USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 537 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 GLN : amide:sc= -0.0261 X(o=-0.026,f=-0.49) USER MOD Single : A 15 ASN : amide:sc= -0.0166 K(o=-0.017,f=-0.68) USER MOD Single : A 20 ASN : amide:sc= -1.08! C(o=-1.1!,f=-10!) USER MOD Single : A 21 ASN : amide:sc=-0.000341 X(o=-0.00034,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.788 K(o=-0.79,f=-1.7) USER MOD Single : A 41 THR OG1 : rot -69:sc= 0.985 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 59:sc= 1.23 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.581 K(o=-0.58,f=-1.6) USER MOD Single : A 64 GLN : amide:sc= -0.915! X(o=-0.91!,f=-0.92) USER MOD Single : A 66 MET CE :methyl -131:sc= -2.26 (180deg=-5.17!) USER MOD Single : A 86 MET CE :methyl 156:sc= -0.078 (180deg=-0.77) USER MOD Single : A 87 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.04) USER MOD Single : A 89 MET CE :methyl 166:sc= -3.17! (180deg=-3.48!) USER MOD Single : A 90 GLN : amide:sc= 0.567 K(o=0.57,f=-2.2!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 28:sc= -0.455 USER MOD ----------------------------------------------------------------- ATOM 126 N VAL A 9 -5.751 13.982 -0.057 1.00 0.00 N ATOM 127 CA VAL A 9 -5.242 12.637 0.188 1.00 0.00 C ATOM 128 C VAL A 9 -5.083 12.389 1.684 1.00 0.00 C ATOM 129 O VAL A 9 -4.819 13.313 2.453 1.00 0.00 O ATOM 130 CB VAL A 9 -3.885 12.405 -0.517 1.00 0.00 C ATOM 131 CG1 VAL A 9 -3.303 11.040 -0.162 1.00 0.00 C ATOM 132 CG2 VAL A 9 -4.038 12.546 -2.024 1.00 0.00 C ATOM 0 HA VAL A 9 -5.969 11.937 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.189 13.166 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.349 10.907 -0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.149 10.979 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.994 10.257 -0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.074 12.380 -2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.756 11.811 -2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.394 13.549 -2.261 1.00 0.00 H new ATOM 142 N GLY A 10 -5.255 11.138 2.085 1.00 0.00 N ATOM 143 CA GLY A 10 -5.115 10.781 3.480 1.00 0.00 C ATOM 144 C GLY A 10 -3.671 10.508 3.851 1.00 0.00 C ATOM 145 O GLY A 10 -3.248 10.770 4.977 1.00 0.00 O ATOM 0 H GLY A 10 -5.490 10.362 1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.503 11.587 4.102 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.717 9.897 3.691 1.00 0.00 H new ATOM 149 N TRP A 11 -2.913 9.995 2.889 1.00 0.00 N ATOM 150 CA TRP A 11 -1.503 9.691 3.099 1.00 0.00 C ATOM 151 C TRP A 11 -0.639 10.921 2.824 1.00 0.00 C ATOM 152 O TRP A 11 -0.979 11.757 1.986 1.00 0.00 O ATOM 153 CB TRP A 11 -1.083 8.517 2.202 1.00 0.00 C ATOM 154 CG TRP A 11 0.400 8.326 2.090 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.145 7.325 2.647 1.00 0.00 C ATOM 156 CD2 TRP A 11 1.316 9.154 1.366 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.468 7.484 2.316 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.599 8.600 1.531 1.00 0.00 C ATOM 159 CE3 TRP A 11 1.176 10.311 0.597 1.00 0.00 C ATOM 160 CZ2 TRP A 11 3.732 9.167 0.954 1.00 0.00 C ATOM 161 CZ3 TRP A 11 2.302 10.872 0.024 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.565 10.300 0.206 1.00 0.00 C ATOM 0 H TRP A 11 -3.253 9.780 1.952 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.356 9.405 4.140 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.527 7.601 2.591 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.494 8.672 1.204 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.751 6.526 3.258 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.230 6.871 2.607 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.204 10.760 0.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.709 8.728 1.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.205 11.766 -0.574 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.426 10.762 -0.253 1.00 0.00 H new ATOM 173 N ASP A 12 0.470 11.031 3.548 1.00 0.00 N ATOM 174 CA ASP A 12 1.379 12.160 3.389 1.00 0.00 C ATOM 175 C ASP A 12 2.827 11.728 3.613 1.00 0.00 C ATOM 176 O ASP A 12 3.089 10.773 4.343 1.00 0.00 O ATOM 177 CB ASP A 12 1.010 13.277 4.366 1.00 0.00 C ATOM 178 CG ASP A 12 -0.458 13.647 4.295 1.00 0.00 C ATOM 179 OD1 ASP A 12 -0.898 14.132 3.230 1.00 0.00 O ATOM 180 OD2 ASP A 12 -1.169 13.452 5.303 1.00 0.00 O ATOM 0 H ASP A 12 0.761 10.352 4.251 1.00 0.00 H new ATOM 0 HA ASP A 12 1.284 12.532 2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.254 12.963 5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.615 14.158 4.151 1.00 0.00 H new ATOM 185 N PRO A 13 3.789 12.433 2.990 1.00 0.00 N ATOM 186 CA PRO A 13 5.216 12.116 3.124 1.00 0.00 C ATOM 187 C PRO A 13 5.728 12.339 4.544 1.00 0.00 C ATOM 188 O PRO A 13 6.599 13.180 4.773 1.00 0.00 O ATOM 189 CB PRO A 13 5.905 13.088 2.154 1.00 0.00 C ATOM 190 CG PRO A 13 4.818 13.597 1.268 1.00 0.00 C ATOM 191 CD PRO A 13 3.569 13.582 2.098 1.00 0.00 C ATOM 0 HA PRO A 13 5.414 11.067 2.905 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.388 13.904 2.692 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.680 12.584 1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.041 14.604 0.916 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.707 12.968 0.385 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.442 14.510 2.656 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.677 13.454 1.485 1.00 0.00 H new ATOM 199 N GLN A 14 5.187 11.582 5.491 1.00 0.00 N ATOM 200 CA GLN A 14 5.594 11.700 6.887 1.00 0.00 C ATOM 201 C GLN A 14 5.167 10.476 7.688 1.00 0.00 C ATOM 202 O GLN A 14 5.961 9.562 7.914 1.00 0.00 O ATOM 203 CB GLN A 14 4.992 12.962 7.509 1.00 0.00 C ATOM 204 CG GLN A 14 5.908 14.173 7.437 1.00 0.00 C ATOM 205 CD GLN A 14 5.322 15.299 6.610 1.00 0.00 C ATOM 206 OE1 GLN A 14 4.329 15.917 6.995 1.00 0.00 O ATOM 207 NE2 GLN A 14 5.936 15.574 5.465 1.00 0.00 N ATOM 0 H GLN A 14 4.467 10.881 5.319 1.00 0.00 H new ATOM 0 HA GLN A 14 6.682 11.768 6.915 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.055 13.195 7.003 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.749 12.762 8.553 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.107 14.534 8.446 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.866 13.875 7.011 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.756 15.037 5.184 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.587 16.323 4.866 1.00 0.00 H new ATOM 216 N ASN A 15 3.911 10.466 8.121 1.00 0.00 N ATOM 217 CA ASN A 15 3.380 9.355 8.903 1.00 0.00 C ATOM 218 C ASN A 15 3.492 8.045 8.133 1.00 0.00 C ATOM 219 O ASN A 15 3.991 7.047 8.654 1.00 0.00 O ATOM 220 CB ASN A 15 1.920 9.621 9.276 1.00 0.00 C ATOM 221 CG ASN A 15 1.755 10.885 10.096 1.00 0.00 C ATOM 222 OD1 ASN A 15 2.658 11.285 10.830 1.00 0.00 O ATOM 223 ND2 ASN A 15 0.596 11.523 9.973 1.00 0.00 N ATOM 0 H ASN A 15 3.241 11.215 7.944 1.00 0.00 H new ATOM 0 HA ASN A 15 3.971 9.268 9.815 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.324 9.700 8.367 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.531 8.772 9.839 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.428 12.380 10.499 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.125 11.155 9.352 1.00 0.00 H new ATOM 230 N GLY A 16 3.024 8.053 6.888 1.00 0.00 N ATOM 231 CA GLY A 16 3.084 6.859 6.066 1.00 0.00 C ATOM 232 C GLY A 16 1.819 6.030 6.153 1.00 0.00 C ATOM 233 O GLY A 16 0.858 6.271 5.422 1.00 0.00 O ATOM 0 H GLY A 16 2.605 8.865 6.435 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.257 7.145 5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.935 6.251 6.375 1.00 0.00 H new ATOM 237 N PHE A 17 1.817 5.049 7.050 1.00 0.00 N ATOM 238 CA PHE A 17 0.662 4.179 7.229 1.00 0.00 C ATOM 239 C PHE A 17 0.116 4.282 8.649 1.00 0.00 C ATOM 240 O PHE A 17 0.791 3.917 9.611 1.00 0.00 O ATOM 241 CB PHE A 17 1.041 2.729 6.925 1.00 0.00 C ATOM 242 CG PHE A 17 0.758 2.310 5.512 1.00 0.00 C ATOM 243 CD1 PHE A 17 -0.514 2.434 4.980 1.00 0.00 C ATOM 244 CD2 PHE A 17 1.761 1.773 4.721 1.00 0.00 C ATOM 245 CE1 PHE A 17 -0.780 2.040 3.682 1.00 0.00 C ATOM 246 CE2 PHE A 17 1.502 1.375 3.423 1.00 0.00 C ATOM 247 CZ PHE A 17 0.229 1.506 2.905 1.00 0.00 C ATOM 0 H PHE A 17 2.603 4.837 7.664 