USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=13 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= -0.212 K(o=-0.21,f=-1.4!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.313 X(o=-0.31,f=0) 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= 0.143 K(o=0.14,f=-2.9!) USER MOD Single : A 104 LYS NZ :NH3+ 159:sc= -0.235 (180deg=-1.13) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -166:sc=-0.00193 (180deg=-0.182) USER MOD Single : A 127 SER OG : rot 32:sc= 0.135 USER MOD Single : A 128 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00197) USER MOD Single : A 134 TYR OH : rot 180:sc= -0.236 USER MOD Single : A 137 SER OG : rot -16:sc= 0.0279 USER MOD Single : A 138 LYS NZ :NH3+ -115:sc= -0.493 (180deg=-3.6!) USER MOD Single : A 139 THR OG1 : rot 84:sc= 0.538 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 51 -4.882 -6.321 -8.367 1.00 0.00 N ATOM 92 CA ASN A 51 -5.100 -7.767 -8.425 1.00 0.00 C ATOM 93 C ASN A 51 -4.021 -8.526 -7.641 1.00 0.00 C ATOM 94 O ASN A 51 -3.209 -7.919 -6.940 1.00 0.00 O ATOM 95 CB ASN A 51 -5.123 -8.241 -9.886 1.00 0.00 C ATOM 96 CG ASN A 51 -6.530 -8.519 -10.391 1.00 0.00 C ATOM 97 OD1 ASN A 51 -7.420 -8.884 -9.623 1.00 0.00 O ATOM 98 ND2 ASN A 51 -6.737 -8.350 -11.695 1.00 0.00 N ATOM 0 HA ASN A 51 -6.064 -7.980 -7.964 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.658 -7.483 -10.517 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.522 -9.146 -9.980 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.660 -8.524 -12.092 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.972 -8.046 -12.298 1.00 0.00 H new ATOM 105 N PHE A 52 -4.024 -9.860 -7.764 1.00 0.00 N ATOM 106 CA PHE A 52 -3.051 -10.708 -7.071 1.00 0.00 C ATOM 107 C PHE A 52 -1.621 -10.339 -7.462 1.00 0.00 C ATOM 108 O PHE A 52 -1.317 -10.177 -8.645 1.00 0.00 O ATOM 109 CB PHE A 52 -3.295 -12.188 -7.388 1.00 0.00 C ATOM 110 CG PHE A 52 -4.691 -12.665 -7.085 1.00 0.00 C ATOM 111 CD1 PHE A 52 -5.275 -12.409 -5.853 1.00 0.00 C ATOM 112 CD2 PHE A 52 -5.413 -13.373 -8.031 1.00 0.00 C ATOM 113 CE1 PHE A 52 -6.553 -12.852 -5.573 1.00 0.00 C ATOM 114 CE2 PHE A 52 -6.691 -13.820 -7.756 1.00 0.00 C ATOM 115 CZ PHE A 52 -7.261 -13.557 -6.525 1.00 0.00 C ATOM 0 H PHE A 52 -4.692 -10.374 -8.339 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.180 -10.542 -6.001 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.086 -12.361 -8.444 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.586 -12.791 -6.820 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.725 -11.858 -5.105 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.972 -13.578 -8.995 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.998 -12.647 -4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.243 -14.374 -8.501 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.261 -13.903 -6.308 1.00 0.00 H new ATOM 125 N GLY A 53 -0.752 -10.218 -6.458 1.00 0.00 N ATOM 126 CA GLY A 53 0.640 -9.878 -6.708 1.00 0.00 C ATOM 127 C GLY A 53 0.806 -8.500 -7.320 1.00 0.00 C ATOM 128 O GLY A 53 1.480 -8.346 -8.340 1.00 0.00 O ATOM 0 H GLY A 53 -0.989 -10.350 -5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.195 -9.924 -5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.077 -10.622 -7.374 1.00 0.00 H new ATOM 132 N ASP A 54 0.186 -7.499 -6.698 1.00 0.00 N ATOM 133 CA ASP A 54 0.262 -6.126 -7.182 1.00 0.00 C ATOM 134 C ASP A 54 0.374 -5.144 -6.016 1.00 0.00 C ATOM 135 O ASP A 54 -0.402 -5.216 -5.060 1.00 0.00 O ATOM 136 CB ASP A 54 -0.975 -5.799 -8.024 1.00 0.00 C ATOM 137 CG ASP A 54 -0.649 -4.946 -9.237 1.00 0.00 C ATOM 138 OD1 ASP A 54 0.099 -5.423 -10.115 1.00 0.00 O ATOM 139 OD2 ASP A 54 -1.148 -3.804 -9.307 1.00 0.00 O ATOM 0 H ASP A 54 -0.376 -7.616 -5.855 1.00 0.00 H new ATOM 0 HA ASP A 54 1.154 -6.029 -7.800 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.442 -6.728 -8.353 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.704 -5.278 -7.404 1.00 0.00 H new ATOM 144 N ARG A 55 1.339 -4.228 -6.104 1.00 0.00 N ATOM 145 CA ARG A 55 1.543 -3.231 -5.055 1.00 0.00 C ATOM 146 C ARG A 55 0.369 -2.260 -5.009 1.00 0.00 C ATOM 147 O ARG A 55 0.137 -1.505 -5.955 1.00 0.00 O ATOM 148 CB ARG A 55 2.847 -2.461 -5.286 1.00 0.00 C ATOM 149 CG ARG A 55 4.078 -3.348 -5.390 1.00 0.00 C ATOM 150 CD ARG A 55 5.342 -2.586 -5.025 1.00 0.00 C ATOM 151 NE ARG A 55 6.159 -3.303 -4.047 1.00 0.00 N ATOM 152 CZ ARG A 55 5.895 -3.343 -2.738 1.00 0.00 C ATOM 153 NH1 ARG A 55 4.806 -2.754 -2.250 1.00 0.00 N ATOM 154 NH2 ARG A 55 6.720 -3.982 -1.915 1.00 0.00 N ATOM 0 H ARG A 55 1.988 -4.156 -6.887 1.00 0.00 H new ATOM 0 HA ARG A 55 1.610 -3.752 -4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.755 -1.876 -6.201 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.989 -1.754 -4.469 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.966 -4.208 -4.729 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.165 -3.735 -6.405 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.930 -2.409 -5.926 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.072 -1.609 -4.623 1.00 0.00 H new ATOM 0 HE ARG A 55 6.981 -3.803 -4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.165 -2.267 -2.877 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.612 -2.789 -1.249 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.553 -4.441 -2.283 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.520 -4.013 -0.915 1.00 0.00 H new ATOM 168 N ILE A 56 -0.374 -2.287 -3.902 1.00 0.00 N ATOM 169 CA ILE A 56 -1.532 -1.412 -3.732 1.00 0.00 C ATOM 170 C ILE A 56 -1.455 -0.628 -2.424 1.00 0.00 C ATOM 171 O ILE A 56 -0.888 -1.097 -1.434 1.00 0.00 O ATOM 172 CB ILE A 56 -2.855 -2.210 -3.766 1.00 0.00 C ATOM 173 CG1 ILE A 56 -2.885 -3.255 -2.646 1.00 0.00 C ATOM 174 CG2 ILE A 56 -3.042 -2.877 -5.125 1.00 0.00 C ATOM 175 CD1 ILE A 56 -4.250 -3.870 -2.426 1.00 0.00 C ATOM 0 H ILE A 56 -0.194 -2.905 -3.111 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.517 -0.712 -4.568 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.679 -1.514 -3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.173 -4.046 -2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.552 -2.790 -1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.979 -3.435 -5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.068 -2.115 -5.904 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.213 -3.559 -5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.194 -4.600 -1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.962 -3.089 -2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.578 -4.365 -3.340 1.00 0.00 H new ATOM 187 N LEU A 57 -2.038 0.571 -2.426 1.00 0.00 N ATOM 188 CA LEU A 57 -2.046 1.428 -1.244 1.00 0.00 C ATOM 189 C LEU A 57 -3.320 1.217 -0.433 1.00 0.00 C ATOM 190 O LEU A 57 -4.393 0.992 -0.995 1.00 0.00 O ATOM 191 CB LEU A 57 -1.926 2.900 -1.655 1.00 0.00 C ATOM 192 CG LEU A 57 -0.952 3.729 -0.817 1.00 0.00 C ATOM 193 CD1 LEU A 57 0.475 3.252 -1.031 1.00 0.00 C ATOM 194 CD2 LEU A 57 -1.078 5.205 -1.163 1.00 0.00 C ATOM 0 H LEU A 57 -2.512 0.970 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.191 1.161 -0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.614 2.946 -2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.913 3.359 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.204 3.598 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.154 3.853 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.557 2.206 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.739 3.354 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.378 5.782 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.851 5.352 -2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.095 5.541 -0.960 1.00 0.00 H new ATOM 206 N VAL A 58 -3.198 1.288 0.891 1.00 0.00 N ATOM 207 CA VAL A 58 -4.345 1.100 1.776 1.00 0.00 C ATOM 208 C VAL A 58 -4.381 2.162 2.874 1.00 0.00 C ATOM 209 O VAL A 58 -3.351 2.490 3.468 1.00 0.00 O ATOM 210 CB VAL A 58 -4.342 -0.302 2.424 1.00 0.00 C ATOM 211 CG1 VAL A 58 -4.534 -1.382 1.369 1.00 0.00 C ATOM 212 CG2 VAL A 58 -3.058 -0.538 3.212 1.00 0.00 C ATOM 0 H VAL A 58 -2.319 1.474 1.373 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.236 1.198 1.155 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.178 -0.353 3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.529 -2.362 1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.487 -1.230 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.724 -1.328 0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.082 -1.532 3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.201 -0.461 2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.972 0.211 4.000 1.00 0.00 H new ATOM 222 N LYS A 59 -5.574 2.692 3.138 1.00 0.00 N ATOM 223 CA LYS A 59 -5.750 3.712 4.167 1.00 0.00 C ATOM 224 C LYS A 59 -6.109 3.070 5.506 1.00 0.00 C ATOM 225 O LYS A 59 -7.181 2.481 5.654 1.00 0.00 O ATOM 226 CB LYS A 59 -6.835 4.707 3.746 1.00 0.00 C ATOM 227 CG LYS A 59 -6.998 5.877 4.702 1.00 0.00 C ATOM 228 CD LYS A 59 -7.971 6.910 4.155 1.00 0.00 C ATOM 229 CE LYS A 59 -8.619 7.717 5.272 1.00 0.00 C ATOM 230 NZ LYS A 59 -7.931 9.022 5.492 1.00 0.00 N ATOM 0 H LYS A 59 -6.432 2.431 2.653 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.809 4.249 4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.598 5.091 2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.786 4.181 3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.354 5.514 5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.029 6.344 4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.445 7.583 3.477 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.744 6.410 3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.666 7.896 5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.601 7.138 6.