USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=10 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 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -2.89 K(o=-2.9,f=-9.2!) USER MOD Single : A 20 ASN : amide:sc= -0.0293 K(o=-0.029,f=-1.1) USER MOD Single : A 21 ASN : amide:sc= -2.99! C(o=-3!,f=-3.3!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 82:sc= 0.403 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot -5:sc= 0.687 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.521 USER MOD Single : A 46 SER OG : rot -84:sc= -1.95 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= -0.119 K(o=-0.12,f=-0.76) USER MOD Single : A 64 GLN : amide:sc= -0.562 X(o=-0.56,f=-0.29) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -115:sc= -0.888 (180deg=-4.21!) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 MET CE :methyl -140:sc= -0.115 (180deg=-0.386) USER MOD Single : A 90 GLN : amide:sc= -0.0132 K(o=-0.013,f=-1.1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N VAL A 9 -6.361 13.532 0.147 1.00 0.00 N ATOM 127 CA VAL A 9 -5.684 12.288 0.539 1.00 0.00 C ATOM 128 C VAL A 9 -5.638 12.102 2.056 1.00 0.00 C ATOM 129 O VAL A 9 -5.751 13.054 2.826 1.00 0.00 O ATOM 130 CB VAL A 9 -4.251 12.187 -0.041 1.00 0.00 C ATOM 131 CG1 VAL A 9 -3.395 13.369 0.380 1.00 0.00 C ATOM 132 CG2 VAL A 9 -3.592 10.880 0.380 1.00 0.00 C ATOM 0 HA VAL A 9 -6.285 11.485 0.112 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.334 12.204 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.397 13.265 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.848 14.293 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.325 13.399 1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.586 10.828 -0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.536 10.835 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.181 10.040 0.012 1.00 0.00 H new ATOM 142 N GLY A 10 -5.495 10.851 2.477 1.00 0.00 N ATOM 143 CA GLY A 10 -5.424 10.546 3.890 1.00 0.00 C ATOM 144 C GLY A 10 -3.998 10.305 4.347 1.00 0.00 C ATOM 145 O GLY A 10 -3.605 10.724 5.436 1.00 0.00 O ATOM 0 H GLY A 10 -5.427 10.041 1.861 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.854 11.369 4.461 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.027 9.663 4.101 1.00 0.00 H new ATOM 149 N TRP A 11 -3.214 9.643 3.497 1.00 0.00 N ATOM 150 CA TRP A 11 -1.820 9.357 3.805 1.00 0.00 C ATOM 151 C TRP A 11 -0.987 10.638 3.757 1.00 0.00 C ATOM 152 O TRP A 11 -1.037 11.392 2.785 1.00 0.00 O ATOM 153 CB TRP A 11 -1.267 8.291 2.834 1.00 0.00 C ATOM 154 CG TRP A 11 0.224 8.323 2.638 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.146 7.512 3.235 1.00 0.00 C ATOM 156 CD2 TRP A 11 0.961 9.207 1.784 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.410 7.839 2.807 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.322 8.876 1.915 1.00 0.00 C ATOM 159 CE3 TRP A 11 0.600 10.246 0.921 1.00 0.00 C ATOM 160 CZ2 TRP A 11 3.324 9.546 1.218 1.00 0.00 C ATOM 161 CZ3 TRP A 11 1.596 10.911 0.229 1.00 0.00 C ATOM 162 CH2 TRP A 11 2.942 10.559 0.380 1.00 0.00 C ATOM 0 H TRP A 11 -3.524 9.296 2.589 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.757 8.957 4.817 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.549 7.305 3.202 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.749 8.419 1.865 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.915 6.728 3.941 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.273 7.384 3.105 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.436 10.524 0.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.363 9.277 1.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.330 11.716 -0.440 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.695 11.098 -0.176 1.00 0.00 H new ATOM 173 N ASP A 12 -0.216 10.863 4.813 1.00 0.00 N ATOM 174 CA ASP A 12 0.645 12.035 4.897 1.00 0.00 C ATOM 175 C ASP A 12 2.108 11.640 4.697 1.00 0.00 C ATOM 176 O ASP A 12 2.592 10.700 5.327 1.00 0.00 O ATOM 177 CB ASP A 12 0.472 12.723 6.253 1.00 0.00 C ATOM 178 CG ASP A 12 -0.810 13.526 6.336 1.00 0.00 C ATOM 179 OD1 ASP A 12 -0.919 14.544 5.620 1.00 0.00 O ATOM 180 OD2 ASP A 12 -1.707 13.137 7.113 1.00 0.00 O ATOM 0 H ASP A 12 -0.169 10.247 5.625 1.00 0.00 H new ATOM 0 HA ASP A 12 0.359 12.729 4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.478 11.971 7.042 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.322 13.381 6.434 1.00 0.00 H new ATOM 185 N PRO A 13 2.832 12.344 3.810 1.00 0.00 N ATOM 186 CA PRO A 13 4.240 12.045 3.534 1.00 0.00 C ATOM 187 C PRO A 13 5.090 12.045 4.801 1.00 0.00 C ATOM 188 O PRO A 13 4.798 12.765 5.755 1.00 0.00 O ATOM 189 CB PRO A 13 4.675 13.178 2.599 1.00 0.00 C ATOM 190 CG PRO A 13 3.413 13.659 1.971 1.00 0.00 C ATOM 191 CD PRO A 13 2.341 13.479 3.008 1.00 0.00 C ATOM 0 HA PRO A 13 4.366 11.051 3.104 