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.114 4.502 6.535 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.103 2.591 7.129 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.498 2.072 7.604 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.308 2.844 5.586 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.757 1.664 5.124 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.775 2.150 3.276 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.294 0.962 2.815 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.022 1.191 1.893 1.00 0.00 H new ATOM 257 N ASP A 18 -1.111 4.776 8.773 1.00 0.00 N ATOM 258 CA ASP A 18 -1.746 4.924 10.077 1.00 0.00 C ATOM 259 C ASP A 18 -2.431 3.629 10.500 1.00 0.00 C ATOM 260 O ASP A 18 -3.658 3.559 10.574 1.00 0.00 O ATOM 261 CB ASP A 18 -2.764 6.065 10.045 1.00 0.00 C ATOM 262 CG ASP A 18 -2.190 7.368 10.564 1.00 0.00 C ATOM 263 OD1 ASP A 18 -0.952 7.533 10.515 1.00 0.00 O ATOM 264 OD2 ASP A 18 -2.976 8.225 11.019 1.00 0.00 O ATOM 0 H ASP A 18 -1.685 5.080 7.987 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.970 5.158 10.806 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.114 6.207 9.022 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.632 5.790 10.644 1.00 0.00 H new ATOM 269 N VAL A 19 -1.631 2.604 10.780 1.00 0.00 N ATOM 270 CA VAL A 19 -2.162 1.312 11.198 1.00 0.00 C ATOM 271 C VAL A 19 -3.055 1.456 12.425 1.00 0.00 C ATOM 272 O VAL A 19 -3.993 0.683 12.618 1.00 0.00 O ATOM 273 CB VAL A 19 -1.030 0.318 11.516 1.00 0.00 C ATOM 274 CG1 VAL A 19 -0.234 -0.008 10.261 1.00 0.00 C ATOM 275 CG2 VAL A 19 -0.122 0.873 12.603 1.00 0.00 C ATOM 0 H VAL A 19 -0.613 2.644 10.725 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.752 0.927 10.366 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.477 -0.606 11.884 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.561 -0.712 10.507 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.894 -0.452 9.516 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.202 0.906 9.859 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.672 0.157 12.815 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.317 1.812 12.266 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.703 1.048 13.508 1.00 0.00 H new ATOM 285 N ASN A 20 -2.753 2.449 13.255 1.00 0.00 N ATOM 286 CA ASN A 20 -3.526 2.694 14.466 1.00 0.00 C ATOM 287 C ASN A 20 -4.986 2.985 14.134 1.00 0.00 C ATOM 288 O ASN A 20 -5.894 2.502 14.810 1.00 0.00 O ATOM 289 CB ASN A 20 -2.927 3.865 15.249 1.00 0.00 C ATOM 290 CG ASN A 20 -2.537 5.022 14.351 1.00 0.00 C ATOM 291 OD1 ASN A 20 -3.283 5.401 13.448 1.00 0.00 O ATOM 292 ND2 ASN A 20 -1.361 5.590 14.593 1.00 0.00 N ATOM 0 H ASN A 20 -1.978 3.097 13.111 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.485 1.794 15.080 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.649 4.211 15.989 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.049 3.521 15.796 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.045 6.372 14.020 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.774 5.244 15.352 1.00 0.00 H new ATOM 299 N ASN A 21 -5.203 3.782 13.092 1.00 0.00 N ATOM 300 CA ASN A 21 -6.553 4.142 12.676 1.00 0.00 C ATOM 301 C ASN A 21 -6.818 3.710 11.237 1.00 0.00 C ATOM 302 O ASN A 21 -7.509 4.400 10.489 1.00 0.00 O ATOM 303 CB ASN A 21 -6.765 5.650 12.815 1.00 0.00 C ATOM 304 CG ASN A 21 -7.980 5.989 13.657 1.00 0.00 C ATOM 305 OD1 ASN A 21 -9.084 5.515 13.393 1.00 0.00 O ATOM 306 ND2 ASN A 21 -7.781 6.817 14.677 1.00 0.00 N ATOM 0 H ASN A 21 -4.462 4.190 12.522 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.256 3.620 13.325 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.879 6.099 13.264 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.878 6.091 11.825 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.561 7.083 15.278 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.848 7.186 14.859 1.00 0.00 H new ATOM 313 N LEU A 22 -6.266 2.562 10.857 1.00 0.00 N ATOM 314 CA LEU A 22 -6.450 2.036 9.509 1.00 0.00 C ATOM 315 C LEU A 22 -7.907 1.653 9.272 1.00 0.00 C ATOM 316 O LEU A 22 -8.489 0.887 10.041 1.00 0.00 O ATOM 317 CB LEU A 22 -5.546 0.821 9.286 1.00 0.00 C ATOM 318 CG LEU A 22 -4.619 0.919 8.072 1.00 0.00 C ATOM 319 CD1 LEU A 22 -3.618 -0.227 8.072 1.00 0.00 C ATOM 320 CD2 LEU A 22 -5.427 0.927 6.784 1.00 0.00 C ATOM 0 H LEU A 22 -5.688 1.979 11.463 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.178 2.816 8.798 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.937 0.671 10.178 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.173 -0.064 9.175 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.066 1.856 8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.967 -0.141 7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.017 -0.185 8.980 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.152 -1.176 8.034 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.752 0.997 5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.007 0.007 6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.102 1.783 6.783 1.00 0.00 H new ATOM 332 N ASP A 23 -8.494 2.193 8.210 1.00 0.00 N ATOM 333 CA ASP A 23 -9.887 1.910 7.880 1.00 0.00 C ATOM 334 C ASP A 23 -10.126 0.405 7.771 1.00 0.00 C ATOM 335 O ASP A 23 -9.307 -0.321 7.209 1.00 0.00 O ATOM 336 CB ASP A 23 -10.273 2.595 6.569 1.00 0.00 C ATOM 337 CG ASP A 23 -11.775 2.729 6.408 1.00 0.00 C ATOM 338 OD1 ASP A 23 -12.400 1.789 5.873 1.00 0.00 O ATOM 339 OD2 ASP A 23 -12.325 3.772 6.817 1.00 0.00 O ATOM 0 H ASP A 23 -8.028 2.829 7.563 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.511 2.302 8.683 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.816 3.584 6.531 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.870 2.025 5.732 1.00 0.00 H new ATOM 344 N PRO A 24 -11.260 -0.086 8.304 1.00 0.00 N ATOM 345 CA PRO A 24 -11.600 -1.512 8.257 1.00 0.00 C ATOM 346 C PRO A 24 -11.547 -2.073 6.840 1.00 0.00 C ATOM 347 O PRO A 24 -10.825 -3.033 6.568 1.00 0.00 O ATOM 348 CB PRO A 24 -13.032 -1.559 8.794 1.00 0.00 C ATOM 349 CG PRO A 24 -13.162 -0.339 9.637 1.00 0.00 C ATOM 350 CD PRO A 24 -12.297 0.707 8.992 1.00 0.00 C ATOM 0 HA PRO A 24 -10.896 -2.115 8.831 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.759 -1.558 7.982 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.206 -2.463 9.377 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.200 -0.009 9.688 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -12.839 -0.535 10.659 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.863 1.322 8.292 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.864 1.382 9.730 1.00 0.00 H new ATOM 358 N ASP A 25 -12.316 -1.468 5.940 1.00 0.00 N ATOM 359 CA ASP A 25 -12.362 -1.908 4.549 1.00 0.00 C ATOM 360 C ASP A 25 -10.957 -2.089 3.984 1.00 0.00 C ATOM 361 O ASP A 25 -10.630 -3.138 3.429 1.00 0.00 O ATOM 362 CB ASP A 25 -13.139 -0.900 3.700 1.00 0.00 C ATOM 363 CG ASP A 25 -14.622 -1.207 3.651 1.00 0.00 C ATOM 364 OD1 ASP A 25 -15.014 -2.121 2.893 1.00 0.00 O ATOM 365 OD2 ASP A 25 -15.392 -0.538 4.371 1.00 0.00 O ATOM 0 H ASP A 25 -12.917 -0.671 6.149 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.871 -2.871 4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.991 0.101 4.104 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.738 -0.897 2.687 1.00 0.00 H new ATOM 370 N LEU A 26 -10.128 -1.061 4.133 1.00 0.00 N ATOM 371 CA LEU A 26 -8.755 -1.112 3.645 1.00 0.00 C ATOM 372 C LEU A 26 -7.932 -2.110 4.454 1.00 0.00 C ATOM 373 O LEU A 26 -6.957 -2.674 3.956 1.00 0.00 O ATOM 374 CB LEU A 26 -8.115 0.277 3.719 1.00 0.00 C ATOM 375 CG LEU A 26 -7.659 0.849 2.375 1.00 0.00 C ATOM 376 CD1 LEU A 26 -6.401 0.141 1.894 1.00 0.00 C ATOM 377 CD2 LEU A 26 -8.769 0.732 1.342 1.00 0.00 C ATOM 0 H LEU A 26 -10.383 -0.184 4.587 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.773 -1.440 2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.830 0.967 4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.255 0.230 4.388 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.427 1.905 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.091 0.560 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.604 0.278 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.605 -0.923 1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.427 