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.404 9.539 6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.938 8.852 5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.971 9.587 4.620 1.00 0.00 H new ATOM 244 N ALA A 60 -5.204 3.189 6.478 1.00 0.00 N ATOM 245 CA ALA A 60 -5.420 2.622 7.809 1.00 0.00 C ATOM 246 C ALA A 60 -6.411 3.466 8.615 1.00 0.00 C ATOM 247 O ALA A 60 -6.674 4.621 8.276 1.00 0.00 O ATOM 248 CB ALA A 60 -4.096 2.504 8.549 1.00 0.00 C ATOM 0 H ALA A 60 -4.313 3.674 6.368 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.848 1.627 7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.269 2.081 9.539 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.423 1.855 7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.646 3.492 8.650 1.00 0.00 H new ATOM 254 N PRO A 61 -6.974 2.896 9.703 1.00 0.00 N ATOM 255 CA PRO A 61 -7.934 3.604 10.560 1.00 0.00 C ATOM 256 C PRO A 61 -7.314 4.833 11.222 1.00 0.00 C ATOM 257 O PRO A 61 -6.481 4.710 12.122 1.00 0.00 O ATOM 258 CB PRO A 61 -8.324 2.563 11.614 1.00 0.00 C ATOM 259 CG PRO A 61 -7.219 1.563 11.598 1.00 0.00 C ATOM 260 CD PRO A 61 -6.715 1.527 10.186 1.00 0.00 C ATOM 0 HA PRO A 61 -8.784 3.981 9.992 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.429 3.019 12.599 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.280 2.098 11.374 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.425 1.848 12.289 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.576 0.582 11.910 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.655 1.278 10.143 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.242 0.783 9.589 1.00 0.00 H new ATOM 268 N GLY A 62 -7.714 6.015 10.757 1.00 0.00 N ATOM 269 CA GLY A 62 -7.182 7.254 11.301 1.00 0.00 C ATOM 270 C GLY A 62 -5.715 7.467 10.955 1.00 0.00 C ATOM 271 O GLY A 62 -5.025 8.242 11.620 1.00 0.00 O ATOM 0 H GLY A 62 -8.399 6.137 10.011 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.766 8.093 10.921 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.298 7.249 12.385 1.00 0.00 H new ATOM 275 N TYR A 63 -5.237 6.778 9.916 1.00 0.00 N ATOM 276 CA TYR A 63 -3.845 6.890 9.487 1.00 0.00 C ATOM 277 C TYR A 63 -3.765 7.087 7.972 1.00 0.00 C ATOM 278 O TYR A 63 -4.715 6.782 7.248 1.00 0.00 O ATOM 279 CB TYR A 63 -3.070 5.634 9.896 1.00 0.00 C ATOM 280 CG TYR A 63 -1.936 5.891 10.870 1.00 0.00 C ATOM 281 CD1 TYR A 63 -2.111 6.714 11.977 1.00 0.00 C ATOM 282 CD2 TYR A 63 -0.690 5.308 10.678 1.00 0.00 C ATOM 283 CE1 TYR A 63 -1.077 6.946 12.864 1.00 0.00 C ATOM 284 CE2 TYR A 63 0.349 5.536 11.560 1.00 0.00 C ATOM 285 CZ TYR A 63 0.150 6.355 12.651 1.00 0.00 C ATOM 286 OH TYR A 63 1.184 6.584 13.532 1.00 0.00 O ATOM 0 H TYR A 63 -5.797 6.135 9.356 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.399 7.758 9.973 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.764 4.923 10.344 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.665 5.163 9.000 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.071 7.180 12.146 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.530 4.665 9.825 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.229 7.587 13.720 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.312 5.075 11.396 1.00 0.00 H new ATOM 0 HH TYR A 63 1.979 6.093 13.238 1.00 0.00 H new ATOM 296 N PRO A 64 -2.625 7.603 7.471 1.00 0.00 N ATOM 297 CA PRO A 64 -2.428 7.840 6.033 1.00 0.00 C ATOM 298 C PRO A 64 -2.351 6.539 5.229 1.00 0.00 C ATOM 299 O PRO A 64 -2.455 5.444 5.786 1.00 0.00 O ATOM 300 CB PRO A 64 -1.097 8.593 5.971 1.00 0.00 C ATOM 301 CG PRO A 64 -0.380 8.211 7.219 1.00 0.00 C ATOM 302 CD PRO A 64 -1.443 8.000 8.261 1.00 0.00 C ATOM 0 HA PRO A 64 -3.261 8.390 5.596 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.526 8.313 5.086 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.255 9.670 5.920 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.206 7.304 7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.315 8.993 7.524 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.158 7.226 8.974 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.630 8.908 8.834 1.00 0.00 H new ATOM 310 N TRP A 65 -2.170 6.671 3.915 1.00 0.00 N ATOM 311 CA TRP A 65 -2.081 5.512 3.030 1.00 0.00 C ATOM 312 C TRP A 65 -0.667 4.929 3.041 1.00 0.00 C ATOM 313 O TRP A 65 0.308 5.647 2.817 1.00 0.00 O ATOM 314 CB TRP A 65 -2.471 5.897 1.598 1.00 0.00 C ATOM 315 CG TRP A 65 -3.860 6.452 1.472 1.00 0.00 C ATOM 316 CD1 TRP A 65 -4.314 7.647 1.953 1.00 0.00 C ATOM 317 CD2 TRP A 65 -4.974 5.835 0.815 1.00 0.00 C ATOM 318 NE1 TRP A 65 -5.642 7.808 1.640 1.00 0.00 N ATOM 319 CE2 TRP A 65 -6.069 6.711 0.939 1.00 0.00 C ATOM 320 CE3 TRP A 65 -5.153 4.629 0.131 1.00 0.00 C ATOM 321 CZ2 TRP A 65 -7.324 6.417 0.410 1.00 0.00 C ATOM 322 CZ3 TRP A 65 -6.397 4.338 -0.395 1.00 0.00 C ATOM 323 CH2 TRP A 65 -7.469 5.230 -0.254 1.00 0.00 C ATOM 0 H TRP A 65 -2.082 7.570 3.441 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.776 4.756 3.396 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -1.761 6.635 1.225 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.383 5.018 0.959 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.716 8.361 2.500 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.217 8.613 1.889 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.332 3.936 0.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -8.152 7.101 0.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.546 3.408 -0.923 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.429 4.975 -0.678 1.00 0.00 H new ATOM 334 N TRP A 66 -0.561 3.625 3.306 1.00 0.00 N ATOM 335 CA TRP A 66 0.735 2.949 3.347 1.00 0.00 C ATOM 336 C TRP A 66 0.900 1.990 2.166 1.00 0.00 C ATOM 337 O TRP A 66 -0.063 1.346 1.744 1.00 0.00 O ATOM 338 CB TRP A 66 0.896 2.184 4.663 1.00 0.00 C ATOM 339 CG TRP A 66 2.298 2.204 5.194 1.00 0.00 C ATOM 340 CD1 TRP A 66 3.166 1.152 5.266 1.00 0.00 C ATOM 341 CD2 TRP A 66 2.998 3.337 5.720 1.00 0.00 C ATOM 342 NE1 TRP A 66 4.362 1.562 5.803 1.00 0.00 N ATOM 343 CE2 TRP A 66 4.283 2.899 6.090 1.00 0.00 C ATOM 344 CE3 TRP A 66 2.663 4.681 5.911 1.00 0.00 C ATOM 345 CZ2 TRP A 66 5.231 3.757 6.642 1.00 0.00 C ATOM 346 CZ3 TRP A 66 3.607 5.530 6.456 1.00 0.00 C ATOM 347 CH2 TRP A 66 4.877 5.064 6.815 1.00 0.00 C ATOM 0 H TRP A 66 -1.358 3.017 3.495 1.00 0.00 H new ATOM 0 HA TRP A 66 1.509 3.713 3.278 1.00 0.00 H new ATOM 0 HB2 TRP A 66 0.227 2.613 5.409 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.586 1.150 4.514 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.944 0.144 4.947 1.00 0.00 H new ATOM 0 HE1 TRP A 66 5.176 0.968 5.962 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.685 5.048 5.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 6.211 3.401 6.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 3.361 6.571 6.608 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.593 5.753 7.238 1.00 0.00 H new ATOM 358 N PRO A 67 2.129 1.887 1.614 1.00 0.00 N ATOM 359 CA PRO A 67 2.417 1.004 0.475 1.00 0.00 C ATOM 360 C PRO A 67 2.434 -0.477 0.861 1.00 0.00 C ATOM 361 O PRO A 67 3.370 -0.952 1.509 1.00 0.00 O ATOM 362 CB PRO A 67 3.806 1.461 0.021 1.00 0.00 C ATOM 363 CG PRO A 67 4.442 2.008 1.251 1.00 0.00 C ATOM 364 CD PRO A 67 3.330 2.628 2.053 1.00 0.00 C ATOM 0 HA PRO A 67 1.652 1.076 -0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.382 0.631 -0.388 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.739 2.218 -0.761 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.938 1.220 1.817 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.202 2.748 1.001 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.499 2.518 3.124 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.238 3.695 1.852 1.00 0.00 H new ATOM 372 N ALA A 68 1.394 -1.201 0.449 1.00 0.00 N ATOM 373 CA ALA A 68 1.278 -2.631 0.735 1.00 0.00 C ATOM 374 C ALA A 68 1.225 -3.440 -0.565 1.00 0.00 C ATOM 375 O ALA A 68 1.192 -2.873 -1.658 1.00 0.00 O ATOM 376 CB ALA A 68 0.040 -2.894 1.583 1.00 0.00 C ATOM 0 H ALA A 68 0.615 -0.818 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 68 2.158 -2.948 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.038 -3.961 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.119 -2.346 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.848 -2.563 1.044 1.00 0.00 H new ATOM 382 N LEU A 69 1.225 -4.764 -0.441 1.00 0.00 N ATOM 383 CA LEU A 69 1.178 -5.646 -1.606 1.00 0.00 C ATOM 384 C LEU A 69 -0.008 -6.604 -1.514 1.00 0.00 C ATOM 385 O LEU A 69 -0.096 -7.403 -0.581 1.00 0.00 O ATOM 386 CB LEU A 69 2.484 -6.436 -1.730 1.00 0.00 C ATOM 387 CG LEU A 69 3.205 -6.293 -3.073 1.00 0.00 C ATOM 388 CD1 LEU A 69 4.713 -6.319 -2.878 1.00 0.00 C ATOM 389 CD2 LEU A 69 2.768 -7.387 -4.036 1.00 0.00 C ATOM 0 H LEU A 69 1.257 -5.251 0.454 1.00 0.00 H new ATOM 0 HA LEU A 69 1.054 -5.028 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.160 -6.117 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.270 -7.491 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 69 2.934 -5.330 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.207 -6.216 -3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.010 -5.495 -2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.004 -7.264 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.292 -7.268 -4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.005 -8.362 -3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.693 -7.316 -4.204 1.00 0.00 H new ATOM 401 N LEU A 70 -0.921 -6.513 -2.483 1.00 0.00 N ATOM 402 CA LEU A 70 -2.110 -7.367 -2.506 1.00 0.00 C ATOM 403 C LEU A 70 -1.738 -8.847 -2.602 1.00 0.00 C ATOM 404 O LEU A 70 -0.997 -9.253 -3.498 1.00 0.00 O ATOM 405 CB LEU A 70 -3.018 -6.988 -3.680 1.00 0.00 C ATOM 406 CG LEU A 70 -4.510 -7.258 -3.460 1.00 0.00 C ATOM 407 CD1 LEU A 70 -5.339 -6.615 -4.561 1.00 0.00 C ATOM 408 CD2 LEU A 70 -4.780 -8.755 -3.388 1.00 0.00 C ATOM 0 H LEU A 70 -0.860 -5.857 -3.262 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.643 -7.209 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.884 -5.928 -3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.692 -7.536 -4.564 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.802 -6.813 -2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.396 -6.818 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.172 -5.538 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.045 -7.027 -5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.845 -8.925 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.470 -9.226 -4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.218 -9.187 -2.560 1.00 0.00 H new ATOM 420 N LEU A 71 -2.269 -9.646 -1.675 1.00 0.00 N ATOM 421 CA LEU A 71 -2.008 -11.084 -1.654 1.00 0.00 C ATOM 422 C LEU A 71 -3.212 -11.864 -2.187 1.00 0.00 C ATOM 423 O LEU A 71 -3.086 -12.629 -3.143 1.00 0.00 O ATOM 424 CB LEU A 71 -1.671 -11.556 -0.235 1.00 0.00 C ATOM 425 CG LEU A 71 -0.660 -10.686 0.523 1.00 0.00 C ATOM 426 CD1 LEU A 71 -0.906 -10.763 2.024 1.00 0.00 C ATOM 427 CD2 LEU A 71 0.764 -11.112 0.191 1.00 0.00 C ATOM 0 H LEU A 71 -2.883 -9.320 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.152 -11.275 -2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.593 -11.600 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.281 -12.572 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.792 -9.651 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.179 -10.139 2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.913 -10.409 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.803 -11.796 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.468 -10.484 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.908 -12.154 0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.936 -11.003 -0.880 1.00 0.00 H new ATOM 439 N ARG A 72 -4.377 -11.665 -1.561 1.00 0.00 N ATOM 440 CA ARG A 72 -5.600 -12.355 -1.975 1.00 0.00 C ATOM 441 C ARG A 72 -6.851 -11.617 -1.502 1.00 0.00 C ATOM 442 O ARG A 72 -6.802 -10.831 -0.553 1.00 0.00 O ATOM 443 CB ARG A 72 -5.611 -13.788 -1.434 1.00 0.00 C ATOM 444 CG ARG A 72 -5.195 -14.831 -2.460 1.00 0.00 C ATOM 445 CD ARG A 72 -6.154 -16.011 -2.482 1.00 0.00 C ATOM 446 NE ARG A 72 -5.488 -17.252 -2.875 1.00 0.00 N ATOM 447 CZ ARG A 72 -6.128 -18.394 -3.143 1.00 0.00 C ATOM 448 NH1 ARG A 72 -7.455 -18.462 -3.063 1.00 0.00 N ATOM 449 NH2 ARG A 72 -5.436 -19.473 -3.491 1.00 0.00 N ATOM 0 H ARG A 72 -4.497 -11.034 -0.769 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.611 -12.377 -3.065 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.942 -13.848 -0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.613 -14.024 -1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.157 -14.374 -3.449 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.189 -15.184 -2.233 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.598 -16.135 -1.494 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.969 -15.802 -3.175 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.471 -17.246 -2.949 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.993 -17.638 -2.795 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.934 -19.338 -3.270 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.419 -19.428 -3.553 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.922 -20.346 -3.696 1.00 0.00 H new ATOM 463 N ARG A 73 -7.975 -11.890 -2.166 1.00 0.00 N ATOM 464 CA ARG A 73 -9.250 -11.270 -1.819 1.00 0.00 C ATOM 465 C ARG A 73 -10.189 -12.298 -1.190 1.00 0.00 C ATOM 466 O ARG A 73 -10.703 -13.186 -1.875 1.00 0.00 O ATOM 467 CB ARG A 73 -9.905 -10.631 -3.053 1.00 0.00 C ATOM 468 CG ARG A 73 -9.913 -11.517 -4.292 1.00 0.00 C ATOM 469 CD ARG A 73 -10.549 -10.806 -5.479 1.00 0.00 C ATOM 470 NE ARG A 73 -9.880 -11.120 -6.741 1.00 0.00 N ATOM 471 CZ ARG A 73 -10.083 -12.242 -7.439 1.00 0.00 C ATOM 472 NH1 ARG A 73 -10.909 -13.183 -6.986 1.00 0.00 N ATOM 473 NH2 ARG A 73 -9.451 -12.426 -8.595 1.00 0.00 N ATOM 0 H ARG A 73 -8.026 -12.540 -2.951 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.056 -10.482 -1.091 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -10.932 -10.363 -2.806 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.382 -9.704 -3.288 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.892 -11.804 -4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.460 -12.436 -4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.600 -11.088 -5.548 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.519 -9.729 -5.313 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.217 -10.440 -7.112 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.394 -13.052 -6.098 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.057 -14.035 -7.527 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.813 -11.712 -8.947 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.604 -13.281 -9.129 1.00 0.00 H new ATOM 487 N LYS A 74 -10.402 -12.174 0.120 1.00 0.00 N ATOM 488 CA LYS A 74 -11.273 -13.096 0.849 1.00 0.00 C ATOM 489 C LYS A 74 -12.628 -12.454 1.144 1.00 0.00 C ATOM 490 O LYS A 74 -12.699 -11.356 1.702 1.00 0.00 O ATOM 491 CB LYS A 74 -10.614 -13.553 2.157 1.00 0.00 C ATOM 492 CG LYS A 74 -9.817 -12.470 2.870 1.00 0.00 C ATOM 493 CD LYS A 74 -9.689 -12.760 4.357 1.00 0.00 C ATOM 494 CE LYS A 74 -10.137 -11.574 5.201 1.00 0.00 C ATOM 495 NZ LYS A 74 -10.868 -12.000 6.430 1.00 0.00 N ATOM 0 H LYS A 74 -9.984 -11.445 0.698 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.433 -13.968 0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.388 -13.921 2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.953 -14.393 1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.824 -12.395 2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.303 -11.505 2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.288 -13.634 4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.653 -13.004 4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.266 -10.983 5.485 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.780 -10.928 4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.153 -11.160 6.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.714 -12.542 6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.247 -12.595 7.014 1.00 0.00 H new ATOM 509 N GLU A 75 -13.701 -13.148 0.762 1.00 0.00 N ATOM 510 CA GLU A 75 -15.060 -12.654 0.978 1.00 0.00 C ATOM 511 C GLU A 75 -15.704 -13.317 2.194 1.00 0.00 C ATOM 512 O GLU A 75 -16.019 -14.509 2.169 1.00 0.00 O ATOM 513 CB GLU A 75 -15.918 -12.905 -0.266 1.00 0.00 C ATOM 514 CG GLU A 75 -16.761 -11.707 -0.673 1.00 0.00 C ATOM 515 CD GLU A 75 -17.804 -12.051 -1.719 1.00 0.00 C ATOM 516 OE1 GLU A 75 -18.701 -12.868 -1.418 1.00 0.00 O ATOM 517 OE2 GLU A 75 -17.724 -11.503 -2.838 1.00 0.00 O ATOM 0 H GLU A 75 -13.654 -14.056 0.300 1.00 0.00 H new ATOM 0 HA GLU A 75 -15.000 -11.582 1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.268 -13.181 -1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -16.575 -13.755 -0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -17.257 -11.301 0.209 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.109 -10.924 -1.060 1.00 0.00 H new ATOM 524 N THR A 76 -15.910 -12.534 3.253 1.00 0.00 N ATOM 525 CA THR A 76 -16.533 -13.041 4.474 1.00 0.00 C ATOM 526 C THR A 76 -17.813 -12.265 4.786 1.00 0.00 C ATOM 527 O THR A 76 -17.821 -11.035 4.775 1.00 0.00 O ATOM 528 CB THR A 76 -15.554 -12.966 5.653 1.00 0.00 C ATOM 529 OG1 THR A 76 -16.143 -13.491 6.833 1.00 0.00 O ATOM 530 CG2 THR A 76 -15.074 -11.561 5.959 1.00 0.00 C ATOM 0 H THR A 76 -15.655 -11.547 3.289 1.00 0.00 H new ATOM 0 HA THR A 76 -16.796 -14.087 4.315 1.00 0.00 H new ATOM 0 HB THR A 76 -14.694 -13.560 5.344 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.501 -13.435 7.572 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.386 -11.588 6.804 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.563 -11.153 5.087 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.928 -10.931 6.207 1.00 0.00 H new ATOM 666 N PHE A 86 -22.267 -8.395 3.034 1.00 0.00 N ATOM 667 CA PHE A 86 -20.976 -9.058 2.867 1.00 0.00 C ATOM 668 C PHE A 86 -19.844 -8.161 3.365 1.00 0.00 C ATOM 669 O PHE A 86 -19.996 -6.939 3.439 1.00 0.00 O ATOM 670 CB PHE A 86 -20.733 -9.421 1.397 1.00 0.00 C ATOM 671 CG PHE A 86 -21.809 -10.278 0.789 1.00 0.00 C ATOM 672 CD1 PHE A 86 -22.938 -9.700 0.222 1.00 0.00 C ATOM 673 CD2 PHE A 86 -21.694 -11.659 0.780 1.00 0.00 C ATOM 674 CE1 PHE A 86 -23.926 -10.485 -0.340 1.00 0.00 C ATOM 675 CE2 PHE A 86 -22.679 -12.447 0.219 1.00 0.00 C ATOM 676 CZ PHE A 86 -23.797 -11.860 -0.342 1.00 0.00 C ATOM 0 HA PHE A 86 -20.994 -9.974 3.457 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -20.644 -8.502 0.817 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -19.779 -9.942 1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -23.044 -8.625 0.221 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -20.823 -12.125 