.945 1.366 1.028 1.00 0.00 N ATOM 1044 CA SER A 107 -9.771 1.994 1.643 1.00 0.00 C ATOM 1045 C SER A 107 -8.492 1.717 0.839 1.00 0.00 C ATOM 1046 O SER A 107 -7.433 2.265 1.151 1.00 0.00 O ATOM 1047 CB SER A 107 -9.596 1.517 3.088 1.00 0.00 C ATOM 1048 OG SER A 107 -9.461 2.614 3.975 1.00 0.00 O ATOM 0 H SER A 107 -11.238 0.496 1.472 1.00 0.00 H new ATOM 0 HA SER A 107 -9.942 3.070 1.642 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.454 0.912 3.381 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.716 0.878 3.159 1.00 0.00 H new ATOM 0 HG SER A 107 -8.611 2.542 4.457 1.00 0.00 H new ATOM 1054 N VAL A 108 -8.596 0.875 -0.192 1.00 0.00 N ATOM 1055 CA VAL A 108 -7.456 0.538 -1.040 1.00 0.00 C ATOM 1056 C VAL A 108 -7.515 1.321 -2.357 1.00 0.00 C ATOM 1057 O VAL A 108 -8.587 1.740 -2.792 1.00 0.00 O ATOM 1058 CB VAL A 108 -7.419 -0.977 -1.345 1.00 0.00 C ATOM 1059 CG1 VAL A 108 -6.225 -1.333 -2.217 1.00 0.00 C ATOM 1060 CG2 VAL A 108 -7.406 -1.791 -0.057 1.00 0.00 C ATOM 0 H VAL A 108 -9.465 0.413 -0.459 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.550 0.810 -0.498 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.325 -1.226 -1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.226 -2.405 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.288 -0.790 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.304 -1.060 -1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.380 -2.854 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.525 -1.530 0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.304 -1.572 0.521 1.00 0.00 H new ATOM 1070 N LYS A 109 -6.354 1.519 -2.982 1.00 0.00 N ATOM 1071 CA LYS A 109 -6.267 2.257 -4.242 1.00 0.00 C ATOM 1072 C LYS A 109 -5.130 1.724 -5.113 1.00 0.00 C ATOM 1073 O LYS A 109 -4.212 1.071 -4.615 1.00 0.00 O ATOM 1074 CB LYS A 109 -6.056 3.747 -3.965 1.00 0.00 C ATOM 1075 CG LYS A 109 -7.326 4.475 -3.551 1.00 0.00 C ATOM 1076 CD LYS A 109 -7.294 5.940 -3.961 1.00 0.00 C ATOM 1077 CE LYS A 109 -8.046 6.173 -5.263 1.00 0.00 C ATOM 1078 NZ LYS A 109 -7.655 7.455 -5.914 1.00 0.00 N ATOM 0 H LYS A 109 -5.458 1.177 -2.635 1.00 0.00 H new ATOM 0 HA LYS A 109 -7.205 2.120 -4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -5.310 3.860 -3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -5.651 4.221 -4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -8.189 3.989 -4.006 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.452 4.402 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -7.734 6.549 -3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.260 6.264 -4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -7.852 5.346 -5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -9.118 6.179 -5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -8.191 7.574 -6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -7.863 8.247 -5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -6.637 7.440 -6.126 1.00 0.00 H new ATOM 1092 N PRO A 110 -5.173 1.994 -6.435 1.00 0.00 N ATOM 1093 CA PRO A 110 -4.137 1.534 -7.366 1.00 0.00 C ATOM 1094 C PRO A 110 -2.808 2.265 -7.171 1.00 0.00 C ATOM 1095 O PRO A 110 -2.754 3.497 -7.206 1.00 0.00 O ATOM 1096 CB PRO A 110 -4.731 1.846 -8.741 1.00 0.00 C ATOM 1097 CG PRO A 110 -5.671 