USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: D 27 ASN :FLIP amide:sc= -0.105 F(o=-0.88,f=0.11) USER MOD Set 1.2: D 32 HIS : no HE2:sc= 0.215 K(o=0.11,f=-2.1!) USER MOD Single : C 19 TYR OH : rot 180:sc= 0 USER MOD Single : C 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 23 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.16) USER MOD Single : C 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 25 TYR OH : rot 180:sc= 0 USER MOD Single : C 27 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : C 30 THR OG1 : rot 170:sc= 0.0893 USER MOD Single : C 32 HIS : no HE2:sc= 0.406 K(o=0.41,f=-2.1!) USER MOD Single : C 34 TYR OH : rot 180:sc= 0 USER MOD Single : D 19 TYR OH : rot 122:sc= 0.341 USER MOD Single : D 20 ASN : amide:sc= -0.0392 X(o=-0.039,f=0) USER MOD Single : D 23 GLN : amide:sc= 0 X(o=0,f=0.39) USER MOD Single : D 24 GLN : amide:sc= -0.0171 K(o=-0.017,f=-0.54) USER MOD Single : D 25 TYR OH : rot 180:sc= 0 USER MOD Single : D 30 THR OG1 : rot 180:sc= 0 USER MOD Single : D 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 121 N PRO C 11 -6.150 -7.423 7.843 1.00 0.00 N ATOM 122 CA PRO C 11 -7.520 -6.982 7.609 1.00 0.00 C ATOM 123 C PRO C 11 -7.518 -5.568 7.030 1.00 0.00 C ATOM 124 O PRO C 11 -6.678 -4.759 7.416 1.00 0.00 O ATOM 125 CB PRO C 11 -8.199 -7.064 8.975 1.00 0.00 C ATOM 126 CG PRO C 11 -7.062 -6.882 9.970 1.00 0.00 C ATOM 127 CD PRO C 11 -5.892 -7.568 9.271 1.00 0.00 C ATOM 0 HA PRO C 11 -8.054 -7.594 6.882 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -8.957 -6.289 9.090 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -8.700 -8.022 9.114 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -6.857 -5.829 10.163 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -7.287 -7.344 10.931 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -4.944 -7.106 9.547 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -5.828 -8.619 9.553 1.00 0.00 H new ATOM 135 N VAL C 12 -8.512 -5.232 6.206 1.00 0.00 N ATOM 136 CA VAL C 12 -8.641 -3.925 5.553 1.00 0.00 C ATOM 137 C VAL C 12 -8.603 -2.781 6.566 1.00 0.00 C ATOM 138 O VAL C 12 -7.914 -1.794 6.334 1.00 0.00 O ATOM 139 CB VAL C 12 -9.910 -3.870 4.672 1.00 0.00 C ATOM 140 CG1 VAL C 12 -9.761 -2.750 3.633 1.00 0.00 C ATOM 141 CG2 VAL C 12 -10.178 -5.196 3.940 1.00 0.00 C ATOM 0 H VAL C 12 -9.268 -5.874 5.968 1.00 0.00 H new ATOM 0 HA VAL C 12 -7.779 -3.795 4.898 1.00 0.00 H new ATOM 0 HB VAL C 12 -10.755 -3.679 5.334 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -10.655 -2.710 3.011 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -9.631 -1.796 4.143 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -8.891 -2.948 3.006 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -11.080 -5.102 3.336 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -9.332 -5.433 3.295 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -10.312 -5.994 4.670 1.00 0.00 H new ATOM 151 N GLU C 13 -9.282 -2.920 7.704 1.00 0.00 N ATOM 152 CA GLU C 13 -9.322 -1.908 8.751 1.00 0.00 C ATOM 153 C GLU C 13 -7.921 -1.570 9.265 1.00 0.00 C ATOM 154 O GLU C 13 -7.660 -0.411 9.593 1.00 0.00 O ATOM 155 CB GLU C 13 -10.216 -2.437 9.873 1.00 0.00 C ATOM 156 CG GLU C 13 -10.262 -1.522 11.096 1.00 0.00 C ATOM 157 CD GLU C 13 -11.222 -2.034 12.165 1.00 0.00 C ATOM 158 OE1 GLU C 13 -11.342 -3.268 12.357 1.00 0.00 O ATOM 159 OE2 GLU C 13 -11.774 -1.174 12.893 1.00 0.00 O ATOM 0 H GLU C 13 -9.827 -3.753 7.925 1.00 0.00 H new ATOM 0 HA GLU C 13 -9.728 -0.978 8.353 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -11.228 -2.569 9.489 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -9.860 -3.421 10.178 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -9.262 -1.435 11.520 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -10.565 -0.521 10.787 1.00 0.00 H new ATOM 166 N ASP C 14 -7.071 -2.582 9.454 1.00 0.00 N ATOM 167 CA ASP C 14 -5.712 -2.365 9.934 1.00 0.00 C ATOM 168 C ASP C 14 -4.845 -1.890 8.780 1.00 0.00 C ATOM 169 O ASP C 14 -4.160 -0.878 8.910 1.00 0.00 O ATOM 170 CB ASP C 14 -5.114 -3.630 10.555 1.00 0.00 C ATOM 171 CG ASP C 14 -3.794 -3.278 11.240 1.00 0.00 C ATOM 172 OD1 ASP C 14 -3.872 -2.673 12.338 1.00 0.00 O ATOM 173 OD2 ASP C 14 -2.725 -3.628 10.705 1.00 0.00 O ATOM 0 H ASP C 14 -7.304 -3.560 9.281 1.00 0.00 H new ATOM 0 HA ASP C 14 -5.745 -1.606 10.716 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -5.809 -4.059 11.277 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -4.948 -4.384 9.785 1.00 0.00 H new ATOM 178 N LEU C 15 -4.989 -2.533 7.612 1.00 0.00 N ATOM 179 CA LEU C 15 -4.255 -2.218 6.397 1.00 0.00 C ATOM 180 C LEU C 15 -4.474 -0.755 6.022 1.00 0.00 C ATOM 181 O LEU C 15 -3.551 -0.152 5.508 1.00 0.00 O ATOM 182 CB LEU C 15 -4.596 -3.186 5.245 1.00 0.00 C ATOM 183 CG LEU C 15 -3.521 -3.200 4.129 1.00 0.00 C ATOM 184 CD1 LEU C 15 -2.256 -3.951 4.552 1.00 0.00 C ATOM 185 CD2 LEU C 15 -4.046 -3.904 2.871 1.00 0.00 C ATOM 0 H LEU C 15 -5.641 -3.308 7.493 1.00 0.00 H new ATOM 0 HA LEU C 15 -3.191 -2.358 6.589 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -4.709 -4.193 5.646 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -5.557 -2.905 4.813 1.00 0.00 H new ATOM 0 HG LEU C 15 -3.288 -2.154 3.933 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -1.533 -3.933 3.737 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -1.825 -3.471 5.430 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -2.509 -4.984 4.790 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -3.273 -3.901 2.103 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -4.312 -4.933 3.114 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -4.927 -3.379 2.501 1.00 0.00 H new ATOM 197 N ILE C 16 -5.628 -0.148 6.316 1.00 0.00 N ATOM 198 CA ILE C 16 -5.912 1.256 6.026 1.00 0.00 C ATOM 199 C ILE C 16 -4.942 2.137 6.820 1.00 0.00 C ATOM 200 O ILE C 16 -4.381 3.088 6.269 1.00 0.00 O ATOM 201 CB ILE C 16 -7.398 1.569 6.360 1.00 0.00 C ATOM 202 CG1 ILE C 16 -8.286 1.109 5.190 1.00 0.00 C ATOM 203 CG2 ILE C 16 -7.681 3.065 6.611 1.00 0.00 C ATOM 204 CD1 ILE C 16 -9.749 0.875 5.558 1.00 0.00 C ATOM 0 H ILE C 16 -6.404 -0.630 6.771 1.00 0.00 H new ATOM 0 HA ILE C 16 -5.766 1.466 4.966 1.00 0.00 H new ATOM 0 HB ILE C 16 -7.620 1.035 7.284 