1.144 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.033 -0.317 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.644 1.286 1.684 1.00 0.00 H new ATOM 389 N ARG A 27 -8.333 -2.323 5.703 1.00 0.00 N ATOM 390 CA ARG A 27 -7.639 -3.257 6.580 1.00 0.00 C ATOM 391 C ARG A 27 -7.561 -4.641 5.944 1.00 0.00 C ATOM 392 O ARG A 27 -6.520 -5.298 5.985 1.00 0.00 O ATOM 393 CB ARG A 27 -8.351 -3.346 7.932 1.00 0.00 C ATOM 394 CG ARG A 27 -7.404 -3.355 9.120 1.00 0.00 C ATOM 395 CD ARG A 27 -8.073 -2.807 10.370 1.00 0.00 C ATOM 396 NE ARG A 27 -9.454 -3.263 10.493 1.00 0.00 N ATOM 397 CZ ARG A 27 -10.335 -2.723 11.328 1.00 0.00 C ATOM 398 NH1 ARG A 27 -9.979 -1.713 12.110 1.00 0.00 N ATOM 399 NH2 ARG A 27 -11.574 -3.192 11.382 1.00 0.00 N ATOM 0 H ARG A 27 -9.136 -1.861 6.130 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.625 -2.887 6.734 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.034 -2.502 8.029 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.957 -4.252 7.955 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.062 -4.373 9.306 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.521 -2.759 8.888 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.509 -3.117 11.249 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.051 -1.717 10.345 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.760 -4.039 9.906 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.027 -1.349 12.071 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.657 -1.300 12.750 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.852 -3.969 10.782 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.249 -2.776 12.024 1.00 0.00 H new ATOM 413 N SER A 28 -8.668 -5.076 5.354 1.00 0.00 N ATOM 414 CA SER A 28 -8.727 -6.378 4.701 1.00 0.00 C ATOM 415 C SER A 28 -8.001 -6.344 3.362 1.00 0.00 C ATOM 416 O SER A 28 -7.503 -7.364 2.887 1.00 0.00 O ATOM 417 CB SER A 28 -10.181 -6.806 4.496 1.00 0.00 C ATOM 418 OG SER A 28 -10.878 -6.854 5.729 1.00 0.00 O ATOM 0 H SER A 28 -9.538 -4.545 5.314 1.00 0.00 H new ATOM 0 HA SER A 28 -8.232 -7.104 5.346 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.677 -6.108 3.821 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.211 -7.786 4.019 1.00 0.00 H new ATOM 0 HG SER A 28 -11.805 -7.128 5.570 1.00 0.00 H new ATOM 424 N LEU A 29 -7.944 -5.162 2.758 1.00 0.00 N ATOM 425 CA LEU A 29 -7.274 -4.992 1.474 1.00 0.00 C ATOM 426 C LEU A 29 -5.767 -5.205 1.605 1.00 0.00 C ATOM 427 O LEU A 29 -5.076 -5.431 0.611 1.00 0.00 O ATOM 428 CB LEU A 29 -7.562 -3.596 0.906 1.00 0.00 C ATOM 429 CG LEU A 29 -7.176 -3.382 -0.565 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.432 -4.637 -1.391 1.00 0.00 C ATOM 431 CD2 LEU A 29 -7.937 -2.201 -1.146 1.00 0.00 C ATOM 0 H LEU A 29 -8.353 -4.308 3.137 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.664 -5.744 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.627 -3.392 1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.032 -2.861 1.512 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.108 -3.166 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.149 -4.454 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.840 -5.461 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.490 -4.894 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.652 -2.062 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.008 -2.393 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.697 -1.300 -0.582 1.00 0.00 H new ATOM 443 N PHE A 30 -5.261 -5.141 2.835 1.00 0.00 N ATOM 444 CA PHE A 30 -3.838 -5.336 3.086 1.00 0.00 C ATOM 445 C PHE A 30 -3.567 -6.739 3.615 1.00 0.00 C ATOM 446 O PHE A 30 -2.835 -7.516 3.002 1.00 0.00 O ATOM 447 CB PHE A 30 -3.332 -4.296 4.088 1.00 0.00 C ATOM 448 CG PHE A 30 -2.930 -2.997 3.454 1.00 0.00 C ATOM 449 CD1 PHE A 30 -2.020 -2.973 2.412 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.462 -1.799 3.903 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.647 -1.779 1.826 1.00 0.00 C ATOM 452 CE2 PHE A 30 -3.093 -0.601 3.321 1.00 0.00 C ATOM 453 CZ PHE A 30 -2.183 -0.591 2.281 1.00 0.00 C ATOM 0 H PHE A 30 -5.816 -4.956 3.671 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.306 -5.214 2.142 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.112 -4.105 4.825 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.478 -4.708 4.626 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.596 -3.899 2.052 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.173 -1.801 4.716 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.937 -1.775 1.013 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.515 0.326 3.679 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.892 0.344 1.825 1.00 0.00 H new ATOM 463 N SER A 31 -4.166 -7.060 4.758 1.00 0.00 N ATOM 464 CA SER A 31 -3.991 -8.369 5.374 1.00 0.00 C ATOM 465 C SER A 31 -4.233 -9.486 4.365 1.00 0.00 C ATOM 466 O SER A 31 -3.652 -10.567 4.469 1.00 0.00 O ATOM 467 CB SER A 31 -4.945 -8.527 6.559 1.00 0.00 C ATOM 468 OG SER A 31 -4.377 -8.003 7.748 1.00 0.00 O ATOM 0 H SER A 31 -4.778 -6.429 5.276 1.00 0.00 H new ATOM 0 HA SER A 31 -2.962 -8.440 5.727 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.883 -8.015 6.345 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.182 -9.581 6.700 1.00 0.00 H new ATOM 0 HG SER A 31 -5.008 -8.115 8.489 1.00 0.00 H new ATOM 474 N ARG A 32 -5.095 -9.220 3.389 1.00 0.00 N ATOM 475 CA ARG A 32 -5.420 -10.207 2.367 1.00 0.00 C ATOM 476 C ARG A 32 -4.314 -10.303 1.322 1.00 0.00 C ATOM 477 O ARG A 32 -4.078 -11.367 0.750 1.00 0.00 O ATOM 478 CB ARG A 32 -6.746 -9.852 1.691 1.00 0.00 C ATOM 479 CG ARG A 32 -7.960 -10.091 2.574 1.00 0.00 C ATOM 480 CD ARG A 32 -9.227 -9.537 1.943 1.00 0.00 C ATOM 481 NE ARG A 32 -10.414 -10.281 2.354 1.00 0.00 N ATOM 482 CZ ARG A 32 -11.657 -9.864 2.136 1.00 0.00 C ATOM 483 NH1 ARG A 32 -11.871 -8.713 1.512 1.00 0.00 N ATOM 484 NH2 ARG A 32 -12.685 -10.596 2.541 1.00 0.00 N ATOM 0 H ARG A 32 -5.581 -8.329 3.285 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.514 -11.177 2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.724 -8.804 1.394 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.849 -10.440 0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.078 -11.160 2.750 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.802 -9.623 3.546 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.342 -8.489 2.221 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.136 -9.571 0.857 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.282 -11.171 2.835 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.082 -8.148 1.199 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.825 -8.393 1.345 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.523 -11.481 3.021 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.638 -10.274 2.373 1.00 0.00 H new ATOM 498 N ALA A 33 -3.638 -9.186 1.074 1.00 0.00 N ATOM 499 CA ALA A 33 -2.560 -9.149 0.093 1.00 0.00 C ATOM 500 C ALA A 33 -1.266 -9.711 0.673 1.00 0.00 C ATOM 501 O ALA A 33 -0.388 -10.160 -0.063 1.00 0.00 O ATOM 502 CB ALA A 33 -2.345 -7.726 -0.401 1.00 0.00 C ATOM 0 H ALA A 33 -3.817 -8.296 1.538 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.850 -9.776 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.537 -7.713 -1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.261 -7.360 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.083 -7.085 0.440 1.00 0.00 H new ATOM 508 N GLY A 34 -1.155 -9.688 1.999 1.00 0.00 N ATOM 509 CA GLY A 34 0.035 -10.202 2.651 1.00 0.00 C ATOM 510 C GLY A 34 0.927 -9.100 3.187 1.00 0.00 C ATOM 511 O GLY A 34 2.123 -9.065 2.897 1.00 0.00 O ATOM 0 H GLY A 34 -1.867 -9.323 2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.259 -10.858 3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.599 -10.809 1.943 1.00 0.00 H new ATOM 515 N ILE A 35 0.347 -8.199 3.971 1.00 0.00 N ATOM 516 CA ILE A 35 1.099 -7.091 4.549 1.00 0.00 C ATOM 517 C ILE A 35 0.887 -7.010 6.059 1.00 0.00 C ATOM 518 O ILE A 35 -0.233 -7.163 6.547 1.00 0.00 O ATOM 519 CB ILE A 35 0.700 -5.748 3.908 1.00 0.00 C ATOM 520 CG1 ILE A 35 0.910 -5.802 2.392 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.501 -4.608 4.518 1.00 0.00 C ATOM 522 CD1 ILE A 35 0.731 -4.466 1.705 1.00 0.00 C ATOM 0 H ILE A 35 -0.642 -8.214 