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.172 13.977 3.150 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.380 12.822 1.848 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.498 14.705 1.675 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.184 13.090 1.070 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.214 14.375 3.615 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.374 13.262 2.554 1.00 0.00 H new ATOM 199 N GLN A 14 6.142 11.232 4.800 1.00 0.00 N ATOM 200 CA GLN A 14 7.044 11.143 5.945 1.00 0.00 C ATOM 201 C GLN A 14 6.377 10.472 7.147 1.00 0.00 C ATOM 202 O GLN A 14 6.944 10.445 8.239 1.00 0.00 O ATOM 203 CB GLN A 14 7.527 12.539 6.339 1.00 0.00 C ATOM 204 CG GLN A 14 8.983 12.802 5.991 1.00 0.00 C ATOM 205 CD GLN A 14 9.438 14.190 6.400 1.00 0.00 C ATOM 206 OE1 GLN A 14 10.356 14.343 7.204 1.00 0.00 O ATOM 207 NE2 GLN A 14 8.793 15.210 5.847 1.00 0.00 N ATOM 0 H GLN A 14 6.391 10.625 4.019 1.00 0.00 H new ATOM 0 HA GLN A 14 7.892 10.527 5.647 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.904 13.283 5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.389 12.672 7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 14 9.610 12.058 6.482 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.124 12.679 4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.037 15.037 5.184 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.053 16.167 6.085 1.00 0.00 H new ATOM 216 N ASN A 15 5.177 9.933 6.950 1.00 0.00 N ATOM 217 CA ASN A 15 4.455 9.273 8.031 1.00 0.00 C ATOM 218 C ASN A 15 4.092 7.841 7.656 1.00 0.00 C ATOM 219 O ASN A 15 4.501 6.890 8.324 1.00 0.00 O ATOM 220 CB ASN A 15 3.186 10.056 8.377 1.00 0.00 C ATOM 221 CG ASN A 15 3.403 11.556 8.344 1.00 0.00 C ATOM 222 OD1 ASN A 15 2.868 12.253 7.483 1.00 0.00 O ATOM 223 ND2 ASN A 15 4.191 12.060 9.287 1.00 0.00 N ATOM 0 H ASN A 15 4.687 9.941 6.056 1.00 0.00 H new ATOM 0 HA ASN A 15 5.109 9.245 8.902 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.396 9.791 7.674 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.841 9.764 9.369 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.373 13.063 9.317 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.614 11.444 9.981 1.00 0.00 H new ATOM 230 N GLY A 16 3.315 7.693 6.588 1.00 0.00 N ATOM 231 CA GLY A 16 2.904 6.373 6.147 1.00 0.00 C ATOM 232 C GLY A 16 1.454 6.077 6.481 1.00 0.00 C ATOM 233 O GLY A 16 0.572 6.896 6.224 1.00 0.00 O ATOM 0 H GLY A 16 2.963 8.464 6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.050 6.291 5.070 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.542 5.622 6.613 1.00 0.00 H new ATOM 237 N PHE A 17 1.206 4.904 7.059 1.00 0.00 N ATOM 238 CA PHE A 17 -0.148 4.509 7.431 1.00 0.00 C ATOM 239 C PHE A 17 -0.410 4.776 8.908 1.00 0.00 C ATOM 240 O PHE A 17 0.481 4.630 9.744 1.00 0.00 O ATOM 241 CB PHE A 17 -0.380 3.023 7.134 1.00 0.00 C ATOM 242 CG PHE A 17 -0.105 2.634 5.711 1.00 0.00 C ATOM 243 CD1 PHE A 17 1.192 2.422 5.274 1.00 0.00 C ATOM 244 CD2 PHE A 17 -1.148 2.454 4.819 1.00 0.00 C ATOM 245 CE1 PHE A 17 1.444 2.053 3.968 1.00 0.00 C ATOM 246 CE2 PHE A 17 -0.901 2.086 3.511 1.00 0.00 C ATOM 247 CZ PHE A 17 0.396 1.881 3.085 1.00 0.00 C ATOM 0 H PHE A 17 1.923 4.213 7.279 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.839 5.107 6.836 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.254 2.428 7.791 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.413 2.772 7.375 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.015 2.547 5.962 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.165 2.603 5.149 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.460 1.899 3.637 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.722 1.959 2.821 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.591 1.587 2.064 1.00 0.00 H new ATOM 257 N ASP A 18 -1.646 5.149 9.224 1.00 0.00 N ATOM 258 CA ASP A 18 -2.040 5.402 10.604 1.00 0.00 C ATOM 259 C ASP A 18 -2.853 4.230 11.143 1.00 0.00 C ATOM 260 O ASP A 18 -4.002 4.392 11.553 1.00 0.00 O ATOM 261 CB ASP A 18 -2.857 6.694 10.696 1.00 0.00 C ATOM 262 CG ASP A 18 -2.765 7.342 12.063 1.00 0.00 C ATOM 263 OD1 ASP A 18 -3.158 6.693 13.056 1.00 0.00 O ATOM 264 OD2 ASP A 18 -2.297 8.498 12.143 1.00 0.00 O ATOM 0 H ASP A 18 -2.392 5.283 8.542 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.139 5.514 11.207 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.506 7.397 9.940 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.901 6.477 10.470 1.00 0.00 H new ATOM 269 N VAL A 19 -2.250 3.043 11.116 1.00 0.00 N ATOM 270 CA VAL A 19 -2.912 1.819 11.565 1.00 0.00 C ATOM 271 C VAL A 19 -3.753 2.047 12.819 1.00 0.00 C ATOM 272 O VAL A 19 -4.775 1.391 13.019 1.00 0.00 O ATOM 273 CB VAL A 19 -1.890 0.704 11.851 1.00 0.00 C ATOM 274 CG1 VAL A 19 -1.072 0.397 10.607 1.00 0.00 C ATOM 275 CG2 VAL A 19 -0.986 1.096 