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -8.239 1.857 4.399 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -7.876 0.186 4.780 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -8.738 3.202 6.837 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -7.082 3.413 7.452 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -7.423 3.638 5.721 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -10.300 0.554 4.674 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -9.812 0.103 6.325 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -10.181 1.801 5.938 1.00 0.00 H new ATOM 216 N ARG C 17 -4.857 1.931 8.137 1.00 0.00 N ATOM 217 CA ARG C 17 -3.992 2.712 9.019 1.00 0.00 C ATOM 218 C ARG C 17 -2.526 2.431 8.695 1.00 0.00 C ATOM 219 O ARG C 17 -1.758 3.371 8.474 1.00 0.00 O ATOM 220 CB ARG C 17 -4.371 2.399 10.479 1.00 0.00 C ATOM 221 CG ARG C 17 -4.059 3.573 11.419 1.00 0.00 C ATOM 222 CD ARG C 17 -4.692 3.389 12.807 1.00 0.00 C ATOM 223 NE ARG C 17 -4.971 4.686 13.449 1.00 0.00 N ATOM 224 CZ ARG C 17 -6.002 4.932 14.269 1.00 0.00 C ATOM 225 NH1 ARG C 17 -6.701 3.934 14.805 1.00 0.00 N ATOM 226 NH2 ARG C 17 -6.371 6.183 14.516 1.00 0.00 N ATOM 0 H ARG C 17 -5.392 1.211 8.623 1.00 0.00 H new ATOM 0 HA ARG C 17 -4.134 3.782 8.866 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -5.434 2.162 10.535 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -3.829 1.514 10.812 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -2.979 3.675 11.525 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -4.424 4.499 10.975 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -5.618 2.821 12.714 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -4.023 2.805 13.439 1.00 0.00 H new ATOM 0 HE ARG C 17 -4.330 5.455 13.254 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -6.454 2.967 14.593 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -7.483 4.136 15.428 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -5.870 6.958 14.082 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -7.156 6.369 15.140 1.00 0.00 H new ATOM 240 N PHE C 18 -2.185 1.152 8.557 1.00 0.00 N ATOM 241 CA PHE C 18 -0.861 0.649 8.235 1.00 0.00 C ATOM 242 C PHE C 18 -0.375 1.224 6.904 1.00 0.00 C ATOM 243 O PHE C 18 0.743 1.717 6.846 1.00 0.00 O ATOM 244 CB PHE C 18 -0.937 -0.882 8.216 1.00 0.00 C ATOM 245 CG PHE C 18 0.186 -1.612 7.508 1.00 0.00 C ATOM 246 CD1 PHE C 18 0.059 -1.921 6.140 1.00 0.00 C ATOM 247 CD2 PHE C 18 1.305 -2.065 8.228 1.00 0.00 C ATOM 248 CE1 PHE C 18 1.016 -2.732 5.507 1.00 0.00 C ATOM 249 CE2 PHE C 18 2.283 -2.841 7.584 1.00 0.00 C ATOM 250 CZ PHE C 18 2.124 -3.195 6.232 1.00 0.00 C ATOM 0 H PHE C 18 -2.866 0.401 8.674 1.00 0.00 H new ATOM 0 HA PHE C 18 -0.133 0.962 8.983 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -0.974 -1.233 9.247 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -1.878 -1.170 7.747 1.00 0.00 H new ATOM 0 HD1 PHE C 18 -0.776 -1.534 5.576 1.00 0.00 H new ATOM 0 HD2 PHE C 18 1.413 -1.817 9.274 1.00 0.00 H new ATOM 0 HE1 PHE C 18 0.899 -2.998 4.467 1.00 0.00 H new ATOM 0 HE2 PHE C 18 3.158 -3.166 8.128 1.00 0.00 H new ATOM 0 HZ PHE C 18 2.857 -3.825 5.751 1.00 0.00 H new ATOM 260 N TYR C 19 -1.220 1.254 5.869 1.00 0.00 N ATOM 261 CA TYR C 19 -0.929 1.764 4.530 1.00 0.00 C ATOM 262 C TYR C 19 -0.471 3.217 4.576 1.00 0.00 C ATOM 263 O TYR C 19 0.336 3.640 3.747 1.00 0.00 O ATOM 264 CB TYR C 19 -2.176 1.609 3.645 1.00 0.00 C ATOM 265 CG TYR C 19 -2.181 2.460 2.398 1.00 0.00 C ATOM 266 CD1 TYR C 19 -2.706 3.764 2.468 1.00 0.00 C ATOM 267 CD2 TYR C 19 -1.626 1.974 1.201 1.00 0.00 C ATOM 268 CE1 TYR C 19 -2.640 4.609 1.353 1.00 0.00 C ATOM 269 CE2 TYR C 19 -1.563 2.818 0.075 1.00 0.00 C ATOM 270 CZ TYR C 19 -2.057 4.142 0.155 1.00 0.00 C ATOM 271 OH TYR C 19 -1.932 4.988 -0.899 1.00 0.00 O ATOM 0 H TYR C 19 -2.175 0.904 5.949 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.111 1.184 4.103 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -2.269 0.563 3.354 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -3.057 1.854 4.238 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -3.161 4.114 3.383 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -1.251 0.963 1.145 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -3.033 5.613 1.409 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -1.138 2.455 -0.849 1.00 0.00 H new ATOM 0 HH TYR C 19 -1.511 4.517 -1.648 1.00 0.00 H new ATOM 281 N ASN C 20 -1.056 4.027 5.462 1.00 0.00 N ATOM 282 CA ASN C 20 -0.645 5.421 5.561 1.00 0.00 C ATOM 283 C ASN C 20 0.800 5.438 6.027 1.00 0.00 C ATOM 284 O ASN C 20 1.666 5.989 5.366 1.00 0.00 O ATOM 285 CB ASN C 20 -1.544 6.209 6.522 1.00 0.00 C ATOM 286 CG ASN C 20 -1.858 7.561 5.910 1.00 0.00 C ATOM 287 OD1 ASN C 20 -0.970 8.348 5.618 1.00 0.00 O ATOM 288 ND2 ASN C 20 -3.102 7.769 5.514 1.00 0.00 N ATOM 0 H ASN C 20 -1.797 3.747 6.104 1.00 0.00 H new ATOM 0 HA ASN C 20 -0.739 5.906 4.589 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -2.466 5.659 6.712 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -1.046 6.338 7.483 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -3.329 8.594 4.958 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -3.835 7.105 5.764 1.00 0.00 H new ATOM 295 N ASP C 21 1.076 4.684 7.087 1.00 0.00 N ATOM 296 CA ASP C 21 2.394 4.562 7.686 1.00 0.00 C ATOM 297 C ASP C 21 3.428 3.928 6.751 1.00 0.00 C ATOM 298 O ASP C 21 4.619 4.258 6.789 1.00 0.00 O ATOM 299 CB ASP C 21 2.255 3.743 8.967 1.00 0.00 C ATOM 300 CG ASP C 21 3.165 4.323 10.025 1.00 0.00 C ATOM 301 OD1 ASP C 21 4.398 4.142 9.934 1.00 0.00 O ATOM 302 OD2 ASP C 21 2.639 4.867 11.019 1.00 0.00 O ATOM 0 H ASP C 21 0.367 4.127 7.564 1.00 0.00 H new ATOM 0 HA ASP C 21 2.767 5.564 7.898 1.00 0.00 H new ATOM 0 HB2 ASP C 21 1.221 3.756 9.312 1.00 0.00 H new ATOM 0 HB3 ASP C 21 2.514 2.701 8.778 1.00 0.00 H new ATOM 307 N LEU C 22 2.964 3.068 5.846 1.00 0.00 N ATOM 308 CA LEU C 22 3.762 2.356 4.858 1.00 0.00 C ATOM 309 C LEU C 22 4.464 3.342 3.914 1.00 0.00 C ATOM 310 O LEU C 22 5.516 3.012 3.366 1.00 0.00 O ATOM 311 CB LEU C 22 2.864 1.328 4.134 1.00 0.00 C ATOM 312 CG LEU C 22 3.472 -0.053 3.835 1.00 0.00 C ATOM 313 CD1 LEU C 22 4.501 -0.026 2.714 1.00 0.00 C ATOM 314 CD2 LEU C 22 4.045 -0.738 5.080 1.00 