USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=10 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= -2.26! K(o=-3.7!,f=-1.3) USER MOD Set 1.2: D 32 HIS : no HE2:sc= -1.38! C(o=-3.7!,f=-1.3!) USER MOD Set 1.3: D 34 TYR OH : rot 180:sc= -0.0906 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= 0.539 K(o=0.54,f=0) USER MOD Single : C 24 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : C 25 TYR OH : rot 180:sc= 0 USER MOD Single : C 27 ASN : amide:sc= -0.0081 X(o=-0.0081,f=-0.39) USER MOD Single : C 30 THR OG1 : rot 50:sc= 0 USER MOD Single : C 32 HIS : no HE2:sc= 0.049 K(o=0.049,f=-0.82) USER MOD Single : C 34 TYR OH : rot 180:sc= -0.0252 USER MOD Single : D 19 TYR OH : rot -47:sc= 0.176 USER MOD Single : D 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 23 GLN : amide:sc= -0.627 K(o=-0.63,f=-0.0018) USER MOD Single : D 24 GLN : amide:sc= -0.0309 K(o=-0.031,f=-0.74) USER MOD Single : D 25 TYR OH : rot 180:sc= 0 USER MOD Single : D 30 THR OG1 : rot 180:sc=0.000723 USER MOD ----------------------------------------------------------------- ATOM 121 N PRO C 11 -7.730 -7.106 7.811 1.00 0.00 N ATOM 122 CA PRO C 11 -8.956 -6.328 7.936 1.00 0.00 C ATOM 123 C PRO C 11 -8.748 -4.928 7.357 1.00 0.00 C ATOM 124 O PRO C 11 -7.877 -4.181 7.807 1.00 0.00 O ATOM 125 CB PRO C 11 -9.300 -6.316 9.429 1.00 0.00 C ATOM 126 CG PRO C 11 -7.970 -6.627 10.116 1.00 0.00 C ATOM 127 CD PRO C 11 -7.260 -7.529 9.121 1.00 0.00 C ATOM 0 HA PRO C 11 -9.785 -6.757 7.374 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -9.694 -5.348 9.740 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -10.058 -7.061 9.670 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -7.399 -5.720 10.314 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -8.120 -7.125 11.074 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -6.178 -7.427 9.202 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -7.496 -8.577 9.303 1.00 0.00 H new ATOM 135 N VAL C 12 -9.590 -4.553 6.397 1.00 0.00 N ATOM 136 CA VAL C 12 -9.543 -3.267 5.711 1.00 0.00 C ATOM 137 C VAL C 12 -9.613 -2.056 6.645 1.00 0.00 C ATOM 138 O VAL C 12 -9.109 -0.998 6.269 1.00 0.00 O ATOM 139 CB VAL C 12 -10.645 -3.205 4.640 1.00 0.00 C ATOM 140 CG1 VAL C 12 -10.264 -4.085 3.445 1.00 0.00 C ATOM 141 CG2 VAL C 12 -12.034 -3.601 5.171 1.00 0.00 C ATOM 0 H VAL C 12 -10.345 -5.154 6.066 1.00 0.00 H new ATOM 0 HA VAL C 12 -8.563 -3.205 5.237 1.00 0.00 H new ATOM 0 HB VAL C 12 -10.720 -2.163 4.328 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -11.050 -4.035 2.691 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -9.327 -3.730 3.016 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -10.144 -5.116 3.776 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -12.764 -3.535 4.364 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -12.001 -4.623 5.549 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -12.322 -2.925 5.977 1.00 0.00 H new ATOM 151 N GLU C 13 -10.292 -2.148 7.790 1.00 0.00 N ATOM 152 CA GLU C 13 -10.391 -1.035 8.730 1.00 0.00 C ATOM 153 C GLU C 13 -9.003 -0.759 9.310 1.00 0.00 C ATOM 154 O GLU C 13 -8.549 0.383 9.289 1.00 0.00 O ATOM 155 CB GLU C 13 -11.397 -1.414 9.821 1.00 0.00 C ATOM 156 CG GLU C 13 -11.639 -0.344 10.893 1.00 0.00 C ATOM 157 CD GLU C 13 -12.674 0.692 10.474 1.00 0.00 C ATOM 158 OE1 GLU C 13 -12.567 1.282 9.377 1.00 0.00 O ATOM 159 OE2 GLU C 13 -13.655 0.869 11.234 1.00 0.00 O ATOM 0 H GLU C 13 -10.784 -2.990 8.088 1.00 0.00 H new ATOM 0 HA GLU C 13 -10.740 -0.126 8.239 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -12.349 -1.651 9.347 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -11.050 -2.324 10.311 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -11.968 -0.827 11.813 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -10.698 0.159 11.116 1.00 0.00 H new ATOM 166 N ASP C 14 -8.320 -1.790 9.814 1.00 0.00 N ATOM 167 CA ASP C 14 -6.980 -1.661 10.385 1.00 0.00 C ATOM 168 C ASP C 14 -6.014 -1.205 9.303 1.00 0.00 C ATOM 169 O ASP C 14 -5.180 -0.332 9.557 1.00 0.00 O ATOM 170 CB ASP C 14 -6.453 -3.000 10.909 1.00 0.00 C ATOM 171 CG ASP C 14 -7.169 -3.529 12.143 1.00 0.00 C ATOM 172 OD1 ASP C 14 -8.318 -4.006 12.009 1.00 0.00 O ATOM 173 OD2 ASP C 14 -6.533 -3.590 13.219 1.00 0.00 O ATOM 0 H ASP C 14 -8.685 -2.742 9.837 1.00 0.00 H new ATOM 0 HA ASP C 14 -7.048 -0.946 11.205 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -6.532 -3.742 10.114 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -5.393 -2.892 11.140 1.00 0.00 H new ATOM 178 N LEU C 15 -6.178 -1.765 8.095 1.00 0.00 N ATOM 179 CA LEU C 15 -5.356 -1.465 6.938 1.00 0.00 C ATOM 180 C LEU C 15 -5.325 0.030 6.661 1.00 0.00 C ATOM 181 O LEU C 15 -4.261 0.503 6.303 1.00 0.00 O ATOM 182 CB LEU C 15 -5.812 -2.257 5.702 1.00 0.00 C ATOM 183 CG LEU C 15 -4.735 -2.252 4.596 1.00 0.00 C ATOM 184 CD1 LEU C 15 -3.638 -3.280 4.880 1.00 0.00 C ATOM 185 CD2 LEU C 15 -5.333 -2.563 3.225 1.00 0.00 C ATOM 0 H LEU C 15 -6.906 -2.453 7.903 1.00 0.00 H new ATOM 0 HA LEU C 15 -4.338 -1.780 7.166 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -6.035 -3.285 5.989 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -6.735 -1.827 5.314 1.00 0.00 H new ATOM 0 HG LEU C 15 -4.310 -1.248 4.591 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -2.896 -3.250 4.082 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -3.158 -3.047 5.831 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -4.077 -4.276 4.930 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -4.544 -2.550 2.473 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -5.799 -3.548 3.246 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -6.083 -1.812 2.977 1.00 0.00 H new ATOM 197 N ILE C 16 -6.405 0.785 6.885 1.00 0.00 N ATOM 198 CA ILE C 16 -6.427 2.230 6.642 1.00 0.00 C ATOM 199 C ILE C 16 -5.392 2.940 7.523 1.00 0.00 C ATOM 200 O ILE C 16 -4.733 3.871 7.053 1.00 0.00 O ATOM 201 CB ILE C 16 -7.867 2.759 6.843 1.00 0.00 C ATOM 202 CG1 ILE C 16 -8.794 2.333 5.684 1.00 0.00 C ATOM 203 CG2 ILE C 16 -7.967 4.273 7.067 1.00 0.00 C ATOM 204 CD1 ILE C 16 -8.608 3.077 4.354 1.00 0.00 C ATOM 0 H ILE C 16 -7.286 0.413 7.239 1.00 0.00 H new ATOM 0 HA ILE C 16 -6.142 2.444 5.612 1.00 0.00 H new ATOM 0 HB ILE C 16 -8.202 2.293 