USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=9 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 : amide:sc= 0.304 X(o=0.59,f=0.84) USER MOD Set 1.2: D 34 TYR OH : rot 180:sc= 0.283 USER MOD Set 2.1: D 20 ASN : amide:sc= -0.0172 K(o=0.74,f=-0.93) USER MOD Set 2.2: D 23 GLN : amide:sc= 0.753 K(o=0.74,f=-0.017) USER MOD Set 3.1: C 27 ASN :FLIP amide:sc= 0.422 F(o=0,f=0.98) USER MOD Set 3.2: C 32 HIS : no HD1:sc= 0.268 K(o=0.98,f=0) USER MOD Set 3.3: C 34 TYR OH : rot 18:sc= 0.29 USER MOD Single : C 19 TYR OH : rot 162:sc= 1.25 USER MOD Single : C 20 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.9!) USER MOD Single : C 23 GLN : amide:sc= 1.14 K(o=1.1,f=0) 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 30 THR OG1 : rot 164:sc= 1.55 USER MOD Single : D 19 TYR OH : rot -1:sc= 1.17 USER MOD Single : D 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 25 TYR OH : rot 180:sc= 0 USER MOD Single : D 30 THR OG1 : rot 155:sc= 1.29 USER MOD Single : D 32 HIS : no HD1:sc= -0.0708 X(o=-0.071,f=0) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO C 11 -6.416 -7.964 6.324 1.00 0.00 N ATOM 122 CA PRO C 11 -7.737 -7.353 6.427 1.00 0.00 C ATOM 123 C PRO C 11 -7.667 -5.885 6.017 1.00 0.00 C ATOM 124 O PRO C 11 -6.746 -5.175 6.423 1.00 0.00 O ATOM 125 CB PRO C 11 -8.163 -7.495 7.889 1.00 0.00 C ATOM 126 CG PRO C 11 -6.849 -7.705 8.633 1.00 0.00 C ATOM 127 CD PRO C 11 -5.956 -8.417 7.625 1.00 0.00 C ATOM 0 HA PRO C 11 -8.457 -7.836 5.767 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -8.684 -6.605 8.242 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -8.840 -8.338 8.028 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -6.415 -6.757 8.949 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -6.992 -8.305 9.532 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -4.907 -8.166 7.781 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -6.042 -9.500 7.718 1.00 0.00 H new ATOM 135 N VAL C 12 -8.657 -5.430 5.252 1.00 0.00 N ATOM 136 CA VAL C 12 -8.763 -4.060 4.766 1.00 0.00 C ATOM 137 C VAL C 12 -8.628 -3.063 5.916 1.00 0.00 C ATOM 138 O VAL C 12 -7.882 -2.095 5.797 1.00 0.00 O ATOM 139 CB VAL C 12 -10.118 -3.875 4.048 1.00 0.00 C ATOM 140 CG1 VAL C 12 -10.391 -2.416 3.660 1.00 0.00 C ATOM 141 CG2 VAL C 12 -10.202 -4.744 2.789 1.00 0.00 C ATOM 0 H VAL C 12 -9.428 -6.023 4.946 1.00 0.00 H new ATOM 0 HA VAL C 12 -7.952 -3.870 4.063 1.00 0.00 H new ATOM 0 HB VAL C 12 -10.877 -4.186 4.766 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -11.357 -2.347 3.159 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -10.403 -1.797 4.557 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -9.608 -2.066 2.988 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -11.167 -4.592 2.306 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -9.404 -4.466 2.101 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -10.095 -5.793 3.063 1.00 0.00 H new ATOM 151 N GLU C 13 -9.307 -3.315 7.037 1.00 0.00 N ATOM 152 CA GLU C 13 -9.280 -2.418 8.181 1.00 0.00 C ATOM 153 C GLU C 13 -7.870 -2.168 8.730 1.00 0.00 C ATOM 154 O GLU C 13 -7.624 -1.109 9.308 1.00 0.00 O ATOM 155 CB GLU C 13 -10.261 -2.933 9.232 1.00 0.00 C ATOM 156 CG GLU C 13 -10.552 -1.861 10.287 1.00 0.00 C ATOM 157 CD GLU C 13 -11.755 -2.258 11.130 1.00 0.00 C ATOM 158 OE1 GLU C 13 -12.906 -2.032 10.689 1.00 0.00 O ATOM 159 OE2 GLU C 13 -11.565 -2.787 12.248 1.00 0.00 O ATOM 0 H GLU C 13 -9.886 -4.144 7.172 1.00 0.00 H new ATOM 0 HA GLU C 13 -9.603 -1.429 7.857 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -11.191 -3.235 8.749 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -9.850 -3.820 9.714 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -9.680 -1.726 10.927 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -10.741 -0.904 9.800 1.00 0.00 H new ATOM 166 N ASP C 14 -6.956 -3.133 8.622 1.00 0.00 N ATOM 167 CA ASP C 14 -5.584 -2.954 9.095 1.00 0.00 C ATOM 168 C ASP C 14 -4.721 -2.405 7.972 1.00 0.00 C ATOM 169 O ASP C 14 -3.931 -1.483 8.182 1.00 0.00 O ATOM 170 CB ASP C 14 -5.003 -4.252 9.653 1.00 0.00 C ATOM 171 CG ASP C 14 -3.702 -3.928 10.377 1.00 0.00 C ATOM 172 OD1 ASP C 14 -3.796 -3.325 11.479 1.00 0.00 O ATOM 173 OD2 ASP C 14 -2.637 -3.976 9.733 1.00 0.00 O ATOM 0 H ASP C 14 -7.142 -4.048 8.210 1.00 0.00 H new ATOM 0 HA ASP C 14 -5.596 -2.236 9.915 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -5.711 -4.720 10.337 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -4.821 -4.963 8.847 1.00 0.00 H new ATOM 178 N LEU C 15 -4.992 -2.874 6.751 1.00 0.00 N ATOM 179 CA LEU C 15 -4.310 -2.479 5.533 1.00 0.00 C ATOM 180 C LEU C 15 -4.433 -0.964 5.333 1.00 0.00 C ATOM 181 O LEU C 15 -3.513 -0.384 4.772 1.00 0.00 O ATOM 182 CB LEU C 15 -4.864 -3.321 4.368 1.00 0.00 C ATOM 183 CG LEU C 15 -4.039 -3.358 3.067 1.00 0.00 C ATOM 184 CD1 LEU C 15 -2.633 -3.952 3.220 1.00 0.00 C ATOM 185 CD2 LEU C 15 -4.783 -4.270 2.080 1.00 0.00 C ATOM 0 H LEU C 15 -5.723 -3.566 6.586 1.00 0.00 H new ATOM 0 HA LEU C 15 -3.240 -2.678 5.588 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -4.985 -4.346 4.720 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -5.859 -2.948 4.126 1.00 0.00 H new ATOM 0 HG LEU C 15 -3.928 -2.324 2.741 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -2.125 -3.938 2.256 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -2.064 -3.361 3.938 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -2.709 -4.980 3.575 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -4.228 -4.322 1.143 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -4.872 -5.270 2.505 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -5.778 -3.866 1.891 1.00 0.00 H new ATOM 197 N ILE C 16 -5.495 -0.312 5.834 1.00 0.00 N ATOM 198 CA ILE C 16 -5.703 1.137 5.748 1.00 0.00 C ATOM 199 C ILE C 16 -4.574 1.838 6.518 1.00 0.00 C ATOM 200 O ILE C 16 -3.882 2.699 5.975 1.00 0.00 O ATOM 201 CB ILE C 16 -7.080 1.538 6.359 1.00 0.00 C ATOM 202 CG1 ILE C 16 -8.267 1.146 5.455 1.00 0.00 C ATOM 203 CG2 ILE C 16 -7.180 3.055 6.635 1.00 0.00 C ATOM 204 CD1 ILE C 16 -9.598 1.050 6.212 1.00 0.00 C ATOM 0 H ILE C 16 -6.250 -0.793 6.322 1.00 0.00 H new ATOM 0 HA ILE C 16 -5.696 1.439 4.701 1.00 0.00 H new ATOM 0 HB ILE C 16 -7.138 0.986 7.297 