0.00 C ATOM 0 H LEU C 22 1.972 2.840 5.781 1.00 0.00 H new ATOM 0 HA LEU C 22 4.565 1.799 5.342 1.00 0.00 H new ATOM 0 HB2 LEU C 22 1.968 1.179 4.737 1.00 0.00 H new ATOM 0 HB3 LEU C 22 2.543 1.767 3.189 1.00 0.00 H new ATOM 0 HG LEU C 22 2.632 -0.654 3.488 1.00 0.00 H new ATOM 0 HD11 LEU C 22 4.891 -1.031 2.554 1.00 0.00 H new ATOM 0 HD12 LEU C 22 4.031 0.332 1.798 1.00 0.00 H new ATOM 0 HD13 LEU C 22 5.319 0.641 2.987 1.00 0.00 H new ATOM 0 HD21 LEU C 22 4.459 -1.708 4.804 1.00 0.00 H new ATOM 0 HD22 LEU C 22 4.831 -0.116 5.508 1.00 0.00 H new ATOM 0 HD23 LEU C 22 3.253 -0.878 5.815 1.00 0.00 H new ATOM 326 N GLN C 23 3.999 4.597 3.853 1.00 0.00 N ATOM 327 CA GLN C 23 4.586 5.646 3.033 1.00 0.00 C ATOM 328 C GLN C 23 6.044 5.874 3.459 1.00 0.00 C ATOM 329 O GLN C 23 6.900 6.191 2.630 1.00 0.00 O ATOM 330 CB GLN C 23 3.738 6.930 3.171 1.00 0.00 C ATOM 331 CG GLN C 23 3.946 7.701 4.494 1.00 0.00 C ATOM 332 CD GLN C 23 2.838 8.686 4.879 1.00 0.00 C ATOM 333 OE1 GLN C 23 2.699 9.010 6.056 1.00 0.00 O ATOM 334 NE2 GLN C 23 2.051 9.201 3.946 1.00 0.00 N ATOM 0 H GLN C 23 3.188 4.910 4.386 1.00 0.00 H new ATOM 0 HA GLN C 23 4.589 5.354 1.983 1.00 0.00 H new ATOM 0 HB2 GLN C 23 3.971 7.594 2.339 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.684 6.665 3.082 1.00 0.00 H new ATOM 0 HG2 GLN C 23 4.056 6.976 5.300 1.00 0.00 H new ATOM 0 HG3 GLN C 23 4.886 8.250 4.428 1.00 0.00 H new ATOM 0 HE21 GLN C 23 2.171 8.929 2.970 1.00 0.00 H new ATOM 0 HE22 GLN C 23 1.325 9.870 4.203 1.00 0.00 H new ATOM 343 N GLN C 24 6.325 5.761 4.761 1.00 0.00 N ATOM 344 CA GLN C 24 7.642 5.946 5.341 1.00 0.00 C ATOM 345 C GLN C 24 8.485 4.692 5.113 1.00 0.00 C ATOM 346 O GLN C 24 9.662 4.794 4.784 1.00 0.00 O ATOM 347 CB GLN C 24 7.469 6.252 6.833 1.00 0.00 C ATOM 348 CG GLN C 24 8.790 6.627 7.507 1.00 0.00 C ATOM 349 CD GLN C 24 8.551 7.011 8.958 1.00 0.00 C ATOM 350 OE1 GLN C 24 8.257 8.164 9.270 1.00 0.00 O ATOM 351 NE2 GLN C 24 8.692 6.074 9.877 1.00 0.00 N ATOM 0 H GLN C 24 5.614 5.531 5.455 1.00 0.00 H new ATOM 0 HA GLN C 24 8.164 6.779 4.869 1.00 0.00 H new ATOM 0 HB2 GLN C 24 6.758 7.069 6.954 1.00 0.00 H new ATOM 0 HB3 GLN C 24 7.043 5.382 7.333 1.00 0.00 H new ATOM 0 HG2 GLN C 24 9.484 5.788 7.455 1.00 0.00 H new ATOM 0 HG3 GLN C 24 9.254 7.458 6.976 1.00 0.00 H new ATOM 0 HE21 GLN C 24 8.936 5.123 9.602 1.00 0.00 H new ATOM 0 HE22 GLN C 24 8.557 6.301 10.862 1.00 0.00 H new ATOM 360 N TYR C 25 7.880 3.511 5.250 1.00 0.00 N ATOM 361 CA TYR C 25 8.534 2.221 5.070 1.00 0.00 C ATOM 362 C TYR C 25 9.079 2.113 3.639 1.00 0.00 C ATOM 363 O TYR C 25 10.273 1.861 3.451 1.00 0.00 O ATOM 364 CB TYR C 25 7.523 1.124 5.424 1.00 0.00 C ATOM 365 CG TYR C 25 8.064 -0.287 5.484 1.00 0.00 C ATOM 366 CD1 TYR C 25 8.920 -0.661 6.536 1.00 0.00 C ATOM 367 CD2 TYR C 25 7.648 -1.246 4.539 1.00 0.00 C ATOM 368 CE1 TYR C 25 9.366 -1.989 6.638 1.00 0.00 C ATOM 369 CE2 TYR C 25 8.097 -2.576 4.626 1.00 0.00 C ATOM 370 CZ TYR C 25 8.964 -2.944 5.680 1.00 0.00 C ATOM 371 OH TYR C 25 9.392 -4.225 5.801 1.00 0.00 O ATOM 0 H TYR C 25 6.894 3.427 5.496 1.00 0.00 H new ATOM 0 HA TYR C 25 9.394 2.108 5.730 1.00 0.00 H new ATOM 0 HB2 TYR C 25 7.082 1.364 6.392 1.00 0.00 H new ATOM 0 HB3 TYR C 25 6.717 1.151 4.691 1.00 0.00 H new ATOM 0 HD1 TYR C 25 9.234 0.072 7.264 1.00 0.00 H new ATOM 0 HD2 TYR C 25 6.979 -0.957 3.742 1.00 0.00 H new ATOM 0 HE1 TYR C 25 10.017 -2.279 7.450 1.00 0.00 H new ATOM 0 HE2 TYR C 25 7.783 -3.308 3.896 1.00 0.00 H new ATOM 0 HH TYR C 25 9.029 -4.762 5.066 1.00 0.00 H new ATOM 381 N LEU C 26 8.244 2.385 2.626 1.00 0.00 N ATOM 382 CA LEU C 26 8.631 2.350 1.209 1.00 0.00 C ATOM 383 C LEU C 26 9.691 3.413 0.924 1.00 0.00 C ATOM 384 O LEU C 26 10.461 3.258 -0.028 1.00 0.00 O ATOM 385 CB LEU C 26 7.425 2.667 0.301 1.00 0.00 C ATOM 386 CG LEU C 26 6.516 1.484 -0.059 1.00 0.00 C ATOM 387 CD1 LEU C 26 5.317 2.005 -0.849 1.00 0.00 C ATOM 388 CD2 LEU C 26 7.236 0.438 -0.915 1.00 0.00 C ATOM 0 H LEU C 26 7.267 2.639 2.770 1.00 0.00 H new ATOM 0 HA LEU C 26 9.011 1.349 1.004 1.00 0.00 H new ATOM 0 HB2 LEU C 26 6.818 3.428 0.791 1.00 0.00 H new ATOM 0 HB3 LEU C 26 7.799 3.105 -0.624 1.00 0.00 H new ATOM 0 HG LEU C 26 6.209 1.009 0.873 1.00 0.00 H new ATOM 0 HD11 LEU C 26 4.664 1.172 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU C 26 4.765 2.722 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU C 26 5.665 2.493 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU C 26 6.551 -0.379 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU C 26 7.575 0.898 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU C 26 8.095 0.049 -0.368 1.00 0.00 H new ATOM 400 N ASN C 27 9.729 4.496 1.706 1.00 0.00 N ATOM 401 CA ASN C 27 10.703 5.569 1.533 1.00 0.00 C ATOM 402 C ASN C 27 12.123 5.025 1.724 1.00 0.00 C ATOM 403 O ASN C 27 13.059 5.545 1.118 1.00 0.00 O ATOM 404 CB ASN C 27 10.435 6.724 2.517 1.00 0.00 C ATOM 405 CG ASN C 27 10.533 8.089 1.853 1.00 0.00 C ATOM 406 OD1 ASN C 27 11.552 8.771 1.902 1.00 0.00 O ATOM 407 ND2 ASN C 27 9.470 8.508 1.190 1.00 0.00 N ATOM 0 H ASN C 27 9.081 4.650 2.479 1.00 0.00 H new ATOM 0 HA ASN C 27 10.605 5.960 0.520 1.00 0.00 H new ATOM 0 HB2 ASN C 27 9.442 6.605 2.950 1.00 0.00 H new ATOM 0 HB3 ASN C 27 11.150 6.671 3.338 1.00 0.00 H new ATOM 0 HD21 ASN C 27 9.490 9.408 0.711 1.00 0.00 H new ATOM 0 HD22 ASN C 27 8.629 7.931 1.157 1.00 0.00 H new ATOM 414 N VAL C 28 12.288 3.938 2.485 1.00 0.00 N ATOM 415 CA VAL C 28 13.576 3.314 2.759 1.00 0.00 C ATOM 416 C VAL C 28 13.867 2.163 1.783 1.00 0.00 C ATOM 417 O VAL C 28 14.982 2.111 1.261 1.00 0.00 O ATOM 418 CB VAL C 28 13.622 2.797 4.218 1.00 0.00 C ATOM 419 CG1 VAL C 28 15.069 2.530 4.656 1.00 0.00 C ATOM 420 CG2 VAL C 28 12.969 3.736 5.241 1.00 0.00 C ATOM 0 H VAL C 28 11.508 3.460 2.936 1.00 0.00 H new ATOM 0 HA VAL C 28 14.346 4.073 2.621 1.00 0.00 H new ATOM 0 HB VAL C 28 13.040 1.875 4.206 1.00 0.00 H new ATOM 0 HG11 VAL C 28 15.077 2.168 5.684 1.00 0.00 H new ATOM 0 HG12 VAL C 28 15.514 1.779 4.003 1.00 0.00 H new ATOM 0 HG13 VAL C 28 15.645 3.453 4.592 1.00 0.00 H new ATOM 0 HG21 VAL C 28 13.045 3.299 6.237 1.00 0.00 H new ATOM 0 HG22 VAL C 28 13.479 4.699 5.228 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.919 3.878 4.986 1.00 0.00 H new ATOM 