2.976 -8.500 1.00 0.00 C ATOM 1098 CD PRO A 110 -6.231 2.764 -7.120 1.00 0.00 C ATOM 0 HA PRO A 110 -3.898 0.480 -7.222 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -3.954 2.122 -9.454 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.250 0.981 -9.154 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.155 3.934 -8.569 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.466 2.988 -9.246 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.429 3.711 -6.617 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.173 2.216 -7.148 1.00 0.00 H new ATOM 1106 N LEU A 111 -1.742 1.495 -6.968 1.00 0.00 N ATOM 1107 CA LEU A 111 -0.408 2.053 -6.768 1.00 0.00 C ATOM 1108 C LEU A 111 0.489 1.752 -7.970 1.00 0.00 C ATOM 1109 O LEU A 111 0.438 0.656 -8.530 1.00 0.00 O ATOM 1110 CB LEU A 111 0.214 1.476 -5.490 1.00 0.00 C ATOM 1111 CG LEU A 111 0.899 2.489 -4.572 1.00 0.00 C ATOM 1112 CD1 LEU A 111 1.331 1.822 -3.275 1.00 0.00 C ATOM 1113 CD2 LEU A 111 2.096 3.115 -5.265 1.00 0.00 C ATOM 0 H LEU A 111 -1.777 0.476 -6.938 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.496 3.135 -6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.568 0.970 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.944 0.718 -5.773 1.00 0.00 H new ATOM 0 HG LEU A 111 0.184 3.278 -4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.817 2.556 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.457 1.416 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.029 1.015 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.570 3.833 -4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.812 2.337 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.767 3.626 -6.170 1.00 0.00 H new ATOM 1125 N LEU A 112 1.310 2.730 -8.363 1.00 0.00 N ATOM 1126 CA LEU A 112 2.218 2.560 -9.500 1.00 0.00 C ATOM 1127 C LEU A 112 3.652 2.936 -9.126 1.00 0.00 C ATOM 1128 O LEU A 112 3.887 3.600 -8.117 1.00 0.00 O ATOM 1129 CB LEU A 112 1.748 3.386 -10.705 1.00 0.00 C ATOM 1130 CG LEU A 112 1.021 4.692 -10.374 1.00 0.00 C ATOM 1131 CD1 LEU A 112 1.503 5.810 -11.284 1.00 0.00 C ATOM 1132 CD2 LEU A 112 -0.486 4.509 -10.496 1.00 0.00 C ATOM 0 H LEU A 112 1.364 3.644 -7.913 1.00 0.00 H new ATOM 0 HA LEU A 112 2.204 1.506 -9.776 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.616 3.621 -11.321 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.086 2.767 -11.310 1.00 0.00 H new ATOM 0 HG LEU A 112 1.248 4.966 -9.344 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.977 6.732 -11.037 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.574 5.955 -11.146 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.303 5.546 -12.322 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.987 5.447 -10.257 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.735 4.214 -11.515 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.816 3.735 -9.803 1.00 0.00 H new ATOM 1144 N ASP A 113 4.606 2.500 -9.949 1.00 0.00 N ATOM 1145 CA ASP A 113 6.027 2.775 -9.712 1.00 0.00 C ATOM 1146 C ASP A 113 6.349 4.253 -9.885 1.00 0.00 C ATOM 1147 O ASP A 113 7.085 4.830 -9.084 1.00 0.00 O ATOM 1148 CB ASP A 113 6.897 1.939 -10.654 1.00 0.00 C ATOM 1149 CG ASP A 113 6.823 0.456 -10.346 1.00 0.00 C ATOM 1150 OD1 ASP A 113 7.283 0.050 -9.256 