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -8.364 1.880 4.655 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -8.055 0.186 4.983 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -8.157 3.284 7.060 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -6.401 3.349 7.338 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -7.053 3.604 5.702 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -10.391 0.771 5.519 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -9.518 0.296 6.995 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -9.832 2.015 6.661 1.00 0.00 H new ATOM 216 N ARG C 17 -4.474 1.551 7.820 1.00 0.00 N ATOM 217 CA ARG C 17 -3.487 2.153 8.706 1.00 0.00 C ATOM 218 C ARG C 17 -2.076 1.841 8.233 1.00 0.00 C ATOM 219 O ARG C 17 -1.277 2.762 8.056 1.00 0.00 O ATOM 220 CB ARG C 17 -3.754 1.703 10.157 1.00 0.00 C ATOM 221 CG ARG C 17 -3.331 2.762 11.179 1.00 0.00 C ATOM 222 CD ARG C 17 -4.291 3.959 11.185 1.00 0.00 C ATOM 223 NE ARG C 17 -3.738 5.060 11.980 1.00 0.00 N ATOM 224 CZ ARG C 17 -4.133 5.514 13.172 1.00 0.00 C ATOM 225 NH1 ARG C 17 -5.222 5.038 13.763 1.00 0.00 N ATOM 226 NH2 ARG C 17 -3.449 6.482 13.754 1.00 0.00 N ATOM 0 H ARG C 17 -5.087 0.884 8.289 1.00 0.00 H new ATOM 0 HA ARG C 17 -3.579 3.239 8.681 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -4.815 1.487 10.279 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -3.215 0.776 10.353 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -3.299 2.316 12.173 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -2.322 3.106 10.951 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -4.469 4.295 10.163 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -5.255 3.657 11.594 1.00 0.00 H new ATOM 0 HE ARG C 17 -2.942 5.546 11.566 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -5.774 4.312 13.306 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -5.507 5.398 14.674 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -2.628 6.875 13.293 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -3.741 6.837 14.665 1.00 0.00 H new ATOM 240 N PHE C 18 -1.814 0.568 7.937 1.00 0.00 N ATOM 241 CA PHE C 18 -0.519 0.123 7.458 1.00 0.00 C ATOM 242 C PHE C 18 -0.139 0.884 6.185 1.00 0.00 C ATOM 243 O PHE C 18 1.003 1.322 6.080 1.00 0.00 O ATOM 244 CB PHE C 18 -0.538 -1.400 7.242 1.00 0.00 C ATOM 245 CG PHE C 18 0.346 -1.881 6.109 1.00 0.00 C ATOM 246 CD1 PHE C 18 -0.192 -1.961 4.813 1.00 0.00 C ATOM 247 CD2 PHE C 18 1.709 -2.159 6.316 1.00 0.00 C ATOM 248 CE1 PHE C 18 0.601 -2.380 3.736 1.00 0.00 C ATOM 249 CE2 PHE C 18 2.512 -2.547 5.228 1.00 0.00 C ATOM 250 CZ PHE C 18 1.952 -2.684 3.949 1.00 0.00 C ATOM 0 H PHE C 18 -2.501 -0.181 8.025 1.00 0.00 H new ATOM 0 HA PHE C 18 0.245 0.340 8.205 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -0.225 -1.890 8.164 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -1.563 -1.714 7.046 1.00 0.00 H new ATOM 0 HD1 PHE C 18 -1.226 -1.697 4.646 1.00 0.00 H new ATOM 0 HD2 PHE C 18 2.137 -2.075 7.304 1.00 0.00 H new ATOM 0 HE1 PHE C 18 0.173 -2.468 2.748 1.00 0.00 H new ATOM 0 HE2 PHE C 18 3.564 -2.740 5.378 1.00 0.00 H new ATOM 0 HZ PHE C 18 2.564 -3.025 3.127 1.00 0.00 H new ATOM 260 N TYR C 19 -1.070 1.073 5.241 1.00 0.00 N ATOM 261 CA TYR C 19 -0.839 1.768 3.979 1.00 0.00 C ATOM 262 C TYR C 19 -0.434 3.227 4.194 1.00 0.00 C ATOM 263 O TYR C 19 0.436 3.745 3.485 1.00 0.00 O ATOM 264 CB TYR C 19 -2.099 1.672 3.109 1.00 0.00 C ATOM 265 CG TYR C 19 -2.041 2.518 1.862 1.00 0.00 C ATOM 266 CD1 TYR C 19 -2.463 3.858 1.912 1.00 0.00 C ATOM 267 CD2 TYR C 19 -1.539 1.977 0.669 1.00 0.00 C ATOM 268 CE1 TYR C 19 -2.349 4.679 0.781 1.00 0.00 C ATOM 269 CE2 TYR C 19 -1.428 2.799 -0.471 1.00 0.00 C ATOM 270 CZ TYR C 19 -1.815 4.157 -0.415 1.00 0.00 C ATOM 271 OH TYR C 19 -1.660 4.977 -1.491 1.00 0.00 O ATOM 0 H TYR C 19 -2.028 0.736 5.341 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.006 1.284 3.468 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -2.255 0.631 2.824 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -2.963 1.973 3.702 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -2.877 4.257 2.826 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -1.240 0.940 0.624 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -2.670 5.709 0.826 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -1.045 2.388 -1.393 1.00 0.00 H new ATOM 0 HH TYR C 19 -1.033 4.570 -2.125 1.00 0.00 H new ATOM 281 N ASN C 20 -1.089 3.918 5.126 1.00 0.00 N ATOM 282 CA ASN C 20 -0.770 5.309 5.411 1.00 0.00 C ATOM 283 C ASN C 20 0.656 5.384 5.940 1.00 0.00 C ATOM 284 O ASN C 20 1.467 6.106 5.363 1.00 0.00 O ATOM 285 CB ASN C 20 -1.795 5.877 6.405 1.00 0.00 C ATOM 286 CG ASN C 20 -1.651 7.381 6.608 1.00 0.00 C ATOM 287 OD1 ASN C 20 -0.582 7.886 6.945 1.00 0.00 O ATOM 288 ND2 ASN C 20 -2.745 8.115 6.489 1.00 0.00 N ATOM 0 H ASN C 20 -1.843 3.534 5.695 1.00 0.00 H new ATOM 0 HA ASN C 20 -0.827 5.916 4.508 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -2.801 5.658 6.047 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -1.681 5.373 7.365 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -2.710 9.117 6.678 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -3.623 7.679 6.208 1.00 0.00 H new ATOM 295 N ASP C 21 1.015 4.561 6.927 1.00 0.00 N ATOM 296 CA ASP C 21 2.371 4.587 7.479 1.00 0.00 C ATOM 297 C ASP C 21 3.423 4.043 6.500 1.00 0.00 C ATOM 298 O ASP C 21 4.570 4.496 6.497 1.00 0.00 O ATOM 299 CB ASP C 21 2.426 3.809 8.790 1.00 0.00 C ATOM 300 CG ASP C 21 3.726 4.135 9.522 1.00 0.00 C ATOM 301 OD1 ASP C 21 3.956 5.333 9.816 1.00 0.00 O ATOM 302 OD2 ASP C 21 4.559 3.225 9.719 1.00 0.00 O ATOM 0 H ASP C 21 0.394 3.875 7.357 1.00 0.00 H new ATOM 0 HA ASP C 21 2.615 5.633 7.663 1.00 0.00 H new ATOM 0 HB2 ASP C 21 1.570 4.067 9.414 1.00 0.00 H new ATOM 0 HB3 ASP C 21 2.366 2.739 8.593 1.00 0.00 H new ATOM 307 N LEU C 22 3.014 3.137 5.599 1.00 0.00 N ATOM 308 CA LEU C 22 3.844 2.506 4.567 1.00 0.00 C ATOM 309 C LEU C 22 4.471 3.577 3.680 1.00 0.00 C ATOM 310 O LEU C 22 5.517 3.308 3.095 1.00 0.00 O ATOM 311 CB LEU C 22 3.015 1.489 3.745 1.00 0.00 C ATOM 312 CG LEU C 22 3.595 0.985 2.404 1.00 0.00 C ATOM 313 CD1 LEU C 22 4.846 0.127 2.594 1.00 0.00 C ATOM 314 CD2 LEU C 22 2.565 0.116 1.672 1.00 