4.221 1.00 0.00 H new ATOM 0 HA ILE A 35 2.153 -7.281 4.345 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.357 -5.568 4.106 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.913 -6.175 2.186 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.210 -6.518 1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.206 -3.667 4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.307 -4.560 5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.564 -4.779 4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.895 -4.583 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.281 -4.100 1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.449 -3.751 2.106 1.00 0.00 H new ATOM 534 N SER A 36 1.970 -6.769 6.791 1.00 0.00 N ATOM 535 CA SER A 36 1.904 -6.670 8.245 1.00 0.00 C ATOM 536 C SER A 36 2.494 -5.349 8.730 1.00 0.00 C ATOM 537 O SER A 36 3.175 -4.649 7.980 1.00 0.00 O ATOM 538 CB SER A 36 2.649 -7.840 8.889 1.00 0.00 C ATOM 539 OG SER A 36 1.765 -8.660 9.633 1.00 0.00 O ATOM 0 H SER A 36 2.904 -6.639 6.401 1.00 0.00 H new ATOM 0 HA SER A 36 0.855 -6.707 8.539 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.137 -8.434 8.116 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.434 -7.460 9.543 1.00 0.00 H new ATOM 0 HG SER A 36 2.265 -9.402 10.033 1.00 0.00 H new ATOM 545 N GLU A 37 2.235 -5.017 9.992 1.00 0.00 N ATOM 546 CA GLU A 37 2.732 -3.774 10.582 1.00 0.00 C ATOM 547 C GLU A 37 4.202 -3.544 10.237 1.00 0.00 C ATOM 548 O GLU A 37 4.616 -2.417 9.970 1.00 0.00 O ATOM 549 CB GLU A 37 2.554 -3.803 12.102 1.00 0.00 C ATOM 550 CG GLU A 37 1.544 -2.788 12.614 1.00 0.00 C ATOM 551 CD GLU A 37 1.974 -2.142 13.916 1.00 0.00 C ATOM 552 OE1 GLU A 37 3.063 -2.489 14.421 1.00 0.00 O ATOM 553 OE2 GLU A 37 1.222 -1.289 14.432 1.00 0.00 O ATOM 0 H GLU A 37 1.683 -5.592 10.628 1.00 0.00 H new ATOM 0 HA GLU A 37 2.152 -2.951 10.165 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.238 -4.802 12.404 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.517 -3.616 12.576 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.398 -2.015 11.860 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.582 -3.279 12.757 1.00 0.00 H new ATOM 560 N ALA A 38 4.983 -4.619 10.241 1.00 0.00 N ATOM 561 CA ALA A 38 6.405 -4.531 9.927 1.00 0.00 C ATOM 562 C ALA A 38 6.633 -3.753 8.634 1.00 0.00 C ATOM 563 O ALA A 38 7.631 -3.046 8.491 1.00 0.00 O ATOM 564 CB ALA A 38 7.009 -5.923 9.821 1.00 0.00 C ATOM 0 H ALA A 38 4.656 -5.561 10.458 1.00 0.00 H new ATOM 0 HA ALA A 38 6.899 -3.994 10.737 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.070 -5.842 9.586 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.886 -6.446 10.769 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.504 -6.479 9.031 1.00 0.00 H new ATOM 570 N GLN A 39 5.698 -3.884 7.699 1.00 0.00 N ATOM 571 CA GLN A 39 5.792 -3.190 6.420 1.00 0.00 C ATOM 572 C GLN A 39 5.246 -1.771 6.529 1.00 0.00 C ATOM 573 O GLN A 39 5.945 -0.800 6.238 1.00 0.00 O ATOM 574 CB GLN A 39 5.026 -3.959 5.341 1.00 0.00 C ATOM 575 CG GLN A 39 5.787 -5.152 4.787 1.00 0.00 C ATOM 576 CD GLN A 39 5.263 -6.473 5.315 1.00 0.00 C ATOM 577 OE1 GLN A 39 4.444 -7.131 4.673 1.00 0.00 O ATOM 578 NE2 GLN A 39 5.733 -6.868 6.493 1.00 0.00 N ATOM 0 H GLN A 39 4.866 -4.465 7.803 1.00 0.00 H new ATOM 0 HA GLN A 39 6.845 -3.136 6.142 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.079 -4.304 5.756 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.787 -3.279 4.523 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.720 -5.148 3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.842 -5.056 5.042 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.411 -6.291 6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.416 -7.748 6.900 1.00 0.00 H new ATOM 587 N LEU A 40 3.993 -1.660 6.957 1.00 0.00 N ATOM 588 CA LEU A 40 3.337 -0.371 7.093 1.00 0.00 C ATOM 589 C LEU A 40 4.083 0.540 8.062 1.00 0.00 C ATOM 590 O LEU A 40 4.318 1.712 7.769 1.00 0.00 O ATOM 591 CB LEU A 40 1.894 -0.578 7.564 1.00 0.00 C ATOM 592 CG LEU A 40 1.062 -1.579 6.744 1.00 0.00 C ATOM 593 CD1 LEU A 40 1.498 -1.605 5.285 1.00 0.00 C ATOM 594 CD2 LEU A 40 1.128 -2.971 7.354 1.00 0.00 C ATOM 0 H LEU A 40 3.410 -2.456 7.217 1.00 0.00 H new ATOM 0 HA LEU A 40 3.338 0.117 6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.914 -0.914 8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.385 0.386 7.551 1.00 0.00 H new ATOM 0 HG LEU A 40 0.025 -1.244 6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.889 -2.323 4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.371 -0.614 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.546 -1.897 5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.531 -3.659 6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.163 -3.311 7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.736 -2.942 8.371 1.00 0.00 H new ATOM 606 N THR A 41 4.447 0.000 9.220 1.00 0.00 N ATOM 607 CA THR A 41 5.160 0.773 10.230 1.00 0.00 C ATOM 608 C THR A 41 6.362 1.492 9.621 1.00 0.00 C ATOM 609 O THR A 41 6.788 2.536 10.115 1.00 0.00 O ATOM 610 CB THR A 41 5.620 -0.135 11.371 1.00 0.00 C ATOM 611 OG1 THR A 41 6.478 -1.153 10.887 1.00 0.00 O ATOM 612 CG2 THR A 41 4.476 -0.805 12.103 1.00 0.00 C ATOM 0 H THR A 41 4.261 -0.968 9.482 1.00 0.00 H new ATOM 0 HA THR A 41 4.474 1.522 10.626 1.00 0.00 H new ATOM 0 HB THR A 41 6.141 0.520 12.069 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.965 -1.776 10.331 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.873 -1.434 12.900 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.824 -0.045 12.532 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.907 -1.419 11.405 1.00 0.00 H new ATOM 620 N ASP A 42 6.900 0.927 8.546 1.00 0.00 N ATOM 621 CA ASP A 42 8.050 1.516 7.869 1.00 0.00 C ATOM 622 C ASP A 42 7.616 2.647 6.943 1.00 0.00 C ATOM 623 O ASP A 42 6.799 2.448 6.044 1.00 0.00 O ATOM 624 CB ASP A 42 8.799 0.448 7.069 1.00 0.00 C ATOM 625 CG ASP A 42 9.860 -0.254 7.893 1.00 0.00 C ATOM 626 OD1 ASP A 42 9.996 0.074 9.091 1.00 0.00 O ATOM 627 OD2 ASP A 42 10.555 -1.133 7.342 1.00 0.00 O ATOM 0 H ASP A 42 6.559 0.063 8.125 1.00 0.00 H new ATOM 0 HA ASP A 42 8.715 1.927 8.628 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.087 -0.288 6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.265 0.910 6.199 1.00 0.00 H new ATOM 632 N ALA A 43 8.166 3.835 7.171 1.00 0.00 N ATOM 633 CA ALA A 43 7.835 5.000 6.358 1.00 0.00 C ATOM 634 C ALA A 43 8.247 4.789 4.903 1.00 0.00 C ATOM 635 O ALA A 43 7.486 5.089 3.984 1.00 0.00 O ATOM 636 CB ALA A 43 8.502 6.245 6.922 1.00 0.00 C ATOM 0 H ALA A 43 8.843 4.017 7.912 1.00 0.00 H new ATOM 0 HA ALA A 43 6.754 5.137 6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.246 7.106 6.305 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.155 6.413 7.942 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.583 6.109 6.924 1.00 0.00 H new ATOM 642 N GLU A 44 9.455 4.275 4.704 1.00 0.00 N ATOM 643 CA GLU A 44 9.968 4.025 3.363 1.00 0.00 C ATOM 644 C GLU A 44 9.115 2.990 2.637 1.00 0.00 C ATOM 645 O GLU A 44 8.875 3.103 1.435 1.00 0.00 O ATOM 646 CB GLU A 44 11.420 3.546 3.432 1.00 0.00 C ATOM 647 CG GLU A 44 12.432 4.678 3.496 1.00 0.00 C ATOM 648 CD GLU A 44 13.861 4.177 3.593 1.00 0.00 C ATOM 649 OE1 GLU A 44 14.248 3.328 2.763 1.00 0.00 O ATOM 650 OE2 GLU A 44 14.591 4.634 4.496 1.00 0.00 O ATOM 0 H GLU A 44 10.098 4.023 5.455 1.00 0.00 H new ATOM 0 HA GLU A 44 9.925 4.960 2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.543 2.910 4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.632 2.929 2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.329 5.303 2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.213 5.309 4.358 1.00 0.00 H new ATOM 657 N THR A 45 8.665 1.982 3.374 1.00 0.00 N ATOM 658 CA THR A 45 7.842 0.924 2.802 1.00 0.00 C ATOM 659 C THR A 45 6.438 1.432 2.489 1.00 0.00 C ATOM 660 O THR A 45 5.784 0.949 1.564 1.00 0.00 O ATOM 661 CB THR A 45 7.765 -0.264 3.764 1.00 0.00 C ATOM 662 OG1 THR A 45 9.062 -0.749 4.064 1.00 0.00 O ATOM 663 CG2 THR A 45 6.955 -1.422 3.226 1.00 0.00 C ATOM 0 H THR A 45 8.856 1.875 4.370 1.00 0.00 H new ATOM 0 HA THR A 45 8.306 0.601 1.870 1.00 0.00 H new ATOM 0 HB THR A 45 7.269 0.119 4.656 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.993 -1.507 4.681 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.942 -2.229 3.959 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.934 -1.093 3.031 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.404 -1.780 2.300 1.00 0.00 H new ATOM 671 N SER A 46 5.980 2.409 3.264 1.00 0.00 N ATOM 672 CA SER A 46 4.654 2.984 3.066 1.00 0.00 C ATOM 673 C SER A 46 4.547 3.644 1.695 1.00 0.00 C ATOM 674 O SER A 46 3.686 3.288 0.889 1.00 0.00 O ATOM 675 CB SER A 46 4.350 4.008 4.161 1.00 0.00 C ATOM 676 OG SER A 46 4.317 3.393 5.438 1.00 0.00 O ATOM 0 H SER A 46 6.507 2.819 4.035 1.00 0.00 H new ATOM 0 HA SER A 46 3.924 2.176 3.120 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.107 4.792 4.151 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.392 4.487 3.960 1.00 0.00 H new ATOM 0 HG SER A 46 5.181 2.967 5.618 1.00 0.00 H new ATOM 682 N LYS A 47 5.424 4.609 1.438 1.00 0.00 N ATOM 683 CA LYS A 47 5.431 5.319 0.164 1.00 0.00 C ATOM 684 C LYS A 47 5.462 4.339 -1.004 1.00 0.00 C ATOM 685 O LYS A 47 4.679 4.453 -1.946 1.00 0.00 O ATOM 686 CB LYS A 47 6.638 6.257 0.087 1.00 0.00 C ATOM 687 CG LYS A 47 6.513 7.324 -0.986 1.00 0.00 C ATOM 688 CD LYS A 47 7.714 8.256 -0.990 1.00 0.00 C ATOM 689 CE LYS A 47 9.018 7.484 -1.108 1.00 0.00 C ATOM 690 NZ LYS A 47 10.184 8.388 -1.312 1.00 0.00 N ATOM 0 H LYS A 47 6.140 4.918 2.096 1.00 0.00 H new ATOM 0 HA LYS A 47 4.516 5.907 0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.773 6.741 1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.534 5.667 -0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.417 6.849 -1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.604 7.902 -0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.629 8.957 -1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.721 8.846 -0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.172 6.892 -0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.951 6.784 -1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.053 7.822 -1.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.050 8.935 -2.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.264 9.039 -0.505 1.00 0.00 H new ATOM 704 N LEU A 48 6.375 3.378 -0.936 1.00 0.00 N ATOM 705 CA LEU A 48 6.511 2.374 -1.983 1.00 0.00 C ATOM 706 C LEU A 48 5.181 1.676 -2.241 1.00 0.00 C ATOM 707 O LEU A 48 4.865 1.316 -3.375 1.00 0.00 O ATOM 708 CB LEU A 48 7.570 1.341 -1.590 1.00 0.00 C ATOM 709 CG LEU A 48 7.850 0.265 -2.642 1.00 0.00 C ATOM 710 CD1 LEU A 48 6.740 -0.775 -2.649 1.00 0.00 C ATOM 711 CD2 LEU A 48 8.006 0.892 -4.018 1.00 0.00 C ATOM 0 H LEU A 48 7.034 3.273 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 48 6.822 2.878 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.501 1.864 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.254 0.852 -0.668 1.00 0.00 H new ATOM 0 HG LEU A 48 8.785 -0.233 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.956 -1.532 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.677 -1.247 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.791 -0.292 -2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.205 0.112 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.089 1.417 -4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.837 1.597 -4.004 1.00 0.00 H new ATOM 723 N ILE A 49 4.405 1.484 -1.179 1.00 0.00 N ATOM 724 CA ILE A 49 3.113 0.823 -1.288 1.00 0.00 C ATOM 725 C ILE A 49 2.000 1.819 -1.598 1.00 0.00 C ATOM 726 O ILE A 49 0.947 1.440 -2.108 1.00 0.00 O ATOM 727 CB ILE A 49 2.758 0.063 0.004 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.892 -0.887 0.390 1.00 0.00 C ATOM 729 CG2 ILE A 49 1.455 -0.705 -0.174 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.917 -1.229 1.863 1.00 0.00 C ATOM 0 H ILE A 49 4.650 1.778 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 49 3.197 0.113 -2.110 1.00 0.00 H new ATOM 0 HB ILE A 49 2.625 0.786 0.808 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.797 -1.807 -0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.844 -0.434 0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.217 -1.237 0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.651 -0.008 -0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.563 -1.421 -0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.747 -1.906 2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.043 -0.317 2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.979 -1.711 2.141 1.00 0.00 H new ATOM 742 N TYR A 50 2.231 3.091 -1.281 1.00 0.00 N ATOM 743 CA TYR A 50 1.222 4.116 -1.523 1.00 0.00 C ATOM 744 C TYR A 50 0.859 4.177 -3.007 1.00 0.00 C ATOM 745 O TYR A 50 -0.219 4.649 -3.370 1.00 0.00 O ATOM 746 CB TYR A 50 1.678 5.488 -0.950 1.00 0.00 C ATOM 747 CG TYR A 50 1.760 6.630 -1.950 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.686 6.606 -2.985 1.00 0.00 C ATOM 749 CD2 TYR A 50 0.914 7.731 -1.853 1.00 0.00 C ATOM 750 CE1 TYR A 50 2.767 7.642 -3.895 1.00 0.00 C ATOM 751 CE2 TYR A 50 0.991 8.770 -2.759 1.00 0.00 C ATOM 752 CZ TYR A 50 1.918 8.721 -3.778 1.00 0.00 C ATOM 753 OH TYR A 50 1.997 9.755 -4.683 1.00 0.00 O ATOM 0 H TYR A 50 3.096 3.432 -0.862 1.00 0.00 H new ATOM 0 HA TYR A 50 0.309 3.848 -0.990 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.989 5.775 -0.155 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.659 5.361 -0.492 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.354 5.763 -3.080 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.186 7.773 -1.056 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.492 7.607 -4.694 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.328 9.618 -2.670 1.00 0.00 H new ATOM 0 HH TYR A 50 1.329 10.436 -4.460 1.00 0.00 H new ATOM 763 N ASP A 51 1.739 3.662 -3.856 1.00 0.00 N ATOM 764 CA ASP A 51 1.468 3.614 -5.285 1.00 0.00 C ATOM 765 C ASP A 51 0.194 2.809 -5.563 1.00 0.00 C ATOM 766 O ASP A 51 -0.401 2.928 -6.634 1.00 0.00 O ATOM 767 CB ASP A 51 2.651 2.993 -6.030 1.00 0.00 C ATOM 768 CG ASP A 51 3.528 4.037 -6.694 1.00 0.00 C ATOM 769 OD1 ASP A 51 3.081 4.646 -7.688 1.00 0.00 O ATOM 770 OD2 ASP A 51 4.666 4.243 -6.220 1.00 0.00 O ATOM 0 H ASP A 51 2.641 3.274 -3.581 1.00 0.00 H new ATOM 0 HA ASP A 51 1.322 4.634 -5.641 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.251 2.409 -5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.278 2.301 -6.786 1.00 0.00 H new ATOM 775 N PHE A 52 -0.224 2.000 -4.586 1.00 0.00 N ATOM 776 CA PHE A 52 -1.418 1.174 -4.734 1.00 0.00 C ATOM 777 C PHE A 52 -2.682 1.942 -4.352 1.00 0.00 C ATOM 778 O PHE A 52 -3.573 2.129 -5.179 1.00 0.00 O ATOM 779 CB PHE A 52 -1.297 -0.086 -3.875 1.00 0.00 C ATOM 780 CG PHE A 52 -2.508 -0.971 -3.934 1.00 0.00 C ATOM 781 CD1 PHE A 52 -2.699 -1.836 -4.999 1.00 0.00 C ATOM 782 CD2 PHE A 52 -3.458 -0.937 -2.926 1.00 0.00 C ATOM 783 CE1 PHE A 52 -3.814 -2.651 -5.058 1.00 0.00 C ATOM 784 CE2 PHE A 52 -4.574 -1.749 -2.978 1.00 0.00 C ATOM 785 CZ PHE A 52 -4.751 -2.608 -4.045 1.00 0.00 C ATOM 0 H PHE A 52 0.248 1.902 -3.687 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.498 0.892 -5.784 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.425 -0.655 -4.199 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.120 0.206 -2.840 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.968 -1.874 -5.793 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.324 -0.267 -2.089 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.952 -3.320 -5.895 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.307 -1.712 -2.186 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.622 -3.246 -4.087 1.00 0.00 H new ATOM 795 N ILE A 53 -2.765 2.377 -3.094 1.00 0.00 N ATOM 796 CA ILE A 53 -3.932 3.134 -2.638 1.00 0.00 C ATOM 797 C ILE A 53 -4.027 4.471 -3.372 1.00 0.00 C ATOM 798 O ILE A 53 -5.089 5.093 -3.407 1.00 0.00 O ATOM 799 CB ILE A 53 -4.004 3.326 -1.094 1.00 0.00 C ATOM 800 CG1 ILE A 53 -3.289 2.182 -0.366 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.462 3.396 -0.664 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.408 2.262 1.139 1.00 0.00 C ATOM 0 H ILE A 53 -2.051 2.222 -2.383 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.801 2.527 -2.890 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.501 4.256 -0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.700 1.232 -0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.234 