1.00 0.00 O ATOM 1151 OD2 ASP A 113 6.302 -0.300 -11.192 1.00 0.00 O ATOM 0 H ASP A 113 4.421 1.953 -10.790 1.00 0.00 H new ATOM 0 HA ASP A 113 6.246 2.500 -8.680 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.581 2.110 -11.683 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.932 2.272 -10.579 1.00 0.00 H new ATOM 1156 N SER A 114 5.795 4.867 -10.931 1.00 0.00 N ATOM 1157 CA SER A 114 6.027 6.287 -11.198 1.00 0.00 C ATOM 1158 C SER A 114 5.573 7.146 -10.019 1.00 0.00 C ATOM 1159 O SER A 114 6.131 8.215 -9.778 1.00 0.00 O ATOM 1160 CB SER A 114 5.306 6.727 -12.478 1.00 0.00 C ATOM 1161 OG SER A 114 4.154 5.936 -12.721 1.00 0.00 O ATOM 0 H SER A 114 5.184 4.405 -11.605 1.00 0.00 H new ATOM 0 HA SER A 114 7.099 6.427 -11.336 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.018 7.775 -12.393 1.00 0.00 H new ATOM 0 HB3 SER A 114 5.987 6.651 -13.326 1.00 0.00 H new ATOM 0 HG SER A 114 3.715 6.241 -13.542 1.00 0.00 H new ATOM 1167 N GLU A 115 4.570 6.667 -9.278 1.00 0.00 N ATOM 1168 CA GLU A 115 4.066 7.390 -8.120 1.00 0.00 C ATOM 1169 C GLU A 115 4.966 7.133 -6.912 1.00 0.00 C ATOM 1170 O GLU A 115 5.361 8.066 -6.215 1.00 0.00 O ATOM 1171 CB GLU A 115 2.618 6.969 -7.830 1.00 0.00 C ATOM 1172 CG GLU A 115 2.432 6.172 -6.547 1.00 0.00 C ATOM 1173 CD GLU A 115 0.971 5.960 -6.193 1.00 0.00 C ATOM 1174 OE1 GLU A 115 0.249 5.339 -7.001 1.00 0.00 O ATOM 1175 OE2 GLU A 115 0.552 6.411 -5.106 1.00 0.00 O ATOM 0 H GLU A 115 4.096 5.783 -9.463 1.00 0.00 H new ATOM 0 HA GLU A 115 4.075 8.460 -8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 115 1.997 7.864 -7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.252 6.374 -8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 115 2.920 5.203 -6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 115 2.928 6.691 -5.727 1.00 0.00 H new ATOM 1182 N ILE A 116 5.293 5.858 -6.683 1.00 0.00 N ATOM 1183 CA ILE A 116 6.159 5.475 -5.568 1.00 0.00 C ATOM 1184 C ILE A 116 7.498 6.199 -5.676 1.00 0.00 C ATOM 1185 O ILE A 116 7.921 6.880 -4.740 1.00 0.00 O ATOM 1186 CB ILE A 116 6.413 3.949 -5.511 1.00 0.00 C ATOM 1187 CG1 ILE A 116 5.097 3.184 -5.361 1.00 0.00 C ATOM 1188 CG2 ILE A 116 7.351 3.607 -4.358 1.00 0.00 C ATOM 1189 CD1 ILE A 116 5.191 1.729 -5.773 1.00 0.00 C ATOM 0 H ILE A 116 4.971 5.076 -7.254 1.00 0.00 H new ATOM 0 HA ILE A 116 5.642 5.762 -4.652 1.00 0.00 H new ATOM 0 HB ILE A 116 6.882 3.649 -6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.771 3.239 -4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.331 3.674 -5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.519 2.530 -4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.303 4.119 -4.499 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.903 3.927 -3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.221 1.250 -5.640 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.486 1.666 -6.820 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.933 1.223 -5.156 1.00 0.00 H new ATOM 1201 N ALA A 117 8.148 6.063 -6.836 1.00 0.00 N ATOM 1202 CA ALA A 117 9.428 6.726 -7.082 1.00 0.00 C ATOM 1203 C ALA A 117 9.303 8.216 -6.794 1.00 0.00 C ATOM 1204 O ALA A 117 10.174 8.814 -6.160 1.00 0.00 O ATOM 1205 CB ALA A 117 9.879 6.507 -8.522 1.00 0.00 C ATOM 