0.00 C ATOM 0 H LEU C 22 2.048 2.810 5.571 1.00 0.00 H new ATOM 0 HA LEU C 22 4.651 1.950 5.045 1.00 0.00 H new ATOM 0 HB2 LEU C 22 2.834 0.619 4.377 1.00 0.00 H new ATOM 0 HB3 LEU C 22 2.045 1.940 3.539 1.00 0.00 H new ATOM 0 HG LEU C 22 3.849 1.877 1.831 1.00 0.00 H new ATOM 0 HD11 LEU C 22 5.213 -0.201 1.622 1.00 0.00 H new ATOM 0 HD12 LEU C 22 5.617 0.713 3.094 1.00 0.00 H new ATOM 0 HD13 LEU C 22 4.601 -0.744 3.202 1.00 0.00 H new ATOM 0 HD21 LEU C 22 2.987 -0.232 0.729 1.00 0.00 H new ATOM 0 HD22 LEU C 22 2.306 -0.742 2.292 1.00 0.00 H new ATOM 0 HD23 LEU C 22 1.669 0.704 1.473 1.00 0.00 H new ATOM 326 N GLN C 23 3.899 4.790 3.628 1.00 0.00 N ATOM 327 CA GLN C 23 4.420 5.894 2.839 1.00 0.00 C ATOM 328 C GLN C 23 5.917 6.073 3.118 1.00 0.00 C ATOM 329 O GLN C 23 6.707 6.179 2.181 1.00 0.00 O ATOM 330 CB GLN C 23 3.616 7.188 3.099 1.00 0.00 C ATOM 331 CG GLN C 23 3.932 7.916 4.418 1.00 0.00 C ATOM 332 CD GLN C 23 3.014 9.110 4.638 1.00 0.00 C ATOM 333 OE1 GLN C 23 3.403 10.254 4.410 1.00 0.00 O ATOM 334 NE2 GLN C 23 1.799 8.872 5.088 1.00 0.00 N ATOM 0 H GLN C 23 3.051 5.025 4.143 1.00 0.00 H new ATOM 0 HA GLN C 23 4.304 5.663 1.780 1.00 0.00 H new ATOM 0 HB2 GLN C 23 3.794 7.877 2.273 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.554 6.943 3.086 1.00 0.00 H new ATOM 0 HG2 GLN C 23 3.830 7.220 5.251 1.00 0.00 H new ATOM 0 HG3 GLN C 23 4.969 8.252 4.409 1.00 0.00 H new ATOM 0 HE21 GLN C 23 1.501 7.913 5.269 1.00 0.00 H new ATOM 0 HE22 GLN C 23 1.156 9.646 5.255 1.00 0.00 H new ATOM 343 N GLN C 24 6.300 6.010 4.398 1.00 0.00 N ATOM 344 CA GLN C 24 7.663 6.166 4.852 1.00 0.00 C ATOM 345 C GLN C 24 8.471 4.889 4.673 1.00 0.00 C ATOM 346 O GLN C 24 9.591 4.972 4.181 1.00 0.00 O ATOM 347 CB GLN C 24 7.656 6.583 6.325 1.00 0.00 C ATOM 348 CG GLN C 24 7.451 8.088 6.482 1.00 0.00 C ATOM 349 CD GLN C 24 7.714 8.523 7.915 1.00 0.00 C ATOM 350 OE1 GLN C 24 6.781 8.716 8.693 1.00 0.00 O ATOM 351 NE2 GLN C 24 8.973 8.601 8.306 1.00 0.00 N ATOM 0 H GLN C 24 5.642 5.844 5.159 1.00 0.00 H new ATOM 0 HA GLN C 24 8.139 6.937 4.246 1.00 0.00 H new ATOM 0 HB2 GLN C 24 6.863 6.050 6.851 1.00 0.00 H new ATOM 0 HB3 GLN C 24 8.598 6.293 6.790 1.00 0.00 H new ATOM 0 HG2 GLN C 24 8.119 8.623 5.807 1.00 0.00 H new ATOM 0 HG3 GLN C 24 6.432 8.352 6.198 1.00 0.00 H new ATOM 0 HE21 GLN C 24 9.726 8.436 7.638 1.00 0.00 H new ATOM 0 HE22 GLN C 24 9.193 8.826 9.276 1.00 0.00 H new ATOM 360 N TYR C 25 7.947 3.721 5.058 1.00 0.00 N ATOM 361 CA TYR C 25 8.674 2.456 4.921 1.00 0.00 C ATOM 362 C TYR C 25 9.090 2.231 3.466 1.00 0.00 C ATOM 363 O TYR C 25 10.249 1.898 3.215 1.00 0.00 O ATOM 364 CB TYR C 25 7.859 1.290 5.505 1.00 0.00 C ATOM 365 CG TYR C 25 8.243 -0.110 5.046 1.00 0.00 C ATOM 366 CD1 TYR C 25 9.587 -0.531 5.005 1.00 0.00 C ATOM 367 CD2 TYR C 25 7.233 -1.005 4.647 1.00 0.00 C ATOM 368 CE1 TYR C 25 9.910 -1.808 4.512 1.00 0.00 C ATOM 369 CE2 TYR C 25 7.554 -2.260 4.106 1.00 0.00 C ATOM 370 CZ TYR C 25 8.901 -2.668 4.032 1.00 0.00 C ATOM 371 OH TYR C 25 9.230 -3.877 3.508 1.00 0.00 O ATOM 0 H TYR C 25 7.018 3.626 5.469 1.00 0.00 H new ATOM 0 HA TYR C 25 9.594 2.507 5.504 1.00 0.00 H new ATOM 0 HB2 TYR C 25 7.943 1.327 6.591 1.00 0.00 H new ATOM 0 HB3 TYR C 25 6.809 1.452 5.260 1.00 0.00 H new ATOM 0 HD1 TYR C 25 10.370 0.127 5.352 1.00 0.00 H new ATOM 0 HD2 TYR C 25 6.197 -0.722 4.759 1.00 0.00 H new ATOM 0 HE1 TYR C 25 10.940 -2.133 4.501 1.00 0.00 H new ATOM 0 HE2 TYR C 25 6.771 -2.911 3.747 1.00 0.00 H new ATOM 0 HH TYR C 25 8.416 -4.344 3.226 1.00 0.00 H new ATOM 381 N LEU C 26 8.192 2.467 2.502 1.00 0.00 N ATOM 382 CA LEU C 26 8.515 2.288 1.090 1.00 0.00 C ATOM 383 C LEU C 26 9.668 3.208 0.693 1.00 0.00 C ATOM 384 O LEU C 26 10.540 2.799 -0.075 1.00 0.00 O ATOM 385 CB LEU C 26 7.290 2.536 0.184 1.00 0.00 C ATOM 386 CG LEU C 26 6.859 1.287 -0.603 1.00 0.00 C ATOM 387 CD1 LEU C 26 5.621 1.601 -1.448 1.00 0.00 C ATOM 388 CD2 LEU C 26 7.975 0.752 -1.507 1.00 0.00 C ATOM 0 H LEU C 26 7.238 2.782 2.678 1.00 0.00 H new ATOM 0 HA LEU C 26 8.820 1.251 0.949 1.00 0.00 H new ATOM 0 HB2 LEU C 26 6.456 2.878 0.797 1.00 0.00 H new ATOM 0 HB3 LEU C 26 7.520 3.338 -0.517 1.00 0.00 H new ATOM 0 HG LEU C 26 6.627 0.512 0.128 1.00 0.00 H new ATOM 0 HD11 LEU C 26 5.323 0.711 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU C 26 4.805 1.913 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU C 26 5.853 2.403 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU C 26 7.620 -0.130 -2.040 1.00 0.00 H new ATOM 0 HD22 LEU C 26 8.261 1.520 -2.226 1.00 0.00 H new ATOM 0 HD23 LEU C 26 8.839 0.485 -0.899 1.00 0.00 H new ATOM 400 N ASN C 27 9.707 4.420 1.255 1.00 0.00 N ATOM 401 CA ASN C 27 10.740 5.416 1.000 1.00 0.00 C ATOM 402 C ASN C 27 12.117 4.870 1.396 1.00 0.00 C ATOM 403 O ASN C 27 13.079 5.007 0.638 1.00 0.00 O ATOM 404 CB ASN C 27 10.408 6.721 1.742 1.00 0.00 C ATOM 405 CG ASN C 27 11.022 7.935 1.064 1.00 0.00 C ATOM 406 OD1 ASN C 27 10.192 8.838 0.570 1.00 0.00 O flip ATOM 407 ND2 ASN C 27 12.240 8.042 0.936 1.00 0.00 N flip ATOM 0 H ASN C 27 9.000 4.739 1.917 1.00 0.00 H new ATOM 0 HA ASN C 27 10.771 5.638 -0.067 1.00 0.00 H new ATOM 0 HB2 ASN C 27 9.326 6.843 1.793 1.00 0.00 H new ATOM 0 HB3 ASN C 27 10.771 6.657 2.768 1.00 0.00 H new ATOM 0 HD21 ASN C 27 12.858 7.331 1.327 1.00 0.00 H new ATOM 0 HD22 ASN C 27 12.632 8.842 0.439 1.00 0.00 H new ATOM 414 N VAL C 28 12.194 4.137 2.515 1.00 0.00 N ATOM 415 CA VAL C 28 13.439 3.547 3.002 1.00 0.00 C ATOM 416 C VAL C 28 13.907 2.442 2.054 1.00 0.00 C ATOM 417 O VAL C 28 15.072 2.452 1.649 1.00 0.00 O ATOM 418 CB VAL C 28 13.305 2.994 4.439 1.00 0.00 C ATOM 419 CG1 VAL C 28 14.696 2.690 5.021 1.00 0.00 C ATOM 420 CG2 VAL C 28 12.590 3.961 5.389 1.00 0.00 C ATOM 0 H VAL C 28 11.388 3.938 3.108 1.00 0.00 H new ATOM 0 HA VAL C 28 14.183 4.343 3.030 1.00 0.00 H new ATOM 0 HB VAL C 28 12.704 2.088 4.361 1.00 0.00 H new ATOM 0 HG11 VAL C 28 14.590 2.301 6.034 1.00 0.00 H new ATOM 0 HG12 VAL C 28 15.197 1.949 4.398 1.00 0.00 H new ATOM 0 HG13 VAL C 28 15.289 3.605 5.044 1.00 0.00 H new ATOM 0 HG21 VAL C 28 12.527 3.516 6.382 1.00 0.00 H new ATOM 0 HG22 VAL C 28 13.148 4.895 5.445 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.585 4.161 5.017 1.00 0.00 H new ATOM 430 N VAL C 