13.011 1.00 0.00 C ATOM 0 H VAL A 19 -1.296 2.902 10.785 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.570 1.514 10.751 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.432 -0.199 12.131 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.355 -0.394 10.829 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.736 0.071 9.806 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.538 1.293 10.292 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.269 0.297 13.200 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.450 2.012 12.761 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.590 1.260 13.903 1.00 0.00 H new ATOM 285 N ASN A 20 -3.321 2.981 13.658 1.00 0.00 N ATOM 286 CA ASN A 20 -4.043 3.289 14.885 1.00 0.00 C ATOM 287 C ASN A 20 -5.497 3.625 14.576 1.00 0.00 C ATOM 288 O ASN A 20 -6.408 3.216 15.295 1.00 0.00 O ATOM 289 CB ASN A 20 -3.376 4.459 15.611 1.00 0.00 C ATOM 290 CG ASN A 20 -4.075 4.812 16.907 1.00 0.00 C ATOM 291 OD1 ASN A 20 -4.809 4.004 17.474 1.00 0.00 O ATOM 292 ND2 ASN A 20 -3.847 6.030 17.382 1.00 0.00 N ATOM 0 H ASN A 20 -2.478 3.536 13.512 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.018 2.412 15.532 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.336 4.208 15.820 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.368 5.331 14.957 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.288 6.329 18.252 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.230 6.667 16.878 1.00 0.00 H new ATOM 299 N ASN A 21 -5.703 4.354 13.485 1.00 0.00 N ATOM 300 CA ASN A 21 -7.044 4.722 13.050 1.00 0.00 C ATOM 301 C ASN A 21 -7.294 4.233 11.627 1.00 0.00 C ATOM 302 O ASN A 21 -8.100 4.805 10.893 1.00 0.00 O ATOM 303 CB ASN A 21 -7.230 6.239 13.123 1.00 0.00 C ATOM 304 CG ASN A 21 -6.379 6.975 12.107 1.00 0.00 C ATOM 305 OD1 ASN A 21 -6.408 6.667 10.916 1.00 0.00 O ATOM 306 ND2 ASN A 21 -5.615 7.956 12.575 1.00 0.00 N ATOM 0 H ASN A 21 -4.956 4.702 12.884 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.765 4.247 13.716 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.280 6.482 12.958 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.976 6.586 14.125 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.021 8.488 11.939 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.622 8.177 13.571 1.00 0.00 H new ATOM 313 N LEU A 22 -6.585 3.175 11.241 1.00 0.00 N ATOM 314 CA LEU A 22 -6.715 2.608 9.904 1.00 0.00 C ATOM 315 C LEU A 22 -8.172 2.298 9.577 1.00 0.00 C ATOM 316 O LEU A 22 -8.981 2.048 10.471 1.00 0.00 O ATOM 317 CB LEU A 22 -5.870 1.335 9.786 1.00 0.00 C ATOM 318 CG LEU A 22 -4.777 1.378 8.711 1.00 0.00 C ATOM 319 CD1 LEU A 22 -3.996 2.685 8.771 1.00 0.00 C ATOM 320 CD2 LEU A 22 -3.852 0.172 8.818 1.00 0.00 C ATOM 0 H LEU A 22 -5.913 2.693 11.838 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.355 3.346 9.188 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.402 1.137 10.750 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.533 0.496 9.575 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.266 1.332 7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.228 2.686 7.997 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.675 3.522 8.610 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.525 2.783 9.749 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.087 0.230 8.043 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.375 0.165 9.798 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.430 -0.743 8.689 1.00 0.00 H new ATOM 332 N ASP A 23 -8.499 2.314 8.288 1.00 0.00 N ATOM 333 CA ASP A 23 -9.855 2.026 7.839 1.00 0.00 C ATOM 334 C ASP A 23 -10.122 0.520 7.867 1.00 0.00 C ATOM 335 O ASP A 23 -9.446 -0.246 7.180 1.00 0.00 O ATOM 336 CB ASP A 23 -10.069 2.572 6.426 1.00 0.00 C ATOM 337 CG ASP A 23 -10.800 3.902 6.426 1.00 0.00 C ATOM 338 OD1 ASP A 23 -10.377 4.811 7.170 1.00 0.00 O ATOM 339 OD2 ASP A 23 -11.795 4.032 5.683 1.00 0.00 O ATOM 0 H ASP A 23 -7.842 2.524 7.536 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.555 2.514 8.517 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.103 2.691 5.935 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.637 1.848 5.841 1.00 0.00 H new ATOM 344 N PRO A 24 -11.099 0.068 8.674 1.00 0.00 N ATOM 345 CA PRO A 24 -11.431 -1.354 8.791 1.00 0.00 C ATOM 346 C PRO A 24 -11.511 -2.052 7.438 1.00 0.00 C ATOM 347 O PRO A 24 -11.250 -3.251 7.331 1.00 0.00 O ATOM 348 CB PRO A 24 -12.799 -1.336 9.468 1.00 0.00 C ATOM 349 CG PRO A 24 -12.787 -0.098 10.295 1.00 0.00 C ATOM 350 CD PRO A 24 -11.956 0.905 9.538 1.00 0.00 C ATOM 0 HA PRO A 24 -10.671 -1.907 9.343 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.605 -1.316 8.735 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.950 -2.223 10.083 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -13.799 0.275 10.453 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -12.362 -0.292 11.280 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.579 1.580 8.951 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.363 1.524 10.212 1.00 0.00 H new ATOM 358 N ASP A 25 -11.874 -1.299 6.404 1.00 0.00 N ATOM 359 CA ASP A 25 -11.989 -1.859 5.062 1.00 0.00 C ATOM 360 C ASP A 25 -10.614 -2.166 4.479 1.00 0.00 C ATOM 361 O ASP A 25 -10.305 -3.317 4.173 1.00 0.00 O ATOM 362 CB ASP A 25 -12.741 -0.895 4.143 1.00 0.00 C ATOM 363 CG ASP A 25 -13.732 -1.611 3.246 1.00 0.00 C ATOM 364 OD1 ASP A 25 -13.984 -2.812 3.480 1.00 0.00 O ATOM 365 OD2 ASP A 25 -14.256 -0.971 2.310 1.00 0.00 O ATOM 0 H ASP A 25 -12.092 -0.305 6.469 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.550 -2.791 5.134 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.269 -0.157 4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.025 -0.350 3.528 1.00 0.00 H new ATOM 370 N LEU A 26 -9.789 -1.133 4.332 1.00 0.00 N ATOM 371 CA LEU A 26 -8.445 -1.309 3.797 1.00 0.00 C ATOM 372 C LEU A 26 -7.599 -2.179 4.717 1.00 0.00 C ATOM 373 O LEU A 26 -6.688 -2.872 4.264 1.00 0.00 O ATOM 374 CB LEU A 26 -7.766 0.018 3.564 1.00 0.00 C ATOM 375 CG LEU A 26 -7.005 0.043 2.250 1.00 0.00 C ATOM 376 CD1 LEU A 26 -7.688 0.960 1.262 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.568 0.431 2.484 1.00 0.00 C ATOM 0 H LEU A 26 -10.027 -0.171 4.575 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.543 -1.814 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.512 0.813 3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.079 0.223 4.385 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.006 -0.957 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.130 0.967 0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.702 0.605 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.725 1.970 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.035 0.445 1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.528 1.422 2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.100 -0.292 3.152 1.00 0.00 H new ATOM 389 N ARG A 27 -7.910 -2.148 6.009 1.00 0.00 N ATOM 390 CA ARG A 27 -7.184 -2.957 6.982 1.00 0.00 C ATOM 391 C ARG A 27 -7.142 -4.412 6.531 1.00 0.00 C ATOM 392 O ARG A 27 -6.165 -5.121 6.768 1.00 0.00 O ATOM 393 CB ARG A 27 -7.839 -2.855 8.359 1.00 0.00 C ATOM 394 CG ARG A 27 -6.840 -2.830 9.503 1.00 0.00 C ATOM 395 CD ARG A 27 -7.458 -3.335 10.795 1.00 0.00 C ATOM 396 NE ARG A 27 -7.680 -2.256 11.752 1.00 0.00 N ATOM 397 CZ ARG A 27 -6.707 -1.683 12.453 1.00 0.00 C ATOM 398 NH1 ARG A 27 -5.453 -2.088 12.305 1.00 0.00 N ATOM 399 NH2 ARG A 27 -6.987 -0.705 13.303 1.00 0.00 N ATOM 0 H ARG A 27 -8.655 -1.575 6.405 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.164 -2.579 7.052 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.447 -1.951 8.398 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.515 -3.699 8.495 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.977 -3.445 9.247 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.475 -1.813 9.646 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.406 -3.826 10.576 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.805 -4.086 11.240 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.634 -1.923 11.891 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.234 -2.841 11.652 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.708 -1.647 12.844 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.950 -0.391 13.420 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.239 -0.266 13.840 1.00 0.00 H new ATOM 413 N SER A 28 -8.211 -4.842 5.869 1.00 0.00 N ATOM 414 CA SER A 28 -8.294 -6.201 5.351 1.00 0.00 C ATOM 415 C SER A 28 -7.651 -6.281 3.972 1.00 0.00 C ATOM 416 O SER A 28 -7.104 -7.316 3.589 1.00 0.00 O ATOM 417 CB SER A 28 -9.754 -6.653 5.274 1.00 0.00 C ATOM 418 OG SER A 28 -10.358 -6.646 6.555 1.00 0.00 O ATOM 0 H SER A 28 -9.032 -4.268 5.679 1.00 0.00 H new ATOM 0 HA SER A 28 -7.756 -6.863 6.030 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.307 -5.994 4.604 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.806 -7.656 4.850 1.00 0.00 H new ATOM 0 HG SER A 28 -11.291 -6.937 6.478 1.00 0.00 H new ATOM 424 N LEU A 29 -7.713 -5.176 3.235 1.00 0.00 N ATOM 425 CA LEU A 29 -7.122 -5.110 1.905 1.00 0.00 C ATOM 426 C LEU A 29 -5.645 -5.483 1.959 1.00 0.00 C ATOM 427 O LEU A 29 -5.092 -6.017 0.996 1.00 0.00 O ATOM 428 CB LEU A 29 -7.284 -3.705 1.320 1.00 0.00 C ATOM 429 CG LEU A 29 -6.862 -3.561 -0.144 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.687 -2.483 -0.831 1.00 0.00 C ATOM 431 CD2 LEU A 29 -5.377 -3.245 -0.242 1.00 0.00 C ATOM 0 H LEU A 29 -8.167 -4.314 3.538 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.641 -5.822 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.329 -3.408 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.700 -3.008 1.921 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.044 -4.508 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.374 -2.393 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.743 -2.752 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.536 -1.530 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.094 -3.146 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.169 -2.311 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.803 -4.051 0.214 1.00 0.00 H new ATOM 443 N PHE A 30 -5.014 -5.201 3.094 1.00 0.00 N ATOM 444 CA PHE A 30 -3.602 -5.509 3.283 1.00 0.00 C ATOM 445 C PHE A 30 -3.420 -6.954 3.728 1.00 0.00 C ATOM 446 O PHE A 30 -2.602 -7.688 3.174 1.00 0.00 O ATOM 447 CB PHE A 30 -2.989 -4.562 4.315 1.00 0.00 C ATOM 448 CG PHE A 30 -2.535 -3.257 3.728 1.00 0.00 C ATOM 449 CD1 PHE A 30 -1.546 -3.228 2.759 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.104 -2.062 4.135 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.127 -2.032 2.211 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.690 -0.861 3.592 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.701 -0.846 2.628 1.00 0.00 C ATOM 0 H PHE A 30 -5.460 -4.759 3.898 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.092 -5.374 2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.722 -4.365 5.097 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.140 -5.054 4.790 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.097 -4.153 2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.880 -2.069 4.886 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.353 -2.023 1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.139 0.065 3.921 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.377 0.091 2.201 1.00 0.00 H new ATOM 463 N SER A 31 -4.194 -7.360 4.729 1.00 0.00 N ATOM 464 CA SER A 31 -4.127 -8.723 5.239 1.00 0.00 C ATOM 465 C SER A 31 -4.399 -9.731 4.126 1.00 0.00 C ATOM 466 O SER A 31 -3.965 -10.880 4.197 1.00 0.00 O ATOM 467 CB SER A 31 -5.135 -8.914 6.374 1.00 0.00 C ATOM 468 OG SER A 31 -5.128 -7.803 7.255 1.00 0.00 O ATOM 0 H SER A 31 -4.874 -6.765 5.202 1.00 0.00 H new ATOM 0 HA SER A 31 -3.121 -8.894 5.623 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.134 -9.047 5.959 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.897 -9.822 6.927 1.00 0.00 H new ATOM 0 HG SER A 31 -5.682 -7.086 6.881 1.00 0.00 H new ATOM 474 N ARG A 32 -5.118 -9.289 3.098 1.00 0.00 N ATOM 475 CA ARG A 32 -5.448 -10.151 1.969 1.00 0.00 C ATOM 476 C ARG A 32 -4.344 -10.121 0.917 1.00 0.00 C ATOM 477 O ARG A 32 -4.185 -11.067 0.145 1.00 0.00 O ATOM 478 CB ARG A 32 -6.776 -9.718 1.345 1.00 0.00 C ATOM 479 CG ARG A 32 -7.995 -10.213 2.104 1.00 0.00 C ATOM 480 CD ARG A 32 -9.244 -9.436 1.719 1.00 0.00 C ATOM 481 NE ARG A 32 -10.263 -10.298 1.129 1.00 0.00 N ATOM 482 CZ ARG A 32 -11.069 -11.081 1.841 1.00 0.00 C ATOM 483 NH1 ARG A 32 -10.973 -11.106 3.163 1.00 0.00 N ATOM 484 NH2 ARG A 32 -11.971 -11.837 1.231 1.00 0.00 N ATOM 0 H ARG A 32 -5.483 -8.339 3.024 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.542 -11.172 2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.807 -8.630 1.295 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.823 -10.085 0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.147 -11.273 1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.821 -10.117 3.176 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.652 -8.944 2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.979 -8.651 1.011 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.363 -10.300 0.114 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.281 -10.524 3.635 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.592 -11.707 3.708 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.048 -11.819 0.214 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.588 -12.437 1.779 1.00 0.00 H new ATOM 498 N ALA A 33 -3.586 -9.029 0.890 1.00 0.00 N ATOM 499 CA ALA A 33 -2.497 -8.882 -0.070 1.00 0.00 C ATOM 500 C ALA A 33 -1.168 -9.364 0.509 1.00 0.00 C ATOM 501 O ALA A 33 -0.105 -9.081 -0.045 1.00 0.00 O ATOM 502 CB ALA A 33 -2.382 -7.433 -0.519 1.00 0.00 C ATOM 0 H ALA A 33 -3.705 -8.235 1.520 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.729 -9.506 -0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.566 -7.338 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.315 -7.123 -0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.183 -6.799 0.345 1.00 0.00 H new ATOM 508 N GLY A 34 -1.228 -10.094 1.621 1.00 0.00 N ATOM 509 CA GLY A 34 -0.017 -10.606 2.236 1.00 0.00 C ATOM 510 C GLY A 34 0.857 -9.511 2.819 1.00 0.00 C ATOM 511 O GLY A 34 2.083 -9.576 2.732 1.00 0.00 O ATOM 0 H GLY A 34 -2.092 -10.339 2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.285 -11.309 3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.554 -11.163 