1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -24.799 -10.024 -0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -22.576 -13.522 0.219 1.00 0.00 H new ATOM 0 HZ PHE A 86 -24.568 -12.475 -0.781 1.00 0.00 H new ATOM 686 N ASN A 87 -18.712 -8.773 3.701 1.00 0.00 N ATOM 687 CA ASN A 87 -17.554 -8.033 4.187 1.00 0.00 C ATOM 688 C ASN A 87 -16.273 -8.554 3.541 1.00 0.00 C ATOM 689 O ASN A 87 -15.545 -9.356 4.131 1.00 0.00 O ATOM 690 CB ASN A 87 -17.457 -8.136 5.711 1.00 0.00 C ATOM 691 CG ASN A 87 -16.701 -6.971 6.325 1.00 0.00 C ATOM 692 OD1 ASN A 87 -15.620 -7.148 6.885 1.00 0.00 O ATOM 693 ND2 ASN A 87 -17.265 -5.773 6.221 1.00 0.00 N ATOM 0 H ASN A 87 -18.573 -9.782 3.645 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.678 -6.985 3.914 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -18.461 -8.177 6.134 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -16.960 -9.069 5.978 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -16.800 -4.955 6.614 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -18.163 -5.671 5.748 1.00 0.00 H new ATOM 700 N VAL A 88 -15.998 -8.085 2.329 1.00 0.00 N ATOM 701 CA VAL A 88 -14.800 -8.494 1.605 1.00 0.00 C ATOM 702 C VAL A 88 -13.659 -7.516 1.862 1.00 0.00 C ATOM 703 O VAL A 88 -13.870 -6.302 1.928 1.00 0.00 O ATOM 704 CB VAL A 88 -15.056 -8.602 0.086 1.00 0.00 C ATOM 705 CG1 VAL A 88 -15.551 -7.276 -0.478 1.00 0.00 C ATOM 706 CG2 VAL A 88 -13.803 -9.067 -0.647 1.00 0.00 C ATOM 0 H VAL A 88 -16.588 -7.421 1.827 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.523 -9.481 1.974 1.00 0.00 H new ATOM 0 HB VAL A 88 -15.835 -9.348 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -15.724 -7.378 -1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.482 -6.996 0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -14.802 -6.504 -0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.010 -9.135 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.997 -8.353 -0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.505 -10.046 -0.272 1.00 0.00 H new ATOM 716 N LEU A 89 -12.452 -8.052 2.007 1.00 0.00 N ATOM 717 CA LEU A 89 -11.270 -7.233 2.260 1.00 0.00 C ATOM 718 C LEU A 89 -10.123 -7.622 1.331 1.00 0.00 C ATOM 719 O LEU A 89 -10.244 -8.553 0.533 1.00 0.00 O ATOM 720 CB LEU A 89 -10.817 -7.371 3.717 1.00 0.00 C ATOM 721 CG LEU A 89 -11.938 -7.435 4.759 1.00 0.00 C ATOM 722 CD1 LEU A 89 -11.477 -8.200 5.990 1.00 0.00 C ATOM 723 CD2 LEU A 89 -12.393 -6.032 5.135 1.00 0.00 C ATOM 0 H LEU A 89 -12.265 -9.053 1.954 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.542 -6.195 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.212 -8.273 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.170 -6.528 3.958 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.786 -7.966 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.286 -8.236 6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.200 -9.215 5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.614 -7.698 6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.190 -6.094 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.553 -5.476 5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.763 -5.519 4.247 1.00 0.00 H new ATOM 735 N TYR A 90 -9.008 -6.904 1.449 1.00 0.00 N ATOM 736 CA TYR A 90 -7.832 -7.166 0.631 1.00 0.00 C ATOM 737 C TYR A 90 -6.625 -7.487 1.504 1.00 0.00 C ATOM 738 O TYR A 90 -5.991 -6.585 2.057 1.00 0.00 O ATOM 739 CB TYR A 90 -7.525 -5.958 -0.258 1.00 0.00 C ATOM 740 CG TYR A 90 -7.990 -6.132 -1.685 1.00 0.00 C ATOM 741 CD1 TYR A 90 -7.844 -7.350 -2.335 1.00 0.00 C ATOM 742 CD2 TYR A 90 -8.578 -5.084 -2.381 1.00 0.00 C ATOM 743 CE1 TYR A 90 -8.267 -7.521 -3.634 1.00 0.00 C ATOM 744 CE2 TYR A 90 -9.006 -5.246 -3.685 1.00 0.00 C ATOM 745 CZ TYR A 90 -8.849 -6.468 -4.308 1.00 0.00 C ATOM 746 OH TYR A 90 -9.272 -6.636 -5.605 1.00 0.00 O ATOM 0 H TYR A 90 -8.897 -6.133 2.108 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.043 -8.030 0.000 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.000 -5.073 0.166 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.450 -5.776 -0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.390 -8.179 -1.812 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.703 -4.127 -1.896 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.144 -8.476 -4.123 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.461 -4.421 -4.214 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.660 -5.798 -5.934 1.00 0.00 H new ATOM 756 N LYS A 91 -6.304 -8.775 1.622 1.00 0.00 N ATOM 757 CA LYS A 91 -5.161 -9.209 2.419 1.00 0.00 C ATOM 758 C LYS A 91 -3.865 -8.755 1.752 1.00 0.00 C ATOM 759 O LYS A 91 -3.397 -9.380 0.800 1.00 0.00 O ATOM 760 CB LYS A 91 -5.167 -10.735 2.587 1.00 0.00 C ATOM 761 CG LYS A 91 -6.421 -11.282 3.259 1.00 0.00 C ATOM 762 CD LYS A 91 -6.080 -12.112 4.489 1.00 0.00 C ATOM 763 CE LYS A 91 -5.876 -13.579 4.142 1.00 0.00 C ATOM 764 NZ LYS A 91 -4.944 -14.255 5.090 1.00 0.00 N ATOM 0 H LYS A 91 -6.819 -9.534 1.176 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.231 -8.757 3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.062 -11.198 1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.296 -11.029 3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.071 -10.455 3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.978 -11.894 2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.175 -11.719 4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.881 -12.020 5.223 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.838 -14.091 4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.483 -13.660 3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.834 -15.252 4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.017 -13.784 5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.330 -14.201 6.054 1.00 0.00 H new ATOM 778 N VAL A 92 -3.305 -7.646 2.237 1.00 0.00 N ATOM 779 CA VAL A 92 -2.078 -7.094 1.663 1.00 0.00 C ATOM 780 C VAL A 92 -0.902 -7.171 2.635 1.00 0.00 C ATOM 781 O VAL A 92 -1.088 -7.218 3.852 1.00 0.00 O ATOM 782 CB VAL A 92 -2.273 -5.625 1.225 1.00 0.00 C ATOM 783 CG1 VAL A 92 -3.414 -5.509 0.223 1.00 0.00 C ATOM 784 CG2 VAL A 92 -2.516 -4.723 2.432 1.00 0.00 C ATOM 0 H VAL A 92 -3.680 -7.114 3.023 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.849 -7.706 0.791 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.357 -5.293 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.534 -4.467 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.188 -6.112 -0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.337 -5.866 0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.650 -3.695 2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.412 -5.053 2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.660 -4.777 3.104 1.00 0.00 H new ATOM 794 N LEU A 93 0.312 -7.164 2.078 1.00 0.00 N ATOM 795 CA LEU A 93 1.530 -7.215 2.878 1.00 0.00 C ATOM 796 C LEU A 93 2.122 -5.816 3.023 1.00 0.00 C ATOM 797 O LEU A 93 2.240 -5.080 2.045 1.00 0.00 O ATOM 798 CB LEU A 93 2.558 -8.154 2.236 1.00 0.00 C ATOM 799 CG LEU A 93 2.429 -9.635 2.617 1.00 0.00 C ATOM 800 CD1 LEU A 93 3.447 -10.472 1.859 1.00 0.00 C ATOM 801 CD2 LEU A 93 2.596 -9.825 4.119 1.00 0.00 C ATOM 0 H LEU A 93 0.474 -7.123 1.072 1.00 0.00 H new ATOM 0 HA LEU A 93 1.277 -7.599 3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.476 -8.067 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.556 -7.812 2.509 1.00 0.00 H new ATOM 0 HG LEU A 93 1.430 -9.970 2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.340 -11.519 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.279 -10.367 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.453 -10.131 2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.501 -10.883 4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.580 -9.469 4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.827 -9.259 4.645 1.00 0.00 H new ATOM 813 N PHE A 94 2.482 -5.458 4.248 1.00 0.00 N ATOM 814 CA PHE A 94 3.055 -4.145 4.537 1.00 0.00 C ATOM 815 C PHE A 94 4.588 -4.191 4.546 1.00 0.00 C ATOM 816 O PHE A 94 5.183 -5.258 4.708 1.00 0.00 O ATOM 817 CB PHE A 94 2.542 -3.650 5.890 1.00 0.00 C ATOM 818 CG PHE A 94 1.312 -2.791 5.804 1.00 0.00 C ATOM 819 CD1 PHE A 94 0.123 -3.296 5.294 1.00 0.00 C ATOM 820 CD2 PHE A 94 1.343 -1.477 6.241 1.00 0.00 C ATOM 821 CE1 PHE A 94 -1.006 -2.503 5.221 1.00 0.00 C ATOM 822 CE2 PHE A 94 0.218 -0.682 6.171 1.00 0.00 C ATOM 823 CZ PHE A 94 -0.958 -1.195 5.659 1.00 0.00 C ATOM 0 H PHE A 94 2.387 -6.062 5.065 1.00 0.00 H new ATOM 0 HA PHE A 94 2.746 -3.458 3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.327 -4.512 6.522 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.333 -3.084 6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.080 -4.319 4.951 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.260 -1.070 6.642 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.925 -2.906 4.822 1.00 0.00 H new ATOM 0 HE2 PHE A 94 0.257 0.341 6.516 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.839 -0.573 5.601 1.00 0.00 H new ATOM 833 N PHE A 95 5.214 -3.025 4.373 1.00 0.00 N ATOM 834 CA PHE A 95 6.678 -2.917 4.359 1.00 0.00 C ATOM 835 C PHE A 95 7.129 -1.596 4.995 1.00 0.00 C ATOM 836 O PHE A 95 6.326 -0.672 5.141 1.00 0.00 O ATOM 837 CB PHE A 95 7.203 -3.001 2.916 1.00 0.00 C ATOM 838 CG PHE A 95 6.550 -4.077 2.088 1.00 0.00 C ATOM 839 CD1 PHE A 95 5.348 -3.837 1.439 1.00 0.00 C ATOM 840 CD2 PHE A 95 7.136 -5.326 1.964 1.00 0.00 C ATOM 841 CE1 PHE A 95 4.743 -4.825 0.687 1.00 0.00 C ATOM 842 CE2 PHE A 95 