29 13.024 1.508 1.671 1.00 0.00 N ATOM 431 CA VAL C 29 13.392 0.408 0.776 1.00 0.00 C ATOM 432 C VAL C 29 13.868 0.975 -0.560 1.00 0.00 C ATOM 433 O VAL C 29 14.920 0.575 -1.067 1.00 0.00 O ATOM 434 CB VAL C 29 12.246 -0.607 0.583 1.00 0.00 C ATOM 435 CG1 VAL C 29 12.777 -1.851 -0.143 1.00 0.00 C ATOM 436 CG2 VAL C 29 11.646 -1.091 1.905 1.00 0.00 C ATOM 0 H VAL C 29 12.049 1.495 1.969 1.00 0.00 H new ATOM 0 HA VAL C 29 14.207 -0.147 1.241 1.00 0.00 H new ATOM 0 HB VAL C 29 11.476 -0.088 0.012 1.00 0.00 H new ATOM 0 HG11 VAL C 29 11.966 -2.567 -0.279 1.00 0.00 H new ATOM 0 HG12 VAL C 29 13.173 -1.563 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL C 29 13.569 -2.308 0.450 1.00 0.00 H new ATOM 0 HG21 VAL C 29 10.845 -1.802 1.702 1.00 0.00 H new ATOM 0 HG22 VAL C 29 12.420 -1.576 2.500 1.00 0.00 H new ATOM 0 HG23 VAL C 29 11.245 -0.240 2.456 1.00 0.00 H new ATOM 446 N THR C 30 13.153 1.957 -1.102 1.00 0.00 N ATOM 447 CA THR C 30 13.507 2.600 -2.364 1.00 0.00 C ATOM 448 C THR C 30 14.717 3.511 -2.231 1.00 0.00 C ATOM 449 O THR C 30 15.306 3.890 -3.244 1.00 0.00 O ATOM 450 CB THR C 30 12.291 3.332 -2.923 1.00 0.00 C ATOM 451 OG1 THR C 30 11.792 4.235 -1.971 1.00 0.00 O ATOM 452 CG2 THR C 30 11.207 2.325 -3.294 1.00 0.00 C ATOM 0 H THR C 30 12.306 2.332 -0.675 1.00 0.00 H new ATOM 0 HA THR C 30 13.802 1.827 -3.073 1.00 0.00 H new ATOM 0 HB THR C 30 12.590 3.884 -3.814 1.00 0.00 H new ATOM 0 HG1 THR C 30 11.187 4.870 -2.408 1.00 0.00 H new ATOM 0 HG21 THR C 30 10.341 2.853 -3.693 1.00 0.00 H new ATOM 0 HG22 THR C 30 11.591 1.638 -4.048 1.00 0.00 H new ATOM 0 HG23 THR C 30 10.913 1.764 -2.407 1.00 0.00 H new ATOM 460 N ARG C 31 15.180 3.712 -0.999 1.00 0.00 N ATOM 461 CA ARG C 31 16.313 4.537 -0.621 1.00 0.00 C ATOM 462 C ARG C 31 16.156 5.918 -1.260 1.00 0.00 C ATOM 463 O ARG C 31 17.098 6.438 -1.856 1.00 0.00 O ATOM 464 CB ARG C 31 17.591 3.779 -1.006 1.00 0.00 C ATOM 465 CG ARG C 31 18.840 4.368 -0.350 1.00 0.00 C ATOM 466 CD ARG C 31 20.031 4.155 -1.281 1.00 0.00 C ATOM 467 NE ARG C 31 21.259 4.765 -0.760 1.00 0.00 N ATOM 468 CZ ARG C 31 22.418 4.775 -1.420 1.00 0.00 C ATOM 469 NH1 ARG C 31 22.494 4.269 -2.645 1.00 0.00 N ATOM 470 NH2 ARG C 31 23.506 5.273 -0.852 1.00 0.00 N ATOM 0 H ARG C 31 14.742 3.272 -0.190 1.00 0.00 H new ATOM 0 HA ARG C 31 16.371 4.721 0.452 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.491 2.733 -0.716 1.00 0.00 H new ATOM 0 HB3 ARG C 31 17.709 3.799 -2.089 1.00 0.00 H new ATOM 0 HG2 ARG C 31 18.698 5.431 -0.155 1.00 0.00 H new ATOM 0 HG3 ARG C 31 19.023 3.889 0.612 1.00 0.00 H new ATOM 0 HD2 ARG C 31 20.191 3.086 -1.424 1.00 0.00 H new ATOM 0 HD3 ARG C 31 19.805 4.578 -2.260 1.00 0.00 H new ATOM 0 HE ARG C 31 21.225 5.206 0.159 1.00 0.00 H new ATOM 0 HH11 ARG C 31 21.664 3.871 -3.085 1.00 0.00 H new ATOM 0 HH12 ARG C 31 23.382 4.279 -3.147 1.00 0.00 H new ATOM 0 HH21 ARG C 31 23.460 5.651 0.094 1.00 0.00 H new ATOM 0 HH22 ARG C 31 24.390 5.278 -1.361 1.00 0.00 H new ATOM 484 N HIS C 32 14.948 6.483 -1.147 1.00 0.00 N ATOM 485 CA HIS C 32 14.571 7.782 -1.692 1.00 0.00 C ATOM 486 C HIS C 32 15.031 7.856 -3.159 1.00 0.00 C ATOM 487 O HIS C 32 15.856 8.690 -3.533 1.00 0.00 O ATOM 488 CB HIS C 32 15.121 8.898 -0.781 1.00 0.00 C ATOM 489 CG HIS C 32 14.423 10.228 -0.932 1.00 0.00 C ATOM 490 ND1 HIS C 32 13.624 10.820 0.020 1.00 0.00 N ATOM 491 CD2 HIS C 32 14.514 11.090 -1.993 1.00 0.00 C ATOM 492 CE1 HIS C 32 13.240 12.016 -0.458 1.00 0.00 C ATOM 493 NE2 HIS C 32 13.751 12.223 -1.686 1.00 0.00 N ATOM 0 H HIS C 32 14.181 6.026 -0.654 1.00 0.00 H new ATOM 0 HA HIS C 32 13.490 7.923 -1.706 1.00 0.00 H new ATOM 0 HB2 HIS C 32 15.041 8.575 0.257 1.00 0.00 H new ATOM 0 HB3 HIS C 32 16.182 9.032 -0.992 1.00 0.00 H new ATOM 0 HD2 HIS C 32 15.073 10.925 -2.902 1.00 0.00 H new ATOM 0 HE1 HIS C 32 12.608 12.715 0.070 1.00 0.00 H new ATOM 0 HE2 HIS C 32 13.610 13.043 -2.276 1.00 0.00 H new ATOM 501 N ARG C 33 14.506 6.963 -4.012 1.00 0.00 N ATOM 502 CA ARG C 33 14.890 6.920 -5.428 1.00 0.00 C ATOM 503 C ARG C 33 13.735 6.558 -6.373 1.00 0.00 C ATOM 504 O ARG C 33 13.968 5.986 -7.439 1.00 0.00 O ATOM 505 CB ARG C 33 16.092 5.959 -5.529 1.00 0.00 C ATOM 506 CG ARG C 33 16.994 6.274 -6.723 1.00 0.00 C ATOM 507 CD ARG C 33 18.333 5.551 -6.592 1.00 0.00 C ATOM 508 NE ARG C 33 19.125 5.741 -7.811 1.00 0.00 N ATOM 509 CZ ARG C 33 20.370 5.318 -8.023 1.00 0.00 C ATOM 510 NH1 ARG C 33 21.022 4.616 -7.100 1.00 0.00 N ATOM 511 NH2 ARG C 33 20.954 5.623 -9.171 1.00 0.00 N ATOM 0 H ARG C 33 13.815 6.262 -3.744 1.00 0.00 H new ATOM 0 HA ARG C 33 15.171 7.916 -5.769 1.00 0.00 H new ATOM 0 HB2 ARG C 33 16.677 6.016 -4.611 1.00 0.00 H new ATOM 0 HB3 ARG C 33 15.728 4.935 -5.612 1.00 0.00 H new ATOM 0 HG2 ARG C 33 16.501 5.973 -7.647 1.00 0.00 H new ATOM 0 HG3 ARG C 33 17.160 7.349 -6.786 1.00 0.00 H new ATOM 0 HD2 ARG C 33 18.879 5.933 -5.730 1.00 0.00 H new ATOM 0 HD3 ARG C 33 18.167 4.488 -6.418 1.00 0.00 H new ATOM 0 HE ARG C 33 18.677 6.249 -8.574 1.00 0.00 H new ATOM 0 HH11 ARG C 33 20.569 4.394 -6.214 1.00 0.00 H new ATOM 0 HH12 ARG C 33 21.975 4.300 -7.279 1.00 0.00 H new ATOM 0 HH21 ARG C 33 20.451 6.170 -9.869 1.00 0.00 H new ATOM 0 HH22 ARG C 33 21.907 5.311 -9.357 1.00 0.00 H new ATOM 525 N TYR C 34 12.493 6.726 -5.928 1.00 0.00 N ATOM 526 CA TYR C 34 11.262 6.434 -6.660 1.00 0.00 C ATOM 527 C TYR C 34 10.504 7.738 -6.895 1.00 0.00 C ATOM 528 O TYR C 34 10.885 8.789 -6.375 1.00 0.00 O ATOM 529 CB TYR C 34 10.405 5.429 -5.868 1.00 0.00 C ATOM 530 CG TYR C 34 9.770 5.968 -4.589 1.00 0.00 C ATOM 531 CD1 TYR C 34 10.581 6.428 -3.534 1.00 0.00 C ATOM 532 CD2 TYR C 34 8.368 5.991 -4.430 1.00 0.00 C ATOM 533 CE1 TYR C 34 10.014 6.883 -2.339 1.00 0.00 C ATOM 534 CE2 TYR C 34 7.794 6.391 -3.211 1.00 0.00 C ATOM 535 CZ TYR C 34 8.620 6.824 -2.153 1.00 0.00 C ATOM 536 OH TYR C 34 8.099 7.159 -0.949 1.00 0.00 O ATOM 0 H TYR C 34 12.307 7.090 -4.994 1.00 0.00 H new ATOM 0 HA TYR C 34 11.498 5.984 -7.624 1.00 0.00 H new ATOM 0 HB2 TYR C 34 9.612 5.062 -6.520 1.00 0.00 H new ATOM 0 HB3 TYR C 34 11.027 4.572 -5.610 1.00 0.00 H new ATOM 0 HD1 TYR C 34 11.655 6.430 -3.649 1.00 0.00 H new ATOM 0 HD2 TYR C 34 7.731 5.699 -5.252 1.00 0.00 H new ATOM 0 HE1 TYR C 34 10.646 7.280 -1.558 1.00 0.00 H new ATOM 0 HE2 