430 N VAL C 29 12.864 1.374 1.356 1.00 0.00 N ATOM 431 CA VAL C 29 13.092 0.232 0.455 1.00 0.00 C ATOM 432 C VAL C 29 13.833 0.603 -0.837 1.00 0.00 C ATOM 433 O VAL C 29 14.791 -0.079 -1.208 1.00 0.00 O ATOM 434 CB VAL C 29 11.835 -0.646 0.261 1.00 0.00 C ATOM 435 CG1 VAL C 29 11.082 -0.894 1.563 1.00 0.00 C ATOM 436 CG2 VAL C 29 10.819 -0.205 -0.779 1.00 0.00 C ATOM 0 H VAL C 29 11.888 1.507 1.621 1.00 0.00 H new ATOM 0 HA VAL C 29 13.797 -0.420 0.971 1.00 0.00 H new ATOM 0 HB VAL C 29 12.292 -1.557 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL C 29 10.209 -1.516 1.366 1.00 0.00 H new ATOM 0 HG12 VAL C 29 11.737 -1.402 2.271 1.00 0.00 H new ATOM 0 HG13 VAL C 29 10.761 0.058 1.985 1.00 0.00 H new ATOM 0 HG21 VAL C 29 9.993 -0.915 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL C 29 10.440 0.784 -0.521 1.00 0.00 H new ATOM 0 HG23 VAL C 29 11.295 -0.167 -1.759 1.00 0.00 H new ATOM 446 N THR C 30 13.533 1.766 -1.418 1.00 0.00 N ATOM 447 CA THR C 30 14.197 2.256 -2.633 1.00 0.00 C ATOM 448 C THR C 30 14.935 3.566 -2.392 1.00 0.00 C ATOM 449 O THR C 30 15.519 4.113 -3.326 1.00 0.00 O ATOM 450 CB THR C 30 13.222 2.380 -3.808 1.00 0.00 C ATOM 451 OG1 THR C 30 12.246 3.372 -3.535 1.00 0.00 O ATOM 452 CG2 THR C 30 12.582 1.034 -4.128 1.00 0.00 C ATOM 0 H THR C 30 12.819 2.400 -1.059 1.00 0.00 H new ATOM 0 HA THR C 30 14.942 1.507 -2.902 1.00 0.00 H new ATOM 0 HB THR C 30 13.778 2.692 -4.692 1.00 0.00 H new ATOM 0 HG1 THR C 30 11.731 3.556 -4.348 1.00 0.00 H new ATOM 0 HG21 THR C 30 11.894 1.148 -4.966 1.00 0.00 H new ATOM 0 HG22 THR C 30 13.358 0.315 -4.391 1.00 0.00 H new ATOM 0 HG23 THR C 30 12.036 0.674 -3.256 1.00 0.00 H new ATOM 460 N ARG C 31 15.001 4.027 -1.139 1.00 0.00 N ATOM 461 CA ARG C 31 15.628 5.289 -0.772 1.00 0.00 C ATOM 462 C ARG C 31 14.974 6.413 -1.585 1.00 0.00 C ATOM 463 O ARG C 31 15.650 7.242 -2.193 1.00 0.00 O ATOM 464 CB ARG C 31 17.159 5.240 -0.869 1.00 0.00 C ATOM 465 CG ARG C 31 17.714 6.359 0.019 1.00 0.00 C ATOM 466 CD ARG C 31 19.162 6.687 -0.301 1.00 0.00 C ATOM 467 NE ARG C 31 19.608 7.815 0.528 1.00 0.00 N ATOM 468 CZ ARG C 31 20.836 8.322 0.553 1.00 0.00 C ATOM 469 NH1 ARG C 31 21.769 7.816 -0.244 1.00 0.00 N ATOM 470 NH2 ARG C 31 21.132 9.244 1.453 1.00 0.00 N ATOM 0 H ARG C 31 14.612 3.522 -0.343 1.00 0.00 H new ATOM 0 HA ARG C 31 15.453 5.496 0.284 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.533 4.270 -0.542 1.00 0.00 H new ATOM 0 HB3 ARG C 31 17.482 5.374 -1.901 1.00 0.00 H new ATOM 0 HG2 ARG C 31 17.105 7.254 -0.106 1.00 0.00 H new ATOM 0 HG3 ARG C 31 17.634 6.063 1.065 1.00 0.00 H new ATOM 0 HD2 ARG C 31 19.792 5.816 -0.117 1.00 0.00 H new ATOM 0 HD3 ARG C 31 19.264 6.937 -1.357 1.00 0.00 H new ATOM 0 HE ARG C 31 18.914 8.247 1.138 1.00 0.00 H new ATOM 0 HH11 ARG C 31 21.541 7.043 -0.870 1.00 0.00 H new ATOM 0 HH12 ARG C 31 22.714 8.200 -0.231 1.00 0.00 H new ATOM 0 HH21 ARG C 31 20.422 9.556 2.115 1.00 0.00 H new ATOM 0 HH22 ARG C 31 22.070 9.643 1.485 1.00 0.00 H new ATOM 484 N HIS C 32 13.639 6.397 -1.605 1.00 0.00 N ATOM 485 CA HIS C 32 12.787 7.357 -2.297 1.00 0.00 C ATOM 486 C HIS C 32 13.176 7.455 -3.778 1.00 0.00 C ATOM 487 O HIS C 32 13.464 8.535 -4.292 1.00 0.00 O ATOM 488 CB HIS C 32 12.813 8.687 -1.516 1.00 0.00 C ATOM 489 CG HIS C 32 11.981 9.832 -2.046 1.00 0.00 C ATOM 490 ND1 HIS C 32 10.997 9.799 -3.010 1.00 0.00 N ATOM 491 CD2 HIS C 32 12.133 11.138 -1.674 1.00 0.00 C ATOM 492 CE1 HIS C 32 10.553 11.050 -3.195 1.00 0.00 C ATOM 493 NE2 HIS C 32 11.218 11.910 -2.403 1.00 0.00 N ATOM 0 H HIS C 32 13.102 5.681 -1.116 1.00 0.00 H new ATOM 0 HA HIS C 32 11.747 7.031 -2.316 1.00 0.00 H new ATOM 0 HB2 HIS C 32 12.490 8.482 -0.495 1.00 0.00 H new ATOM 0 HB3 HIS C 32 13.849 9.023 -1.461 1.00 0.00 H new ATOM 0 HD1 HIS C 32 10.664 8.967 -3.498 1.00 0.00 H new ATOM 0 HD2 HIS C 32 12.837 11.511 -0.944 1.00 0.00 H new ATOM 0 HE1 HIS C 32 9.770 11.329 -3.884 1.00 0.00 H new ATOM 501 N ARG C 33 13.235 6.310 -4.473 1.00 0.00 N ATOM 502 CA ARG C 33 13.573 6.321 -5.895 1.00 0.00 C ATOM 503 C ARG C 33 12.413 6.925 -6.693 1.00 0.00 C ATOM 504 O ARG C 33 12.653 7.727 -7.598 1.00 0.00 O ATOM 505 CB ARG C 33 13.933 4.902 -6.345 1.00 0.00 C ATOM 506 CG ARG C 33 14.388 4.804 -7.806 1.00 0.00 C ATOM 507 CD ARG C 33 14.800 3.357 -8.086 1.00 0.00 C ATOM 508 NE ARG C 33 15.114 3.145 -9.503 1.00 0.00 N ATOM 509 CZ ARG C 33 15.181 1.960 -10.117 1.00 0.00 C ATOM 510 NH1 ARG C 33 15.017 0.841 -9.423 1.00 0.00 N ATOM 511 NH2 ARG C 33 15.352 1.935 -11.436 1.00 0.00 N ATOM 0 H ARG C 33 13.057 5.386 -4.080 1.00 0.00 H new ATOM 0 HA ARG C 33 14.446 6.947 -6.078 1.00 0.00 H new ATOM 0 HB2 ARG C 33 14.726 4.519 -5.703 1.00 0.00 H new ATOM 0 HB3 ARG C 33 13.067 4.256 -6.202 1.00 0.00 H new ATOM 0 HG2 ARG C 33 13.582 5.106 -8.475 1.00 0.00 H new ATOM 0 HG3 ARG C 33 15.224 5.479 -7.989 1.00 0.00 H new ATOM 0 HD2 ARG C 33 15.669 3.102 -7.479 1.00 0.00 H new ATOM 0 HD3 ARG C 33 13.995 2.686 -7.788 1.00 0.00 H new ATOM 0 HE ARG C 33 15.297 3.974 -10.069 1.00 0.00 H new ATOM 0 HH11 ARG C 33 14.840 0.885 -8.420 1.00 0.00 H new ATOM 0 HH12 ARG C 33 15.068 -0.063 -9.893 1.00 0.00 H new ATOM 0 HH21 ARG C 33 15.429 2.809 -11.957 1.00 0.00 H new ATOM 0 HH22 ARG C 33 15.406 1.042 -11.926 1.00 0.00 H new ATOM 525 N TYR C 34 11.188 6.506 -6.376 1.00 0.00 N ATOM 526 CA TYR C 34 9.930 6.936 -6.982 1.00 0.00 C ATOM 527 C TYR C 34 9.471 8.269 -6.386 1.00 0.00 C ATOM 528 O TYR C 34 9.926 8.667 -5.316 1.00 0.00 O ATOM 529 CB TYR C 34 8.862 5.849 -6.760 1.00 0.00 C ATOM 530 CG TYR C 34 8.319 5.741 -5.340 1.00 0.00 C ATOM 531 CD1 TYR C 34 9.104 5.182 -4.311 1.00 0.00 C ATOM 532 CD2 TYR C 34 7.023 6.211 -5.045 1.00 0.00 C ATOM 533 CE1 TYR C 34 8.612 5.131 -2.995 1.00 0.00 C ATOM 534 CE2 TYR C 34 6.516 6.133 -3.733 1.00 0.00 C ATOM 535 CZ TYR C 34 7.310 5.585 -2.703 1.00 0.00 C ATOM 536 OH TYR C 34 6.836 5.486 -1.433 1.00 0.00 O ATOM 0 H TYR C 34 11.040 5.813 -5.642 1.00 0.00 H new ATOM 0 HA TYR C 34 10.079 7.082 -8.052 1.00 0.00 H new ATOM 0 HB2 TYR C 34 8.028 6.041 -7.435 1.00 0.00 H new ATOM 0 HB3 TYR C 34 9.286 4.885 -7.042 1.00 0.00 H new ATOM 0 HD1 TYR C 34 10.086 4.792 -4.534 1.00 0.00 H new ATOM 0 HD2 TYR C 34 6.414 6.634 -5.831 1.00 0.00 H new ATOM 0 HE1 TYR C 34 9.235 4.742 -2.203 1.00 0.00 H