1.493 1.00 0.00 H new ATOM 515 N ILE A 35 0.227 -8.507 3.420 1.00 0.00 N ATOM 516 CA ILE A 35 0.959 -7.403 4.029 1.00 0.00 C ATOM 517 C ILE A 35 0.547 -7.212 5.485 1.00 0.00 C ATOM 518 O ILE A 35 -0.601 -7.459 5.852 1.00 0.00 O ATOM 519 CB ILE A 35 0.736 -6.083 3.269 1.00 0.00 C ATOM 520 CG1 ILE A 35 0.875 -6.307 1.763 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.720 -5.024 3.742 1.00 0.00 C ATOM 522 CD1 ILE A 35 0.592 -5.069 0.943 1.00 0.00 C ATOM 0 H ILE A 35 -0.787 -8.435 3.498 1.00 0.00 H new ATOM 0 HA ILE A 35 2.016 -7.663 3.979 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.275 -5.731 3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.885 -6.654 1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.193 -7.100 1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.548 -4.097 3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.579 -4.847 4.808 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.739 -5.368 3.563 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.709 -5.299 -0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.428 -4.733 1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.291 -4.280 1.222 1.00 0.00 H new ATOM 534 N SER A 36 1.490 -6.769 6.308 1.00 0.00 N ATOM 535 CA SER A 36 1.223 -6.547 7.723 1.00 0.00 C ATOM 536 C SER A 36 1.668 -5.152 8.150 1.00 0.00 C ATOM 537 O SER A 36 2.193 -4.383 7.345 1.00 0.00 O ATOM 538 CB SER A 36 1.937 -7.604 8.568 1.00 0.00 C ATOM 539 OG SER A 36 1.008 -8.389 9.294 1.00 0.00 O ATOM 0 H SER A 36 2.445 -6.557 6.020 1.00 0.00 H new ATOM 0 HA SER A 36 0.148 -6.629 7.882 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.535 -8.247 7.922 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.625 -7.118 9.259 1.00 0.00 H new ATOM 0 HG SER A 36 1.489 -9.058 9.825 1.00 0.00 H new ATOM 545 N GLU A 37 1.456 -4.835 9.422 1.00 0.00 N ATOM 546 CA GLU A 37 1.836 -3.534 9.960 1.00 0.00 C ATOM 547 C GLU A 37 3.291 -3.216 9.637 1.00 0.00 C ATOM 548 O GLU A 37 3.628 -2.081 9.295 1.00 0.00 O ATOM 549 CB GLU A 37 1.620 -3.505 11.475 1.00 0.00 C ATOM 550 CG GLU A 37 0.775 -2.333 11.947 1.00 0.00 C ATOM 551 CD GLU A 37 -0.105 -2.688 13.129 1.00 0.00 C ATOM 552 OE1 GLU A 37 0.426 -3.226 14.124 1.00 0.00 O ATOM 553 OE2 GLU A 37 -1.325 -2.429 13.060 1.00 0.00 O ATOM 0 H GLU A 37 1.023 -5.461 10.100 1.00 0.00 H new ATOM 0 HA GLU A 37 1.206 -2.777 9.494 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.141 -4.435 11.783 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.590 -3.466 11.971 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.429 -1.505 12.221 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.150 -1.986 11.124 1.00 0.00 H new ATOM 560 N ALA A 38 4.151 -4.222 9.748 1.00 0.00 N ATOM 561 CA ALA A 38 5.571 -4.050 9.468 1.00 0.00 C ATOM 562 C ALA A 38 5.786 -3.364 8.123 1.00 0.00 C ATOM 563 O ALA A 38 6.482 -2.352 8.035 1.00 0.00 O ATOM 564 CB ALA A 38 6.281 -5.396 9.493 1.00 0.00 C ATOM 0 H ALA A 38 3.889 -5.166 10.030 1.00 0.00 H new ATOM 0 HA ALA A 38 5.994 -3.413 10.245 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.341 -5.252 9.282 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.165 -5.850 10.477 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.846 -6.051 8.738 1.00 0.00 H new ATOM 570 N GLN A 39 5.184 -3.920 7.078 1.00 0.00 N ATOM 571 CA GLN A 39 5.308 -3.362 5.737 1.00 0.00 C ATOM 572 C GLN A 39 4.727 -1.954 5.675 1.00 0.00 C ATOM 573 O GLN A 39 5.180 -1.118 4.893 1.00 0.00 O ATOM 574 CB GLN A 39 4.597 -4.261 4.724 1.00 0.00 C ATOM 575 CG GLN A 39 5.508 -5.298 4.086 1.00 0.00 C ATOM 576 CD GLN A 39 5.446 -6.641 4.788 1.00 0.00 C ATOM 577 OE1 GLN A 39 5.962 -6.801 5.894 1.00 0.00 O ATOM 578 NE2 GLN A 39 4.813 -7.616 4.145 1.00 0.00 N ATOM 0 H GLN A 39 4.605 -4.758 7.134 1.00 0.00 H new ATOM 0 HA GLN A 39 6.368 -3.309 5.490 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.771 -4.771 5.220 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.163 -3.639 3.941 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.230 -5.426 3.040 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.535 -4.932 4.100 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.400 -7.439 3.229 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.740 -8.542 4.567 1.00 0.00 H new ATOM 587 N LEU A 40 3.718 -1.700 6.501 1.00 0.00 N ATOM 588 CA LEU A 40 3.068 -0.394 6.537 1.00 0.00 C ATOM 589 C LEU A 40 3.900 0.608 7.330 1.00 0.00 C ATOM 590 O LEU A 40 4.032 1.768 6.938 1.00 0.00 O ATOM 591 CB LEU A 40 1.672 -0.515 7.150 1.00 0.00 C ATOM 592 CG LEU A 40 0.739 -1.502 6.444 1.00 0.00 C ATOM 593 CD1 LEU A 40 -0.600 -1.576 7.161 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.547 -1.102 4.988 1.00 0.00 C ATOM 0 H LEU A 40 3.332 -2.381 7.155 1.00 0.00 H new ATOM 0 HA LEU A 40 2.978 -0.032 5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.774 -0.817 