7.770 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -8.648 1.268 5.503 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -9.827 2.463 6.007 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -9.012 4.553 7.198 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -7.403 4.547 7.959 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -7.557 4.796 6.203 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -9.314 2.690 3.619 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -8.787 4.142 4.504 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -7.590 2.928 3.993 1.00 0.00 H new ATOM 216 N ARG C 17 -5.303 2.577 8.806 1.00 0.00 N ATOM 217 CA ARG C 17 -4.354 3.184 9.739 1.00 0.00 C ATOM 218 C ARG C 17 -2.938 2.804 9.325 1.00 0.00 C ATOM 219 O ARG C 17 -2.092 3.661 9.083 1.00 0.00 O ATOM 220 CB ARG C 17 -4.684 2.719 11.176 1.00 0.00 C ATOM 221 CG ARG C 17 -4.292 3.781 12.214 1.00 0.00 C ATOM 222 CD ARG C 17 -5.456 4.767 12.350 1.00 0.00 C ATOM 223 NE ARG C 17 -5.037 6.114 12.759 1.00 0.00 N ATOM 224 CZ ARG C 17 -5.815 7.191 12.587 1.00 0.00 C ATOM 225 NH1 ARG C 17 -7.108 7.042 12.305 1.00 0.00 N ATOM 226 NH2 ARG C 17 -5.314 8.410 12.729 1.00 0.00 N ATOM 0 H ARG C 17 -5.888 1.854 9.225 1.00 0.00 H new ATOM 0 HA ARG C 17 -4.430 4.271 9.717 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -5.750 2.507 11.255 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -4.157 1.789 11.389 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -4.076 3.313 13.174 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -3.387 4.302 11.902 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -5.980 4.832 11.397 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -6.167 4.379 13.079 1.00 0.00 H new ATOM 0 HE ARG C 17 -4.120 6.234 13.190 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -7.507 6.107 12.220 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -7.699 7.863 12.174 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -4.331 8.532 12.971 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -5.912 9.226 12.597 1.00 0.00 H new ATOM 240 N PHE C 18 -2.728 1.501 9.180 1.00 0.00 N ATOM 241 CA PHE C 18 -1.484 0.866 8.790 1.00 0.00 C ATOM 242 C PHE C 18 -0.941 1.457 7.486 1.00 0.00 C ATOM 243 O PHE C 18 0.230 1.801 7.414 1.00 0.00 O ATOM 244 CB PHE C 18 -1.808 -0.630 8.708 1.00 0.00 C ATOM 245 CG PHE C 18 -0.847 -1.517 7.964 1.00 0.00 C ATOM 246 CD1 PHE C 18 -1.005 -1.716 6.582 1.00 0.00 C ATOM 247 CD2 PHE C 18 0.134 -2.229 8.670 1.00 0.00 C ATOM 248 CE1 PHE C 18 -0.177 -2.626 5.905 1.00 0.00 C ATOM 249 CE2 PHE C 18 0.971 -3.124 7.992 1.00 0.00 C ATOM 250 CZ PHE C 18 0.812 -3.327 6.613 1.00 0.00 C ATOM 0 H PHE C 18 -3.471 0.821 9.343 1.00 0.00 H new ATOM 0 HA PHE C 18 -0.680 1.037 9.506 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -1.895 -1.010 9.726 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -2.789 -0.735 8.244 1.00 0.00 H new ATOM 0 HD1 PHE C 18 -1.763 -1.169 6.041 1.00 0.00 H new ATOM 0 HD2 PHE C 18 0.244 -2.087 9.735 1.00 0.00 H new ATOM 0 HE1 PHE C 18 -0.301 -2.786 4.844 1.00 0.00 H new ATOM 0 HE2 PHE C 18 1.739 -3.658 8.531 1.00 0.00 H new ATOM 0 HZ PHE C 18 1.453 -4.025 6.094 1.00 0.00 H new ATOM 260 N TYR C 19 -1.794 1.618 6.474 1.00 0.00 N ATOM 261 CA TYR C 19 -1.517 2.153 5.146 1.00 0.00 C ATOM 262 C TYR C 19 -0.881 3.540 5.211 1.00 0.00 C ATOM 263 O TYR C 19 -0.012 3.862 4.397 1.00 0.00 O ATOM 264 CB TYR C 19 -2.841 2.206 4.365 1.00 0.00 C ATOM 265 CG TYR C 19 -2.812 3.074 3.133 1.00 0.00 C ATOM 266 CD1 TYR C 19 -1.926 2.776 2.088 1.00 0.00 C ATOM 267 CD2 TYR C 19 -3.654 4.196 3.057 1.00 0.00 C ATOM 268 CE1 TYR C 19 -1.830 3.652 0.991 1.00 0.00 C ATOM 269 CE2 TYR C 19 -3.594 5.053 1.945 1.00 0.00 C ATOM 270 CZ TYR C 19 -2.666 4.791 0.914 1.00 0.00 C ATOM 271 OH TYR C 19 -2.567 5.647 -0.143 1.00 0.00 O ATOM 0 H TYR C 19 -2.775 1.356 6.573 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.801 1.503 4.643 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -3.115 1.192 4.072 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -3.625 2.569 5.030 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -1.322 1.881 2.125 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -4.350 4.401 3.857 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -1.116 3.454 0.205 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -4.253 5.906 1.880 1.00 0.00 H new ATOM 0 HH TYR C 19 -3.215 6.374 -0.037 1.00 0.00 H new ATOM 281 N ASN C 20 -1.341 4.373 6.143 1.00 0.00 N ATOM 282 CA ASN C 20 -0.821 5.718 6.305 1.00 0.00 C ATOM 283 C ASN C 20 0.645 5.643 6.701 1.00 0.00 C ATOM 284 O ASN C 20 1.502 6.146 5.977 1.00 0.00 O ATOM 285 CB ASN C 20 -1.658 6.477 7.341 1.00 0.00 C ATOM 286 CG ASN C 20 -1.734 7.950 6.990 1.00 0.00 C ATOM 287 OD1 ASN C 20 -0.729 8.653 6.978 1.00 0.00 O ATOM 288 ND2 ASN C 20 -2.897 8.410 6.565 1.00 0.00 N ATOM 0 H ASN C 20 -2.081 4.130 6.801 1.00 0.00 H new ATOM 0 HA ASN C 20 -0.889 6.266 5.365 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -2.662 6.056 7.384 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -1.218 6.356 8.331 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -2.971 9.366 6.218 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -3.721 7.809 6.583 1.00 0.00 H new ATOM 295 N ASP C 21 0.945 4.886 7.756 1.00 0.00 N ATOM 296 CA ASP C 21 2.313 4.715 8.256 1.00 0.00 C ATOM 297 C ASP C 21 3.191 3.950 7.255 1.00 0.00 C ATOM 298 O ASP C 21 4.403 4.176 7.169 1.00 0.00 O ATOM 299 CB ASP C 21 2.305 3.942 9.582 1.00 0.00 C ATOM 300 CG ASP C 21 1.779 4.711 10.791 1.00 0.00 C ATOM 301 OD1 ASP C 21 1.264 5.840 10.681 1.00 0.00 O ATOM 302 OD2 ASP C 21 1.806 4.104 11.891 1.00 0.00 O ATOM 0 H ASP C 21 0.245 4.372 8.291 1.00 0.00 H new ATOM 0 HA ASP C 21 2.726 5.713 8.401 1.00 0.00 H new ATOM 0 HB2 ASP C 21 1.701 3.044 9.454 1.00 0.00 H new ATOM 0 HB3 ASP C 21 3.322 3.614 9.797 1.00 0.00 H new ATOM 307 N LEU C 22 2.587 3.072 6.451 1.00 0.00 N ATOM 308 CA LEU C 22 3.249 2.250 5.438 1.00 0.00 C ATOM 309 C LEU C 22 3.883 3.085 4.331 1.00 0.00 C ATOM 310 O LEU C 22 4.722 2.558 3.596 1.00 0.00 O ATOM 311 CB LEU C 22 2.239 1.262 4.823 1.00 0.00 C ATOM 312 CG LEU C 22 2.543 -0.230 5.023 1.00 0.00 C ATOM 313 CD1 LEU C 22 3.790 -0.691 4.268 1.00 0.00 C ATOM 314 CD2 LEU C 22 2.698 -0.605 