new ATOM 0 HE2 TYR C 34 5.521 6.492 -3.516 1.00 0.00 H new ATOM 0 HH TYR C 34 5.924 5.843 -1.395 1.00 0.00 H new ATOM 670 N PRO D 11 6.808 -8.134 -7.563 1.00 0.00 N ATOM 671 CA PRO D 11 8.066 -7.523 -7.145 1.00 0.00 C ATOM 672 C PRO D 11 7.797 -6.158 -6.506 1.00 0.00 C ATOM 673 O PRO D 11 6.722 -5.572 -6.681 1.00 0.00 O ATOM 674 CB PRO D 11 8.911 -7.421 -8.417 1.00 0.00 C ATOM 675 CG PRO D 11 7.869 -7.284 -9.523 1.00 0.00 C ATOM 676 CD PRO D 11 6.699 -8.123 -9.016 1.00 0.00 C ATOM 0 HA PRO D 11 8.591 -8.106 -6.388 1.00 0.00 H new ATOM 0 HB2 PRO D 11 9.581 -6.561 -8.387 1.00 0.00 H new ATOM 0 HB3 PRO D 11 9.533 -8.305 -8.558 1.00 0.00 H new ATOM 0 HG2 PRO D 11 7.581 -6.244 -9.676 1.00 0.00 H new ATOM 0 HG3 PRO D 11 8.245 -7.654 -10.477 1.00 0.00 H new ATOM 0 HD2 PRO D 11 5.747 -7.696 -9.332 1.00 0.00 H new ATOM 0 HD3 PRO D 11 6.743 -9.135 -9.418 1.00 0.00 H new ATOM 684 N VAL D 12 8.752 -5.643 -5.734 1.00 0.00 N ATOM 685 CA VAL D 12 8.595 -4.355 -5.069 1.00 0.00 C ATOM 686 C VAL D 12 8.563 -3.244 -6.122 1.00 0.00 C ATOM 687 O VAL D 12 7.734 -2.345 -6.020 1.00 0.00 O ATOM 688 CB VAL D 12 9.674 -4.142 -3.985 1.00 0.00 C ATOM 689 CG1 VAL D 12 9.214 -3.055 -3.000 1.00 0.00 C ATOM 690 CG2 VAL D 12 9.962 -5.415 -3.167 1.00 0.00 C ATOM 0 H VAL D 12 9.645 -6.102 -5.554 1.00 0.00 H new ATOM 0 HA VAL D 12 7.645 -4.331 -4.535 1.00 0.00 H new ATOM 0 HB VAL D 12 10.584 -3.853 -4.512 1.00 0.00 H new ATOM 0 HG11 VAL D 12 9.979 -2.908 -2.237 1.00 0.00 H new ATOM 0 HG12 VAL D 12 9.054 -2.121 -3.538 1.00 0.00 H new ATOM 0 HG13 VAL D 12 8.283 -3.364 -2.526 1.00 0.00 H new ATOM 0 HG21 VAL D 12 10.728 -5.203 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL D 12 9.050 -5.740 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL D 12 10.312 -6.204 -3.833 1.00 0.00 H new ATOM 700 N GLU D 13 9.348 -3.374 -7.198 1.00 0.00 N ATOM 701 CA GLU D 13 9.413 -2.399 -8.285 1.00 0.00 C ATOM 702 C GLU D 13 8.021 -2.139 -8.872 1.00 0.00 C ATOM 703 O GLU D 13 7.643 -0.990 -9.106 1.00 0.00 O ATOM 704 CB GLU D 13 10.391 -2.924 -9.352 1.00 0.00 C ATOM 705 CG GLU D 13 10.387 -2.124 -10.663 1.00 0.00 C ATOM 706 CD GLU D 13 11.341 -2.722 -11.695 1.00 0.00 C ATOM 707 OE1 GLU D 13 10.909 -3.601 -12.483 1.00 0.00 O ATOM 708 OE2 GLU D 13 12.424 -2.132 -11.915 1.00 0.00 O ATOM 0 H GLU D 13 9.965 -4.174 -7.337 1.00 0.00 H new ATOM 0 HA GLU D 13 9.775 -1.443 -7.906 1.00 0.00 H new ATOM 0 HB2 GLU D 13 11.400 -2.916 -8.939 1.00 0.00 H new ATOM 0 HB3 GLU D 13 10.145 -3.963 -9.573 1.00 0.00 H new ATOM 0 HG2 GLU D 13 9.377 -2.101 -11.072 1.00 0.00 H new ATOM 0 HG3 GLU D 13 10.672 -1.092 -10.460 1.00 0.00 H new ATOM 715 N ASP D 14 7.272 -3.201 -9.173 1.00 0.00 N ATOM 716 CA ASP D 14 5.937 -3.058 -9.747 1.00 0.00 C ATOM 717 C ASP D 14 4.933 -2.572 -8.706 1.00 0.00 C ATOM 718 O ASP D 14 4.147 -1.661 -8.977 1.00 0.00 O ATOM 719 CB ASP D 14 5.479 -4.366 -10.387 1.00 0.00 C ATOM 720 CG ASP D 14 4.199 -4.117 -11.173 1.00 0.00 C ATOM 721 OD1 ASP D 14 4.287 -3.644 -12.328 1.00 0.00 O ATOM 722 OD2 ASP D 14 3.102 -4.448 -10.677 1.00 0.00 O ATOM 0 H ASP D 14 7.568 -4.166 -9.029 1.00 0.00 H new ATOM 0 HA ASP D 14 5.989 -2.300 -10.529 1.00 0.00 H new ATOM 0 HB2 ASP D 14 6.255 -4.754 -11.047 1.00 0.00 H new ATOM 0 HB3 ASP D 14 5.308 -5.120 -9.619 1.00 0.00 H new ATOM 727 N LEU D 15 5.022 -3.111 -7.484 1.00 0.00 N ATOM 728 CA LEU D 15 4.143 -2.743 -6.382 1.00 0.00 C ATOM 729 C LEU D 15 4.255 -1.250 -6.083 1.00 0.00 C ATOM 730 O LEU D 15 3.242 -0.652 -5.747 1.00 0.00 O ATOM 731 CB LEU D 15 4.474 -3.576 -5.136 1.00 0.00 C ATOM 732 CG LEU D 15 3.388 -3.456 -4.047 1.00 0.00 C ATOM 733 CD1 LEU D 15 2.245 -4.449 -4.282 1.00 0.00 C ATOM 734 CD2 LEU D 15 3.972 -3.721 -2.665 1.00 0.00 C ATOM 0 H LEU D 15 5.713 -3.819 -7.237 1.00 0.00 H new ATOM 0 HA LEU D 15 3.114 -2.954 -6.672 1.00 0.00 H new ATOM 0 HB2 LEU D 15 4.586 -4.622 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU D 15 5.432 -3.252 -4.729 1.00 0.00 H new ATOM 0 HG LEU D 15 3.002 -2.438 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU D 15 1.498 -4.337 -3.496 1.00 0.00 H new ATOM 0 HD12 LEU D 15 1.785 -4.252 -5.250 1.00 0.00 H new ATOM 0 HD13 LEU D 15 2.637 -5.466 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU D 15 3.187 -3.630 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU D 15 4.390 -4.727 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU D 15 4.758 -2.995 -2.457 1.00 0.00 H new ATOM 746 N ILE D 16 5.423 -0.624 -6.252 1.00 0.00 N ATOM 747 CA ILE D 16 5.625 0.803 -6.005 1.00 0.00 C ATOM 748 C ILE D 16 4.786 1.632 -6.985 1.00 0.00 C ATOM 749 O ILE D 16 4.229 2.661 -6.586 1.00 0.00 O ATOM 750 CB ILE D 16 7.134 1.130 -6.077 1.00 0.00 C ATOM 751 CG1 ILE D 16 7.836 0.600 -4.810 1.00 0.00 C ATOM 752 CG2 ILE D 16 7.413 2.639 -6.188 1.00 0.00 C ATOM 753 CD1 ILE D 16 9.338 0.397 -5.019 1.00 0.00 C ATOM 0 H ILE D 16 6.266 -1.103 -6.569 1.00 0.00 H new ATOM 0 HA ILE D 16 5.284 1.065 -5.003 1.00 0.00 H new ATOM 0 HB ILE D 16 7.518 0.649 -6.977 1.00 0.00 H new ATOM 0 HG12 ILE D 16 7.677 1.300 -3.990 1.00 0.00 H new ATOM 0 HG13 ILE D 16 7.382 -0.346 -4.514 1.00 0.00 H new ATOM 0 HG21 ILE D 16 8.489 2.808 -6.235 1.00 0.00 H new ATOM 0 HG22 ILE D 16 6.945 3.030 -7.091 1.00 0.00 H new ATOM 0 HG23 ILE D 16 7.003 3.150 -5.317 1.00 0.00 H new ATOM 0 HD11 ILE D 16 9.786 0.023 -4.098 1.00 0.00 H new ATOM 0 HD12 ILE D 16 9.500 -0.324 -5.820 1.00 0.00 H new ATOM 0 HD13 ILE D 16 9.800 1.347 -5.287 1.00 0.00 H new ATOM 765 N ARG D 17 4.741 1.267 -8.269 1.00 0.00 N ATOM 766 CA ARG D 17 3.948 2.011 -9.250 1.00 0.00 C ATOM 767 C ARG D 17 2.481 1.851 -8.910 1.00 0.00 C ATOM 768 O ARG D 17 1.774 2.851 -8.769 1.00 0.00 O ATOM 769 CB ARG D 17 4.276 1.527 -10.674 1.00 0.00 C ATOM 770 CG ARG D 17 3.938 2.551 -11.761 1.00 0.00 C ATOM 771 CD ARG D 17 5.061 3.577 -11.922 1.00 0.00 C ATOM 772 NE ARG D 17 4.699 4.567 -12.939 1.00 0.00 N ATOM 773 CZ ARG D 17 5.343 4.853 -14.077 1.00 0.00 C ATOM 774 NH1 ARG D 17 6.523 4.324 -14.363 1.00 0.00 N ATOM 775 NH2 ARG D 17 4.788 5.688 -14.944 1.00 0.00 N ATOM 0 H ARG D 17 5.242 0.465 -8.652 1.00 0.00 H new ATOM 0 HA ARG D 17 4.193 3.073 -9.215 1.00 0.00 H new ATOM 0 HB2 ARG D 17 5.337 1.285 -10.731 1.00 0.00 H new ATOM 0 HB3 ARG D 17 3.728 0.606 -10.871 1.00 0.00 H new ATOM 0 HG2 ARG D 17 