8.192 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.204 0.469 7.148 1.00 0.00 H new ATOM 0 HG LEU A 40 1.196 -2.491 6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.250 -2.282 6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.445 -1.908 8.188 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.066 -0.590 7.165 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.119 -1.814 4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.110 -0.104 4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.512 -1.101 4.481 1.00 0.00 H new ATOM 606 N THR A 41 4.456 0.156 8.449 1.00 0.00 N ATOM 607 CA THR A 41 5.273 1.014 9.299 1.00 0.00 C ATOM 608 C THR A 41 6.563 1.413 8.592 1.00 0.00 C ATOM 609 O THR A 41 7.069 2.521 8.780 1.00 0.00 O ATOM 610 CB THR A 41 5.597 0.303 10.614 1.00 0.00 C ATOM 611 OG1 THR A 41 6.173 -0.968 10.367 1.00 0.00 O ATOM 612 CG2 THR A 41 4.387 0.097 11.499 1.00 0.00 C ATOM 0 H THR A 41 4.356 -0.801 8.789 1.00 0.00 H new ATOM 0 HA THR A 41 4.704 1.919 9.513 1.00 0.00 H new ATOM 0 HB THR A 41 6.296 0.959 11.133 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.165 -1.149 9.404 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.688 -0.412 12.414 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.950 1.064 11.749 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.650 -0.509 10.972 1.00 0.00 H new ATOM 620 N ASP A 42 7.092 0.506 7.777 1.00 0.00 N ATOM 621 CA ASP A 42 8.324 0.766 7.041 1.00 0.00 C ATOM 622 C ASP A 42 8.239 2.092 6.291 1.00 0.00 C ATOM 623 O ASP A 42 7.429 2.249 5.377 1.00 0.00 O ATOM 624 CB ASP A 42 8.605 -0.373 6.058 1.00 0.00 C ATOM 625 CG ASP A 42 10.060 -0.799 6.067 1.00 0.00 C ATOM 626 OD1 ASP A 42 10.605 -1.027 7.168 1.00 0.00 O ATOM 627 OD2 ASP A 42 10.654 -0.906 4.975 1.00 0.00 O ATOM 0 H ASP A 42 6.687 -0.415 7.610 1.00 0.00 H new ATOM 0 HA ASP A 42 9.142 0.827 7.759 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.977 -1.228 6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.328 -0.058 5.052 1.00 0.00 H new ATOM 632 N ALA A 43 9.082 3.042 6.683 1.00 0.00 N ATOM 633 CA ALA A 43 9.101 4.356 6.050 1.00 0.00 C ATOM 634 C ALA A 43 9.440 4.247 4.567 1.00 0.00 C ATOM 635 O ALA A 43 9.002 5.064 3.758 1.00 0.00 O ATOM 636 CB ALA A 43 10.092 5.267 6.757 1.00 0.00 C ATOM 0 H ALA A 43 9.761 2.927 7.436 1.00 0.00 H new ATOM 0 HA ALA A 43 8.104 4.788 6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.096 6.244 6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.802 5.379 7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.090 4.831 6.703 1.00 0.00 H new ATOM 642 N GLU A 44 10.222 3.231 4.217 1.00 0.00 N ATOM 643 CA GLU A 44 10.619 3.014 2.831 1.00 0.00 C ATOM 644 C GLU A 44 9.508 2.319 2.050 1.00 0.00 C ATOM 645 O GLU A 44 9.124 2.765 0.968 1.00 0.00 O ATOM 646 CB GLU A 44 11.900 2.178 2.773 1.00 0.00 C ATOM 647 CG GLU A 44 12.864 2.617 1.683 1.00 0.00 C ATOM 648 CD GLU A 44 12.620 1.907 0.365 1.00 0.00 C ATOM 649 OE1 GLU A 44 12.105 0.770 0.390 1.00 0.00 O ATOM 650 OE2 GLU A 44 12.947 2.489 -0.692 1.00 0.00 O ATOM 0 H GLU A 44 10.593 2.545 4.874 1.00 0.00 H new ATOM 0 HA GLU A 44 10.806 3.986 2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.405 2.235 3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.635 1.133 2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.772 3.693 1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.886 2.427 2.010 1.00 0.00 H new ATOM 657 N THR A 45 8.995 1.227 2.606 1.00 0.00 N ATOM 658 CA THR A 45 7.925 0.475 1.965 1.00 0.00 C ATOM 659 C THR A 45 6.633 1.285 1.934 1.00 0.00 C ATOM 660 O THR A 45 5.887 1.243 0.957 1.00 0.00 O ATOM 661 CB THR A 45 7.689 -0.847 2.701 1.00 0.00 C ATOM 662 OG1 THR A 45 8.918 -1.418 3.112 1.00 0.00 O ATOM 663 CG2 THR A 45 6.959 -1.877 1.866 1.00 0.00 C ATOM 0 H THR A 45 9.304 0.844 3.499 1.00 0.00 H new ATOM 0 HA THR A 45 8.229 0.265 0.939 1.00 0.00 H new ATOM 0 HB THR A 45 7.066 -0.592 3.558 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.746 -2.261 3.582 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.825 -2.789 2.448 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.984 -1.485 1.576 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.541 -2.100 0.972 1.00 0.00 H new ATOM 671 N SER A 46 6.381 2.031 3.007 1.00 0.00 N ATOM 672 CA SER A 46 5.173 2.847 3.106 1.00 0.00 C ATOM 673 C SER A 46 4.933 3.637 1.824 1.00 0.00 C ATOM 674 O SER A 46 3.902 3.478 1.171 1.00 0.00 O ATOM 675 CB SER A 46 5.275 3.804 4.294 1.00 0.00 C ATOM 676 OG SER A 46 6.585 4.331 4.414 1.00 0.00 O ATOM 0 H SER A 46 6.996 2.087 3.819 1.00 0.00 H new ATOM 0 HA SER A 46 4.328 2.175 3.257 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.562 4.619 4.171 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.005 3.280 5.211 1.00 0.00 H new ATOM 0 HG SER A 46 7.149 3.697 4.904 1.00 0.00 H new ATOM 682 N LYS A 47 5.896 