6.537 -6.316 1.210 1.00 0.00 C ATOM 843 CZ PHE A 95 5.338 -6.065 0.572 1.00 0.00 C ATOM 0 H PHE A 95 4.729 -2.138 4.240 1.00 0.00 H new ATOM 0 HA PHE A 95 7.086 -3.744 4.939 1.00 0.00 H new ATOM 0 HB2 PHE A 95 7.050 -2.038 2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 95 8.278 -3.178 2.941 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.880 -2.867 1.523 1.00 0.00 H new ATOM 0 HD2 PHE A 95 8.072 -5.528 2.463 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.805 -4.627 0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 95 7.005 -7.285 1.119 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.867 -6.838 -0.016 1.00 0.00 H new ATOM 853 N PRO A 96 8.419 -1.475 5.389 1.00 0.00 N ATOM 854 CA PRO A 96 9.438 -2.529 5.250 1.00 0.00 C ATOM 855 C PRO A 96 9.376 -3.589 6.356 1.00 0.00 C ATOM 856 O PRO A 96 9.832 -4.716 6.163 1.00 0.00 O ATOM 857 CB PRO A 96 10.767 -1.762 5.354 1.00 0.00 C ATOM 858 CG PRO A 96 10.409 -0.315 5.501 1.00 0.00 C ATOM 859 CD PRO A 96 8.998 -0.278 6.006 1.00 0.00 C ATOM 0 HA PRO A 96 9.299 -3.080 4.320 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.349 -2.107 6.209 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.379 -1.923 4.466 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.084 0.183 6.197 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.494 0.205 4.547 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.954 -0.318 7.094 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.479 0.630 5.699 1.00 0.00 H new ATOM 867 N ASP A 97 8.831 -3.207 7.515 1.00 0.00 N ATOM 868 CA ASP A 97 8.716 -4.098 8.682 1.00 0.00 C ATOM 869 C ASP A 97 8.266 -5.517 8.316 1.00 0.00 C ATOM 870 O ASP A 97 8.579 -6.469 9.035 1.00 0.00 O ATOM 871 CB ASP A 97 7.742 -3.502 9.704 1.00 0.00 C ATOM 872 CG ASP A 97 6.469 -2.977 9.067 1.00 0.00 C ATOM 873 OD1 ASP A 97 5.614 -3.799 8.673 1.00 0.00 O ATOM 874 OD2 ASP A 97 6.334 -1.742 8.950 1.00 0.00 O ATOM 0 H ASP A 97 8.456 -2.272 7.674 1.00 0.00 H new ATOM 0 HA ASP A 97 9.715 -4.178 9.110 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.487 -4.263 10.442 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.236 -2.691 10.240 1.00 0.00 H new ATOM 879 N PHE A 98 7.527 -5.648 7.212 1.00 0.00 N ATOM 880 CA PHE A 98 7.026 -6.943 6.748 1.00 0.00 C ATOM 881 C PHE A 98 5.842 -7.403 7.596 1.00 0.00 C ATOM 882 O PHE A 98 5.972 -8.279 8.453 1.00 0.00 O ATOM 883 CB PHE A 98 8.137 -8.007 6.746 1.00 0.00 C ATOM 884 CG PHE A 98 8.722 -8.256 5.385 1.00 0.00 C ATOM 885 CD1 PHE A 98 8.009 -8.959 4.429 1.00 0.00 C ATOM 886 CD2 PHE A 98 9.984 -7.784 5.065 1.00 0.00 C ATOM 887 CE1 PHE A 98 8.544 -9.188 3.176 1.00 0.00 C ATOM 888 CE2 PHE A 98 10.526 -8.010 3.816 1.00 0.00 C ATOM 889 CZ PHE A 98 9.805 -8.714 2.869 1.00 0.00 C ATOM 0 H PHE A 98 7.260 -4.863 6.617 1.00 0.00 H new ATOM 0 HA PHE A 98 6.685 -6.815 5.721 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.932 -7.693 7.423 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.735 -8.942 7.137 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.024 -9.333 4.665 1.00 0.00 H new ATOM 0 HD2 PHE A 98 10.550 -7.233 5.801 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.978 -9.736 2.438 1.00 0.00 H new ATOM 0 HE2 PHE A 98 11.512 -7.638 3.579 1.00 0.00 H new ATOM 0 HZ PHE A 98 10.227 -8.893 1.891 1.00 0.00 H new ATOM 899 N ASN A 99 4.688 -6.796 7.337 1.00 0.00 N ATOM 900 CA ASN A 99 3.459 -7.121 8.055 1.00 0.00 C ATOM 901 C ASN A 99 2.299 -7.255 7.065 1.00 0.00 C ATOM 902 O ASN A 99 2.521 -7.492 5.879 1.00 0.00 O ATOM 903 CB ASN A 99 3.157 -6.033 9.091 1.00 0.00 C ATOM 904 CG ASN A 99 2.688 -6.602 10.418 1.00 0.00 C ATOM 905 OD1 ASN A 99 1.706 -7.342 10.478 1.00 0.00 O ATOM 906 ND2 ASN A 99 3.385 -6.253 11.494 1.00 0.00 N ATOM 0 H ASN A 99 4.578 -6.070 6.629 1.00 0.00 H new ATOM 0 HA ASN A 99 3.586 -8.071 8.575 1.00 0.00 H new ATOM 0 HB2 ASN A 99 4.053 -5.433 9.254 1.00 0.00 H new ATOM 0 HB3 ASN A 99 2.392 -5.364 8.697 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.112 -6.601 12.413 1.00 0.00 H new ATOM 0 HD22 ASN A 99 4.193 -5.637 11.401 1.00 0.00 H new ATOM 913 N PHE A 100 1.064 -7.099 7.543 1.00 0.00 N ATOM 914 CA PHE A 100 -0.106 -7.199 6.672 1.00 0.00 C ATOM 915 C PHE A 100 -1.318 -6.520 7.303 1.00 0.00 C ATOM 916 O PHE A 100 -1.259 -6.050 8.441 1.00 0.00 O ATOM 917 CB PHE A 100 -0.433 -8.662 6.342 1.00 0.00 C ATOM 918 CG PHE A 100 0.045 -9.640 7.373 1.00 0.00 C ATOM 919 CD1 PHE A 100 1.325 -10.158 7.307 1.00 0.00 C ATOM 920 CD2 PHE A 100 -0.784 -10.032 8.408 1.00 0.00 C ATOM 921 CE1 PHE A 100 1.772 -11.054 8.255 1.00 0.00 C ATOM 922 CE2 PHE A 100 -0.344 -10.928 9.360 1.00 0.00 C ATOM 923 CZ PHE A 100 0.938 -11.439 9.285 1.00 0.00 C ATOM 0 H PHE A 100 0.849 -6.904 8.521 1.00 0.00 H new ATOM 0 HA PHE A 100 0.136 -6.684 5.742 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.512 -8.766 6.230 1.00 0.00 H new ATOM 0 HB3 PHE A 100 0.013 -8.916 5.381 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.982 -9.858 6.504 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.786 -9.633 8.472 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.773 -11.454 8.192 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.000 -11.230 10.163 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.286 -12.138 10.031 1.00 0.00 H new ATOM 933 N ALA A 101 -2.412 -6.466 6.549 1.00 0.00 N ATOM 934 CA ALA A 101 -3.641 -5.836 7.018 1.00 0.00 C ATOM 935 C ALA A 101 -4.810 -6.131 6.081 1.00 0.00 C ATOM 936 O ALA A 101 -4.634 -6.223 4.865 1.00 0.00 O ATOM 937 CB ALA A 101 -3.439 -4.332 7.148 1.00 0.00 C ATOM 0 H ALA A 101 -2.472 -6.853 5.607 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.882 -6.253 7.996 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.362 -3.870 7.499 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.639 -4.133 7.861 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.171 -3.916 6.177 1.00 0.00 H new ATOM 943 N TRP A 102 -6.005 -6.270 6.656 1.00 0.00 N ATOM 944 CA TRP A 102 -7.206 -6.542 5.869 1.00 0.00 C ATOM 945 C TRP A 102 -8.012 -5.258 5.674 1.00 0.00 C ATOM 946 O TRP A 102 -8.676 -4.784 6.598 1.00 0.00 O ATOM 947 CB TRP A 102 -8.069 -7.614 6.554 1.00 0.00 C ATOM 948 CG TRP A 102 -7.303 -8.845 6.951 1.00 0.00 C ATOM 949 CD1 TRP A 102 -6.130 -9.291 6.414 1.00 0.00 C ATOM 950 CD2 TRP A 102 -7.658 -9.786 7.973 1.00 0.00 C ATOM 951 NE1 TRP A 102 -5.733 -10.448 7.039 1.00 0.00 N ATOM 952 CE2 TRP A 102 -6.656 -10.776 7.996 1.00 0.00 C ATOM 953 CE3 TRP A 102 -8.727 -9.893 8.868 1.00 0.00 C ATOM 954 CZ2 TRP A 102 -6.690 -11.850 8.882 1.00 0.00 C ATOM 955 CZ3 TRP A 102 -8.759 -10.960 9.746 1.00 0.00 C ATOM 956 CH2 TRP A 102 -7.747 -11.928 9.745 1.00 0.00 C ATOM 0 H TRP A 102 -6.166 -6.199 7.661 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.902 -6.917 4.892 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.531 -7.183 7.442 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -8.877 -7.901 5.881 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -5.592 -8.805 5.614 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -4.888 -10.977 6.825 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.515 -9.154 8.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -5.908 -12.595 8.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -9.578 -11.049 10.444 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -7.803 -12.753 10.440 1.00 0.00 H new ATOM 967 N VAL A 103 -7.941 -4.699 4.465 1.00 0.00 N ATOM 968 CA VAL A 103 -8.653 -3.464 4.140 1.00 0.00 C ATOM 969 C VAL A 103 -9.537 -3.658 2.910 1.00 0.00 C ATOM 970 O VAL A 103 -9.127 -4.297 1.942 1.00 0.00 O ATOM 971 CB VAL A 103 -7.673 -2.298 3.879 1.00 0.00 C ATOM 972 CG1 VAL A 103 -8.423 -0.982 3.725 1.00 0.00 C ATOM 973 CG2 VAL A 103 -6.642 -2.198 4.993 1.00 0.00 C ATOM 0 H VAL A 103 -7.396 -5.084 3.693 1.00 0.00 H new ATOM 0 HA VAL A 103 -9.274 -3.215 5.001 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.149 -2.503 2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.711 -0.177 3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -9.114 -1.053 2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.981 -0.772 4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -5.963 -1.370 4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -7.148 -2.025 5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.075 -3.127 5.048 1.00 0.00 H new ATOM 983 N LYS A 104 -10.747 -3.107 2.954 1.00 0.00 N ATOM 984 CA LYS A 104 -11.686 -3.227 1.836 1.00 0.00 C ATOM 985 C LYS A 104 -11.167 -2.493 0.598 1.00 0.00 C ATOM 986 O LYS A 104 -10.283 -1.641 0.692 1.00 0.00 O ATOM 987 CB LYS A 104 -13.061 -2.669 2.220 1.00 0.00 C ATOM 988 CG LYS A 104 -13.683 -3.342 3.431 1.00 0.00 C ATOM 989 CD LYS A 104 -15.023 -2.715 3.787 1.00 0.00 C ATOM 990 CE LYS A 104 -15.359 -2.906 5.260 1.00 0.00 C ATOM 991 NZ LYS A 104 -14.295 -2.369 6.156 1.00 0.00 N ATOM 0 H LYS A 104 -11.102 -2.574 3.748 1.00 0.00 H new ATOM 0 HA LYS A 104 -11.781 -4.287 1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -12.966 -1.601 2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -13.736 -2.776 1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.819 -4.404 3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.005 -3.263 4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -15.000 -1.651 3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -15.807 -3.159 3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -16.303 -2.409 5.483 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -15.501 -3.967 5.