3.772 2.038 -12.708 1.00 0.00 H new ATOM 0 HG3 ARG D 17 3.009 3.061 -11.507 1.00 0.00 H new ATOM 0 HD2 ARG D 17 5.248 4.074 -10.970 1.00 0.00 H new ATOM 0 HD3 ARG D 17 5.985 3.074 -12.206 1.00 0.00 H new ATOM 0 HE ARG D 17 3.852 5.105 -12.758 1.00 0.00 H new ATOM 0 HH11 ARG D 17 6.965 3.679 -13.708 1.00 0.00 H new ATOM 0 HH12 ARG D 17 6.989 4.561 -15.239 1.00 0.00 H new ATOM 0 HH21 ARG D 17 3.880 6.105 -14.741 1.00 0.00 H new ATOM 0 HH22 ARG D 17 5.269 5.914 -15.815 1.00 0.00 H new ATOM 789 N PHE D 18 2.083 0.610 -8.661 1.00 0.00 N ATOM 790 CA PHE D 18 0.730 0.255 -8.304 1.00 0.00 C ATOM 791 C PHE D 18 0.322 0.884 -6.965 1.00 0.00 C ATOM 792 O PHE D 18 -0.833 1.249 -6.825 1.00 0.00 O ATOM 793 CB PHE D 18 0.643 -1.272 -8.319 1.00 0.00 C ATOM 794 CG PHE D 18 -0.477 -1.857 -7.505 1.00 0.00 C ATOM 795 CD1 PHE D 18 -1.806 -1.790 -7.960 1.00 0.00 C ATOM 796 CD2 PHE D 18 -0.176 -2.456 -6.273 1.00 0.00 C ATOM 797 CE1 PHE D 18 -2.833 -2.325 -7.169 1.00 0.00 C ATOM 798 CE2 PHE D 18 -1.199 -2.999 -5.487 1.00 0.00 C ATOM 799 CZ PHE D 18 -2.526 -2.928 -5.939 1.00 0.00 C ATOM 0 H PHE D 18 2.713 -0.191 -8.705 1.00 0.00 H new ATOM 0 HA PHE D 18 0.013 0.654 -9.022 1.00 0.00 H new ATOM 0 HB2 PHE D 18 0.532 -1.604 -9.351 1.00 0.00 H new ATOM 0 HB3 PHE D 18 1.587 -1.677 -7.954 1.00 0.00 H new ATOM 0 HD1 PHE D 18 -2.034 -1.330 -8.910 1.00 0.00 H new ATOM 0 HD2 PHE D 18 0.847 -2.498 -5.930 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -3.858 -2.273 -7.505 1.00 0.00 H new ATOM 0 HE2 PHE D 18 -0.969 -3.468 -4.542 1.00 0.00 H new ATOM 0 HZ PHE D 18 -3.319 -3.342 -5.334 1.00 0.00 H new ATOM 809 N TYR D 19 1.238 1.130 -6.022 1.00 0.00 N ATOM 810 CA TYR D 19 0.959 1.735 -4.717 1.00 0.00 C ATOM 811 C TYR D 19 0.489 3.175 -4.894 1.00 0.00 C ATOM 812 O TYR D 19 -0.437 3.619 -4.219 1.00 0.00 O ATOM 813 CB TYR D 19 2.219 1.687 -3.839 1.00 0.00 C ATOM 814 CG TYR D 19 2.074 2.244 -2.437 1.00 0.00 C ATOM 815 CD1 TYR D 19 2.267 3.620 -2.197 1.00 0.00 C ATOM 816 CD2 TYR D 19 1.850 1.369 -1.356 1.00 0.00 C ATOM 817 CE1 TYR D 19 2.275 4.117 -0.883 1.00 0.00 C ATOM 818 CE2 TYR D 19 1.871 1.857 -0.039 1.00 0.00 C ATOM 819 CZ TYR D 19 2.102 3.227 0.197 1.00 0.00 C ATOM 820 OH TYR D 19 2.211 3.678 1.470 1.00 0.00 O ATOM 0 H TYR D 19 2.225 0.906 -6.151 1.00 0.00 H new ATOM 0 HA TYR D 19 0.166 1.171 -4.226 1.00 0.00 H new ATOM 0 HB2 TYR D 19 2.546 0.650 -3.764 1.00 0.00 H new ATOM 0 HB3 TYR D 19 3.012 2.236 -4.346 1.00 0.00 H new ATOM 0 HD1 TYR D 19 2.409 4.295 -3.028 1.00 0.00 H new ATOM 0 HD2 TYR D 19 1.662 0.322 -1.540 1.00 0.00 H new ATOM 0 HE1 TYR D 19 2.413 5.173 -0.701 1.00 0.00 H new ATOM 0 HE2 TYR D 19 1.711 1.184 0.790 1.00 0.00 H new ATOM 0 HH TYR D 19 1.379 3.494 1.954 1.00 0.00 H new ATOM 830 N ASN D 20 1.128 3.911 -5.807 1.00 0.00 N ATOM 831 CA ASN D 20 0.752 5.295 -6.067 1.00 0.00 C ATOM 832 C ASN D 20 -0.652 5.338 -6.647 1.00 0.00 C ATOM 833 O ASN D 20 -1.374 6.302 -6.415 1.00 0.00 O ATOM 834 CB ASN D 20 1.768 5.963 -7.010 1.00 0.00 C ATOM 835 CG ASN D 20 2.227 7.302 -6.465 1.00 0.00 C ATOM 836 OD1 ASN D 20 2.104 8.339 -7.111 1.00 0.00 O ATOM 837 ND2 ASN D 20 2.924 7.283 -5.343 1.00 0.00 N ATOM 0 H ASN D 20 1.904 3.570 -6.374 1.00 0.00 H new ATOM 0 HA ASN D 20 0.758 5.854 -5.131 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.629 5.308 -7.144 1.00 0.00 H new ATOM 0 HB3 ASN D 20 1.318 6.103 -7.993 1.00 0.00 H new ATOM 0 HD21 ASN D 20 3.368 8.136 -5.004 1.00 0.00 H new ATOM 0 HD22 ASN D 20 3.018 6.415 -4.816 1.00 0.00 H new ATOM 844 N ASP D 21 -1.039 4.303 -7.394 1.00 0.00 N ATOM 845 CA ASP D 21 -2.380 4.206 -7.973 1.00 0.00 C ATOM 846 C ASP D 21 -3.403 3.713 -6.933 1.00 0.00 C ATOM 847 O ASP D 21 -4.506 4.253 -6.832 1.00 0.00 O ATOM 848 CB ASP D 21 -2.359 3.240 -9.154 1.00 0.00 C ATOM 849 CG ASP D 21 -3.763 3.110 -9.726 1.00 0.00 C ATOM 850 OD1 ASP D 21 -4.077 3.862 -10.673 1.00 0.00 O ATOM 851 OD2 ASP D 21 -4.491 2.163 -9.349 1.00 0.00 O ATOM 0 H ASP D 21 -0.435 3.511 -7.614 1.00 0.00 H new ATOM 0 HA ASP D 21 -2.678 5.200 -8.306 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -1.674 3.601 -9.921 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -1.993 2.264 -8.834 1.00 0.00 H new ATOM 856 N LEU D 22 -2.990 2.769 -6.076 1.00 0.00 N ATOM 857 CA LEU D 22 -3.743 2.116 -5.007 1.00 0.00 C ATOM 858 C LEU D 22 -4.413 3.120 -4.084 1.00 0.00 C ATOM 859 O LEU D 22 -5.490 2.828 -3.565 1.00 0.00 O ATOM 860 CB LEU D 22 -2.796 1.178 -4.234 1.00 0.00 C ATOM 861 CG LEU D 22 -3.421 0.407 -3.062 1.00 0.00 C ATOM 862 CD1 LEU D 22 -4.519 -0.543 -3.535 1.00 0.00 C ATOM 863 CD2 LEU D 22 -2.343 -0.414 -2.348 1.00 0.00 C ATOM 0 H LEU D 22 -2.035 2.415 -6.121 1.00 0.00 H new ATOM 0 HA LEU D 22 -4.550 1.532 -5.449 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -2.379 0.456 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -1.964 1.769 -3.852 1.00 0.00 H new ATOM 0 HG LEU D 22 -3.859 1.140 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -4.937 -1.071 -2.678 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -5.305 0.027 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -4.099 -1.265 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -2.791 -0.959 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -1.900 -1.121 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -1.569 0.253 -1.968 1.00 0.00 H new ATOM 875 N GLN D 23 -3.854 4.327 -3.958 1.00 0.00 N ATOM 876 CA GLN D 23 -4.413 5.377 -3.125 1.00 0.00 C ATOM 877 C GLN D 23 -5.875 5.658 -3.483 1.00 0.00 C ATOM 878 O GLN D 23 -6.641 6.112 -2.631 1.00 0.00 O ATOM 879 CB GLN D 23 -3.573 6.659 -3.251 1.00 0.00 C ATOM 880 CG GLN D 23 -3.777 7.489 -4.528 1.00 0.00 C ATOM 881 CD GLN D 23 -2.995 8.797 -4.453 1.00 0.00 C ATOM 882 OE1 GLN D 23 -1.902 8.929 -5.001 1.00 0.00 O ATOM 883 NE2 GLN D 23 -3.510 9.773 -3.724 1.00 0.00 N ATOM 0 H GLN D 23 -2.995 4.597 -4.437 1.00 0.00 H new ATOM 0 HA GLN D 23 -4.385 5.035 -2.090 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -3.790 7.295 -2.393 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -2.520 6.385 -3.187 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -3.453 6.915 -5.396 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -4.837 7.701 -4.664 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -4.418 9.650 -3.275 