6.503 1.00 0.00 C ATOM 0 H LEU C 22 1.581 2.908 6.491 1.00 0.00 H new ATOM 0 HA LEU C 22 4.051 1.708 5.939 1.00 0.00 H new ATOM 0 HB2 LEU C 22 1.256 1.471 5.244 1.00 0.00 H new ATOM 0 HB3 LEU C 22 2.176 1.458 3.753 1.00 0.00 H new ATOM 0 HG LEU C 22 1.674 -0.744 4.612 1.00 0.00 H new ATOM 0 HD11 LEU C 22 3.953 -1.754 4.449 1.00 0.00 H new ATOM 0 HD12 LEU C 22 3.652 -0.521 3.200 1.00 0.00 H new ATOM 0 HD13 LEU C 22 4.655 -0.127 4.616 1.00 0.00 H new ATOM 0 HD21 LEU C 22 2.912 -1.670 6.588 1.00 0.00 H new ATOM 0 HD22 LEU C 22 3.518 -0.034 6.939 1.00 0.00 H new ATOM 0 HD23 LEU C 22 1.774 -0.377 7.035 1.00 0.00 H new ATOM 326 N GLN C 23 3.515 4.364 4.205 1.00 0.00 N ATOM 327 CA GLN C 23 4.074 5.238 3.188 1.00 0.00 C ATOM 328 C GLN C 23 5.598 5.330 3.358 1.00 0.00 C ATOM 329 O GLN C 23 6.335 5.255 2.369 1.00 0.00 O ATOM 330 CB GLN C 23 3.361 6.604 3.212 1.00 0.00 C ATOM 331 CG GLN C 23 3.799 7.555 4.338 1.00 0.00 C ATOM 332 CD GLN C 23 2.925 8.807 4.417 1.00 0.00 C ATOM 333 OE1 GLN C 23 3.415 9.925 4.286 1.00 0.00 O ATOM 334 NE2 GLN C 23 1.642 8.662 4.689 1.00 0.00 N ATOM 0 H GLN C 23 2.824 4.814 4.806 1.00 0.00 H new ATOM 0 HA GLN C 23 3.900 4.824 2.195 1.00 0.00 H new ATOM 0 HB2 GLN C 23 3.528 7.099 2.255 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.288 6.434 3.300 1.00 0.00 H new ATOM 0 HG2 GLN C 23 3.760 7.027 5.291 1.00 0.00 H new ATOM 0 HG3 GLN C 23 4.836 7.849 4.179 1.00 0.00 H new ATOM 0 HE21 GLN C 23 1.246 7.728 4.796 1.00 0.00 H new ATOM 0 HE22 GLN C 23 1.047 9.484 4.793 1.00 0.00 H new ATOM 343 N GLN C 24 6.086 5.396 4.607 1.00 0.00 N ATOM 344 CA GLN C 24 7.518 5.489 4.849 1.00 0.00 C ATOM 345 C GLN C 24 8.218 4.144 4.624 1.00 0.00 C ATOM 346 O GLN C 24 9.412 4.148 4.337 1.00 0.00 O ATOM 347 CB GLN C 24 7.841 6.131 6.206 1.00 0.00 C ATOM 348 CG GLN C 24 9.298 6.639 6.222 1.00 0.00 C ATOM 349 CD GLN C 24 9.653 7.467 7.452 1.00 0.00 C ATOM 350 OE1 GLN C 24 8.846 8.243 7.959 1.00 0.00 O ATOM 351 NE2 GLN C 24 10.888 7.401 7.912 1.00 0.00 N ATOM 0 H GLN C 24 5.511 5.386 5.449 1.00 0.00 H new ATOM 0 HA GLN C 24 7.931 6.171 4.106 1.00 0.00 H new ATOM 0 HB2 GLN C 24 7.158 6.958 6.397 1.00 0.00 H new ATOM 0 HB3 GLN C 24 7.693 5.404 7.005 1.00 0.00 H new ATOM 0 HG2 GLN C 24 9.971 5.783 6.166 1.00 0.00 H new ATOM 0 HG3 GLN C 24 9.472 7.240 5.330 1.00 0.00 H new ATOM 0 HE21 GLN C 24 11.556 6.756 7.489 1.00 0.00 H new ATOM 0 HE22 GLN C 24 11.175 7.995 8.690 1.00 0.00 H new ATOM 360 N TYR C 25 7.515 3.004 4.670 1.00 0.00 N ATOM 361 CA TYR C 25 8.148 1.707 4.428 1.00 0.00 C ATOM 362 C TYR C 25 8.717 1.755 3.013 1.00 0.00 C ATOM 363 O TYR C 25 9.923 1.606 2.813 1.00 0.00 O ATOM 364 CB TYR C 25 7.142 0.556 4.585 1.00 0.00 C ATOM 365 CG TYR C 25 7.727 -0.850 4.523 1.00 0.00 C ATOM 366 CD1 TYR C 25 8.703 -1.231 5.462 1.00 0.00 C ATOM 367 CD2 TYR C 25 7.259 -1.805 3.590 1.00 0.00 C ATOM 368 CE1 TYR C 25 9.200 -2.543 5.487 1.00 0.00 C ATOM 369 CE2 TYR C 25 7.767 -3.119 3.604 1.00 0.00 C ATOM 370 CZ TYR C 25 8.722 -3.503 4.573 1.00 0.00 C ATOM 371 OH TYR C 25 9.215 -4.773 4.583 1.00 0.00 O ATOM 0 H TYR C 25 6.516 2.957 4.871 1.00 0.00 H new ATOM 0 HA TYR C 25 8.937 1.521 5.157 1.00 0.00 H new ATOM 0 HB2 TYR C 25 6.630 0.674 5.540 1.00 0.00 H new ATOM 0 HB3 TYR C 25 6.387 0.650 3.804 1.00 0.00 H new ATOM 0 HD1 TYR C 25 9.074 -0.506 6.171 1.00 0.00 H new ATOM 0 HD2 TYR C 25 6.509 -1.526 2.864 1.00 0.00 H new ATOM 0 HE1 TYR C 25 9.953 -2.818 6.211 1.00 0.00 H new ATOM 0 HE2 TYR C 25 7.426 -3.836 2.872 1.00 0.00 H new ATOM 0 HH TYR C 25 8.772 -5.301 3.887 1.00 0.00 H new ATOM 381 N LEU C 26 7.860 2.097 2.041 1.00 0.00 N ATOM 382 CA LEU C 26 8.228 2.213 0.633 1.00 0.00 C ATOM 383 C LEU C 26 9.294 3.283 0.427 1.00 0.00 C ATOM 384 O LEU C 26 10.078 3.192 -0.517 1.00 0.00 O ATOM 385 CB LEU C 26 6.992 2.513 -0.220 1.00 0.00 C ATOM 386 CG LEU C 26 6.057 1.303 -0.388 1.00 0.00 C ATOM 387 CD1 LEU C 26 4.892 1.709 -1.279 1.00 0.00 C ATOM 388 CD2 LEU C 26 6.733 0.069 -1.000 1.00 0.00 C ATOM 0 H LEU C 26 6.877 2.303 2.219 1.00 0.00 H new ATOM 0 HA LEU C 26 8.648 1.258 0.315 1.00 0.00 H new ATOM 0 HB2 LEU C 26 6.436 3.332 0.235 1.00 0.00 H new ATOM 0 HB3 LEU C 26 7.313 2.854 -1.204 1.00 0.00 H new ATOM 0 HG LEU C 26 5.733 1.018 0.613 1.00 0.00 H new ATOM 0 HD11 LEU C 26 4.220 0.861 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU C 26 4.351 2.534 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU C 26 5.270 2.023 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU C 26 6.007 -0.739 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU C 26 7.116 0.317 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU C 26 7.557 -0.249 -0.361 1.00 0.00 H new ATOM 400 N ASN C 27 9.304 4.319 1.270 1.00 0.00 N ATOM 401 CA ASN C 27 10.292 5.387 1.206 1.00 0.00 C ATOM 402 C ASN C 27 11.678 4.763 1.366 1.00 0.00 C ATOM 403 O ASN C 27 12.565 5.051 0.569 1.00 0.00 O ATOM 404 CB ASN C 27 9.996 6.449 2.271 1.00 0.00 C ATOM 405 CG ASN C 27 10.719 7.750 1.992 1.00 0.00 C ATOM 406 OD1 ASN C 27 11.933 7.845 2.163 1.00 0.00 O ATOM 407 ND2 ASN C 27 9.969 8.781 1.650 1.00 0.00 N ATOM 0 H ASN C 27 8.621 4.436 2.018 1.00 0.00 H new ATOM 0 HA ASN C 27 10.252 5.899 0.244 1.00 0.00 H new ATOM 0 HB2 ASN C 27 8.922 6.632 2.311 1.00 0.00 H new ATOM 0 HB3 ASN C 27 10.292 6.073 3.250 1.00 0.00 H new ATOM 0 HD21 ASN C 27 10.394 9.699 1.518 1.00 0.00 H new ATOM 0 HD22 ASN C 27 8.965 8.660 1.518 1.00 0.00 H new ATOM 414 N VAL C 28 11.839 3.821 2.301 1.00 0.00 N ATOM 415 CA VAL C 28 13.106 3.139 2.530 1.00 0.00 C ATOM 416 C VAL C 28 13.377 2.103 1.431 1.00 0.00 C ATOM 417 O VAL C 28 14.525 2.019 0.982 1.00 0.00 O ATOM 418 CB VAL C 28 13.126 2.473 3.923 1.00 0.00 C ATOM 419 CG1 VAL C 28 14.504 1.848 4.197 1.00 0.00 C ATOM 420 CG2 VAL C 28 12.804 3.473 5.043 1.00 0.00 C ATOM 0 H VAL C 28 11.089 3.513 2.919 1.00 0.00 H new ATOM 0 HA VAL C 28 13.900 3.885 2.496 1.00 0.00 H new ATOM 0 HB VAL C 28 12.357 1.701 3.917 1.00 0.00 H new ATOM 0 HG11 VAL C 28 14.503 1.382 5.183 1.00 0.00 H new ATOM 0 HG12 VAL C 28 14.719 1.094 3.440 1.00 0.00 H new ATOM 0 HG13 VAL C 28 15.269 2.624 4.163 1.00 0.00 H new ATOM 0 HG21 VAL C 28 12.829 2.962 6.005 1.00 0.00 H new ATOM 0 HG22 VAL C 28 13.543 4.275 5.039 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.811 3.893 4.881 1.00 0.00 H new