TYR C 34 6.722 6.367 -3.085 1.00 0.00 H new ATOM 0 HH TYR C 34 8.756 7.680 -0.442 1.00 0.00 H new ATOM 670 N PRO D 11 6.507 -7.943 -5.267 1.00 0.00 N ATOM 671 CA PRO D 11 7.843 -7.359 -5.243 1.00 0.00 C ATOM 672 C PRO D 11 7.736 -5.861 -4.953 1.00 0.00 C ATOM 673 O PRO D 11 6.782 -5.212 -5.386 1.00 0.00 O ATOM 674 CB PRO D 11 8.449 -7.660 -6.613 1.00 0.00 C ATOM 675 CG PRO D 11 7.234 -7.790 -7.528 1.00 0.00 C ATOM 676 CD PRO D 11 6.154 -8.369 -6.612 1.00 0.00 C ATOM 0 HA PRO D 11 8.480 -7.772 -4.461 1.00 0.00 H new ATOM 0 HB2 PRO D 11 9.113 -6.860 -6.941 1.00 0.00 H new ATOM 0 HB3 PRO D 11 9.038 -8.577 -6.597 1.00 0.00 H new ATOM 0 HG2 PRO D 11 6.936 -6.825 -7.939 1.00 0.00 H new ATOM 0 HG3 PRO D 11 7.437 -8.447 -8.373 1.00 0.00 H new ATOM 0 HD2 PRO D 11 5.166 -8.003 -6.892 1.00 0.00 H new ATOM 0 HD3 PRO D 11 6.123 -9.456 -6.683 1.00 0.00 H new ATOM 684 N VAL D 12 8.726 -5.300 -4.259 1.00 0.00 N ATOM 685 CA VAL D 12 8.752 -3.886 -3.891 1.00 0.00 C ATOM 686 C VAL D 12 8.644 -2.991 -5.126 1.00 0.00 C ATOM 687 O VAL D 12 7.917 -2.003 -5.102 1.00 0.00 O ATOM 688 CB VAL D 12 10.031 -3.537 -3.096 1.00 0.00 C ATOM 689 CG1 VAL D 12 9.838 -2.224 -2.321 1.00 0.00 C ATOM 690 CG2 VAL D 12 10.472 -4.611 -2.094 1.00 0.00 C ATOM 0 H VAL D 12 9.541 -5.821 -3.933 1.00 0.00 H new ATOM 0 HA VAL D 12 7.887 -3.703 -3.253 1.00 0.00 H new ATOM 0 HB VAL D 12 10.812 -3.453 -3.851 1.00 0.00 H new ATOM 0 HG11 VAL D 12 10.747 -1.992 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL D 12 9.624 -1.416 -3.021 1.00 0.00 H new ATOM 0 HG13 VAL D 12 9.006 -2.331 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL D 12 11.376 -4.282 -1.582 1.00 0.00 H new ATOM 0 HG22 VAL D 12 9.680 -4.774 -1.363 1.00 0.00 H new ATOM 0 HG23 VAL D 12 10.674 -5.542 -2.624 1.00 0.00 H new ATOM 700 N GLU D 13 9.322 -3.371 -6.208 1.00 0.00 N ATOM 701 CA GLU D 13 9.364 -2.645 -7.468 1.00 0.00 C ATOM 702 C GLU D 13 7.962 -2.328 -7.997 1.00 0.00 C ATOM 703 O GLU D 13 7.682 -1.177 -8.338 1.00 0.00 O ATOM 704 CB GLU D 13 10.208 -3.475 -8.437 1.00 0.00 C ATOM 705 CG GLU D 13 10.685 -2.655 -9.633 1.00 0.00 C ATOM 706 CD GLU D 13 11.581 -3.508 -10.525 1.00 0.00 C ATOM 707 OE1 GLU D 13 11.128 -4.570 -11.004 1.00 0.00 O ATOM 708 OE2 GLU D 13 12.805 -3.247 -10.560 1.00 0.00 O ATOM 0 H GLU D 13 9.877 -4.226 -6.227 1.00 0.00 H new ATOM 0 HA GLU D 13 9.824 -1.666 -7.336 1.00 0.00 H new ATOM 0 HB2 GLU D 13 11.071 -3.880 -7.909 1.00 0.00 H new ATOM 0 HB3 GLU D 13 9.623 -4.324 -8.791 1.00 0.00 H new ATOM 0 HG2 GLU D 13 9.828 -2.294 -10.202 1.00 0.00 H new ATOM 0 HG3 GLU D 13 11.231 -1.777 -9.288 1.00 0.00 H new ATOM 715 N ASP D 14 7.097 -3.340 -8.093 1.00 0.00 N ATOM 716 CA ASP D 14 5.724 -3.154 -8.562 1.00 0.00 C ATOM 717 C ASP D 14 4.870 -2.580 -7.434 1.00 0.00 C ATOM 718 O ASP D 14 4.020 -1.728 -7.697 1.00 0.00 O ATOM 719 CB ASP D 14 5.130 -4.472 -9.057 1.00 0.00 C ATOM 720 CG ASP D 14 3.617 -4.352 -9.256 1.00 0.00 C ATOM 721 OD1 ASP D 14 3.156 -3.731 -10.244 1.00 0.00 O ATOM 722 OD2 ASP D 14 2.895 -5.032 -8.502 1.00 0.00 O ATOM 0 H ASP D 14 7.327 -4.304 -7.850 1.00 0.00 H new ATOM 0 HA ASP D 14 5.735 -2.456 -9.399 1.00 0.00 H new ATOM 0 HB2 ASP D 14 5.602 -4.758 -9.997 1.00 0.00 H new ATOM 0 HB3 ASP D 14 5.344 -5.264 -8.339 1.00 0.00 H new ATOM 727 N LEU D 15 5.171 -2.922 -6.169 1.00 0.00 N ATOM 728 CA LEU D 15 4.423 -2.420 -5.020 1.00 0.00 C ATOM 729 C LEU D 15 4.463 -0.895 -4.982 1.00 0.00 C ATOM 730 O LEU D 15 3.494 -0.289 -4.549 1.00 0.00 O ATOM 731 CB LEU D 15 4.883 -3.042 -3.684 1.00 0.00 C ATOM 732 CG LEU D 15 3.868 -2.837 -2.535 1.00 0.00 C ATOM 733 CD1 LEU D 15 2.542 -3.539 -2.795 1.00 0.00 C ATOM 734 CD2 LEU D 15 4.366 -3.437 -1.216 1.00 0.00 C ATOM 0 H LEU D 15 5.936 -3.550 -5.923 1.00 0.00 H new ATOM 0 HA LEU D 15 3.387 -2.733 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU D 15 5.050 -4.110 -3.826 1.00 0.00 H new ATOM 0 HB3 LEU D 15 5.840 -2.605 -3.397 1.00 0.00 H new ATOM 0 HG LEU D 15 3.747 -1.755 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU D 15 1.867 -3.363 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU D 15 2.096 -3.148 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU D 15 2.713 -4.610 -2.904 1.00 0.00 H new ATOM 0 HD21 LEU D 15 3.622 -3.270 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU D 15 4.527 -4.508 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU D 15 5.304 -2.960 -0.931 1.00 0.00 H new ATOM 746 N ILE D 16 5.521 -0.262 -5.491 1.00 0.00 N ATOM 747 CA ILE D 16 5.672 1.190 -5.552 1.00 0.00 C ATOM 748 C ILE D 16 4.611 1.763 -6.498 1.00 0.00 C ATOM 749 O ILE D 16 3.994 2.790 -6.191 1.00 0.00 O ATOM 750 CB ILE D 16 7.099 1.503 -6.052 1.00 0.00 C ATOM 751 CG1 ILE D 16 8.129 1.162 -4.961 1.00 0.00 C ATOM 752 CG2 ILE D 16 7.307 2.960 -6.471 1.00 0.00 C ATOM 753 CD1 ILE D 16 9.482 0.761 -5.547 1.00 0.00 C ATOM 0 H ILE D 16 6.319 -0.761 -5.883 1.00 0.00 H new ATOM 0 HA ILE D 16 5.532 1.645 -4.571 1.00 0.00 H new ATOM 0 HB ILE D 16 7.238 0.886 -6.940 1.00 0.00 H new ATOM 0 HG12 ILE D 16 8.260 2.023 -4.306 1.00 0.00 H new ATOM 0 HG13 ILE D 16 7.747 0.348 -4.345 1.00 0.00 H new ATOM 0 HG21 ILE D 16 8.334 3.098 -6.809 1.00 0.00 H new ATOM 0 HG22 ILE D 16 6.621 3.207 -7.282 1.00 0.00 H new ATOM 0 HG23 ILE D 16 7.114 3.614 -5.621 1.00 0.00 H new ATOM 0 HD11 ILE D 16 10.175 0.530 -4.738 1.00 0.00 H new ATOM 0 HD12 ILE D 16 9.358 -0.117 -6.181 1.00 0.00 H new ATOM 0 HD13 ILE D 16 9.879 1.584 -6.141 1.00 0.00 H new ATOM 765 N ARG D 17 4.488 1.174 -7.693 1.00 0.00 N ATOM 766 CA ARG D 17 3.537 1.588 -8.718 1.00 0.00 C ATOM 767 C ARG D 17 2.126 1.423 -8.173 1.00 0.00 C ATOM 768 O ARG D 17 1.349 2.381 -8.164 1.00 0.00 O ATOM 769 CB ARG D 17 3.761 0.746 -9.994 1.00 0.00 C ATOM 770 CG ARG D 17 3.302 1.471 -11.266 1.00 0.00 C ATOM 771 CD ARG D 17 4.330 2.541 -11.629 1.00 0.00 C ATOM 772 NE ARG D 17 3.904 3.391 -12.748 1.00 0.00 N ATOM 773 CZ ARG D 17 4.697 4.288 -13.338 1.00 0.00 C ATOM 774 NH1 ARG D 17 5.970 4.368 -12.974 1.00 0.00 N ATOM 775 NH2 ARG D 17 4.241 5.099 -14.282 1.00 0.00 N ATOM 0 H ARG D 17 5.062 0.379 -7.976 1.00 0.00 H new ATOM 0 HA ARG D 17 3.683 2.636 -8.981 1.00 0.00 H new ATOM 0 HB2 ARG D 17 4.819 0.500 -10.082 1.00 0.00 H new ATOM 0 HB3 ARG D 17 3.221 -0.197 -9.902 1.00 0.00 H new ATOM 0 HG2 ARG D 17 