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -3.000 10.649 -3.611 1.00 0.00 H new ATOM 892 N GLN D 24 -6.230 5.497 -4.759 1.00 0.00 N ATOM 893 CA GLN D 24 -7.565 5.725 -5.276 1.00 0.00 C ATOM 894 C GLN D 24 -8.459 4.523 -4.984 1.00 0.00 C ATOM 895 O GLN D 24 -9.545 4.708 -4.444 1.00 0.00 O ATOM 896 CB GLN D 24 -7.463 6.039 -6.771 1.00 0.00 C ATOM 897 CG GLN D 24 -8.782 6.588 -7.322 1.00 0.00 C ATOM 898 CD GLN D 24 -8.575 7.194 -8.705 1.00 0.00 C ATOM 899 OE1 GLN D 24 -7.661 7.993 -8.905 1.00 0.00 O ATOM 900 NE2 GLN D 24 -9.481 6.950 -9.629 1.00 0.00 N ATOM 0 H GLN D 24 -5.571 5.195 -5.476 1.00 0.00 H new ATOM 0 HA GLN D 24 -8.029 6.579 -4.782 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -6.668 6.766 -6.937 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -7.188 5.136 -7.315 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -9.521 5.788 -7.376 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -9.179 7.343 -6.644 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -10.231 6.284 -9.444 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -9.432 7.427 -10.529 1.00 0.00 H new ATOM 909 N TYR D 25 -8.000 3.299 -5.257 1.00 0.00 N ATOM 910 CA TYR D 25 -8.777 2.087 -5.004 1.00 0.00 C ATOM 911 C TYR D 25 -9.169 1.998 -3.527 1.00 0.00 C ATOM 912 O TYR D 25 -10.347 1.825 -3.213 1.00 0.00 O ATOM 913 CB TYR D 25 -7.966 0.863 -5.439 1.00 0.00 C ATOM 914 CG TYR D 25 -8.589 -0.505 -5.182 1.00 0.00 C ATOM 915 CD1 TYR D 25 -9.989 -0.695 -5.155 1.00 0.00 C ATOM 916 CD2 TYR D 25 -7.743 -1.624 -5.065 1.00 0.00 C ATOM 917 CE1 TYR D 25 -10.529 -1.987 -5.027 1.00 0.00 C ATOM 918 CE2 TYR D 25 -8.278 -2.917 -4.932 1.00 0.00 C ATOM 919 CZ TYR D 25 -9.677 -3.106 -4.932 1.00 0.00 C ATOM 920 OH TYR D 25 -10.188 -4.363 -4.869 1.00 0.00 O ATOM 0 H TYR D 25 -7.080 3.122 -5.659 1.00 0.00 H new ATOM 0 HA TYR D 25 -9.699 2.119 -5.585 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -7.767 0.950 -6.507 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -7.002 0.897 -4.932 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -10.648 0.157 -5.233 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -6.672 -1.488 -5.078 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -11.600 -2.122 -5.001 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -7.619 -3.766 -4.830 1.00 0.00 H new ATOM 0 HH TYR D 25 -9.456 -5.011 -4.808 1.00 0.00 H new ATOM 930 N LEU D 26 -8.210 2.222 -2.622 1.00 0.00 N ATOM 931 CA LEU D 26 -8.395 2.193 -1.167 1.00 0.00 C ATOM 932 C LEU D 26 -9.464 3.208 -0.737 1.00 0.00 C ATOM 933 O LEU D 26 -10.069 3.074 0.324 1.00 0.00 O ATOM 934 CB LEU D 26 -7.041 2.512 -0.500 1.00 0.00 C ATOM 935 CG LEU D 26 -6.664 1.595 0.672 1.00 0.00 C ATOM 936 CD1 LEU D 26 -5.287 2.012 1.195 1.00 0.00 C ATOM 937 CD2 LEU D 26 -7.628 1.658 1.852 1.00 0.00 C ATOM 0 H LEU D 26 -7.250 2.436 -2.892 1.00 0.00 H new ATOM 0 HA LEU D 26 -8.737 1.206 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.258 2.452 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -7.062 3.542 -0.144 1.00 0.00 H new ATOM 0 HG LEU D 26 -6.688 0.578 0.279 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -5.005 1.369 2.029 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -4.550 1.916 0.397 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -5.324 3.048 1.532 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -7.289 0.981 2.636 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -7.661 2.676 2.241 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -8.625 1.363 1.524 1.00 0.00 H new ATOM 949 N ASN D 27 -9.681 4.262 -1.528 1.00 0.00 N ATOM 950 CA ASN D 27 -10.690 5.269 -1.241 1.00 0.00 C ATOM 951 C ASN D 27 -12.056 4.587 -1.340 1.00 0.00 C ATOM 952 O ASN D 27 -12.837 4.614 -0.390 1.00 0.00 O ATOM 953 CB ASN D 27 -10.591 6.435 -2.239 1.00 0.00 C ATOM 954 CG ASN D 27 -11.125 7.728 -1.656 1.00 0.00 C ATOM 955 OD1 ASN D 27 -10.247 8.513 -1.060 1.00 0.00 O flip ATOM 956 ND2 ASN D 27 -12.283 8.093 -1.871 1.00 0.00 N flip ATOM 0 H ASN D 27 -9.158 4.436 -2.386 1.00 0.00 H new ATOM 0 HA ASN D 27 -10.543 5.685 -0.244 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -9.551 6.573 -2.534 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -11.148 6.187 -3.142 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -12.939 7.463 -2.334 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -12.585 9.025 -1.586 1.00 0.00 H new ATOM 963 N VAL D 28 -12.285 3.879 -2.450 1.00 0.00 N ATOM 964 CA VAL D 28 -13.510 3.161 -2.773 1.00 0.00 C ATOM 965 C VAL D 28 -13.786 1.976 -1.848 1.00 0.00 C ATOM 966 O VAL D 28 -14.931 1.835 -1.409 1.00 0.00 O ATOM 967 CB VAL D 28 -13.489 2.657 -4.238 1.00 0.00 C ATOM 968 CG1 VAL D 28 -14.930 2.428 -4.711 1.00 0.00 C ATOM 969 CG2 VAL D 28 -12.805 3.610 -5.227 1.00 0.00 C ATOM 0 H VAL D 28 -11.581 3.790 -3.182 1.00 0.00 H new ATOM 0 HA VAL D 28 -14.313 3.885 -2.632 1.00 0.00 H new ATOM 0 HB VAL D 28 -12.904 1.737 -4.229 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -14.923 2.073 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -15.408 1.684 -4.074 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -15.485 3.364 -4.654 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -12.835 3.179 -6.228 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -13.325 4.568 -5.228 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -11.768 3.761 -4.928 1.00 0.00 H new ATOM 979 N VAL D 29 -12.770 1.208 -1.423 1.00 0.00 N ATOM 980 CA VAL D 29 -12.986 0.039 -0.562 1.00 0.00 C ATOM 981 C VAL D 29 -13.790 0.357 0.701 1.00 0.00 C ATOM 982 O VAL D 29 -14.615 -0.455 1.126 1.00 0.00 O ATOM 983 CB VAL D 29 -11.675 -0.715 -0.267 1.00 0.00 C ATOM 984 CG1 VAL D 29 -10.861 -0.991 -1.532 1.00 0.00 C ATOM 985 CG2 VAL D 29 -10.787 -0.116 0.821 1.00 0.00 C ATOM 0 H VAL D 29 -11.793 1.377 -1.662 1.00 0.00 H new ATOM 0 HA VAL D 29 -13.614 -0.645 -1.133 1.00 0.00 H new ATOM 0 HB VAL D 29 -12.029 -1.660 0.145 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -9.948 -1.524 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -11.450 -1.599 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -10.604 -0.047 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -9.894 -0.730 0.941 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -10.496 0.895 0.537 