ATOM 430 N VAL C 29 12.353 1.371 0.955 1.00 0.00 N ATOM 431 CA VAL C 29 12.476 0.336 -0.082 1.00 0.00 C ATOM 432 C VAL C 29 13.337 0.823 -1.244 1.00 0.00 C ATOM 433 O VAL C 29 14.414 0.267 -1.468 1.00 0.00 O ATOM 434 CB VAL C 29 11.099 -0.190 -0.557 1.00 0.00 C ATOM 435 CG1 VAL C 29 11.226 -1.268 -1.640 1.00 0.00 C ATOM 436 CG2 VAL C 29 10.327 -0.872 0.569 1.00 0.00 C ATOM 0 H VAL C 29 11.397 1.487 1.290 1.00 0.00 H new ATOM 0 HA VAL C 29 12.985 -0.515 0.370 1.00 0.00 H new ATOM 0 HB VAL C 29 10.588 0.698 -0.928 1.00 0.00 H new ATOM 0 HG11 VAL C 29 10.233 -1.603 -1.938 1.00 0.00 H new ATOM 0 HG12 VAL C 29 11.745 -0.855 -2.505 1.00 0.00 H new ATOM 0 HG13 VAL C 29 11.791 -2.113 -1.247 1.00 0.00 H new ATOM 0 HG21 VAL C 29 9.368 -1.225 0.191 1.00 0.00 H new ATOM 0 HG22 VAL C 29 10.903 -1.718 0.944 1.00 0.00 H new ATOM 0 HG23 VAL C 29 10.158 -0.161 1.377 1.00 0.00 H new ATOM 446 N THR C 30 12.941 1.908 -1.909 1.00 0.00 N ATOM 447 CA THR C 30 13.696 2.459 -3.031 1.00 0.00 C ATOM 448 C THR C 30 14.444 3.732 -2.647 1.00 0.00 C ATOM 449 O THR C 30 14.810 4.525 -3.512 1.00 0.00 O ATOM 450 CB THR C 30 12.804 2.563 -4.272 1.00 0.00 C ATOM 451 OG1 THR C 30 11.609 3.234 -3.932 1.00 0.00 O ATOM 452 CG2 THR C 30 12.456 1.165 -4.805 1.00 0.00 C ATOM 0 H THR C 30 12.092 2.427 -1.686 1.00 0.00 H new ATOM 0 HA THR C 30 14.495 1.770 -3.306 1.00 0.00 H new ATOM 0 HB THR C 30 13.342 3.114 -5.044 1.00 0.00 H new ATOM 0 HG1 THR C 30 11.824 4.064 -3.457 1.00 0.00 H new ATOM 0 HG21 THR C 30 11.822 1.259 -5.687 1.00 0.00 H new ATOM 0 HG22 THR C 30 13.373 0.639 -5.072 1.00 0.00 H new ATOM 0 HG23 THR C 30 11.926 0.604 -4.035 1.00 0.00 H new ATOM 460 N ARG C 31 14.654 3.955 -1.343 1.00 0.00 N ATOM 461 CA ARG C 31 15.364 5.106 -0.786 1.00 0.00 C ATOM 462 C ARG C 31 14.881 6.439 -1.385 1.00 0.00 C ATOM 463 O ARG C 31 15.672 7.353 -1.626 1.00 0.00 O ATOM 464 CB ARG C 31 16.863 4.835 -0.971 1.00 0.00 C ATOM 465 CG ARG C 31 17.717 5.502 0.112 1.00 0.00 C ATOM 466 CD ARG C 31 19.205 5.272 -0.180 1.00 0.00 C ATOM 467 NE ARG C 31 19.600 5.845 -1.476 1.00 0.00 N ATOM 468 CZ ARG C 31 19.665 7.148 -1.766 1.00 0.00 C ATOM 469 NH1 ARG C 31 19.570 8.068 -0.812 1.00 0.00 N ATOM 470 NH2 ARG C 31 19.824 7.526 -3.024 1.00 0.00 N ATOM 0 H ARG C 31 14.321 3.313 -0.624 1.00 0.00 H new ATOM 0 HA ARG C 31 15.152 5.222 0.277 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.039 3.759 -0.957 1.00 0.00 H new ATOM 0 HB3 ARG C 31 17.176 5.197 -1.950 1.00 0.00 H new ATOM 0 HG2 ARG C 31 17.505 6.571 0.147 1.00 0.00 H new ATOM 0 HG3 ARG C 31 17.462 5.094 1.090 1.00 0.00 H new ATOM 0 HD2 ARG C 31 19.805 5.718 0.613 1.00 0.00 H new ATOM 0 HD3 ARG C 31 19.416 4.203 -0.176 1.00 0.00 H new ATOM 0 HE ARG C 31 19.846 5.190 -2.219 1.00 0.00 H new ATOM 0 HH11 ARG C 31 19.445 7.784 0.160 1.00 0.00 H new ATOM 0 HH12 ARG C 31 19.622 9.058 -1.051 1.00 0.00 H new ATOM 0 HH21 ARG C 31 19.896 6.825 -3.762 1.00 0.00 H new ATOM 0 HH22 ARG C 31 19.875 8.518 -3.256 1.00 0.00 H new ATOM 484 N HIS C 32 13.575 6.528 -1.636 1.00 0.00 N ATOM 485 CA HIS C 32 12.859 7.659 -2.207 1.00 0.00 C ATOM 486 C HIS C 32 13.335 8.041 -3.618 1.00 0.00 C ATOM 487 O HIS C 32 13.297 9.208 -3.992 1.00 0.00 O ATOM 488 CB HIS C 32 12.802 8.827 -1.211 1.00 0.00 C ATOM 489 CG HIS C 32 11.737 9.848 -1.531 1.00 0.00 C ATOM 490 ND1 HIS C 32 10.390 9.604 -1.726 1.00 0.00 N ATOM 491 CD2 HIS C 32 11.948 11.190 -1.698 1.00 0.00 C ATOM 492 CE1 HIS C 32 9.800 10.777 -2.011 1.00 0.00 C ATOM 493 NE2 HIS C 32 10.702 11.774 -1.967 1.00 0.00 N ATOM 0 H HIS C 32 12.947 5.751 -1.429 1.00 0.00 H new ATOM 0 HA HIS C 32 11.828 7.347 -2.373 1.00 0.00 H new ATOM 0 HB2 HIS C 32 12.624 8.431 -0.211 1.00 0.00 H new ATOM 0 HB3 HIS C 32 13.773 9.322 -1.190 1.00 0.00 H new ATOM 0 HD1 HIS C 32 9.928 8.697 -1.665 1.00 0.00 H new ATOM 0 HD2 HIS C 32 12.896 11.703 -1.634 1.00 0.00 H new ATOM 0 HE1 HIS C 32 8.752 10.901 -2.242 1.00 0.00 H new ATOM 501 N ARG C 33 13.734 7.063 -4.444 1.00 0.00 N ATOM 502 CA ARG C 33 14.171 7.338 -5.818 1.00 0.00 C ATOM 503 C ARG C 33 13.012 7.889 -6.667 1.00 0.00 C ATOM 504 O ARG C 33 13.263 8.501 -7.703 1.00 0.00 O ATOM 505 CB ARG C 33 14.730 6.033 -6.417 1.00 0.00 C ATOM 506 CG ARG C 33 15.402 6.113 -7.804 1.00 0.00 C ATOM 507 CD ARG C 33 16.851 6.618 -7.781 1.00 0.00 C ATOM 508 NE ARG C 33 16.981 8.040 -7.417 1.00 0.00 N ATOM 509 CZ ARG C 33 18.105 8.619 -6.979 1.00 0.00 C ATOM 510 NH1 ARG C 33 19.235 7.926 -6.898 1.00 0.00 N ATOM 511 NH2 ARG C 33 18.115 9.896 -6.631 1.00 0.00 N ATOM 0 H ARG C 33 13.763 6.077 -4.184 1.00 0.00 H new ATOM 0 HA ARG C 33 14.948 8.102 -5.813 1.00 0.00 H new ATOM 0 HB2 ARG C 33 15.457 5.626 -5.715 1.00 0.00 H new ATOM 0 HB3 ARG C 33 13.912 5.315 -6.481 1.00 0.00 H new ATOM 0 HG2 ARG C 33 15.383 5.123 -8.261 1.00 0.00 H new ATOM 0 HG3 ARG C 33 14.812 6.770 -8.442 1.00 0.00 H new ATOM 0 HD2 ARG C 33 17.424 6.018 -7.074 1.00 0.00 H new ATOM 0 HD3 ARG C 33 17.296 6.462 -8.764 1.00 0.00 H new ATOM 0 HE ARG C 33 16.152 8.627 -7.506 1.00 0.00 H new ATOM 0 HH11 ARG C 33 19.251 6.943 -7.171 1.00 0.00 H new ATOM 0 HH12 ARG C 33 20.087 8.376 -6.563 1.00 0.00 H new ATOM 0 HH21 ARG C 33 17.260 10.449 -6.695 1.00 0.00 H new ATOM 0 HH22 ARG C 33 18.977 10.327 -6.298 1.00 0.00 H new ATOM 525 N TYR C 34 11.775 7.517 -6.334 1.00 0.00 N ATOM 526 CA TYR C 34 10.548 7.926 -7.003 1.00 0.00 C ATOM 527 C TYR C 34 10.183 9.362 -6.618 1.00 0.00 C ATOM 528 O TYR C 34 10.920 10.055 -5.929 1.00 0.00 O ATOM 529 CB TYR C 34 9.434 6.945 -6.617 1.00 0.00 C ATOM 530 CG TYR C 34 9.137 6.881 -5.126 1.00 0.00 C ATOM 531 CD1 TYR C 34 9.850 5.991 -4.301 1.00 0.00 C ATOM 532 CD2 TYR C 34 8.144 7.702 -4.563 1.00 0.00 C ATOM 533 CE1 TYR C 34 9.552 5.884 -2.932 1.00 0.00 C ATOM 534 CE2 TYR C 34 7.851 7.621 -3.192 1.00 0.00 C ATOM 535 CZ TYR C 34 8.534 6.692 -2.379 1.00 0.00 C ATOM 536 OH TYR C 34 8.209 6.591 -1.063 1.00 0.00 O ATOM 0 H TYR C 34 11.597 6.890 -5.549 1.00 0.00 H new ATOM 0 HA TYR C 34 10.685 7.906 -8.084 1.00 0.00 H new ATOM 0 HB2 TYR C 34 8.522 7.225 -7.144 1.00 0.00 H new ATOM 0 HB3 TYR C 34 9.709 5.949 -6.963 1.00 0.00 H new ATOM 0 HD1 TYR C 34 10.635 5.383 -4.725 1.00 0.00 H new ATOM 0 HD2 TYR C 34 7.604 8.398 -5.188 1.00 0.00 H new ATOM 0 HE1 TYR C 34 10.096 5.190 -2.308 1.00 0.00 H new ATOM 0 HE2 TYR C 34 