3.193 0.761 -12.085 1.00 0.00 H new ATOM 0 HG3 ARG D 17 2.325 1.927 -11.107 1.00 0.00 H new ATOM 0 HD2 ARG D 17 4.519 3.166 -10.756 1.00 0.00 H new ATOM 0 HD3 ARG D 17 5.273 2.059 -11.885 1.00 0.00 H new ATOM 0 HE ARG D 17 2.950 3.290 -13.093 1.00 0.00 H new ATOM 0 HH11 ARG D 17 6.333 3.748 -12.250 1.00 0.00 H new ATOM 0 HH12 ARG D 17 6.585 5.050 -13.418 1.00 0.00 H new ATOM 0 HH21 ARG D 17 3.265 5.046 -14.572 1.00 0.00 H new ATOM 0 HH22 ARG D 17 4.866 5.776 -14.718 1.00 0.00 H new ATOM 789 N PHE D 18 1.855 0.230 -7.649 1.00 0.00 N ATOM 790 CA PHE D 18 0.596 -0.165 -7.056 1.00 0.00 C ATOM 791 C PHE D 18 0.242 0.782 -5.910 1.00 0.00 C ATOM 792 O PHE D 18 -0.874 1.274 -5.875 1.00 0.00 O ATOM 793 CB PHE D 18 0.731 -1.625 -6.595 1.00 0.00 C ATOM 794 CG PHE D 18 -0.273 -2.098 -5.563 1.00 0.00 C ATOM 795 CD1 PHE D 18 -0.045 -1.823 -4.201 1.00 0.00 C ATOM 796 CD2 PHE D 18 -1.387 -2.869 -5.939 1.00 0.00 C ATOM 797 CE1 PHE D 18 -0.907 -2.330 -3.221 1.00 0.00 C ATOM 798 CE2 PHE D 18 -2.261 -3.369 -4.957 1.00 0.00 C ATOM 799 CZ PHE D 18 -2.015 -3.104 -3.599 1.00 0.00 C ATOM 0 H PHE D 18 2.547 -0.519 -7.629 1.00 0.00 H new ATOM 0 HA PHE D 18 -0.221 -0.101 -7.775 1.00 0.00 H new ATOM 0 HB2 PHE D 18 0.651 -2.269 -7.471 1.00 0.00 H new ATOM 0 HB3 PHE D 18 1.732 -1.764 -6.187 1.00 0.00 H new ATOM 0 HD1 PHE D 18 0.800 -1.217 -3.910 1.00 0.00 H new ATOM 0 HD2 PHE D 18 -1.572 -3.077 -6.982 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -0.720 -2.126 -2.177 1.00 0.00 H new ATOM 0 HE2 PHE D 18 -3.120 -3.956 -5.246 1.00 0.00 H new ATOM 0 HZ PHE D 18 -2.680 -3.497 -2.844 1.00 0.00 H new ATOM 809 N TYR D 19 1.191 1.130 -5.034 1.00 0.00 N ATOM 810 CA TYR D 19 0.991 2.009 -3.885 1.00 0.00 C ATOM 811 C TYR D 19 0.438 3.367 -4.301 1.00 0.00 C ATOM 812 O TYR D 19 -0.460 3.901 -3.644 1.00 0.00 O ATOM 813 CB TYR D 19 2.317 2.188 -3.122 1.00 0.00 C ATOM 814 CG TYR D 19 2.199 3.050 -1.885 1.00 0.00 C ATOM 815 CD1 TYR D 19 1.742 2.458 -0.699 1.00 0.00 C ATOM 816 CD2 TYR D 19 2.490 4.429 -1.917 1.00 0.00 C ATOM 817 CE1 TYR D 19 1.518 3.244 0.439 1.00 0.00 C ATOM 818 CE2 TYR D 19 2.269 5.223 -0.776 1.00 0.00 C ATOM 819 CZ TYR D 19 1.743 4.633 0.399 1.00 0.00 C ATOM 820 OH TYR D 19 1.417 5.385 1.484 1.00 0.00 O ATOM 0 H TYR D 19 2.151 0.794 -5.111 1.00 0.00 H new ATOM 0 HA TYR D 19 0.256 1.540 -3.231 1.00 0.00 H new ATOM 0 HB2 TYR D 19 2.695 1.207 -2.835 1.00 0.00 H new ATOM 0 HB3 TYR D 19 3.054 2.630 -3.792 1.00 0.00 H new ATOM 0 HD1 TYR D 19 1.562 1.394 -0.663 1.00 0.00 H new ATOM 0 HD2 TYR D 19 2.883 4.877 -2.818 1.00 0.00 H new ATOM 0 HE1 TYR D 19 1.171 2.782 1.351 1.00 0.00 H new ATOM 0 HE2 TYR D 19 2.500 6.278 -0.797 1.00 0.00 H new ATOM 0 HH TYR D 19 1.033 4.809 2.178 1.00 0.00 H new ATOM 830 N ASN D 20 1.012 3.938 -5.359 1.00 0.00 N ATOM 831 CA ASN D 20 0.616 5.235 -5.882 1.00 0.00 C ATOM 832 C ASN D 20 -0.811 5.183 -6.425 1.00 0.00 C ATOM 833 O ASN D 20 -1.626 6.032 -6.068 1.00 0.00 O ATOM 834 CB ASN D 20 1.622 5.660 -6.964 1.00 0.00 C ATOM 835 CG ASN D 20 1.583 7.150 -7.260 1.00 0.00 C ATOM 836 OD1 ASN D 20 0.595 7.835 -7.007 1.00 0.00 O ATOM 837 ND2 ASN D 20 2.693 7.723 -7.693 1.00 0.00 N ATOM 0 H ASN D 20 1.774 3.504 -5.880 1.00 0.00 H new ATOM 0 HA ASN D 20 0.624 5.977 -5.084 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.627 5.385 -6.645 1.00 0.00 H new ATOM 0 HB3 ASN D 20 1.416 5.108 -7.881 1.00 0.00 H new ATOM 0 HD21 ASN D 20 2.730 8.735 -7.817 1.00 0.00 H new ATOM 0 HD22 ASN D 20 3.513 7.153 -7.903 1.00 0.00 H new ATOM 844 N ASP D 21 -1.139 4.165 -7.226 1.00 0.00 N ATOM 845 CA ASP D 21 -2.476 4.010 -7.811 1.00 0.00 C ATOM 846 C ASP D 21 -3.538 3.667 -6.762 1.00 0.00 C ATOM 847 O ASP D 21 -4.657 4.194 -6.781 1.00 0.00 O ATOM 848 CB ASP D 21 -2.463 2.900 -8.862 1.00 0.00 C ATOM 849 CG ASP D 21 -3.819 2.843 -9.564 1.00 0.00 C ATOM 850 OD1 ASP D 21 -3.982 3.602 -10.545 1.00 0.00 O ATOM 851 OD2 ASP D 21 -4.613 1.904 -9.318 1.00 0.00 O ATOM 0 H ASP D 21 -0.487 3.426 -7.487 1.00 0.00 H new ATOM 0 HA ASP D 21 -2.733 4.969 -8.261 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -1.673 3.084 -9.590 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -2.246 1.942 -8.391 1.00 0.00 H new ATOM 856 N LEU D 22 -3.133 2.856 -5.781 1.00 0.00 N ATOM 857 CA LEU D 22 -3.934 2.368 -4.671 1.00 0.00 C ATOM 858 C LEU D 22 -4.549 3.506 -3.867 1.00 0.00 C ATOM 859 O LEU D 22 -5.590 3.285 -3.257 1.00 0.00 O ATOM 860 CB LEU D 22 -3.101 1.414 -3.791 1.00 0.00 C ATOM 861 CG LEU D 22 -3.708 1.028 -2.427 1.00 0.00 C ATOM 862 CD1 LEU D 22 -5.046 0.290 -2.492 1.00 0.00 C ATOM 863 CD2 LEU D 22 -2.768 0.071 -1.696 1.00 0.00 C ATOM 0 H LEU D 22 -2.176 2.505 -5.745 1.00 0.00 H new ATOM 0 HA LEU D 22 -4.772 1.802 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -2.921 0.499 -4.355 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -2.129 1.875 -3.614 1.00 0.00 H new ATOM 0 HG LEU D 22 -3.857 1.985 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -5.387 0.064 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -5.784 0.918 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -4.923 -0.639 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -3.201 -0.199 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -2.626 -0.828 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -1.805 0.557 -1.538 1.00 0.00 H new ATOM 875 N GLN D 23 -4.011 4.726 -3.926 1.00 0.00 N ATOM 876 CA GLN D 23 -4.557 5.854 -3.186 1.00 0.00 C ATOM 877 C GLN D 23 -6.071 6.009 -3.438 1.00 0.00 C ATOM 878 O GLN D 23 -6.830 6.207 -2.491 1.00 0.00 O ATOM 879 CB GLN D 23 -3.711 7.108 -3.464 1.00 0.00 C ATOM 880 CG GLN D 23 -4.013 7.841 -4.777 1.00 0.00 C ATOM 881 CD GLN D 23 -3.092 9.047 -4.922 1.00 0.00 C ATOM 882 OE1 GLN D 23 -3.439 10.151 -4.505 1.00 0.00 O ATOM 883 NE2 GLN D 23 -1.864 8.841 -5.355 1.00 0.00 N ATOM 0 H GLN D 23 -3.190 4.954 -4.486 1.00 0.00 H new ATOM 0 HA GLN D 23 -4.486 5.677 -2.113 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -3.851 7.807 -2.639 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -2.659 6.821 -3.464 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -3.876 7.165 -5.621 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -5.054 8.164 -4.792 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -1.592 7.920 -5.698 