2.189 -0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.517 3.530 0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.947 4.237 -1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.968 2.471 -0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.880 1.422 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.971 3.197 1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.460 2.224 1.423 1.00 0.00 H new ATOM 814 N GLU A 54 -2.920 4.898 -3.980 1.00 0.00 N ATOM 815 CA GLU A 54 -2.897 6.145 -4.735 1.00 0.00 C ATOM 816 C GLU A 54 -3.418 5.929 -6.152 1.00 0.00 C ATOM 817 O GLU A 54 -4.164 6.751 -6.684 1.00 0.00 O ATOM 818 CB GLU A 54 -1.475 6.711 -4.785 1.00 0.00 C ATOM 819 CG GLU A 54 -1.397 8.111 -5.374 1.00 0.00 C ATOM 820 CD GLU A 54 -1.160 8.101 -6.870 1.00 0.00 C ATOM 821 OE1 GLU A 54 -1.023 7.001 -7.444 1.00 0.00 O ATOM 822 OE2 GLU A 54 -1.110 9.196 -7.471 1.00 0.00 O ATOM 0 H GLU A 54 -2.031 4.398 -3.963 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.547 6.859 -4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.064 6.727 -3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.847 6.042 -5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.324 8.643 -5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.593 8.662 -4.886 1.00 0.00 H new ATOM 829 N ASP A 55 -3.016 4.815 -6.758 1.00 0.00 N ATOM 830 CA ASP A 55 -3.430 4.487 -8.118 1.00 0.00 C ATOM 831 C ASP A 55 -4.855 3.944 -8.143 1.00 0.00 C ATOM 832 O ASP A 55 -5.602 4.180 -9.092 1.00 0.00 O ATOM 833 CB ASP A 55 -2.471 3.461 -8.726 1.00 0.00 C ATOM 834 CG ASP A 55 -1.235 4.104 -9.322 1.00 0.00 C ATOM 835 OD1 ASP A 55 -1.372 5.148 -9.993 1.00 0.00 O ATOM 836 OD2 ASP A 55 -0.128 3.563 -9.119 1.00 0.00 O ATOM 0 H ASP A 55 -2.403 4.123 -6.327 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.403 5.402 -8.710 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.171 2.749 -7.957 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.991 2.896 -9.499 1.00 0.00 H new ATOM 841 N GLN A 56 -5.222 3.207 -7.100 1.00 0.00 N ATOM 842 CA GLN A 56 -6.558 2.628 -7.005 1.00 0.00 C ATOM 843 C GLN A 56 -7.634 3.705 -7.123 1.00 0.00 C ATOM 844 O GLN A 56 -8.785 3.411 -7.442 1.00 0.00 O ATOM 845 CB GLN A 56 -6.718 1.877 -5.681 1.00 0.00 C ATOM 846 CG GLN A 56 -6.082 0.497 -5.681 1.00 0.00 C ATOM 847 CD GLN A 56 -6.611 -0.390 -6.792 1.00 0.00 C ATOM 848 OE1 GLN A 56 -7.786 -0.758 -6.803 1.00 0.00 O ATOM 849 NE2 GLN A 56 -5.743 -0.739 -7.734 1.00 0.00 N ATOM 0 H GLN A 56 -4.614 2.996 -6.309 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.680 1.928 -7.832 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.276 2.471 -4.881 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -7.780 1.778 -5.456 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.002 0.599 -5.786 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.265 0.017 -4.720 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.778 -0.411 -7.685 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.041 -1.335 -8.506 1.00 0.00 H new ATOM 858 N GLY A 57 -7.253 4.953 -6.864 1.00 0.00 N ATOM 859 CA GLY A 57 -8.202 6.048 -6.935 1.00 0.00 C ATOM 860 C GLY A 57 -8.414 6.715 -5.590 1.00 0.00 C ATOM 861 O GLY A 57 -8.885 7.850 -5.519 1.00 0.00 O ATOM 0 H GLY A 57 -6.304 5.224 -6.606 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.847 6.788 -7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.156 5.675 -7.307 1.00 0.00 H new ATOM 865 N GLY A 58 -8.061 6.009 -4.520 1.00 0.00 N ATOM 866 CA GLY A 58 -8.222 6.551 -3.185 1.00 0.00 C ATOM 867 C GLY A 58 -8.679 5.504 -2.193 1.00 0.00 C ATOM 868 O GLY A 58 -9.550 4.695 -2.494 1.00 0.00 O ATOM 0 H GLY A 58 -7.666 5.069 -4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.276 6.976 -2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.946 7.365 -3.210 1.00 0.00 H new ATOM 872 N LEU A 59 -8.087 5.523 -1.009 1.00 0.00 N ATOM 873 CA LEU A 59 -8.416 4.563 0.038 1.00 0.00 C ATOM 874 C LEU A 59 -9.908 4.588 0.366 1.00 0.00 C ATOM 875 O LEU A 59 -10.588 3.565 0.282 1.00 0.00 O ATOM 876 CB LEU A 59 -7.601 4.923 1.275 1.00 0.00 C ATOM 877 CG LEU A 59 -8.158 4.462 2.625 1.00 0.00 C ATOM 878 CD1 LEU A 59 -7.029 4.240 3.618 1.00 0.00 C ATOM 879 CD2 LEU A 59 -9.144 5.491 3.153 1.00 0.00 C ATOM 0 H LEU A 59 -7.370 6.199 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.177 3.556 -0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.602 4.503 1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.490 6.007 1.305 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.679 3.514 2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.443 3.913 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.352 3.476 3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.481 5.172 3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.537 5.158 4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.638 6.448 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.965 5.605 2.445 1.00 0.00 H new ATOM 891 N GLU A 60 -10.416 5.767 0.710 1.00 0.00 N ATOM 892 CA GLU A 60 -11.836 5.924 0.992 1.00 0.00 C ATOM 893 C GLU A 60 -12.609 5.769 -0.303 1.00 0.00 C ATOM 894 O GLU A 60 -13.724 5.250 -0.329 1.00 0.00 O ATOM 895 CB GLU A 60 -12.120 7.287 1.627 1.00 0.00 C ATOM 896 CG GLU A 60 -11.914 8.460 0.682 1.00 0.00 C ATOM 897 CD GLU A 60 -13.220 9.075 0.220 1.00 0.00 C ATOM 898 OE1 GLU A 60 -14.192 8.319 0.009 1.00 0.00 O ATOM 899 OE2 GLU A 60 -13.273 10.314 0.071 1.00 0.00 O ATOM 0 H GLU A 60 -9.868 6.623 0.800 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.150 5.160 1.703 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.148 7.301 1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.474 7.414 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.315 9.222 1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.347 8.126 -0.187 1.00 0.00 H new ATOM 906 N ALA A 61 -11.962 6.179 -1.384 1.00 0.00 N ATOM 907 CA ALA A 61 -12.511 6.057 -2.715 1.00 0.00 C ATOM 908 C ALA A 61 -12.672 4.582 -3.094 1.00 0.00 C ATOM 909 O ALA A 61 -13.516 4.229 -3.917 1.00 0.00 O ATOM 910 CB ALA A 61 -11.590 6.780 -3.684 1.00 0.00 C ATOM 0 H ALA A 61 -11.037 6.607 -1.356 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.501 6.510 -2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.989 6.698 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.521 7.831 -3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.598 6.330 -3.648 1.00 0.00 H new ATOM 916 N VAL A 62 -11.859 3.728 -2.470 1.00 0.00 N ATOM 917 CA VAL A 62 -11.917 2.287 -2.699 1.00 0.00 C ATOM 918 C VAL A 62 -12.997 1.659 -1.826 1.00 0.00 C ATOM 919 O VAL A 62 -13.679 0.719 -2.236 1.00 0.00 O ATOM 920 CB VAL A 62 -10.558 1.614 -2.389 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.651 0.098 -2.514 1.00 0.00 C ATOM 922 CG2 VAL A 62 -9.470 2.160 -3.300 1.00 0.00 C ATOM 0 H VAL A 62 -11.148 4.015 -1.797 1.00 0.00 H new ATOM 0 HA VAL A 62 -12.154 2.129 -3.751 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.296 1.849 -1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.681 -0.346 -2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -11.394 -0.280 -1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.945 -0.166 -3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.522 1.675 -3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.733 1.962 -4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.374 3.235 -3.148 1.00 0.00 H new ATOM 932 N ARG A 63 -13.142 2.190 -0.615 1.00 0.00 N ATOM 933 CA ARG A 63 -14.131 1.697 0.336 1.00 0.00 C ATOM 934 C ARG A 63 -15.490 1.505 -0.332 1.00 0.00 C ATOM 935 O ARG A 63 -16.286 0.665 0.089 1.00 0.00 O ATOM 936 CB ARG A 63 -14.257 2.674 1.507 1.00 0.00 C ATOM 937 CG ARG A 63 -15.190 2.195 2.605 1.00 0.00 C ATOM 938 CD ARG A 63 -14.591 2.424 3.983 1.00 0.00 C ATOM 939 NE ARG A 63 -15.181 3.579 4.652 1.00 0.00 N ATOM 940 CZ ARG A 63 -16.364 3.554 5.258 1.00 0.00 C ATOM 941 NH1 ARG A 63 -17.077 2.436 5.280 1.00 0.00 N ATOM 942 NH2 ARG A 63 -16.834 4.646 5.845 1.00 0.00 N ATOM 0 H ARG A 63 -12.581 2.968 -0.268 1.00 0.00 H new ATOM 0 HA ARG A 63 -13.796 0.728 0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.268 2.847 1.932 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -14.614 3.633 1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -16.142 