7.103 8.270 -2.760 1.00 0.00 H new ATOM 0 HH TYR C 34 7.489 7.222 -0.855 1.00 0.00 H new ATOM 670 N PRO D 11 8.003 -7.281 -7.721 1.00 0.00 N ATOM 671 CA PRO D 11 9.267 -6.578 -7.583 1.00 0.00 C ATOM 672 C PRO D 11 9.007 -5.173 -7.040 1.00 0.00 C ATOM 673 O PRO D 11 8.078 -4.485 -7.469 1.00 0.00 O ATOM 674 CB PRO D 11 9.903 -6.567 -8.975 1.00 0.00 C ATOM 675 CG PRO D 11 8.694 -6.656 -9.899 1.00 0.00 C ATOM 676 CD PRO D 11 7.739 -7.566 -9.126 1.00 0.00 C ATOM 0 HA PRO D 11 9.945 -7.059 -6.878 1.00 0.00 H new ATOM 0 HB2 PRO D 11 10.479 -5.658 -9.149 1.00 0.00 H new ATOM 0 HB3 PRO D 11 10.583 -7.407 -9.116 1.00 0.00 H new ATOM 0 HG2 PRO D 11 8.255 -5.676 -10.086 1.00 0.00 H new ATOM 0 HG3 PRO D 11 8.957 -7.078 -10.869 1.00 0.00 H new ATOM 0 HD2 PRO D 11 6.700 -7.358 -9.383 1.00 0.00 H new ATOM 0 HD3 PRO D 11 7.920 -8.616 -9.357 1.00 0.00 H new ATOM 684 N VAL D 12 9.923 -4.714 -6.193 1.00 0.00 N ATOM 685 CA VAL D 12 9.864 -3.412 -5.545 1.00 0.00 C ATOM 686 C VAL D 12 9.764 -2.252 -6.538 1.00 0.00 C ATOM 687 O VAL D 12 9.097 -1.265 -6.248 1.00 0.00 O ATOM 688 CB VAL D 12 11.077 -3.255 -4.604 1.00 0.00 C ATOM 689 CG1 VAL D 12 11.028 -4.291 -3.469 1.00 0.00 C ATOM 690 CG2 VAL D 12 12.442 -3.370 -5.310 1.00 0.00 C ATOM 0 H VAL D 12 10.749 -5.254 -5.933 1.00 0.00 H new ATOM 0 HA VAL D 12 8.945 -3.370 -4.960 1.00 0.00 H new ATOM 0 HB VAL D 12 10.996 -2.242 -4.211 1.00 0.00 H new ATOM 0 HG11 VAL D 12 11.893 -4.160 -2.819 1.00 0.00 H new ATOM 0 HG12 VAL D 12 10.115 -4.153 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL D 12 11.041 -5.295 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL D 12 13.241 -3.248 -4.579 1.00 0.00 H new ATOM 0 HG22 VAL D 12 12.527 -4.350 -5.781 1.00 0.00 H new ATOM 0 HG23 VAL D 12 12.525 -2.594 -6.071 1.00 0.00 H new ATOM 700 N GLU D 13 10.394 -2.367 -7.709 1.00 0.00 N ATOM 701 CA GLU D 13 10.387 -1.328 -8.728 1.00 0.00 C ATOM 702 C GLU D 13 8.955 -1.042 -9.185 1.00 0.00 C ATOM 703 O GLU D 13 8.493 0.098 -9.128 1.00 0.00 O ATOM 704 CB GLU D 13 11.264 -1.812 -9.899 1.00 0.00 C ATOM 705 CG GLU D 13 11.619 -0.721 -10.920 1.00 0.00 C ATOM 706 CD GLU D 13 12.619 0.314 -10.394 1.00 0.00 C ATOM 707 OE1 GLU D 13 13.364 0.035 -9.425 1.00 0.00 O ATOM 708 OE2 GLU D 13 12.718 1.401 -11.008 1.00 0.00 O ATOM 0 H GLU D 13 10.928 -3.195 -7.974 1.00 0.00 H new ATOM 0 HA GLU D 13 10.788 -0.396 -8.331 1.00 0.00 H new ATOM 0 HB2 GLU D 13 12.187 -2.230 -9.497 1.00 0.00 H new ATOM 0 HB3 GLU D 13 10.746 -2.620 -10.415 1.00 0.00 H new ATOM 0 HG2 GLU D 13 12.032 -1.192 -11.812 1.00 0.00 H new ATOM 0 HG3 GLU D 13 10.706 -0.209 -11.224 1.00 0.00 H new ATOM 715 N ASP D 14 8.237 -2.084 -9.595 1.00 0.00 N ATOM 716 CA ASP D 14 6.863 -2.004 -10.074 1.00 0.00 C ATOM 717 C ASP D 14 5.941 -1.588 -8.939 1.00 0.00 C ATOM 718 O ASP D 14 5.126 -0.685 -9.127 1.00 0.00 O ATOM 719 CB ASP D 14 6.386 -3.363 -10.612 1.00 0.00 C ATOM 720 CG ASP D 14 7.079 -3.833 -11.890 1.00 0.00 C ATOM 721 OD1 ASP D 14 8.311 -3.661 -12.031 1.00 0.00 O ATOM 722 OD2 ASP D 14 6.411 -4.483 -12.724 1.00 0.00 O ATOM 0 H ASP D 14 8.607 -3.034 -9.603 1.00 0.00 H new ATOM 0 HA ASP D 14 6.834 -1.268 -10.877 1.00 0.00 H new ATOM 0 HB2 ASP D 14 6.536 -4.116 -9.838 1.00 0.00 H new ATOM 0 HB3 ASP D 14 5.314 -3.306 -10.798 1.00 0.00 H new ATOM 727 N LEU D 15 6.105 -2.197 -7.755 1.00 0.00 N ATOM 728 CA LEU D 15 5.277 -1.905 -6.591 1.00 0.00 C ATOM 729 C LEU D 15 5.281 -0.425 -6.238 1.00 0.00 C ATOM 730 O LEU D 15 4.228 0.098 -5.889 1.00 0.00 O ATOM 731 CB LEU D 15 5.665 -2.764 -5.378 1.00 0.00 C ATOM 732 CG LEU D 15 4.491 -2.806 -4.374 1.00 0.00 C ATOM 733 CD1 LEU D 15 3.424 -3.810 -4.819 1.00 0.00 C ATOM 734 CD2 LEU D 15 4.959 -3.177 -2.970 1.00 0.00 C ATOM 0 H LEU D 15 6.818 -2.906 -7.585 1.00 0.00 H new ATOM 0 HA LEU D 15 4.256 -2.169 -6.868 1.00 0.00 H new ATOM 0 HB2 LEU D 15 5.917 -3.774 -5.701 1.00 0.00 H new ATOM 0 HB3 LEU D 15 6.553 -2.353 -4.898 1.00 0.00 H new ATOM 0 HG LEU D 15 4.066 -1.803 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU D 15 2.609 -3.820 -4.095 1.00 0.00 H new ATOM 0 HD12 LEU D 15 3.038 -3.521 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU D 15 3.865 -4.805 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU D 15 4.104 -3.196 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU D 15 5.427 -4.161 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU D 15 5.681 -2.439 -2.621 1.00 0.00 H new ATOM 746 N ILE D 16 6.413 0.265 -6.361 1.00 0.00 N ATOM 747 CA ILE D 16 6.508 1.687 -6.049 1.00 0.00 C ATOM 748 C ILE D 16 5.565 2.515 -6.927 1.00 0.00 C ATOM 749 O ILE D 16 4.985 3.489 -6.437 1.00 0.00 O ATOM 750 CB ILE D 16 7.986 2.107 -6.173 1.00 0.00 C ATOM 751 CG1 ILE D 16 8.786 1.565 -4.971 1.00 0.00 C ATOM 752 CG2 ILE D 16 8.221 3.616 -6.343 1.00 0.00 C ATOM 753 CD1 ILE D 16 8.589 2.298 -3.648 1.00 0.00 C ATOM 0 H ILE D 16 7.290 -0.147 -6.680 1.00 0.00 H new ATOM 0 HA ILE D 16 6.181 1.877 -5.027 1.00 0.00 H new ATOM 0 HB ILE D 16 8.342 1.663 -7.102 1.00 0.00 H new ATOM 0 HG12 ILE D 16 8.520 0.518 -4.826 1.00 0.00 H new ATOM 0 HG13 ILE D 16 9.846 1.593 -5.224 1.00 0.00 H new ATOM 0 HG21 ILE D 16 9.291 3.811 -6.421 1.00 0.00 H new ATOM 0 HG22 ILE D 16 7.722 3.962 -7.248 1.00 0.00 H new ATOM 0 HG23 ILE D 16 7.818 4.146 -5.480 1.00 0.00 H new ATOM 0 HD11 ILE D 16 9.201 1.829 -2.877 1.00 0.00 H new ATOM 0 HD12 ILE D 16 8.886 3.341 -3.762 1.00 0.00 H new ATOM 0 HD13 ILE D 16 7.539 2.249 -3.358 1.00 0.00 H new ATOM 765 N ARG D 17 5.451 2.193 -8.220 1.00 0.00 N ATOM 766 CA ARG D 17 4.566 2.938 -9.111 1.00 0.00 C ATOM 767 C ARG D 17 3.130 2.486 -8.907 1.00 0.00 C ATOM 768 O ARG D 17 2.240 3.322 -8.781 1.00 0.00 O ATOM 769 CB ARG D 17 4.996 2.762 -10.571 1.00 0.00 C ATOM 770 CG ARG D 17 4.678 4.035 -11.367 1.00 0.00 C ATOM 771 CD ARG D 17 5.772 5.074 -11.131 1.00 0.00 C ATOM 772 NE ARG D 17 5.471 6.343 -11.799 1.00 0.00 N ATOM 773 CZ ARG D 17 6.387 7.269 -12.094 1.00 0.00 C ATOM 774 NH1 ARG D 17 7.677 7.061 -11.869 1.00 0.00 N ATOM 775 NH2 ARG D 17 6.013 8.427 -12.604 1.00 0.00 N ATOM 0 H ARG D 17 5.957 1.428 -8.666 1.00 0.00 H new ATOM 0 HA ARG D 17 4.633 3.999 -8.871 1.00 0.00 H new ATOM 0 HB2 ARG D 17 6.064 2.549 -10.621 1.00 0.00 H new ATOM 0 HB3 ARG D 17 4.479 1.909 -11.011 1.00 0.00 H new ATOM 0 HG2 ARG D 17 4.606 3.803 -12.430 1.00 