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -14.693 -2.191 7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.523 -3.061 6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.926 -1.480 5.762 1.00 0.00 H new ATOM 1005 N ARG A 105 -11.737 -2.825 -0.562 1.00 0.00 N ATOM 1006 CA ARG A 105 -11.345 -2.195 -1.826 1.00 0.00 C ATOM 1007 C ARG A 105 -11.638 -0.691 -1.818 1.00 0.00 C ATOM 1008 O ARG A 105 -11.024 0.069 -2.566 1.00 0.00 O ATOM 1009 CB ARG A 105 -12.071 -2.843 -3.007 1.00 0.00 C ATOM 1010 CG ARG A 105 -12.090 -4.364 -2.965 1.00 0.00 C ATOM 1011 CD ARG A 105 -13.500 -4.895 -2.772 1.00 0.00 C ATOM 1012 NE ARG A 105 -14.415 -4.429 -3.817 1.00 0.00 N ATOM 1013 CZ ARG A 105 -15.743 -4.373 -3.676 1.00 0.00 C ATOM 1014 NH1 ARG A 105 -16.318 -4.760 -2.541 1.00 0.00 N ATOM 1015 NH2 ARG A 105 -16.500 -3.926 -4.674 1.00 0.00 N ATOM 0 H ARG A 105 -12.472 -3.527 -0.653 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.271 -2.343 -1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.098 -2.478 -3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.595 -2.522 -3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.674 -4.760 -3.891 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.453 -4.715 -2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.479 -5.985 -2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.874 -4.581 -1.797 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.014 -4.129 -4.706 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.745 -5.103 -1.770 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -17.332 -4.714 -2.442 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -16.067 -3.626 -5.547 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -17.513 -3.883 -4.566 1.00 0.00 H new ATOM 1029 N ASN A 106 -12.574 -0.265 -0.969 1.00 0.00 N ATOM 1030 CA ASN A 106 -12.934 1.148 -0.868 1.00 0.00 C ATOM 1031 C ASN A 106 -11.763 1.971 -0.335 1.00 0.00 C ATOM 1032 O ASN A 106 -11.601 3.136 -0.697 1.00 0.00 O ATOM 1033 CB ASN A 106 -14.154 1.326 0.039 1.00 0.00 C ATOM 1034 CG ASN A 106 -15.360 0.538 -0.445 1.00 0.00 C ATOM 1035 OD1 ASN A 106 -15.628 0.459 -1.643 1.00 0.00 O ATOM 1036 ND2 ASN A 106 -16.095 -0.056 0.491 1.00 0.00 N ATOM 0 H ASN A 106 -13.095 -0.878 -0.342 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.181 1.505 -1.868 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.900 1.010 1.051 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.412 2.384 0.091 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.915 -0.602 0.226 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.839 0.034 1.474 1.00 0.00 H new ATOM 1043 N SER A 107 -10.944 1.354 0.520 1.00 0.00 N ATOM 1044 CA SER A 107 -9.782 2.031 1.089 1.00 0.00 C ATOM 1045 C SER A 107 -8.488 1.618 0.379 1.00 0.00 C ATOM 1046 O SER A 107 -7.391 1.839 0.900 1.00 0.00 O ATOM 1047 CB SER A 107 -9.678 1.735 2.588 1.00 0.00 C ATOM 1048 OG SER A 107 -10.318 2.744 3.351 1.00 0.00 O ATOM 0 H SER A 107 -11.065 0.390 0.831 1.00 0.00 H new ATOM 0 HA SER A 107 -9.917 3.103 0.943 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.132 0.768 2.804 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.629 1.666 2.877 1.00 0.00 H new ATOM 0 HG SER A 107 -10.240 2.532 4.305 1.00 0.00 H new ATOM 1054 N VAL A 108 -8.613 1.029 -0.818 1.00 0.00 N ATOM 1055 CA VAL A 108 -7.445 0.605 -1.586 1.00 0.00 C ATOM 1056 C VAL A 108 -7.114 1.611 -2.694 1.00 0.00 C ATOM 1057 O VAL A 108 -7.960 2.419 -3.082 1.00 0.00 O ATOM 1058 CB VAL A 108 -7.648 -0.799 -2.201 1.00 0.00 C ATOM 1059 CG1 VAL A 108 -8.471 -0.729 -3.483 1.00 0.00 C ATOM 1060 CG2 VAL A 108 -6.306 -1.469 -2.456 1.00 0.00 C ATOM 0 H VAL A 108 -9.508 0.838 -1.269 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.608 0.560 -0.889 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.204 -1.402 -1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.596 -1.732 -3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.450 -0.302 -3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.957 -0.103 -4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.469 -2.456 -2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.721 -0.862 -3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.765 -1.570 -1.515 1.00 0.00 H new ATOM 1070 N LYS A 109 -5.877 1.556 -3.197 1.00 0.00 N ATOM 1071 CA LYS A 109 -5.430 2.461 -4.254 1.00 0.00 C ATOM 1072 C LYS A 109 -4.344 1.808 -5.115 1.00 0.00 C ATOM 1073 O LYS A 109 -3.393 1.231 -4.590 1.00 0.00 O ATOM 1074 CB LYS A 109 -4.894 3.759 -3.647 1.00 0.00 C ATOM 1075 CG LYS A 109 -4.831 4.913 -4.634 1.00 0.00 C ATOM 1076 CD LYS A 109 -6.211 5.489 -4.908 1.00 0.00 C ATOM 1077 CE LYS A 109 -6.170 6.550 -5.998 1.00 0.00 C ATOM 1078 NZ LYS A 109 -7.512 6.785 -6.605 1.00 0.00 N ATOM 0 H LYS A 109 -5.168 0.892 -2.887 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.287 2.685 -4.889 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -5.526 4.045 -2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.896 3.578 -3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.181 5.695 -4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.387 4.570 -5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -6.888 4.688 -5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.613 5.923 -3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.793 7.484 -5.580 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -5.470 6.243 -6.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -7.437 7.515 -7.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -7.862 5.901 -7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -8.175 7.103 -5.869 1.00 0.00 H new ATOM 1092 N PRO A 110 -4.470 1.893 -6.455 1.00 0.00 N ATOM 1093 CA PRO A 110 -3.490 1.307 -7.378 1.00 0.00 C ATOM 1094 C PRO A 110 -2.176 2.089 -7.403 1.00 0.00 C ATOM 1095 O PRO A 110 -2.099 3.176 -7.978 1.00 0.00 O ATOM 1096 CB PRO A 110 -4.193 1.382 -8.736 1.00 0.00 C ATOM 1097 CG PRO A 110 -5.136 2.528 -8.613 1.00 0.00 C ATOM 1098 CD PRO A 110 -5.574 2.563 -7.173 1.00 0.00 C ATOM 0 HA PRO A 110 -3.208 0.295 -7.088 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -3.478 1.543 -9.543 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.723 0.456 -8.959 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.651 3.463 -8.894 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.991 2.400 -9.276 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -5.717 3.585 -6.823 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.520 2.041 -7.029 1.00 0.00 H new ATOM 1106 N LEU A 111 -1.147 1.525 -6.771 1.00 0.00 N ATOM 1107 CA LEU A 111 0.167 2.164 -6.713 1.00 0.00 C ATOM 1108 C LEU A 111 1.050 1.714 -7.878 1.00 0.00 C ATOM 1109 O LEU A 111 1.114 0.525 -8.195 1.00 0.00 O ATOM 1110 CB LEU A 111 0.855 1.841 -5.381 1.00 0.00 C ATOM 1111 CG LEU A 111 1.491 3.037 -4.661 1.00 0.00 C ATOM 1112 CD1 LEU A 111 2.338 2.565 -3.489 1.00 0.00 C ATOM 1113 CD2 LEU A 111 2.331 3.863 -5.626 1.00 0.00 C ATOM 0 H LEU A 111 -1.198 0.626 -6.292 1.00 0.00 H new ATOM 0 HA LEU A 111 0.021 3.241 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.123 1.385 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.629 1.095 -5.563 1.00 0.00 H new ATOM 0 HG LEU A 111 0.690 3.669 -4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.781 3.427 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.711 2.020 -2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.129 1.910 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.773 4.706 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.124 3.241 -6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.699 4.234 -6.433 1.00 0.00 H new ATOM 1125 N LEU A 112 1.734 2.673 -8.506 1.00 0.00 N ATOM 1126 CA LEU A 112 2.619 2.379 -9.633 1.00 0.00 C ATOM 1127 C LEU A 112 4.065 2.775 -9.314 1.00 0.00 C ATOM 1128 O LEU A 112 4.320 3.509 -8.358 1.00 0.00 O ATOM 1129 CB LEU A 112 2.140 3.099 -10.903 1.00 0.00 C ATOM 1130 CG LEU A 112 1.555 4.503 -10.689 1.00 0.00 C ATOM 1131 CD1 LEU A 112 1.938 5.430 -11.835 1.00 0.00 C ATOM 1132 CD2 LEU A 112 0.041 4.429 -10.541 1.00 0.00 C ATOM 0 H LEU A 112 1.691 3.660 -8.252 1.00 0.00 H new ATOM 0 HA LEU A 112 2.588 1.304 -9.809 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.980 3.176 -11.594 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.385 2.480 -11.387 1.00 0.00 H new ATOM 0 HG LEU A 112 1.974 4.913 -9.770 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.512 6.418 -11.661 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.024 5.508 -11.893 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.552 5.029 -12.772 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.359 5.432 -10.390 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.392 3.997 -11.443 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.211 3.805 -9.684 1.00 0.00 H new ATOM 1144 N ASP A 113 5.002 2.281 -10.124 1.00 0.00 N ATOM 1145 CA ASP A 113 6.429 2.571 -9.944 1.00 0.00 C ATOM 1146 C ASP A 113 6.695 4.072 -9.990 1.00 0.00 C ATOM 1147 O ASP A 113 7.450 4.603 -9.173 1.00 0.00 O ATOM 1148 CB ASP A 113 7.259 1.873 -11.026 1.00 0.00 C ATOM 1149 CG ASP A 113 7.116 0.364 -10.987 1.00 0.00 C ATOM 1150 OD1 ASP A 113 6.051 -0.144 -11.398 1.00 0.00 O ATOM 1151 OD2 ASP A 113 8.072 -0.310 -10.549 1.00 0.00 O ATOM 0 H ASP A 113 4.798 1.673 -10.918 1.00 0.00 H new ATOM 0 HA ASP A 113 6.721 2.194 -8.964 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.952 2.238 -12.006 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.309 2.138 -10.901 1.00 0.00 H new ATOM 1156 N SER A 114 6.067 4.749 -10.951 1.00 0.00 N ATOM 1157 CA SER A 114 6.226 6.192 -11.105 1.00 0.00 C ATOM 1158 C SER A 114 5.699 6.932 -9.877 1.00 0.00 C