0 H ALA A 117 7.808 5.501 -7.616 1.00 0.00 H new ATOM 0 HA ALA A 117 10.177 6.294 -6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.833 7.008 -8.685 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.993 5.439 -8.709 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.133 6.917 -9.203 1.00 0.00 H new ATOM 1211 N LYS A 118 8.197 8.801 -7.256 1.00 0.00 N ATOM 1212 CA LYS A 118 7.926 10.218 -7.047 1.00 0.00 C ATOM 1213 C LYS A 118 7.760 10.532 -5.567 1.00 0.00 C ATOM 1214 O LYS A 118 8.390 11.453 -5.047 1.00 0.00 O ATOM 1215 CB LYS A 118 6.670 10.636 -7.800 1.00 0.00 C ATOM 1216 CG LYS A 118 6.861 11.910 -8.582 1.00 0.00 C ATOM 1217 CD LYS A 118 6.734 11.657 -10.077 1.00 0.00 C ATOM 1218 CE LYS A 118 6.583 12.955 -10.859 1.00 0.00 C ATOM 1219 NZ LYS A 118 7.756 13.221 -11.741 1.00 0.00 N ATOM 0 H LYS A 118 7.473 8.309 -7.780 1.00 0.00 H new ATOM 0 HA LYS A 118 8.779 10.779 -7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.376 9.837 -8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.853 10.768 -7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.121 12.647 -8.270 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.842 12.332 -8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.614 11.120 -10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.872 11.017 -10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.678 12.909 -11.465 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.459 13.784 -10.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.610 14.114 -12.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 8.617 13.291 -11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.861 12.443 -12.424 1.00 0.00 H new ATOM 1233 N PHE A 119 6.909 9.759 -4.898 1.00 0.00 N ATOM 1234 CA PHE A 119 6.658 9.940 -3.467 1.00 0.00 C ATOM 1235 C PHE A 119 7.972 10.006 -2.696 1.00 0.00 C ATOM 1236 O PHE A 119 8.156 10.861 -1.834 1.00 0.00 O ATOM 1237 CB PHE A 119 5.794 8.791 -2.929 1.00 0.00 C ATOM 1238 CG PHE A 119 5.672 8.763 -1.427 1.00 0.00 C ATOM 1239 CD1 PHE A 119 6.713 8.290 -0.639 1.00 0.00 C ATOM 1240 CD2 PHE A 119 4.514 9.201 -0.804 1.00 0.00 C ATOM 1241 CE1 PHE A 119 6.601 8.258 0.738 1.00 0.00 C ATOM 1242 CE2 PHE A 119 4.397 9.171 0.572 1.00 0.00 C ATOM 1243 CZ PHE A 119 5.444 8.698 1.341 1.00 0.00 C ATOM 0 H PHE A 119 6.379 8.998 -5.323 1.00 0.00 H new ATOM 0 HA PHE A 119 6.124 10.880 -3.329 1.00 0.00 H new ATOM 0 HB2 PHE A 119 4.797 8.867 -3.362 1.00 0.00 H new ATOM 0 HB3 PHE A 119 6.217 7.844 -3.266 1.00 0.00 H new ATOM 0 HD1 PHE A 119 7.622 7.943 -1.108 1.00 0.00 H new ATOM 0 HD2 PHE A 119 3.693 9.570 -1.401 1.00 0.00 H new ATOM 0 HE1 PHE A 119 7.419 7.889 1.339 1.00 0.00 H new ATOM 0 HE2 PHE A 119 3.490 9.516 1.046 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.354 8.674 2.417 1.00 0.00 H new ATOM 1253 N LEU A 120 8.886 9.095 -3.016 1.00 0.00 N ATOM 1254 CA LEU A 120 10.185 9.055 -2.357 1.00 0.00 C ATOM 1255 C LEU A 120 11.060 10.231 -2.781 1.00 0.00 C ATOM 1256 O LEU A 120 11.952 10.647 -2.041 1.00 0.00 O ATOM 1257 CB LEU A 120 10.889 7.744 -2.665 1.00 0.00 C ATOM 1258 CG LEU A 120 10.189 6.506 -2.107 1.00 0.00 C ATOM 1259 CD1 LEU A 120 10.226 5.365 -3.113 1.00 0.00 C ATOM 1260 CD2 LEU A 120 10.826 6.083 -0.793 1.00 0.00 C ATOM 0 H LEU