0.00 H new ATOM 0 HG3 ARG D 17 3.711 4.435 -11.062 1.00 0.00 H new ATOM 0 HD2 ARG D 17 5.886 5.245 -10.061 1.00 0.00 H new ATOM 0 HD3 ARG D 17 6.724 4.688 -11.495 1.00 0.00 H new ATOM 0 HE ARG D 17 4.502 6.531 -12.055 1.00 0.00 H new ATOM 0 HH11 ARG D 17 7.988 6.179 -11.462 1.00 0.00 H new ATOM 0 HH12 ARG D 17 8.358 7.783 -12.103 1.00 0.00 H new ATOM 0 HH21 ARG D 17 5.025 8.615 -12.773 1.00 0.00 H new ATOM 0 HH22 ARG D 17 6.712 9.135 -12.829 1.00 0.00 H new ATOM 789 N PHE D 18 2.926 1.171 -8.835 1.00 0.00 N ATOM 790 CA PHE D 18 1.640 0.528 -8.622 1.00 0.00 C ATOM 791 C PHE D 18 0.983 1.146 -7.386 1.00 0.00 C ATOM 792 O PHE D 18 -0.150 1.605 -7.468 1.00 0.00 O ATOM 793 CB PHE D 18 1.909 -0.981 -8.513 1.00 0.00 C ATOM 794 CG PHE D 18 0.841 -1.858 -7.896 1.00 0.00 C ATOM 795 CD1 PHE D 18 0.844 -2.076 -6.506 1.00 0.00 C ATOM 796 CD2 PHE D 18 -0.068 -2.560 -8.708 1.00 0.00 C ATOM 797 CE1 PHE D 18 -0.052 -2.991 -5.933 1.00 0.00 C ATOM 798 CE2 PHE D 18 -0.970 -3.471 -8.133 1.00 0.00 C ATOM 799 CZ PHE D 18 -0.962 -3.685 -6.746 1.00 0.00 C ATOM 0 H PHE D 18 3.689 0.500 -8.928 1.00 0.00 H new ATOM 0 HA PHE D 18 0.936 0.680 -9.440 1.00 0.00 H new ATOM 0 HB2 PHE D 18 2.108 -1.356 -9.517 1.00 0.00 H new ATOM 0 HB3 PHE D 18 2.824 -1.115 -7.935 1.00 0.00 H new ATOM 0 HD1 PHE D 18 1.538 -1.537 -5.878 1.00 0.00 H new ATOM 0 HD2 PHE D 18 -0.073 -2.398 -9.776 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -0.042 -3.161 -4.867 1.00 0.00 H new ATOM 0 HE2 PHE D 18 -1.669 -4.006 -8.758 1.00 0.00 H new ATOM 0 HZ PHE D 18 -1.656 -4.384 -6.304 1.00 0.00 H new ATOM 809 N TYR D 19 1.736 1.311 -6.297 1.00 0.00 N ATOM 810 CA TYR D 19 1.303 1.896 -5.034 1.00 0.00 C ATOM 811 C TYR D 19 0.711 3.291 -5.230 1.00 0.00 C ATOM 812 O TYR D 19 -0.279 3.658 -4.591 1.00 0.00 O ATOM 813 CB TYR D 19 2.522 1.989 -4.112 1.00 0.00 C ATOM 814 CG TYR D 19 2.253 2.683 -2.798 1.00 0.00 C ATOM 815 CD1 TYR D 19 1.561 1.982 -1.803 1.00 0.00 C ATOM 816 CD2 TYR D 19 2.693 4.000 -2.562 1.00 0.00 C ATOM 817 CE1 TYR D 19 1.337 2.572 -0.551 1.00 0.00 C ATOM 818 CE2 TYR D 19 2.468 4.604 -1.310 1.00 0.00 C ATOM 819 CZ TYR D 19 1.798 3.881 -0.296 1.00 0.00 C ATOM 820 OH TYR D 19 1.548 4.463 0.904 1.00 0.00 O ATOM 0 H TYR D 19 2.715 1.024 -6.275 1.00 0.00 H new ATOM 0 HA TYR D 19 0.526 1.266 -4.602 1.00 0.00 H new ATOM 0 HB2 TYR D 19 2.888 0.982 -3.910 1.00 0.00 H new ATOM 0 HB3 TYR D 19 3.319 2.519 -4.634 1.00 0.00 H new ATOM 0 HD1 TYR D 19 1.199 0.984 -2.000 1.00 0.00 H new ATOM 0 HD2 TYR D 19 3.203 4.547 -3.341 1.00 0.00 H new ATOM 0 HE1 TYR D 19 0.812 2.025 0.218 1.00 0.00 H new ATOM 0 HE2 TYR D 19 2.805 5.613 -1.125 1.00 0.00 H new ATOM 0 HH TYR D 19 0.606 4.333 1.141 1.00 0.00 H new ATOM 830 N ASN D 20 1.373 4.100 -6.055 1.00 0.00 N ATOM 831 CA ASN D 20 0.967 5.463 -6.350 1.00 0.00 C ATOM 832 C ASN D 20 -0.415 5.499 -6.985 1.00 0.00 C ATOM 833 O ASN D 20 -1.188 6.407 -6.698 1.00 0.00 O ATOM 834 CB ASN D 20 2.008 6.100 -7.277 1.00 0.00 C ATOM 835 CG ASN D 20 2.131 7.586 -7.032 1.00 0.00 C ATOM 836 OD1 ASN D 20 1.355 8.386 -7.540 1.00 0.00 O ATOM 837 ND2 ASN D 20 3.103 7.995 -6.229 1.00 0.00 N ATOM 0 H ASN D 20 2.222 3.816 -6.544 1.00 0.00 H new ATOM 0 HA ASN D 20 0.910 6.029 -5.420 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.976 5.623 -7.121 1.00 0.00 H new ATOM 0 HB3 ASN D 20 1.729 5.923 -8.316 1.00 0.00 H new ATOM 0 HD21 ASN D 20 3.213 8.989 -6.026 1.00 0.00 H new ATOM 0 HD22 ASN D 20 3.741 7.316 -5.814 1.00 0.00 H new ATOM 844 N ASP D 21 -0.741 4.523 -7.831 1.00 0.00 N ATOM 845 CA ASP D 21 -2.035 4.423 -8.503 1.00 0.00 C ATOM 846 C ASP D 21 -3.070 3.839 -7.533 1.00 0.00 C ATOM 847 O ASP D 21 -4.152 4.399 -7.332 1.00 0.00 O ATOM 848 CB ASP D 21 -1.873 3.544 -9.751 1.00 0.00 C ATOM 849 CG ASP D 21 -3.070 3.595 -10.700 1.00 0.00 C ATOM 850 OD1 ASP D 21 -4.093 4.247 -10.404 1.00 0.00 O ATOM 851 OD2 ASP D 21 -2.884 3.173 -11.867 1.00 0.00 O ATOM 0 H ASP D 21 -0.101 3.766 -8.073 1.00 0.00 H new ATOM 0 HA ASP D 21 -2.387 5.407 -8.813 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -0.979 3.857 -10.291 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -1.712 2.512 -9.439 1.00 0.00 H new ATOM 856 N LEU D 22 -2.663 2.796 -6.800 1.00 0.00 N ATOM 857 CA LEU D 22 -3.404 2.023 -5.798 1.00 0.00 C ATOM 858 C LEU D 22 -3.995 2.862 -4.667 1.00 0.00 C ATOM 859 O LEU D 22 -4.832 2.354 -3.924 1.00 0.00 O ATOM 860 CB LEU D 22 -2.459 0.969 -5.190 1.00 0.00 C ATOM 861 CG LEU D 22 -2.603 -0.480 -5.671 1.00 0.00 C ATOM 862 CD1 LEU D 22 -3.812 -1.176 -5.052 1.00 0.00 C ATOM 863 CD2 LEU D 22 -2.689 -0.627 -7.194 1.00 0.00 C ATOM 0 H LEU D 22 -1.714 2.438 -6.904 1.00 0.00 H new ATOM 0 HA LEU D 22 -4.248 1.571 -6.319 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -1.434 1.286 -5.383 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -2.597 0.979 -4.109 1.00 0.00 H new ATOM 0 HG LEU D 22 -1.683 -0.959 -5.336 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -3.872 -2.199 -5.423 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -3.709 -1.189 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -4.720 -0.638 -5.324 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -2.789 -1.681 -7.453 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -3.555 -0.078 -7.564 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -1.784 -0.226 -7.650 1.00 0.00 H new ATOM 875 N GLN D 23 -3.537 4.101 -4.473 1.00 0.00 N ATOM 876 CA GLN D 23 -4.068 4.955 -3.416 1.00 0.00 C ATOM 877 C GLN D 23 -5.587 5.126 -3.587 1.00 0.00 C ATOM 878 O GLN D 23 -6.337 5.028 -2.612 1.00 0.00 O ATOM 879 CB GLN D 23 -3.259 6.263 -3.351 1.00 0.00 C ATOM 880 CG GLN D 23 -3.411 7.222 -4.541 1.00 0.00 C ATOM 881 CD GLN D 23 -2.386 8.370 -4.557 1.00 0.00 C ATOM 882 OE1 GLN D 23 -2.669 9.453 -5.069 1.00 0.00 O ATOM 883 NE2 GLN D 23 -1.153 8.174 -4.100 1.00 0.00 N ATOM 0 H GLN D 23 -2.802 4.531 -5.034 1.00 0.00 H new ATOM 0 HA GLN D 23 -3.947 4.492 -2.437 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -3.545 6.796 -2.444 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -2.204 6.007 -3.251 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -3.318 6.653 -5.466 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -4.415 7.646 -4.527 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -0.903 7.282 -3.673 