ATOM 1159 O SER A 114 6.216 7.990 -9.523 1.00 0.00 O ATOM 1160 CB SER A 114 5.506 6.676 -12.370 1.00 0.00 C ATOM 1161 OG SER A 114 5.374 8.091 -12.387 1.00 0.00 O ATOM 0 H SER A 114 5.443 4.320 -11.634 1.00 0.00 H new ATOM 0 HA SER A 114 7.290 6.409 -11.203 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.059 6.351 -13.251 1.00 0.00 H new ATOM 0 HB3 SER A 114 4.519 6.217 -12.426 1.00 0.00 H new ATOM 0 HG SER A 114 4.913 8.367 -13.206 1.00 0.00 H new ATOM 1167 N GLU A 115 4.677 6.369 -9.226 1.00 0.00 N ATOM 1168 CA GLU A 115 4.102 6.991 -8.033 1.00 0.00 C ATOM 1169 C GLU A 115 4.986 6.746 -6.810 1.00 0.00 C ATOM 1170 O GLU A 115 5.191 7.647 -5.996 1.00 0.00 O ATOM 1171 CB GLU A 115 2.687 6.463 -7.771 1.00 0.00 C ATOM 1172 CG GLU A 115 1.621 7.122 -8.633 1.00 0.00 C ATOM 1173 CD GLU A 115 1.382 8.571 -8.258 1.00 0.00 C ATOM 1174 OE1 GLU A 115 0.758 8.816 -7.202 1.00 0.00 O ATOM 1175 OE2 GLU A 115 1.821 9.462 -9.016 1.00 0.00 O ATOM 0 H GLU A 115 4.235 5.492 -9.502 1.00 0.00 H new ATOM 0 HA GLU A 115 4.046 8.065 -8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.671 5.388 -7.948 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.439 6.617 -6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 115 1.920 7.066 -9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.688 6.567 -8.538 1.00 0.00 H new ATOM 1182 N ILE A 116 5.515 5.526 -6.687 1.00 0.00 N ATOM 1183 CA ILE A 116 6.385 5.173 -5.568 1.00 0.00 C ATOM 1184 C ILE A 116 7.660 6.009 -5.606 1.00 0.00 C ATOM 1185 O ILE A 116 8.005 6.675 -4.627 1.00 0.00 O ATOM 1186 CB ILE A 116 6.754 3.670 -5.572 1.00 0.00 C ATOM 1187 CG1 ILE A 116 5.491 2.802 -5.577 1.00 0.00 C ATOM 1188 CG2 ILE A 116 7.622 3.332 -4.368 1.00 0.00 C ATOM 1189 CD1 ILE A 116 5.695 1.436 -6.200 1.00 0.00 C ATOM 0 H ILE A 116 5.355 4.768 -7.350 1.00 0.00 H new ATOM 0 HA ILE A 116 5.832 5.382 -4.652 1.00 0.00 H new ATOM 0 HB ILE A 116 7.320 3.460 -6.480 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.143 2.676 -4.552 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.703 3.325 -6.119 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.872 2.271 -4.386 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.538 3.922 -4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 116 7.078 3.561 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.759 0.878 -6.168 1.00 0.00 H new ATOM 0 HD12 ILE A 116 6.013 1.552 -7.236 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.460 0.893 -5.644 1.00 0.00 H new ATOM 1201 N ALA A 117 8.342 5.991 -6.754 1.00 0.00 N ATOM 1202 CA ALA A 117 9.563 6.772 -6.938 1.00 0.00 C ATOM 1203 C ALA A 117 9.293 8.238 -6.625 1.00 0.00 C ATOM 1204 O ALA A 117 10.112 8.916 -5.999 1.00 0.00 O ATOM 1205 CB ALA A 117 10.084 6.624 -8.362 1.00 0.00 C ATOM 0 H ALA A 117 8.067 5.443 -7.569 1.00 0.00 H new ATOM 0 HA ALA A 117 10.324 6.397 -6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.994 7.213 -8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 117 10.302 5.575 -8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.329 6.978 -9.064 1.00 0.00 H new ATOM 1211 N LYS A 118 8.129 8.717 -7.067 1.00 0.00 N ATOM 1212 CA LYS A 118 7.724 10.098 -6.838 1.00 0.00 C ATOM 1213 C LYS A 118 7.527 10.375 -5.358 1.00 0.00 C ATOM 1214 O LYS A 118 8.092 11.324 -4.818 1.00 0.00 O ATOM 1215 CB LYS A 118 6.438 10.413 -7.590 1.00 0.00 C ATOM 1216 CG LYS A 118 6.526 11.703 -8.362 1.00 0.00 C ATOM 1217 CD LYS A 118 6.456 11.454 -9.861 1.00 0.00 C ATOM 1218 CE LYS A 118 6.211 12.738 -10.640 1.00 0.00 C ATOM 1219 NZ LYS A 118 4.836 13.273 -10.422 1.00 0.00 N ATOM 0 H LYS A 118 7.449 8.163 -7.588 1.00 0.00 H new ATOM 0 HA LYS A 118 8.523 10.739 -7.210 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.212 9.597 -8.276 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.611 10.472 -6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.713 12.365 -8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.458 12.212 -8.119 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.387 10.998 -10.197 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.658 10.743 -10.074 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.943 13.488 -10.341 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.362 12.551 -11.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 4.628 13.998 -11.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 4.146 12.499 -10.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.774 13.695 -9.473 1.00 0.00 H new ATOM 1233 N PHE A 119 6.720 9.539 -4.709 1.00 0.00 N ATOM 1234 CA PHE A 119 6.452 9.690 -3.275 1.00 0.00 C ATOM 1235 C PHE A 119 7.756 9.882 -2.508 1.00 0.00 C ATOM 1236 O PHE A 119 7.869 10.774 -1.668 1.00 0.00 O ATOM 1237 CB PHE A 119 5.701 8.459 -2.749 1.00 0.00 C ATOM 1238 CG PHE A 119 5.620 8.359 -1.245 1.00 0.00 C ATOM 1239 CD1 PHE A 119 6.719 7.959 -0.499 1.00 0.00 C ATOM 1240 CD2 PHE A 119 4.438 8.649 -0.581 1.00 0.00 C ATOM 1241 CE1 PHE A 119 6.641 7.850 0.876 1.00 0.00 C ATOM 1242 CE2 PHE A 119 4.355 8.538 0.793 1.00 0.00 C ATOM 1243 CZ PHE A 119 5.459 8.140 1.521 1.00 0.00 C ATOM 0 H PHE A 119 6.241 8.753 -5.148 1.00 0.00 H new ATOM 0 HA PHE A 119 5.830 10.573 -3.125 1.00 0.00 H new ATOM 0 HB2 PHE A 119 4.689 8.469 -3.153 1.00 0.00 H new ATOM 0 HB3 PHE A 119 6.188 7.563 -3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 119 7.648 7.730 -1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 119 3.573 8.965 -1.144 1.00 0.00 H new ATOM 0 HE1 PHE A 119 7.505 7.538 1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 119 3.427 8.762 1.298 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.396 8.056 2.596 1.00 0.00 H new ATOM 1253 N LEU A 120 8.740 9.042 -2.818 1.00 0.00 N ATOM 1254 CA LEU A 120 10.043 9.119 -2.172 1.00 0.00 C ATOM 1255 C LEU A 120 10.773 10.397 -2.569 1.00 0.00 C ATOM 1256 O LEU A 120 11.488 10.990 -1.756 1.00 0.00 O ATOM 1257 CB LEU A 120 10.881 7.898 -2.532 1.00 0.00 C ATOM 1258 CG LEU A 120 10.340 6.575 -1.992 1.00 0.00 C ATOM 1259 CD1 LEU A 120 10.590 5.446 -2.980 1.00 0.00 C ATOM 1260 CD2 LEU A 120 10.969 6.260 -0.644 1.00 0.00 C ATOM 0 H LEU A 120 8.658 8.300 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 120 9.889 9.137 -1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 120 10.953 7.830 -3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.893 8.043 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 120 9.263 6.672 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 120 10.197 4.514 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 120 10.091 5.671 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 120 11.661 5.343 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.575 5.315 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 120 12.050 6.183 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.733 7.056 0.062 1.00 0.00 H new ATOM 1272 N GLY A 121 10.573 10.836 -3.817 1.00 0.00 N ATOM 1273 CA GLY A 121 11.203 12.057 -4.282 1.00 0.00 C ATOM 1274 C GLY A 121 10.341 13.288 -4.028 1.00 0.00 C ATOM 1275 O GLY A 121 10.544 14.327 -4.657 1.00 0.00 O ATOM 0 H GLY A 121 9.987 10.366 -4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.164 12.180 -3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 121 11.407 11.974 -5.349 1.00 0.00 H new ATOM 1369 N SER A 127 8.507 11.788 5.443 1.00 0.00 N ATOM 1370 CA SER A 127 8.955 11.381 6.775 1.00 0.00 C ATOM 1371 C SER A 127 9.863 10.155 6.688 1.00 0.00 C ATOM 1372 O SER A 127 9.707 9.331 5.793 1.00 0.00 O ATOM 1373 CB SER A 127 7.748 11.080 7.667 1.00 0.00 C ATOM 1374 OG SER A 127 6.776 12.111 7.579 1.00 0.00 O ATOM 0 HA SER A 127 9.524 12.201 7.213 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.302 10.130 7.372 1.00 0.00 H new ATOM 0 HB3 SER A 127 8.075 10.972 8.701 1.00 0.00 H new ATOM 0 HG SER A 127 6.788 12.496 6.678 1.00 0.00 H new ATOM 1380 N LYS A 128 10.813 10.041 7.623 1.00 0.00 N ATOM 1381 CA LYS A 128 11.747 8.909 7.642 1.00 0.00 C ATOM 1382 C LYS A 128 11.004 7.577 7.592 1.00 0.00 C ATOM 1383 O LYS A 128 11.332 6.707 6.783 1.00 0.00 O ATOM 1384 CB LYS A 128 12.644 8.966 8.883 1.00 0.00 C ATOM 1385 CG LYS A 128 14.016 9.556 8.609 1.00 0.00 C ATOM 1386 CD LYS A 128 15.026 9.173 9.682 1.00 0.00 C ATOM 1387 CE LYS A 128 16.320 8.642 9.076 1.00 0.00 C ATOM 1388 NZ LYS A 128 17.012 9.659 8.228 1.00 0.00 N ATOM 0 H LYS A 128 10.955 10.716 8.374 1.00 0.00 H new ATOM 0 HA LYS A 128 12.373 8.984 6.753 1.00 0.00 H new ATOM 0 HB2 LYS A 128 12.149 9.558 9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 128 12.763 7.959 9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 128 14.371 9.212 7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 128 13.939 10.642 8.554 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.245 10.042 10.302 1.00 0.00 H new ATOM 0 HD3 LYS A 128 14.593 8.416 10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.989 8.324 9.876 1.00 0.00 H new ATOM 0 HE3 LYS A 128 16.101 7.760 8.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 17.903 9.262 7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 16.400 9.919 7.