2.720 2.529 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -15.399 1.134 2.469 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -14.741 1.535 4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.515 2.570 3.891 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.657 4.454 4.655 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -16.718 1.593 4.831 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -17.984 2.419 5.746 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -16.288 5.507 5.832 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -17.742 4.625 6.309 1.00 0.00 H new ATOM 956 N GLN A 64 -15.743 2.283 -1.380 1.00 0.00 N ATOM 957 CA GLN A 64 -16.999 2.191 -2.114 1.00 0.00 C ATOM 958 C GLN A 64 -17.159 0.809 -2.738 1.00 0.00 C ATOM 959 O GLN A 64 -18.240 0.221 -2.699 1.00 0.00 O ATOM 960 CB GLN A 64 -17.053 3.264 -3.204 1.00 0.00 C ATOM 961 CG GLN A 64 -17.675 4.572 -2.742 1.00 0.00 C ATOM 962 CD GLN A 64 -17.092 5.065 -1.432 1.00 0.00 C ATOM 963 OE1 GLN A 64 -17.695 4.899 -0.371 1.00 0.00 O ATOM 964 NE2 GLN A 64 -15.916 5.678 -1.499 1.00 0.00 N ATOM 0 H GLN A 64 -15.095 2.984 -1.739 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.818 2.352 -1.413 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -16.042 3.459 -3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.621 2.881 -4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -17.527 5.331 -3.510 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -18.751 4.438 -2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.452 5.794 -2.400 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.477 6.033 -0.650 1.00 0.00 H new ATOM 973 N GLU A 65 -16.075 0.296 -3.311 1.00 0.00 N ATOM 974 CA GLU A 65 -16.092 -1.019 -3.941 1.00 0.00 C ATOM 975 C GLU A 65 -15.973 -2.124 -2.897 1.00 0.00 C ATOM 976 O GLU A 65 -16.743 -3.084 -2.906 1.00 0.00 O ATOM 977 CB GLU A 65 -14.953 -1.136 -4.955 1.00 0.00 C ATOM 978 CG GLU A 65 -14.873 -2.497 -5.625 1.00 0.00 C ATOM 979 CD GLU A 65 -15.014 -2.414 -7.132 1.00 0.00 C ATOM 980 OE1 GLU A 65 -16.159 -2.293 -7.615 1.00 0.00 O ATOM 981 OE2 GLU A 65 -13.979 -2.473 -7.829 1.00 0.00 O ATOM 0 H GLU A 65 -15.173 0.771 -3.352 1.00 0.00 H new ATOM 0 HA GLU A 65 -17.044 -1.134 -4.459 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -15.079 -0.370 -5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -14.008 -0.932 -4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.919 -2.964 -5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -15.656 -3.141 -5.225 1.00 0.00 H new ATOM 988 N MET A 66 -15.004 -1.981 -1.999 1.00 0.00 N ATOM 989 CA MET A 66 -14.787 -2.967 -0.947 1.00 0.00 C ATOM 990 C MET A 66 -16.077 -3.236 -0.179 1.00 0.00 C ATOM 991 O MET A 66 -16.257 -4.309 0.396 1.00 0.00 O ATOM 992 CB MET A 66 -13.699 -2.486 0.015 1.00 0.00 C ATOM 993 CG MET A 66 -12.354 -3.160 -0.201 1.00 0.00 C ATOM 994 SD MET A 66 -12.277 -4.805 0.532 1.00 0.00 S ATOM 995 CE MET A 66 -10.513 -5.114 0.483 1.00 0.00 C ATOM 0 H MET A 66 -14.357 -1.193 -1.979 1.00 0.00 H new ATOM 0 HA MET A 66 -14.464 -3.896 -1.416 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.578 -1.408 -0.096 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.026 -2.666 1.039 1.00 0.00 H new ATOM 0 HG2 MET A 66 -12.156 -3.233 -1.270 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.567 -2.538 0.227 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.328 -6.098 0.052 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.027 -4.353 -0.128 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.109 -5.079 1.495 1.00 0.00 H new ATOM 1181 N LEU A 81 -9.121 -7.083 -6.324 1.00 0.00 N ATOM 1182 CA LEU A 81 -8.681 -5.802 -5.785 1.00 0.00 C ATOM 1183 C LEU A 81 -7.467 -5.979 -4.878 1.00 0.00 C ATOM 1184 O LEU A 81 -6.670 -5.057 -4.707 1.00 0.00 O ATOM 1185 CB LEU A 81 -9.822 -5.135 -5.013 1.00 0.00 C ATOM 1186 CG LEU A 81 -9.418 -3.921 -4.175 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -8.640 -2.925 -5.020 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -10.646 -3.263 -3.565 1.00 0.00 C ATOM 0 HA LEU A 81 -8.393 -5.162 -6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.589 -4.827 -5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.276 -5.876 -4.355 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.772 -4.260 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.361 -2.068 -4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.740 -3.402 -5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.261 -2.590 -5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.340 -2.401 -2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.317 -2.937 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.162 -3.979 -2.925 1.00 0.00 H new ATOM 1200 N VAL A 82 -7.329 -7.168 -4.300 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.210 -7.463 -3.414 1.00 0.00 C ATOM 1202 C VAL A 82 -4.992 -7.933 -4.202 1.00 0.00 C ATOM 1203 O VAL A 82 -3.864 -7.532 -3.918 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.582 -8.539 -2.376 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -5.415 -8.804 -1.439 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -7.820 -8.123 -1.597 1.00 0.00 C ATOM 0 H VAL A 82 -7.979 -7.943 -4.430 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.967 -6.536 -2.894 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.809 -9.465 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.697 -9.567 -0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.557 -9.151 -2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.153 -7.885 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.068 -8.895 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.625 -7.184 -1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.655 -7.991 -2.285 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.229 -8.789 -5.192 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.141 -9.298 -6.006 1.00 0.00 C ATOM 1218 C GLY A 83 -3.245 -8.194 -6.532 1.00 0.00 C ATOM 1219 O GLY A 83 -2.021 -8.328 -6.536 1.00 0.00 O ATOM 0 H GLY A 83 -6.154 -9.138 -5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.546 -9.995 -5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.551 -9.860 -6.845 1.00 0.00 H new ATOM 1223 N ALA A 84 -3.856 -7.101 -6.976 1.00 0.00 N ATOM 1224 CA ALA A 84 -3.107 -5.968 -7.505 1.00 0.00 C ATOM 1225 C ALA A 84 -2.040 -5.510 -6.517 1.00 0.00 C ATOM 1226 O ALA A 84 -0.923 -5.169 -6.908 1.00 0.00 O ATOM 1227 CB ALA A 84 -4.050 -4.822 -7.839 1.00 0.00 C ATOM 0 H ALA A 84 -4.868 -6.976 -6.980 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.606 -6.287 -8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.477 -3.983 -8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.772 -5.151 -8.586 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.577 -4.510 -6.937 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.391 -5.505 -5.236 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.464 -5.090 -4.190 1.00 0.00 C ATOM 1235 C LEU A 85 -0.307 -6.079 -4.068 1.00 0.00 C ATOM 1236 O LEU A 85 0.847 -5.680 -3.914 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.200 -4.963 -2.852 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.307 -4.885 -1.607 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -0.097 -4.000 -1.864 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -2.100 -4.370 -0.416 1.00 0.00 C ATOM 0 H LEU A 85 -3.312 -5.784 -4.897 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.053 -4.117 -4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.825 -4.070 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.869 -5.817 -2.744 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.951 -5.890 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.521 -3.960 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.486 -4.411 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.430 -2.994 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.452 -4.321 0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.486 -3.375 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.932 -5.045 -0.214 1.00 0.00 H new ATOM 1252 N MET A 86 -0.623 -7.367 -4.144 1.00 0.00 N ATOM 1253 CA MET A 86 0.392 -8.409 -4.046 1.00 0.00 C ATOM 1254 C MET A 86 1.522 -8.162 -5.041 1.00 0.00 C ATOM 1255 O MET A 86 2.660 -8.573 -4.818 1.00 0.00 