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -0.457 8.916 -4.176 1.00 0.00 H new ATOM 892 N GLN D 24 -6.054 5.193 -4.841 1.00 0.00 N ATOM 893 CA GLN D 24 -7.467 5.336 -5.148 1.00 0.00 C ATOM 894 C GLN D 24 -8.244 4.060 -4.793 1.00 0.00 C ATOM 895 O GLN D 24 -9.352 4.175 -4.279 1.00 0.00 O ATOM 896 CB GLN D 24 -7.647 5.778 -6.606 1.00 0.00 C ATOM 897 CG GLN D 24 -9.134 5.964 -6.964 1.00 0.00 C ATOM 898 CD GLN D 24 -9.415 7.160 -7.870 1.00 0.00 C ATOM 899 OE1 GLN D 24 -8.533 7.746 -8.487 1.00 0.00 O ATOM 900 NE2 GLN D 24 -10.654 7.617 -7.887 1.00 0.00 N ATOM 0 H GLN D 24 -5.455 5.149 -5.665 1.00 0.00 H new ATOM 0 HA GLN D 24 -7.895 6.122 -4.526 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -7.113 6.714 -6.772 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -7.203 5.036 -7.269 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -9.494 5.059 -7.454 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -9.706 6.078 -6.043 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -11.386 7.127 -7.372 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -10.879 8.460 -8.415 1.00 0.00 H new ATOM 909 N TYR D 25 -7.682 2.859 -4.975 1.00 0.00 N ATOM 910 CA TYR D 25 -8.342 1.592 -4.639 1.00 0.00 C ATOM 911 C TYR D 25 -8.724 1.610 -3.166 1.00 0.00 C ATOM 912 O TYR D 25 -9.886 1.390 -2.826 1.00 0.00 O ATOM 913 CB TYR D 25 -7.410 0.419 -4.966 1.00 0.00 C ATOM 914 CG TYR D 25 -7.680 -0.932 -4.311 1.00 0.00 C ATOM 915 CD1 TYR D 25 -8.804 -1.699 -4.672 1.00 0.00 C ATOM 916 CD2 TYR D 25 -6.719 -1.494 -3.447 1.00 0.00 C ATOM 917 CE1 TYR D 25 -8.925 -3.035 -4.240 1.00 0.00 C ATOM 918 CE2 TYR D 25 -6.829 -2.826 -3.016 1.00 0.00 C ATOM 919 CZ TYR D 25 -7.927 -3.612 -3.420 1.00 0.00 C ATOM 920 OH TYR D 25 -7.997 -4.926 -3.059 1.00 0.00 O ATOM 0 H TYR D 25 -6.747 2.738 -5.364 1.00 0.00 H new ATOM 0 HA TYR D 25 -9.249 1.468 -5.230 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -7.428 0.273 -6.046 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -6.396 0.718 -4.702 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -9.579 -1.261 -5.284 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -5.887 -0.892 -3.112 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -9.783 -3.621 -4.536 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -6.071 -3.249 -2.374 1.00 0.00 H new ATOM 0 HH TYR D 25 -7.227 -5.152 -2.496 1.00 0.00 H new ATOM 930 N LEU D 26 -7.780 1.980 -2.293 1.00 0.00 N ATOM 931 CA LEU D 26 -8.031 2.050 -0.857 1.00 0.00 C ATOM 932 C LEU D 26 -9.092 3.101 -0.527 1.00 0.00 C ATOM 933 O LEU D 26 -9.654 3.088 0.567 1.00 0.00 O ATOM 934 CB LEU D 26 -6.723 2.296 -0.098 1.00 0.00 C ATOM 935 CG LEU D 26 -5.760 1.097 -0.178 1.00 0.00 C ATOM 936 CD1 LEU D 26 -4.477 1.444 0.569 1.00 0.00 C ATOM 937 CD2 LEU D 26 -6.380 -0.184 0.400 1.00 0.00 C ATOM 0 H LEU D 26 -6.830 2.236 -2.563 1.00 0.00 H new ATOM 0 HA LEU D 26 -8.430 1.090 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.232 3.180 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -6.948 2.508 0.947 1.00 0.00 H new ATOM 0 HG LEU D 26 -5.546 0.900 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -3.787 0.601 0.519 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -4.015 2.319 0.112 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -4.710 1.660 1.612 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -5.664 -1.002 0.322 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -6.635 -0.024 1.448 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -7.281 -0.436 -0.159 1.00 0.00 H new ATOM 949 N ASN D 27 -9.324 4.067 -1.417 1.00 0.00 N ATOM 950 CA ASN D 27 -10.337 5.095 -1.240 1.00 0.00 C ATOM 951 C ASN D 27 -11.699 4.416 -1.383 1.00 0.00 C ATOM 952 O ASN D 27 -12.552 4.580 -0.511 1.00 0.00 O ATOM 953 CB ASN D 27 -10.131 6.242 -2.240 1.00 0.00 C ATOM 954 CG ASN D 27 -10.640 7.551 -1.672 1.00 0.00 C ATOM 955 OD1 ASN D 27 -11.821 7.862 -1.778 1.00 0.00 O ATOM 956 ND2 ASN D 27 -9.770 8.313 -1.029 1.00 0.00 N ATOM 0 H ASN D 27 -8.804 4.154 -2.290 1.00 0.00 H new ATOM 0 HA ASN D 27 -10.269 5.555 -0.254 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -9.072 6.333 -2.482 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -10.653 6.017 -3.170 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -10.075 9.188 -0.603 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -8.794 8.025 -0.959 1.00 0.00 H new ATOM 963 N VAL D 28 -11.866 3.562 -2.401 1.00 0.00 N ATOM 964 CA VAL D 28 -13.100 2.820 -2.660 1.00 0.00 C ATOM 965 C VAL D 28 -13.363 1.797 -1.550 1.00 0.00 C ATOM 966 O VAL D 28 -14.501 1.690 -1.084 1.00 0.00 O ATOM 967 CB VAL D 28 -13.054 2.068 -4.013 1.00 0.00 C ATOM 968 CG1 VAL D 28 -14.486 1.777 -4.480 1.00 0.00 C ATOM 969 CG2 VAL D 28 -12.320 2.806 -5.138 1.00 0.00 C ATOM 0 H VAL D 28 -11.130 3.366 -3.080 1.00 0.00 H new ATOM 0 HA VAL D 28 -13.901 3.558 -2.692 1.00 0.00 H new ATOM 0 HB VAL D 28 -12.487 1.157 -3.820 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -14.458 1.248 -5.432 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -14.993 1.161 -3.737 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -15.027 2.716 -4.603 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -12.341 2.201 -6.044 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -12.811 3.761 -5.328 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -11.286 2.982 -4.843 1.00 0.00 H new ATOM 979 N VAL D 29 -12.313 1.149 -1.029 1.00 0.00 N ATOM 980 CA VAL D 29 -12.385 0.131 0.022 1.00 0.00 C ATOM 981 C VAL D 29 -13.273 0.569 1.197 1.00 0.00 C ATOM 982 O VAL D 29 -14.111 -0.227 1.636 1.00 0.00 O ATOM 983 CB VAL D 29 -10.958 -0.311 0.412 1.00 0.00 C ATOM 984 CG1 VAL D 29 -10.916 -1.205 1.651 1.00 0.00 C ATOM 985 CG2 VAL D 29 -10.305 -1.121 -0.719 1.00 0.00 C ATOM 0 H VAL D 29 -11.358 1.327 -1.340 1.00 0.00 H new ATOM 0 HA VAL D 29 -12.890 -0.755 -0.361 1.00 0.00 H new ATOM 0 HB VAL D 29 -10.426 0.619 0.612 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -9.883 -1.478 1.868 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -11.336 -0.668 2.502 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -11.499 -2.108 1.468 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -9.301 -1.420 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -10.903 -2.009 -0.922 