A 120 8.750 8.376 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 120 10.018 9.129 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 120 10.979 7.639 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.901 7.786 -2.263 1.00 0.00 H new ATOM 0 HG LEU A 120 9.145 6.758 -1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.722 4.494 -2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.721 5.671 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 120 11.262 5.111 -3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.316 5.200 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 120 11.878 5.851 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.741 6.894 -0.070 1.00 0.00 H new ATOM 1272 N GLY A 121 10.788 10.772 -3.973 1.00 0.00 N ATOM 1273 CA GLY A 121 11.544 11.909 -4.463 1.00 0.00 C ATOM 1274 C GLY A 121 10.938 13.242 -4.035 1.00 0.00 C ATOM 1275 O GLY A 121 11.369 14.297 -4.503 1.00 0.00 O ATOM 0 H GLY A 121 10.058 10.440 -4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.569 11.845 -4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 121 11.591 11.868 -5.551 1.00 0.00 H new ATOM 1369 N SER A 127 8.747 11.913 5.292 1.00 0.00 N ATOM 1370 CA SER A 127 8.948 11.454 6.662 1.00 0.00 C ATOM 1371 C SER A 127 9.828 10.210 6.669 1.00 0.00 C ATOM 1372 O SER A 127 9.693 9.349 5.804 1.00 0.00 O ATOM 1373 CB SER A 127 7.606 11.148 7.329 1.00 0.00 C ATOM 1374 OG SER A 127 7.635 11.477 8.706 1.00 0.00 O ATOM 0 HA SER A 127 9.442 12.246 7.225 1.00 0.00 H new ATOM 0 HB2 SER A 127 6.814 11.710 6.834 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.369 10.091 7.209 1.00 0.00 H new ATOM 0 HG SER A 127 6.765 11.274 9.109 1.00 0.00 H new ATOM 1380 N LYS A 128 10.729 10.117 7.645 1.00 0.00 N ATOM 1381 CA LYS A 128 11.631 8.970 7.750 1.00 0.00 C ATOM 1382 C LYS A 128 10.854 7.656 7.689 1.00 0.00 C ATOM 1383 O LYS A 128 11.224 6.744 6.949 1.00 0.00 O ATOM 1384 CB LYS A 128 12.444 9.044 9.045 1.00 0.00 C ATOM 1385 CG LYS A 128 13.737 8.244 9.004 1.00 0.00 C ATOM 1386 CD LYS A 128 14.905 9.034 9.572 1.00 0.00 C ATOM 1387 CE LYS A 128 15.727 8.199 10.542 1.00 0.00 C ATOM 1388 NZ LYS A 128 16.873 8.965 11.111 1.00 0.00 N ATOM 0 H LYS A 128 10.854 10.820 8.373 1.00 0.00 H new ATOM 0 HA LYS A 128 12.316 9.002 6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 128 12.679 10.087 9.256 1.00 0.00 H new ATOM 0 HB3 LYS A 128 11.830 8.683 9.870 1.00 0.00 H new ATOM 0 HG2 LYS A 128 13.612 7.321 9.570 1.00 0.00 H new ATOM 0 HG3 LYS A 128 13.956 7.959 7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.542 9.379 8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 128 14.531 9.922 10.082 1.00 0.00 H new ATOM 0 HE2 LYS A 128 15.087 7.851 11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 128 16.102 7.314 10.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 17.405 8.358 11.