O ATOM 1256 CB MET A 86 -0.233 -9.784 -4.295 1.00 0.00 C ATOM 1257 CG MET A 86 -1.323 -10.144 -3.300 1.00 0.00 C ATOM 1258 SD MET A 86 -1.615 -11.920 -3.200 1.00 0.00 S ATOM 1259 CE MET A 86 -3.338 -11.951 -2.711 1.00 0.00 C ATOM 0 H MET A 86 -1.573 -7.714 -4.273 1.00 0.00 H new ATOM 0 HA MET A 86 0.808 -8.384 -3.039 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.649 -9.808 -5.302 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.549 -10.542 -4.255 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.048 -9.769 -2.314 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.248 -9.643 -3.584 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.784 -12.900 -3.010 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.411 -11.840 -1.629 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.869 -11.132 -3.196 1.00 0.00 H new ATOM 1269 N HIS A 87 1.198 -7.484 -6.138 1.00 0.00 N ATOM 1270 CA HIS A 87 2.186 -7.173 -7.165 1.00 0.00 C ATOM 1271 C HIS A 87 3.058 -5.991 -6.748 1.00 0.00 C ATOM 1272 O HIS A 87 4.163 -5.813 -7.260 1.00 0.00 O ATOM 1273 CB HIS A 87 1.491 -6.865 -8.493 1.00 0.00 C ATOM 1274 CG HIS A 87 0.662 -7.998 -9.014 1.00 0.00 C ATOM 1275 ND1 HIS A 87 0.017 -7.961 -10.232 1.00 0.00 N ATOM 1276 CD2 HIS A 87 0.372 -9.206 -8.475 1.00 0.00 C ATOM 1277 CE1 HIS A 87 -0.633 -9.095 -10.420 1.00 0.00 C ATOM 1278 NE2 HIS A 87 -0.433 -9.868 -9.369 1.00 0.00 N ATOM 0 H HIS A 87 0.259 -7.140 -6.338 1.00 0.00 H new ATOM 0 HA HIS A 87 2.827 -8.045 -7.290 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.855 -5.989 -8.366 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.245 -6.606 -9.236 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.711 -9.579 -7.520 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -1.227 -9.347 -11.286 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -0.815 -10.805 -9.242 1.00 0.00 H new ATOM 1287 N VAL A 88 2.553 -5.185 -5.818 1.00 0.00 N ATOM 1288 CA VAL A 88 3.288 -4.023 -5.333 1.00 0.00 C ATOM 1289 C VAL A 88 4.177 -4.382 -4.145 1.00 0.00 C ATOM 1290 O VAL A 88 5.116 -3.655 -3.821 1.00 0.00 O ATOM 1291 CB VAL A 88 2.331 -2.889 -4.917 1.00 0.00 C ATOM 1292 CG1 VAL A 88 3.117 -1.673 -4.448 1.00 0.00 C ATOM 1293 CG2 VAL A 88 1.402 -2.524 -6.064 1.00 0.00 C ATOM 0 H VAL A 88 1.638 -5.316 -5.386 1.00 0.00 H new ATOM 0 HA VAL A 88 3.914 -3.681 -6.158 1.00 0.00 H new ATOM 0 HB VAL A 88 1.720 -3.241 -4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.425 -0.882 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.734 -1.947 -3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.755 -1.318 -5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.734 -1.722 -5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.992 -2.192 -6.918 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.813 -3.396 -6.347 1.00 0.00 H new ATOM 1303 N MET A 89 3.860 -5.490 -3.481 1.00 0.00 N ATOM 1304 CA MET A 89 4.630 -5.934 -2.328 1.00 0.00 C ATOM 1305 C MET A 89 5.885 -6.676 -2.767 1.00 0.00 C ATOM 1306 O MET A 89 6.881 -6.713 -2.046 1.00 0.00 O ATOM 1307 CB MET A 89 3.776 -6.839 -1.437 1.00 0.00 C ATOM 1308 CG MET A 89 3.279 -6.156 -0.175 1.00 0.00 C ATOM 1309 SD MET A 89 4.588 -5.898 1.038 1.00 0.00 S ATOM 1310 CE MET A 89 4.730 -4.113 1.007 1.00 0.00 C ATOM 0 H MET A 89 3.075 -6.095 -3.723 1.00 0.00 H new ATOM 0 HA MET A 89 4.929 -5.053 -1.761 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.919 -7.194 -2.009 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.360 -7.717 -1.159 1.00 0.00 H new ATOM 0 HG2 MET A 89 2.837 -5.195 -0.437 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.488 -6.759 0.272 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.310 -3.779 1.867 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.231 -3.804 0.089 1.00 0.00 H new ATOM 0 HE3 MET A 89 3.736 -3.668 1.045 1.00 0.00 H new ATOM 1320 N GLN A 90 5.831 -7.264 -3.957 1.00 0.00 N ATOM 1321 CA GLN A 90 6.966 -8.008 -4.488 1.00 0.00 C ATOM 1322 C GLN A 90 8.107 -7.067 -4.856 1.00 0.00 C ATOM 1323 O GLN A 90 9.281 -7.433 -4.773 1.00 0.00 O ATOM 1324 CB GLN A 90 6.555 -8.831 -5.703 1.00 0.00 C ATOM 1325 CG GLN A 90 5.654 -8.073 -6.647 1.00 0.00 C ATOM 1326 CD GLN A 90 5.923 -8.394 -8.104 1.00 0.00 C ATOM 1327 OE1 GLN A 90 6.757 -9.240 -8.423 1.00 0.00 O ATOM 1328 NE2 GLN A 90 5.214 -7.715 -9.000 1.00 0.00 N ATOM 0 H GLN A 90 5.016 -7.240 -4.570 1.00 0.00 H new ATOM 0 HA GLN A 90 7.312 -8.687 -3.709 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.449 -9.150 -6.239 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.045 -9.734 -5.368 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.615 -8.306 -6.415 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.785 -7.003 -6.486 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.532 -7.022 -8.692 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.352 -7.887 -9.996 1.00 0.00 H new ATOM 1337 N LYS A 91 7.756 -5.850 -5.261 1.00 0.00 N ATOM 1338 CA LYS A 91 8.748 -4.854 -5.642 1.00 0.00 C ATOM 1339 C LYS A 91 9.733 -4.601 -4.505 1.00 0.00 C ATOM 1340 O LYS A 91 10.890 -4.253 -4.739 1.00 0.00 O ATOM 1341 CB LYS A 91 8.060 -3.546 -6.036 1.00 0.00 C ATOM 1342 CG LYS A 91 8.236 -3.183 -7.501 1.00 0.00 C ATOM 1343 CD LYS A 91 9.641 -2.677 -7.786 1.00 0.00 C ATOM 1344 CE LYS A 91 9.650 -1.182 -8.058 1.00 0.00 C ATOM 1345 NZ LYS A 91 10.364 -0.426 -6.992 1.00 0.00 N ATOM 0 H LYS A 91 6.790 -5.531 -5.333 1.00 0.00 H new ATOM 0 HA LYS A 91 9.302 -5.239 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.995 -3.624 -5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.455 -2.738 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.030 -4.056 -8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.510 -2.418 -7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.287 -2.897 -6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.052 -3.207 -8.645 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.127 -0.991 -9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.624 -0.821 -8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.347 0.589 -7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.894 -0.587 -6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.350 -0.752 -6.936 1.00 0.00 H new ATOM 1359 N ARG A 92 9.265 -4.779 -3.274 1.00 0.00 N ATOM 1360 CA ARG A 92 10.104 -4.571 -2.100 1.00 0.00 C ATOM 1361 C ARG A 92 10.982 -5.790 -1.835 1.00 0.00 C ATOM 1362 O ARG A 92 12.202 -5.675 -1.715 1.00 0.00 O ATOM 1363 CB ARG A 92 9.238 -4.275 -0.875 1.00 0.00 C ATOM 1364 CG ARG A 92 9.898 -3.345 0.129 1.00 0.00 C ATOM 1365 CD ARG A 92 10.993 -4.056 0.910 1.00 0.00 C ATOM 1366 NE ARG A 92 10.496 -5.251 1.583 1.00 0.00 N ATOM 1367 CZ ARG A 92 11.282 -6.138 2.185 1.00 0.00 C ATOM 1368 NH1 ARG A 92 12.597 -5.962 2.198 1.00 0.00 N ATOM 1369 NH2 ARG A 92 10.754 -7.202 2.774 1.00 0.00 N ATOM 0 H ARG A 92 8.309 -5.067 -3.064 1.00 0.00 H new ATOM 0 HA ARG A 92 10.751 -3.716 -2.294 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.298 -3.832 -1.204 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.992 -5.214 -0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.320 -2.486 -0.392 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.147 -2.961 0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.801 -4.331 0.232 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.414 -3.373 1.648 1.00 0.00 H new ATOM 0 HE ARG A 92 9.489 -5.415 1.592 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.007 -5.145 1.745 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.198 -6.644 2.661 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.744 -7.341 2.766 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.358 -7.882 3.236 1.00 0.00 H new ATOM 1383 N SER A 93 10.353 -6.958 -1.747 1.00 0.00 N ATOM 1384 CA SER A 93 11.078 -8.199 -1.495 1.00 0.00 C ATOM 1385 C SER A 93 12.096 -8.471 -2.598 1.00 0.00 C ATOM 1386 O SER A 93 13.079 -9.180 -2.385 1.00 0.00 O ATOM 1387 CB SER A 93 10.102 -9.372 -1.387 1.00 0.00 C ATOM 1388 OG SER A 93 9.051 -9.253 -2.332 1.00 0.00 O ATOM 0 H SER A 93 9.344 -7.071 -1.846 1.00 0.00 H new ATOM 0 HA SER A 93 11.613 -8.091 -0.551 1.00 0.00 H new ATOM 0 HB2 SER A 93 10.636 -10.309 -1.549 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.687 -9.411 -0.380 1.00 0.00 H new ATOM 0 HG SER A 93 9.369 -8.755 -3.114 1.00 0.00 H new