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -11.336 -0.085 1.762 1.00 0.00 H new ATOM 995 N THR D 30 -13.649 1.579 1.219 1.00 0.00 N ATOM 996 CA THR D 30 -14.353 2.058 2.405 1.00 0.00 C ATOM 997 C THR D 30 -15.110 3.361 2.154 1.00 0.00 C ATOM 998 O THR D 30 -15.517 4.025 3.105 1.00 0.00 O ATOM 999 CB THR D 30 -13.400 2.102 3.610 1.00 0.00 C ATOM 1000 OG1 THR D 30 -12.243 2.882 3.355 1.00 0.00 O ATOM 1001 CG2 THR D 30 -12.977 0.687 4.007 1.00 0.00 C ATOM 0 H THR D 30 -13.026 2.278 0.814 1.00 0.00 H new ATOM 0 HA THR D 30 -15.137 1.343 2.654 1.00 0.00 H new ATOM 0 HB THR D 30 -13.948 2.571 4.427 1.00 0.00 H new ATOM 0 HG1 THR D 30 -11.668 2.883 4.148 1.00 0.00 H new ATOM 0 HG21 THR D 30 -12.302 0.735 4.862 1.00 0.00 H new ATOM 0 HG22 THR D 30 -13.859 0.105 4.273 1.00 0.00 H new ATOM 0 HG23 THR D 30 -12.468 0.211 3.169 1.00 0.00 H new ATOM 1009 N ARG D 31 -15.342 3.709 0.883 1.00 0.00 N ATOM 1010 CA ARG D 31 -16.029 4.912 0.422 1.00 0.00 C ATOM 1011 C ARG D 31 -15.639 6.120 1.279 1.00 0.00 C ATOM 1012 O ARG D 31 -16.474 6.803 1.873 1.00 0.00 O ATOM 1013 CB ARG D 31 -17.528 4.637 0.241 1.00 0.00 C ATOM 1014 CG ARG D 31 -18.237 5.759 -0.529 1.00 0.00 C ATOM 1015 CD ARG D 31 -19.743 5.490 -0.632 1.00 0.00 C ATOM 1016 NE ARG D 31 -20.451 6.664 -1.166 1.00 0.00 N ATOM 1017 CZ ARG D 31 -20.738 7.784 -0.491 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -20.502 7.872 0.814 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -21.244 8.835 -1.123 1.00 0.00 N ATOM 0 H ARG D 31 -15.036 3.122 0.107 1.00 0.00 H new ATOM 0 HA ARG D 31 -15.697 5.195 -0.577 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.661 3.695 -0.290 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -17.994 4.520 1.219 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -18.068 6.712 -0.027 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -17.810 5.845 -1.528 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -19.919 4.629 -1.277 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -20.139 5.238 0.351 1.00 0.00 H new ATOM 0 HE ARG D 31 -20.751 6.621 -2.140 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -20.097 7.080 1.314 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -20.726 8.731 1.316 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -21.416 8.792 -2.127 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -21.461 9.686 -0.604 1.00 0.00 H new ATOM 1033 N HIS D 32 -14.323 6.300 1.355 1.00 0.00 N ATOM 1034 CA HIS D 32 -13.573 7.337 2.049 1.00 0.00 C ATOM 1035 C HIS D 32 -13.879 7.505 3.543 1.00 0.00 C ATOM 1036 O HIS D 32 -13.655 8.580 4.090 1.00 0.00 O ATOM 1037 CB HIS D 32 -13.634 8.650 1.252 1.00 0.00 C ATOM 1038 CG HIS D 32 -12.387 9.508 1.316 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -11.241 9.262 2.045 1.00 0.00 N ATOM 1040 CD2 HIS D 32 -12.149 10.623 0.557 1.00 0.00 C ATOM 1041 CE1 HIS D 32 -10.328 10.187 1.721 1.00 0.00 C ATOM 1042 NE2 HIS D 32 -10.835 11.035 0.814 1.00 0.00 N ATOM 0 H HIS D 32 -13.692 5.654 0.881 1.00 0.00 H new ATOM 0 HA HIS D 32 -12.539 6.993 2.078 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -13.838 8.412 0.208 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -14.477 9.237 1.616 1.00 0.00 H new ATOM 0 HD1 HIS D 32 -11.111 8.505 2.716 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -12.847 11.098 -0.117 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -9.330 10.242 2.130 1.00 0.00 H new ATOM 1050 N ARG D 33 -14.235 6.427 4.251 1.00 0.00 N ATOM 1051 CA ARG D 33 -14.518 6.451 5.693 1.00 0.00 C ATOM 1052 C ARG D 33 -13.332 6.999 6.507 1.00 0.00 C ATOM 1053 O ARG D 33 -13.525 7.437 7.637 1.00 0.00 O ATOM 1054 CB ARG D 33 -14.895 5.019 6.114 1.00 0.00 C ATOM 1055 CG ARG D 33 -14.948 4.759 7.625 1.00 0.00 C ATOM 1056 CD ARG D 33 -15.489 3.351 7.888 1.00 0.00 C ATOM 1057 NE ARG D 33 -15.295 2.962 9.288 1.00 0.00 N ATOM 1058 CZ ARG D 33 -15.439 1.741 9.809 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -15.883 0.719 9.081 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -15.137 1.567 11.085 1.00 0.00 N ATOM 0 H ARG D 33 -14.336 5.501 3.835 1.00 0.00 H new ATOM 0 HA ARG D 33 -15.345 7.131 5.899 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -15.870 4.780 5.689 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -14.177 4.329 5.671 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -13.953 4.863 8.057 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -15.584 5.500 8.109 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -16.550 3.314 7.641 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -14.985 2.637 7.236 1.00 0.00 H new ATOM 0 HE ARG D 33 -15.021 3.703 9.933 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -16.123 0.858 8.099 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -15.983 -0.203 9.505 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -14.805 2.354 11.642 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -15.237 0.646 11.512 1.00 0.00 H new ATOM 1074 N TYR D 34 -12.104 6.845 6.006 1.00 0.00 N ATOM 1075 CA TYR D 34 -10.876 7.313 6.632 1.00 0.00 C ATOM 1076 C TYR D 34 -10.381 8.531 5.842 1.00 0.00 C ATOM 1077 O TYR D 34 -10.768 8.733 4.697 1.00 0.00 O ATOM 1078 CB TYR D 34 -9.844 6.173 6.642 1.00 0.00 C ATOM 1079 CG TYR D 34 -9.141 5.946 5.312 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -9.787 5.303 4.238 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -7.840 6.447 5.138 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -9.135 5.179 2.996 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -7.175 6.317 3.908 1.00 0.00 C ATOM 1084 CZ TYR D 34 -7.820 5.672 2.831 1.00 0.00 C ATOM 1085 OH TYR D 34 -7.165 5.523 1.647 1.00 0.00 O ATOM 0 H TYR D 34 -11.937 6.372 5.118 1.00 0.00 H new ATOM 0 HA TYR D 34 -11.042 7.610 7.668 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -9.094 6.386 7.403 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -10.344 5.250 6.936 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -10.783 4.905 4.367 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -7.344 6.939 5.962 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -9.641 4.706 2.167 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -6.176 6.708 3.787 1.00 0.00 H new ATOM 0 HH TYR D 34 -6.273 5.923 1.714 1.00 0.00 H new