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.499 9.276 10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 16.515 9.796 11.623 1.00 0.00 H new ATOM 1402 N GLU A 129 9.769 7.571 8.462 1.00 0.00 N ATOM 1403 CA GLU A 129 8.938 6.371 8.483 1.00 0.00 C ATOM 1404 C GLU A 129 8.198 6.184 7.155 1.00 0.00 C ATOM 1405 O GLU A 129 7.926 5.054 6.746 1.00 0.00 O ATOM 1406 CB GLU A 129 7.931 6.435 9.634 1.00 0.00 C ATOM 1407 CG GLU A 129 8.483 5.918 10.954 1.00 0.00 C ATOM 1408 CD GLU A 129 7.421 5.811 12.031 1.00 0.00 C ATOM 1409 OE1 GLU A 129 6.933 6.864 12.493 1.00 0.00 O ATOM 1410 OE2 GLU A 129 7.079 4.674 12.416 1.00 0.00 O ATOM 0 H GLU A 129 9.448 8.317 9.079 1.00 0.00 H new ATOM 0 HA GLU A 129 9.597 5.516 8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.606 7.467 9.765 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.048 5.854 9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.934 4.938 10.796 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.276 6.582 11.297 1.00 0.00 H new ATOM 1417 N LEU A 130 7.874 7.295 6.482 1.00 0.00 N ATOM 1418 CA LEU A 130 7.167 7.235 5.204 1.00 0.00 C ATOM 1419 C LEU A 130 8.116 6.886 4.058 1.00 0.00 C ATOM 1420 O LEU A 130 7.752 6.128 3.156 1.00 0.00 O ATOM 1421 CB LEU A 130 6.463 8.565 4.910 1.00 0.00 C ATOM 1422 CG LEU A 130 5.051 8.703 5.495 1.00 0.00 C ATOM 1423 CD1 LEU A 130 4.838 10.099 6.061 1.00 0.00 C ATOM 1424 CD2 LEU A 130 4.001 8.391 4.437 1.00 0.00 C ATOM 0 H LEU A 130 8.090 8.239 6.802 1.00 0.00 H new ATOM 0 HA LEU A 130 6.419 6.446 5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 130 7.079 9.377 5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.405 8.695 3.829 1.00 0.00 H new ATOM 0 HG LEU A 130 4.946 7.984 6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.831 10.176 6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 130 5.566 10.287 6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 130 4.964 10.836 5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.006 8.494 4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 130 4.107 9.085 3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.137 7.370 4.079 1.00 0.00 H new ATOM 1436 N ILE A 131 9.329 7.439 4.090 1.00 0.00 N ATOM 1437 CA ILE A 131 10.313 7.174 3.043 1.00 0.00 C ATOM 1438 C ILE A 131 10.651 5.690 2.988 1.00 0.00 C ATOM 1439 O ILE A 131 10.462 5.045 1.957 1.00 0.00 O ATOM 1440 CB ILE A 131 11.618 7.977 3.237 1.00 0.00 C ATOM 1441 CG1 ILE A 131 11.343 9.481 3.228 1.00 0.00 C ATOM 1442 CG2 ILE A 131 12.616 7.616 2.143 1.00 0.00 C ATOM 1443 CD1 ILE A 131 12.552 10.322 3.592 1.00 0.00 C ATOM 0 H ILE A 131 9.651 8.069 4.825 1.00 0.00 H new ATOM 0 HA ILE A 131 9.856 7.491 2.106 1.00 0.00 H new ATOM 0 HB ILE A 131 12.041 7.718 4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 131 10.993 9.772 2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.536 9.698 3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.534 8.186 2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.839 6.550 2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 131 12.189 7.853 1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 131 12.282 11.378 3.565 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.889 10.059 4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.354 10.134 2.878 1.00 0.00 H new ATOM 1455 N GLU A 132 11.141 5.150 4.105 1.00 0.00 N ATOM 1456 CA GLU A 132 11.489 3.734 4.175 1.00 0.00 C ATOM 1457 C GLU A 132 10.309 2.877 3.729 1.00 0.00 C ATOM 1458 O GLU A 132 10.494 1.805 3.153 1.00 0.00 O ATOM 1459 CB GLU A 132 11.913 3.352 5.595 1.00 0.00 C ATOM 1460 CG GLU A 132 13.131 2.439 5.639 1.00 0.00 C ATOM 1461 CD GLU A 132 