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -1.186 9.603 -5.347 1.00 0.00 H new ATOM 892 N GLN D 24 -6.532 5.800 -4.681 1.00 0.00 N ATOM 893 CA GLN D 24 -7.949 5.896 -5.037 1.00 0.00 C ATOM 894 C GLN D 24 -8.678 4.566 -4.825 1.00 0.00 C ATOM 895 O GLN D 24 -9.880 4.569 -4.565 1.00 0.00 O ATOM 896 CB GLN D 24 -8.110 6.334 -6.495 1.00 0.00 C ATOM 897 CG GLN D 24 -7.836 7.830 -6.679 1.00 0.00 C ATOM 898 CD GLN D 24 -7.860 8.173 -8.159 1.00 0.00 C ATOM 899 OE1 GLN D 24 -6.877 7.946 -8.852 1.00 0.00 O ATOM 900 NE2 GLN D 24 -8.986 8.590 -8.711 1.00 0.00 N ATOM 0 H GLN D 24 -5.928 5.559 -5.467 1.00 0.00 H new ATOM 0 HA GLN D 24 -8.394 6.642 -4.379 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -7.428 5.761 -7.123 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -9.121 6.107 -6.832 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -8.586 8.416 -6.147 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -6.867 8.088 -6.251 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -9.801 8.777 -8.127 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -9.040 8.725 -9.721 1.00 0.00 H new ATOM 909 N TYR D 25 -8.010 3.422 -4.994 1.00 0.00 N ATOM 910 CA TYR D 25 -8.620 2.104 -4.799 1.00 0.00 C ATOM 911 C TYR D 25 -9.008 1.965 -3.324 1.00 0.00 C ATOM 912 O TYR D 25 -10.141 1.597 -3.016 1.00 0.00 O ATOM 913 CB TYR D 25 -7.654 1.035 -5.327 1.00 0.00 C ATOM 914 CG TYR D 25 -7.845 -0.424 -4.948 1.00 0.00 C ATOM 915 CD1 TYR D 25 -9.104 -0.976 -4.637 1.00 0.00 C ATOM 916 CD2 TYR D 25 -6.719 -1.269 -5.000 1.00 0.00 C ATOM 917 CE1 TYR D 25 -9.221 -2.346 -4.328 1.00 0.00 C ATOM 918 CE2 TYR D 25 -6.828 -2.636 -4.699 1.00 0.00 C ATOM 919 CZ TYR D 25 -8.080 -3.180 -4.343 1.00 0.00 C ATOM 920 OH TYR D 25 -8.191 -4.499 -4.039 1.00 0.00 O ATOM 0 H TYR D 25 -7.029 3.383 -5.270 1.00 0.00 H new ATOM 0 HA TYR D 25 -9.543 1.974 -5.365 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -7.674 1.091 -6.415 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -6.651 1.322 -5.011 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -9.982 -0.347 -4.635 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -5.758 -0.859 -5.275 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -10.187 -2.760 -4.079 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -5.955 -3.270 -4.740 1.00 0.00 H new ATOM 0 HH TYR D 25 -7.310 -4.924 -4.099 1.00 0.00 H new ATOM 930 N LEU D 26 -8.145 2.406 -2.406 1.00 0.00 N ATOM 931 CA LEU D 26 -8.409 2.365 -0.971 1.00 0.00 C ATOM 932 C LEU D 26 -9.637 3.233 -0.679 1.00 0.00 C ATOM 933 O LEU D 26 -10.532 2.858 0.082 1.00 0.00 O ATOM 934 CB LEU D 26 -7.174 2.882 -0.203 1.00 0.00 C ATOM 935 CG LEU D 26 -6.745 1.911 0.901 1.00 0.00 C ATOM 936 CD1 LEU D 26 -5.401 2.341 1.490 1.00 0.00 C ATOM 937 CD2 LEU D 26 -7.777 1.827 2.024 1.00 0.00 C ATOM 0 H LEU D 26 -7.236 2.804 -2.643 1.00 0.00 H new ATOM 0 HA LEU D 26 -8.606 1.343 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.348 3.029 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -7.399 3.854 0.235 1.00 0.00 H new ATOM 0 HG LEU D 26 -6.657 0.926 0.443 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -5.107 1.643 2.274 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -4.644 2.345 0.705 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -5.492 3.342 1.911 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -7.431 1.127 2.785 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -7.909 2.812 2.471 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -8.728 1.482 1.619 1.00 0.00 H new ATOM 949 N ASN D 27 -9.716 4.368 -1.377 1.00 0.00 N ATOM 950 CA ASN D 27 -10.784 5.351 -1.291 1.00 0.00 C ATOM 951 C ASN D 27 -12.126 4.758 -1.732 1.00 0.00 C ATOM 952 O ASN D 27 -13.169 5.108 -1.172 1.00 0.00 O ATOM 953 CB ASN D 27 -10.394 6.573 -2.135 1.00 0.00 C ATOM 954 CG ASN D 27 -10.832 7.886 -1.515 1.00 0.00 C ATOM 955 OD1 ASN D 27 -11.930 8.366 -1.786 1.00 0.00 O ATOM 956 ND2 ASN D 27 -9.937 8.556 -0.812 1.00 0.00 N ATOM 0 H ASN D 27 -8.997 4.634 -2.050 1.00 0.00 H new ATOM 0 HA ASN D 27 -10.914 5.660 -0.254 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -9.312 6.584 -2.270 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -10.838 6.480 -3.126 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -10.150 9.497 -0.479 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -9.033 8.133 -0.602 1.00 0.00 H new ATOM 963 N VAL D 28 -12.117 3.866 -2.726 1.00 0.00 N ATOM 964 CA VAL D 28 -13.294 3.185 -3.257 1.00 0.00 C ATOM 965 C VAL D 28 -13.760 2.138 -2.242 1.00 0.00 C ATOM 966 O VAL D 28 -14.914 2.176 -1.817 1.00 0.00 O ATOM 967 CB VAL D 28 -12.965 2.573 -4.643 1.00 0.00 C ATOM 968 CG1 VAL D 28 -13.906 1.432 -5.056 1.00 0.00 C ATOM 969 CG2 VAL D 28 -13.030 3.655 -5.724 1.00 0.00 C ATOM 0 H VAL D 28 -11.256 3.590 -3.199 1.00 0.00 H new ATOM 0 HA VAL D 28 -14.113 3.887 -3.409 1.00 0.00 H new ATOM 0 HB VAL D 28 -11.961 2.158 -4.549 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -13.613 1.055 -6.036 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -13.844 0.627 -4.324 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -14.930 1.803 -5.101 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -12.797 3.215 -6.694 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -14.032 4.083 -5.751 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -12.307 4.439 -5.498 1.00 0.00 H new ATOM 979 N VAL D 29 -12.870 1.250 -1.791 1.00 0.00 N ATOM 980 CA VAL D 29 -13.183 0.187 -0.835 1.00 0.00 C ATOM 981 C VAL D 29 -13.828 0.759 0.429 1.00 0.00 C ATOM 982 O VAL D 29 -14.950 0.389 0.797 1.00 0.00 O ATOM 983 CB VAL D 29 -11.899 -0.611 -0.524 1.00 0.00 C ATOM 984 CG1 VAL D 29 -12.151 -1.657 0.565 1.00 0.00 C ATOM 985 CG2 VAL D 29 -11.381 -1.328 -1.775 1.00 0.00 C ATOM 0 H VAL D 29 -11.894 1.251 -2.086 1.00 0.00 H new ATOM 0 HA VAL D 29 -13.912 -0.495 -1.273 1.00 0.00 H new ATOM 0 HB VAL D 29 -11.155 0.106 -0.177 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -11.230 -2.204 0.764 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -12.482 -1.160 1.477 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -12.921 -2.352 0.231 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -10.476 -1.883 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -12.141 -2.019 