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -10.248 -0.509 -1.619 1.00 0.00 H new ATOM 995 N THR D 30 -13.229 1.839 1.614 1.00 0.00 N ATOM 996 CA THR D 30 -14.061 2.356 2.707 1.00 0.00 C ATOM 997 C THR D 30 -14.887 3.568 2.251 1.00 0.00 C ATOM 998 O THR D 30 -15.522 4.231 3.070 1.00 0.00 O ATOM 999 CB THR D 30 -13.205 2.653 3.953 1.00 0.00 C ATOM 1000 OG1 THR D 30 -12.328 3.741 3.741 1.00 0.00 O ATOM 1001 CG2 THR D 30 -12.359 1.450 4.385 1.00 0.00 C ATOM 0 H THR D 30 -12.613 2.540 1.202 1.00 0.00 H new ATOM 0 HA THR D 30 -14.777 1.585 2.992 1.00 0.00 H new ATOM 0 HB THR D 30 -13.921 2.894 4.739 1.00 0.00 H new ATOM 0 HG1 THR D 30 -11.803 3.901 4.553 1.00 0.00 H new ATOM 0 HG21 THR D 30 -11.775 1.714 5.267 1.00 0.00 H new ATOM 0 HG22 THR D 30 -13.013 0.611 4.620 1.00 0.00 H new ATOM 0 HG23 THR D 30 -11.686 1.169 3.575 1.00 0.00 H new ATOM 1009 N ARG D 31 -14.950 3.840 0.942 1.00 0.00 N ATOM 1010 CA ARG D 31 -15.657 4.976 0.347 1.00 0.00 C ATOM 1011 C ARG D 31 -15.217 6.272 1.041 1.00 0.00 C ATOM 1012 O ARG D 31 -16.028 7.104 1.445 1.00 0.00 O ATOM 1013 CB ARG D 31 -17.172 4.727 0.304 1.00 0.00 C ATOM 1014 CG ARG D 31 -17.841 5.633 -0.741 1.00 0.00 C ATOM 1015 CD ARG D 31 -19.350 5.411 -0.812 1.00 0.00 C ATOM 1016 NE ARG D 31 -20.054 5.922 0.378 1.00 0.00 N ATOM 1017 CZ ARG D 31 -20.889 6.969 0.388 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -20.971 7.782 -0.665 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -21.624 7.225 1.461 1.00 0.00 N ATOM 0 H ARG D 31 -14.493 3.253 0.245 1.00 0.00 H new ATOM 0 HA ARG D 31 -15.383 5.094 -0.701 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.367 3.682 0.065 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -17.605 4.915 1.287 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -17.640 6.676 -0.498 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -17.401 5.443 -1.720 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -19.744 5.902 -1.702 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -19.552 4.345 -0.920 1.00 0.00 H new ATOM 0 HE ARG D 31 -19.893 5.441 1.263 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -20.395 7.609 -1.489 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -21.610 8.577 -0.647 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -21.554 6.624 2.282 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -22.259 8.023 1.466 1.00 0.00 H new ATOM 1033 N HIS D 32 -13.906 6.394 1.234 1.00 0.00 N ATOM 1034 CA HIS D 32 -13.216 7.503 1.863 1.00 0.00 C ATOM 1035 C HIS D 32 -13.602 7.683 3.337 1.00 0.00 C ATOM 1036 O HIS D 32 -13.692 8.819 3.796 1.00 0.00 O ATOM 1037 CB HIS D 32 -13.392 8.778 1.016 1.00 0.00 C ATOM 1038 CG HIS D 32 -12.234 9.749 1.086 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -11.446 10.018 2.182 1.00 0.00 N ATOM 1040 CD2 HIS D 32 -11.707 10.446 0.032 1.00 0.00 C ATOM 1041 CE1 HIS D 32 -10.442 10.815 1.791 1.00 0.00 C ATOM 1042 NE2 HIS D 32 -10.548 11.095 0.479 1.00 0.00 N ATOM 0 H HIS D 32 -13.258 5.666 0.932 1.00 0.00 H new ATOM 0 HA HIS D 32 -12.150 7.275 1.892 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -13.543 8.489 -0.024 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -14.298 9.290 1.339 1.00 0.00 H new ATOM 0 HD1 HIS D 32 -11.600 9.671 3.129 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -12.113 10.488 -0.968 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -9.658 11.181 2.438 1.00 0.00 H new ATOM 1050 N ARG D 33 -13.810 6.620 4.131 1.00 0.00 N ATOM 1051 CA ARG D 33 -14.157 6.747 5.565 1.00 0.00 C ATOM 1052 C ARG D 33 -12.938 7.192 6.408 1.00 0.00 C ATOM 1053 O ARG D 33 -12.708 6.662 7.495 1.00 0.00 O ATOM 1054 CB ARG D 33 -14.807 5.442 6.083 1.00 0.00 C ATOM 1055 CG ARG D 33 -15.555 5.583 7.424 1.00 0.00 C ATOM 1056 CD ARG D 33 -17.078 5.669 7.263 1.00 0.00 C ATOM 1057 NE ARG D 33 -17.477 6.876 6.526 1.00 0.00 N ATOM 1058 CZ ARG D 33 -17.941 8.018 7.039 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -18.295 8.093 8.316 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -18.036 9.085 6.259 1.00 0.00 N ATOM 0 H ARG D 33 -13.744 5.655 3.806 1.00 0.00 H new ATOM 0 HA ARG D 33 -14.899 7.538 5.674 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -15.505 5.076 5.330 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -14.031 4.685 6.193 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -15.311 4.731 8.059 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -15.200 6.476 7.938 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -17.439 4.785 6.737 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -17.549 5.670 8.246 1.00 0.00 H new ATOM 0 HE ARG D 33 -17.390 6.837 5.510 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -18.214 7.273 8.917 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -18.648 8.971 8.697 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -17.756 9.027 5.280 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -18.389 9.964 6.638 1.00 0.00 H new ATOM 1074 N TYR D 34 -12.025 7.957 5.822 1.00 0.00 N ATOM 1075 CA TYR D 34 -10.804 8.521 6.360 1.00 0.00 C ATOM 1076 C TYR D 34 -10.630 9.909 5.727 1.00 0.00 C ATOM 1077 O TYR D 34 -11.488 10.383 4.978 1.00 0.00 O ATOM 1078 CB TYR D 34 -9.635 7.599 6.010 1.00 0.00 C ATOM 1079 CG TYR D 34 -9.383 7.418 4.522 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -10.081 6.434 3.807 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -8.410 8.188 3.864 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -9.692 6.094 2.499 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -8.043 7.898 2.541 1.00 0.00 C ATOM 1084 CZ TYR D 34 -8.642 6.809 1.874 1.00 0.00 C ATOM 1085 OH TYR D 34 -8.156 6.438 0.660 1.00 0.00 O ATOM 0 H TYR D 34 -12.142 8.225 4.845 1.00 0.00 H new ATOM 0 HA TYR D 34 -10.841 8.616 7.445 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -8.730 7.994 6.471 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -9.818 6.620 6.454 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -10.922 5.934 4.264 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -7.940 9.011 4.381 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -10.191 5.293 1.975 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -7.306 8.505 2.036 1.00 0.00 H new ATOM 0 HH TYR D 34 -7.439 7.050 0.394 1.00 0.00 H new