14.442 3.192 5.496 1.00 0.00 C ATOM 1462 OE1 GLU A 132 14.619 4.220 6.184 1.00 0.00 O ATOM 1463 OE2 GLU A 132 15.293 2.749 4.697 1.00 0.00 O ATOM 0 H GLU A 132 11.304 5.670 4.967 1.00 0.00 H new ATOM 0 HA GLU A 132 12.329 3.553 3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 132 12.129 4.260 6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.080 2.858 6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 132 13.134 1.891 6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 132 13.054 1.700 4.841 1.00 0.00 H new ATOM 1470 N ALA A 133 9.095 3.365 3.990 1.00 0.00 N ATOM 1471 CA ALA A 133 7.880 2.660 3.609 1.00 0.00 C ATOM 1472 C ALA A 133 7.784 2.501 2.103 1.00 0.00 C ATOM 1473 O ALA A 133 7.652 1.387 1.596 1.00 0.00 O ATOM 1474 CB ALA A 133 6.659 3.398 4.130 1.00 0.00 C ATOM 0 H ALA A 133 8.932 4.252 4.467 1.00 0.00 H new ATOM 0 HA ALA A 133 7.917 1.666 4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 133 5.757 2.860 3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.708 3.461 5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.634 4.403 3.709 1.00 0.00 H new ATOM 1480 N TYR A 134 7.849 3.621 1.392 1.00 0.00 N ATOM 1481 CA TYR A 134 7.767 3.589 -0.065 1.00 0.00 C ATOM 1482 C TYR A 134 9.012 2.940 -0.669 1.00 0.00 C ATOM 1483 O TYR A 134 8.937 2.296 -1.716 1.00 0.00 O ATOM 1484 CB TYR A 134 7.556 4.993 -0.635 1.00 0.00 C ATOM 1485 CG TYR A 134 6.099 5.329 -0.886 1.00 0.00 C ATOM 1486 CD1 TYR A 134 5.208 5.492 0.169 1.00 0.00 C ATOM 1487 CD2 TYR A 134 5.617 5.487 -2.179 1.00 0.00 C ATOM 1488 CE1 TYR A 134 3.881 5.804 -0.060 1.00 0.00 C ATOM 1489 CE2 TYR A 134 4.291 5.798 -2.415 1.00 0.00 C ATOM 1490 CZ TYR A 134 3.428 5.956 -1.353 1.00 0.00 C ATOM 1491 OH TYR A 134 2.107 6.273 -1.590 1.00 0.00 O ATOM 0 H TYR A 134 7.957 4.552 1.794 1.00 0.00 H new ATOM 0 HA TYR A 134 6.903 2.982 -0.337 1.00 0.00 H new ATOM 0 HB2 TYR A 134 7.976 5.724 0.056 1.00 0.00 H new ATOM 0 HB3 TYR A 134 8.108 5.084 -1.570 1.00 0.00 H new ATOM 0 HD1 TYR A 134 5.558 5.373 1.184 1.00 0.00 H new ATOM 0 HD2 TYR A 134 6.290 5.365 -3.015 1.00 0.00 H new ATOM 0 HE1 TYR A 134 3.202 5.928 0.771 1.00 0.00 H new ATOM 0 HE2 TYR A 134 3.933 5.917 -3.427 1.00 0.00 H new ATOM 0 HH TYR A 134 1.956 6.344 -2.556 1.00 0.00 H new ATOM 1501 N GLU A 135 10.153 3.095 0.006 1.00 0.00 N ATOM 1502 CA GLU A 135 11.403 2.501 -0.460 1.00 0.00 C ATOM 1503 C GLU A 135 11.408 0.989 -0.229 1.00 0.00 C ATOM 1504 O GLU A 135 12.070 0.249 -0.959 1.00 0.00 O ATOM 1505 CB GLU A 135 12.605 3.137 0.247 1.00 0.00 C ATOM 1506 CG GLU A 135 13.753 3.469 -0.698 1.00 0.00 C ATOM 1507 CD GLU A 135 14.546 4.688 -0.263 1.00 0.00 C ATOM 1508 OE1 GLU A 135 13.939 5.763 -0.081 1.00 0.00 O ATOM 1509 OE2 GLU A 135 15.779 4.568 -0.112 1.00 0.00 O ATOM 0 H GLU A 135 10.235 3.625 0.874 1.00 0.00 H new ATOM 0 HA GLU A 135 11.482 2.693 -1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.282 4.049 0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 135 12.965 2.458 1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 135 14.422 2.611 -0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 135 13.355 3.639 -1.698 1.00 0.00 H new ATOM 1516 N ALA A 136 10.660 0.532 0.783 1.00 0.00 N ATOM 1517 CA ALA A 136 10.579 -0.894 1.092 1.00 0.00 