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -11.157 -0.594 -2.549 1.00 0.00 H new ATOM 995 N THR D 30 -13.152 1.715 1.060 1.00 0.00 N ATOM 996 CA THR D 30 -13.615 2.364 2.280 1.00 0.00 C ATOM 997 C THR D 30 -14.811 3.281 2.060 1.00 0.00 C ATOM 998 O THR D 30 -15.430 3.737 3.028 1.00 0.00 O ATOM 999 CB THR D 30 -12.449 3.158 2.886 1.00 0.00 C ATOM 1000 OG1 THR D 30 -12.008 4.119 1.946 1.00 0.00 O ATOM 1001 CG2 THR D 30 -11.284 2.248 3.283 1.00 0.00 C ATOM 0 H THR D 30 -12.252 2.065 0.731 1.00 0.00 H new ATOM 0 HA THR D 30 -13.953 1.583 2.960 1.00 0.00 H new ATOM 0 HB THR D 30 -12.804 3.648 3.792 1.00 0.00 H new ATOM 0 HG1 THR D 30 -11.584 4.866 2.417 1.00 0.00 H new ATOM 0 HG21 THR D 30 -10.480 2.850 3.707 1.00 0.00 H new ATOM 0 HG22 THR D 30 -11.624 1.523 4.023 1.00 0.00 H new ATOM 0 HG23 THR D 30 -10.917 1.722 2.402 1.00 0.00 H new ATOM 1009 N ARG D 31 -15.171 3.498 0.794 1.00 0.00 N ATOM 1010 CA ARG D 31 -16.242 4.370 0.334 1.00 0.00 C ATOM 1011 C ARG D 31 -16.052 5.719 1.042 1.00 0.00 C ATOM 1012 O ARG D 31 -16.952 6.233 1.712 1.00 0.00 O ATOM 1013 CB ARG D 31 -17.602 3.671 0.458 1.00 0.00 C ATOM 1014 CG ARG D 31 -18.716 4.488 -0.208 1.00 0.00 C ATOM 1015 CD ARG D 31 -20.086 3.847 0.013 1.00 0.00 C ATOM 1016 NE ARG D 31 -21.150 4.833 -0.224 1.00 0.00 N ATOM 1017 CZ ARG D 31 -21.679 5.654 0.693 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -21.323 5.584 1.975 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -22.570 6.552 0.314 1.00 0.00 N ATOM 0 H ARG D 31 -14.691 3.040 0.019 1.00 0.00 H new ATOM 0 HA ARG D 31 -16.208 4.589 -0.733 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.548 2.684 -0.002 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -17.840 3.520 1.511 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -18.717 5.501 0.195 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -18.519 4.571 -1.277 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -20.211 2.997 -0.658 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -20.156 3.462 1.030 1.00 0.00 H new ATOM 0 HE ARG D 31 -21.519 4.898 -1.173 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -20.634 4.895 2.276 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -21.739 6.220 2.655 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -22.847 6.614 -0.666 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -22.981 7.184 1.001 1.00 0.00 H new ATOM 1033 N HIS D 32 -14.802 6.189 0.980 1.00 0.00 N ATOM 1034 CA HIS D 32 -14.254 7.408 1.543 1.00 0.00 C ATOM 1035 C HIS D 32 -14.770 7.653 2.961 1.00 0.00 C ATOM 1036 O HIS D 32 -15.499 8.609 3.224 1.00 0.00 O ATOM 1037 CB HIS D 32 -14.485 8.575 0.579 1.00 0.00 C ATOM 1038 CG HIS D 32 -13.705 9.805 0.958 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -14.232 11.054 1.179 1.00 0.00 N ATOM 1040 CD2 HIS D 32 -12.357 9.876 1.183 1.00 0.00 C ATOM 1041 CE1 HIS D 32 -13.219 11.867 1.519 1.00 0.00 C ATOM 1042 NE2 HIS D 32 -12.057 11.191 1.533 1.00 0.00 N ATOM 0 H HIS D 32 -14.083 5.665 0.481 1.00 0.00 H new ATOM 0 HA HIS D 32 -13.175 7.306 1.655 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -14.205 8.269 -0.429 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -15.548 8.817 0.556 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -11.653 9.061 1.104 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -13.323 12.917 1.749 1.00 0.00 H new ATOM 0 HE2 HIS D 32 -11.136 11.567 1.756 1.00 0.00 H new ATOM 1050 N ARG D 33 -14.372 6.785 3.893 1.00 0.00 N ATOM 1051 CA ARG D 33 -14.768 6.863 5.304 1.00 0.00 C ATOM 1052 C ARG D 33 -13.562 6.661 6.228 1.00 0.00 C ATOM 1053 O ARG D 33 -13.704 6.183 7.353 1.00 0.00 O ATOM 1054 CB ARG D 33 -15.918 5.862 5.517 1.00 0.00 C ATOM 1055 CG ARG D 33 -16.704 6.142 6.805 1.00 0.00 C ATOM 1056 CD ARG D 33 -18.174 5.738 6.669 1.00 0.00 C ATOM 1057 NE ARG D 33 -18.865 5.908 7.950 1.00 0.00 N ATOM 1058 CZ ARG D 33 -20.064 5.424 8.270 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -20.905 4.947 7.358 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -20.428 5.408 9.539 1.00 0.00 N ATOM 0 H ARG D 33 -13.757 5.997 3.688 1.00 0.00 H new ATOM 0 HA ARG D 33 -15.136 7.855 5.566 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -16.596 5.904 4.664 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -15.514 4.850 5.553 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -16.252 5.597 7.633 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -16.639 7.203 7.048 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -18.657 6.346 5.904 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -18.245 4.700 6.344 1.00 0.00 H new ATOM 0 HE ARG D 33 -18.381 6.449 8.666 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -20.641 4.943 6.373 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -21.815 4.585 7.643 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -19.795 5.763 10.256 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -21.342 5.041 9.803 1.00 0.00 H new ATOM 1074 N TYR D 34 -12.367 6.906 5.696 1.00 0.00 N ATOM 1075 CA TYR D 34 -11.072 6.779 6.337 1.00 0.00 C ATOM 1076 C TYR D 34 -10.333 8.103 6.194 1.00 0.00 C ATOM 1077 O TYR D 34 -10.663 8.921 5.337 1.00 0.00 O ATOM 1078 CB TYR D 34 -10.282 5.628 5.682 1.00 0.00 C ATOM 1079 CG TYR D 34 -9.664 5.934 4.324 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -10.459 6.367 3.248 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -8.277 5.798 4.133 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -9.882 6.674 2.010 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -7.701 6.041 2.875 1.00 0.00 C ATOM 1084 CZ TYR D 34 -8.501 6.485 1.800 1.00 0.00 C ATOM 1085 OH TYR D 34 -7.961 6.774 0.587 1.00 0.00 O ATOM 0 H TYR D 34 -12.278 7.223 4.730 1.00 0.00 H new ATOM 0 HA TYR D 34 -11.187 6.547 7.396 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -9.486 5.326 6.362 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -10.948 4.772 5.572 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -11.527 6.464 3.378 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -7.649 5.504 4.961 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -10.499 7.058 1.211 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -6.642 5.888 2.730 1.00 0.00 H new ATOM 0 HH TYR D 34 -6.999 6.590 0.605 1.00 0.00 H new