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.216 10.505 8.798 1.00 0.00 H new ATOM 1402 N GLU A 129 9.996 7.427 8.452 1.00 0.00 N ATOM 1403 CA GLU A 129 9.200 6.200 8.494 1.00 0.00 C ATOM 1404 C GLU A 129 8.415 6.016 7.194 1.00 0.00 C ATOM 1405 O GLU A 129 8.187 4.887 6.757 1.00 0.00 O ATOM 1406 CB GLU A 129 8.237 6.222 9.686 1.00 0.00 C ATOM 1407 CG GLU A 129 8.891 5.835 11.004 1.00 0.00 C ATOM 1408 CD GLU A 129 8.106 6.306 12.216 1.00 0.00 C ATOM 1409 OE1 GLU A 129 7.715 7.494 12.248 1.00 0.00 O ATOM 1410 OE2 GLU A 129 7.885 5.490 13.133 1.00 0.00 O ATOM 0 H GLU A 129 9.712 8.137 9.127 1.00 0.00 H new ATOM 0 HA GLU A 129 9.885 5.360 8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.812 7.221 9.781 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.410 5.541 9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.998 4.751 11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.896 6.256 11.042 1.00 0.00 H new ATOM 1417 N LEU A 130 8.005 7.128 6.578 1.00 0.00 N ATOM 1418 CA LEU A 130 7.247 7.071 5.329 1.00 0.00 C ATOM 1419 C LEU A 130 8.162 6.757 4.147 1.00 0.00 C ATOM 1420 O LEU A 130 7.848 5.894 3.327 1.00 0.00 O ATOM 1421 CB LEU A 130 6.501 8.388 5.080 1.00 0.00 C ATOM 1422 CG LEU A 130 5.086 8.459 5.664 1.00 0.00 C ATOM 1423 CD1 LEU A 130 4.787 9.860 6.176 1.00 0.00 C ATOM 1424 CD2 LEU A 130 4.054 8.041 4.623 1.00 0.00 C ATOM 0 H LEU A 130 8.184 8.071 6.922 1.00 0.00 H new ATOM 0 HA LEU A 130 6.515 6.269 5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 130 7.090 9.205 5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.441 8.555 4.005 1.00 0.00 H new ATOM 0 HG LEU A 130 5.029 7.766 6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.778 9.890 6.587 1.00 0.00 H new ATOM 0 HD12 LEU A 130 5.503 10.124 6.954 1.00 0.00 H new ATOM 0 HD13 LEU A 130 4.865 10.572 5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.056 8.098 5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 130 4.114 8.708 3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.253 7.018 4.304 1.00 0.00 H new ATOM 1436 N ILE A 131 9.295 7.455 4.062 1.00 0.00 N ATOM 1437 CA ILE A 131 10.245 7.234 2.976 1.00 0.00 C ATOM 1438 C ILE A 131 10.754 5.797 2.995 1.00 0.00 C ATOM 1439 O ILE A 131 10.705 5.102 1.982 1.00 0.00 O ATOM 1440 CB ILE A 131 11.448 8.200 3.045 1.00 0.00 C ATOM 1441 CG1 ILE A 131 10.971 9.657 3.037 1.00 0.00 C ATOM 1442 CG2 ILE A 131 12.400 7.943 1.882 1.00 0.00 C ATOM 1443 CD1 ILE A 131 11.816 10.581 3.890 1.00 0.00 C ATOM 0 H ILE A 131 9.575 8.174 4.729 1.00 0.00 H new ATOM 0 HA ILE A 131 9.709 7.426 2.047 1.00 0.00 H new ATOM 0 HB ILE A 131 11.983 8.021 3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 131 10.971 10.024 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 131 9.940 9.694 3.389 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.243 8.631 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.765 6.917 1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.874 8.097 0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 131 11.417 11.594 3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 131 11.796 10.240 4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 131 12.843 10.575 3.525 1.00 0.00 H new ATOM 1455 N GLU A 132 11.230 5.350 4.157 1.00 0.00 N ATOM 1456 CA GLU A 132 11.731 3.987 4.299 1.00 0.00 C ATOM 1457 C GLU A 132 10.678 2.982 3.840 1.00 0.00 C ATOM 1458 O GLU A 132 11.008 1.939 3.272 1.00 0.00 O ATOM 1459 CB GLU A 132 12.132 3.707 5.749 1.00 0.00 C ATOM 1460 CG GLU A 132 13.634 3.720 5.977 1.00 0.00 C ATOM 1461 CD GLU A 132 14.003 3.954 7.428 1.00 0.00 C ATOM 1462 OE1 GLU A 132 13.751 3.055 8.257 1.00 0.00 O ATOM 1463 OE2 GLU A 132 14.544 5.037 7.735 1.00 0.00 O ATOM 0 H GLU A 132 11.278 5.910 5.008 1.00 0.00 H new ATOM 0 HA GLU A 132 12.614 3.881 3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 132 11.668 4.452 6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.736 2.736 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 132 14.056 2.770 5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 132 14.084 4.499 5.362 1.00 0.00 H new ATOM 1470 N ALA A 133 9.408 3.313 4.080 1.00 0.00 N ATOM 1471 CA ALA A 133 8.298 2.453 3.684 1.00 0.00 C ATOM 1472 C ALA A 133 8.221 2.312 2.174 1.00 0.00 C ATOM 1473 O ALA A 133 8.211 1.199 1.646 1.00 0.00 O ATOM 1474 CB ALA A 133 6.990 3.000 4.226 1.00 0.00 C ATOM 0 H ALA A 133 9.125 4.174 4.548 1.00 0.00 H new ATOM 0 HA ALA A 133 8.473 1.464 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 133 6.170 2.349 3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 133 7.037 3.043 5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.823 4.002 3.830 1.00 0.00 H new ATOM 1480 N TYR A 134 8.175 3.446 1.482 1.00 0.00 N ATOM 1481 CA TYR A 134 8.111 3.441 0.025 1.00 0.00 C ATOM 1482 C TYR A 134 9.411 2.903 -0.564 1.00 0.00 C ATOM 1483 O TYR A 134 9.412 2.304 -1.639 1.00 0.00 O ATOM 1484 CB TYR A 134 7.798 4.833 -0.520 1.00 0.00 C ATOM 1485 CG TYR A 134 6.331 5.023 -0.842 1.00 0.00 C ATOM 1486 CD1 TYR A 134 5.372 5.033 0.164 1.00 0.00 C ATOM 1487 CD2 TYR A 134 5.904 5.193 -2.153 1.00 0.00 C ATOM 1488 CE1 TYR A 134 4.034 5.208 -0.128 1.00 0.00 C ATOM 1489 CE2 TYR A 134 4.568 5.368 -2.452 1.00 0.00 C ATOM 1490 CZ TYR A 134 3.637 5.376 -1.438 1.00 0.00 C ATOM 1491 OH TYR A 134 2.307 5.555 -1.732 1.00 0.00 O ATOM 0 H TYR A 134 8.181 4.375 1.904 1.00 0.00 H new ATOM 0 HA TYR A 134 7.298 2.780 -0.276 1.00 0.00 H new ATOM 0 HB2 TYR A 134 8.104 5.581 0.211 1.00 0.00 H new ATOM 0 HB3 TYR A 134 8.388 5.006 -1.420 1.00 0.00 H new ATOM 0 HD1 TYR A 134 5.679 4.902 1.191 1.00 0.00 H new ATOM 0 HD2 TYR A 134 6.630 5.188 -2.952 1.00 0.00 H new ATOM 0 HE1 TYR A 134 3.302 5.213 0.666 1.00 0.00 H new ATOM 0 HE2 TYR A 134 4.254 5.498 -3.477 1.00 0.00 H new ATOM 0 HH TYR A 134 2.197 5.659 -2.700 1.00 0.00 H new ATOM 1501 N GLU A 135 10.514 3.083 0.166 1.00 0.00 N ATOM 1502 CA GLU A 135 11.805 2.567 -0.270 1.00 0.00 C ATOM 1503 C GLU A 135 11.736 1.044 -0.343 1.00 0.00 C ATOM 1504 O GLU A 135 12.373 0.420 -1.194 1.00 0.00 O ATOM 1505 CB GLU A 135 12.918 2.995 0.689 1.00 0.00 C ATOM 1506 CG GLU A 135 14.296 3.027 0.043 1.00 0.00 C ATOM 1507 CD GLU A 135 14.940 4.401 0.088 1.00 0.00 C ATOM 1508 OE1 GLU A 135 14.256 5.392 -0.249 1.00 0.00 O ATOM 1509 OE2 GLU A 135 16.129 4.485 0.455 1.00 0.00 O ATOM 0 H GLU A 135 10.535 3.580 1.056 1.00 0.00 H new ATOM 0 HA GLU A 135 12.034 2.975 -1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.687 3.985 1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 135 12.939 2.311 1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 135 14.945 2.311 0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 135 14.212 2.705 -0.995 1.00 0.00 H new ATOM 1516 N ALA A 136 10.933 0.454 0.554 1.00 0.00 N ATOM 1517 CA ALA A 136 10.747 -0.994 0.591 1.00 0.00 C ATOM 1518 C ALA A 136 9.774 -1.445 -0.501 1.00 0.00 C ATOM 1519 O ALA A 136 9.860 -2.572 -0.991 1.00 0.00 O ATOM 1520 CB ALA A 136 10.249 -1.432 1.962 1.00 0.00 C ATOM 0 H ALA A 136 10.404 0.963 1.262 1.00 0.00 H new ATOM 0 HA ALA A 136 11.711 -1.467 0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 136 10.116 -2.514 1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 136 10.978 -1.149 2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 136 9.296 -0.947 2.175 1.00 0.00 H new ATOM 1526 N SER A 137 8.850 -0.556 -0.881 1.00 0.00 N ATOM 1527 CA SER A 137 7.866 -0.859 -1.920 1.00 0.00 C ATOM 1528 C SER A 137 8.432 -0.612 -3.324 1.00 0.00 C ATOM 1529 O SER A 137 7.905 -1.129 -4.310 1.00 0.00 O ATOM 1530 CB SER A 137 6.582 -0.044 -1.712 1.00 0.00 C ATOM 1531 OG SER A 137 6.805 1.342 -1.907 1.00 0.00 O ATOM 0 H SER A 137 8.765 0.379 -0.483 1.00 0.00 H new ATOM 0 HA SER A 137 7.624 -1.919 -1.838 1.00 0.00 H new ATOM 0 HB2 SER A 137 5.815 -0.390 -2.404 1.00 0.00 H new ATOM 0 HB3 SER A 137 6.202 -0.214 -0.704 1.00 0.00 H new ATOM 0 HG SER A 137 7.767 1.526 -1.877 1.00 0.00 H new ATOM 1537 N LYS A 138 9.502 0.184 -3.412 1.00 0.00 N ATOM 1538 CA LYS A 138 10.134 0.501 -4.697 1.00 0.00 C ATOM 1539 C LYS A 138 10.550 -0.759 -5.463 1.00 0.00 C ATOM 1540 O LYS A 138 10.650 -0.726 -6.690 1.00 0.00 O ATOM 1541 CB LYS A 138 11.360 1.394 -4.486 1.00 0.00 C ATOM 1542 CG LYS A 138 11.085 2.873 -4.704 1.00 0.00 C ATOM 1543 CD LYS A 138 11.275 3.276 -6.160 1.00 0.00 C ATOM 1544 CE LYS A 138 10.223 2.649 -7.065 1.00 0.00 C ATOM 1545 NZ LYS A 138 10.370 3.086 -8.482 1.00 0.00 N ATOM 0 H LYS A 138 9.950 0.622 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 138 9.390 1.029 -5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 138 11.734 1.249 -3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 138 12.151 1.077 -5.166 1.00 0.00 H new ATOM 0 HG2 LYS A 138 10.066 3.103 -4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 138 11.751 3.463 -4.074 1.00 0.00 H new ATOM 0 HD2 LYS A 138 11.227 4.362 -6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 138 12.268 2.974 -6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 138 10.300 1.563 -7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 138 9.230 2.916 -6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 9.536 3.641 -8.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 11.224 3.672 -8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 10.453 2.251 -9.096 1.00 0.00 H new ATOM 1559 N THR A 139 10.797 -1.858 -4.739 1.00 0.00 N ATOM 1560 CA THR A 139 11.202 -3.125 -5.359 1.00 0.00 C ATOM 1561 C THR A 139 10.383 -3.421 -6.615 1.00 0.00 C ATOM 1562 O THR A 139 9.206 -3.783 -6.523 1.00 0.00 O ATOM 1563 CB THR A 139 11.056 -4.288 -4.367 1.00 0.00 C ATOM 1564 OG1 THR A 139 11.103 -3.834 -3.024 1.00 0.00 O ATOM 1565 CG2 THR A 139 12.120 -5.355 -4.528 1.00 0.00 C ATOM 0 H THR A 139 10.723 -1.895 -3.722 1.00 0.00 H new ATOM 0 HA THR A 139 12.249 -3.024 -5.644 1.00 0.00 H new ATOM 0 HB THR A 139 10.084 -4.725 -4.595 1.00 0.00 H new ATOM 0 HG1 THR A 139 10.213 -3.530 -2.750 1.00 0.00 H new ATOM 0 HG21 THR A 139 11.956 -6.146 -3.796 1.00 0.00 H new ATOM 0 HG22 THR A 139 12.066 -5.774 -5.533 1.00 0.00 H new ATOM 0 HG23 THR A 139 13.104 -4.914 -4.371 1.00 0.00 H new