C ATOM 1518 C ALA A 136 9.604 -1.601 0.151 1.00 0.00 C ATOM 1519 O ALA A 136 9.819 -2.752 -0.230 1.00 0.00 O ATOM 1520 CB ALA A 136 10.160 -1.103 2.539 1.00 0.00 C ATOM 0 H ALA A 136 10.106 1.129 1.397 1.00 0.00 H new ATOM 0 HA ALA A 136 11.569 -1.328 0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 136 10.105 -2.171 2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 136 10.892 -0.639 3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 136 9.183 -0.649 2.704 1.00 0.00 H new ATOM 1526 N SER A 137 8.530 -0.897 -0.221 1.00 0.00 N ATOM 1527 CA SER A 137 7.515 -1.445 -1.122 1.00 0.00 C ATOM 1528 C SER A 137 7.980 -1.430 -2.584 1.00 0.00 C ATOM 1529 O SER A 137 7.458 -2.177 -3.412 1.00 0.00 O ATOM 1530 CB SER A 137 6.207 -0.655 -0.985 1.00 0.00 C ATOM 1531 OG SER A 137 6.304 0.625 -1.595 1.00 0.00 O ATOM 0 H SER A 137 8.342 0.056 0.090 1.00 0.00 H new ATOM 0 HA SER A 137 7.349 -2.483 -0.836 1.00 0.00 H new ATOM 0 HB2 SER A 137 5.392 -1.216 -1.443 1.00 0.00 H new ATOM 0 HB3 SER A 137 5.960 -0.538 0.070 1.00 0.00 H new ATOM 0 HG SER A 137 7.222 0.958 -1.512 1.00 0.00 H new ATOM 1537 N LYS A 138 8.961 -0.573 -2.896 1.00 0.00 N ATOM 1538 CA LYS A 138 9.489 -0.463 -4.259 1.00 0.00 C ATOM 1539 C LYS A 138 10.004 -1.811 -4.773 1.00 0.00 C ATOM 1540 O LYS A 138 9.724 -2.188 -5.909 1.00 0.00 O ATOM 1541 CB LYS A 138 10.615 0.576 -4.311 1.00 0.00 C ATOM 1542 CG LYS A 138 10.871 1.139 -5.702 1.00 0.00 C ATOM 1543 CD LYS A 138 10.213 2.499 -5.888 1.00 0.00 C ATOM 1544 CE LYS A 138 11.013 3.386 -6.829 1.00 0.00 C ATOM 1545 NZ LYS A 138 11.968 4.265 -6.096 1.00 0.00 N ATOM 0 H LYS A 138 9.403 0.053 -2.223 1.00 0.00 H new ATOM 0 HA LYS A 138 8.671 -0.144 -4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 138 10.370 1.397 -3.637 1.00 0.00 H new ATOM 0 HB3 LYS A 138 11.533 0.121 -3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 138 11.945 1.229 -5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 138 10.490 0.445 -6.451 1.00 0.00 H new ATOM 0 HD2 LYS A 138 9.206 2.365 -6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 138 10.114 2.991 -4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 138 11.563 2.763 -7.534 1.00 0.00 H new ATOM 0 HE3 LYS A 138 10.330 4.002 -7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 12.504 4.840 -6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 11.441 4.891 -5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 12.626 3.678 -5.545 1.00 0.00 H new ATOM 1559 N THR A 139 10.758 -2.523 -3.925 1.00 0.00 N ATOM 1560 CA THR A 139 11.328 -3.833 -4.272 1.00 0.00 C ATOM 1561 C THR A 139 10.311 -4.738 -4.978 1.00 0.00 C ATOM 1562 O THR A 139 9.461 -5.353 -4.327 1.00 0.00 O ATOM 1563 CB THR A 139 11.843 -4.532 -3.006 1.00 0.00 C ATOM 1564 OG1 THR A 139 12.497 -3.611 -2.147 1.00 0.00 O ATOM 1565 CG2 THR A 139 12.809 -5.669 -3.286 1.00 0.00 C ATOM 0 H THR A 139 10.990 -2.209 -2.983 1.00 0.00 H new ATOM 0 HA THR A 139 12.152 -3.655 -4.963 1.00 0.00 H new ATOM 0 HB THR A 139 10.953 -4.947 -2.534 1.00 0.00 H new ATOM 0 HG1 THR A 139 12.815 -4.079 -1.347 1.00 0.00 H new ATOM 0 HG21 THR A 139 13.130 -6.114 -2.344 1.00 0.00 H new ATOM 0 HG22 THR A 139 12.314 -6.425 -3.895 1.00 0.00 H new ATOM 0 HG23 THR A 139 13.678 -5.285 -3.820 1.00 0.00 H new