4.476 1.461 1.00 0.00 N ATOM 683 CA LYS A 47 5.791 5.269 0.243 1.00 0.00 C ATOM 684 C LYS A 47 5.662 4.357 -0.970 1.00 0.00 C ATOM 685 O LYS A 47 4.904 4.641 -1.898 1.00 0.00 O ATOM 686 CB LYS A 47 7.013 6.177 0.090 1.00 0.00 C ATOM 687 CG LYS A 47 6.781 7.357 -0.838 1.00 0.00 C ATOM 688 CD LYS A 47 7.384 7.113 -2.212 1.00 0.00 C ATOM 689 CE LYS A 47 8.736 7.793 -2.356 1.00 0.00 C ATOM 690 NZ LYS A 47 9.771 6.865 -2.888 1.00 0.00 N ATOM 0 H LYS A 47 6.755 4.624 1.991 1.00 0.00 H new ATOM 0 HA LYS A 47 4.899 5.892 0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.304 6.550 1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.848 5.587 -0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.711 7.539 -0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.218 8.255 -0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.495 6.041 -2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.705 7.485 -2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.642 8.651 -3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.055 8.175 -1.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.678 7.367 -2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.880 6.059 -2.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.479 6.520 -3.825 1.00 0.00 H new ATOM 704 N LEU A 48 6.396 3.250 -0.947 1.00 0.00 N ATOM 705 CA LEU A 48 6.349 2.279 -2.032 1.00 0.00 C ATOM 706 C LEU A 48 4.942 1.712 -2.180 1.00 0.00 C ATOM 707 O LEU A 48 4.534 1.307 -3.268 1.00 0.00 O ATOM 708 CB LEU A 48 7.348 1.147 -1.767 1.00 0.00 C ATOM 709 CG LEU A 48 7.283 -0.028 -2.746 1.00 0.00 C ATOM 710 CD1 LEU A 48 6.119 -0.946 -2.406 1.00 0.00 C ATOM 711 CD2 LEU A 48 7.170 0.474 -4.178 1.00 0.00 C ATOM 0 H LEU A 48 7.031 3.003 -0.188 1.00 0.00 H new ATOM 0 HA LEU A 48 6.620 2.781 -2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.356 1.562 -1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.182 0.768 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 48 8.206 -0.600 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.090 -1.775 -3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.246 -1.336 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.185 -0.387 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.125 -0.376 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.265 1.072 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.039 1.086 -4.419 1.00 0.00 H new ATOM 723 N ILE A 49 4.210 1.677 -1.070 1.00 0.00 N ATOM 724 CA ILE A 49 2.852 1.147 -1.062 1.00 0.00 C ATOM 725 C ILE A 49 1.823 2.225 -1.388 1.00 0.00 C ATOM 726 O ILE A 49 0.734 1.916 -1.873 1.00 0.00 O ATOM 727 CB ILE A 49 2.508 0.511 0.301 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.490 -0.619 0.618 1.00 0.00 C ATOM 729 CG2 ILE A 49 1.079 -0.016 0.305 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.519 -1.002 2.081 1.00 0.00 C ATOM 0 H ILE A 49 4.536 2.010 -0.163 1.00 0.00 H new ATOM 0 HA ILE A 49 2.812 0.380 -1.836 1.00 0.00 H new ATOM 0 HB ILE A 49 2.592 1.279 1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.226 -1.496 0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.491 -0.317 0.310 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.858 -0.460 1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.388 0.805 0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.967 -0.771 -0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.237 -1.808 2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.813 -0.138 2.677 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.528 -1.336 2.389 1.00 0.00 H new ATOM 742 N TYR A 50 2.153 3.487 -1.118 1.00 0.00 N ATOM 743 CA TYR A 50 1.208 4.565 -1.381 1.00 0.00 C ATOM 744 C TYR A 50 0.935 4.688 -2.879 1.00 0.00 C ATOM 745 O TYR A 50 -0.110 5.196 -3.285 1.00 0.00 O ATOM 746 CB TYR A 50 1.675 5.899 -0.737 1.00 0.00 C ATOM 747 CG TYR A 50 1.859 7.068 -1.692 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.965 7.141 -2.530 1.00 0.00 C ATOM 749 CD2 TYR A 50 0.921 8.093 -1.752 1.00 0.00 C ATOM 750 CE1 TYR A 50 3.133 8.203 -3.400 1.00 0.00 C ATOM 751 CE2 TYR A 50 1.083 9.157 -2.621 1.00 0.00 C ATOM 752 CZ TYR A 50 2.189 9.207 -3.441 1.00 0.00 C ATOM 753 OH TYR A 50 2.352 10.265 -4.306 1.00 0.00 O ATOM 0 H TYR A 50 3.047 3.782 -0.726 1.00 0.00 H new ATOM 0 HA TYR A 50 0.258 4.319 -0.906 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.949 6.187 0.023 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.620 5.721 -0.224 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.706 6.356 -2.502 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.053 8.058 -1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.999 8.246 -4.044 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.346 9.945 -2.657 1.00 0.00 H new ATOM 0 HH TYR A 50 1.598 10.884 -4.211 1.00 0.00 H new ATOM 763 N ASP A 51 1.846 4.172 -3.693 1.00 0.00 N ATOM 764 CA ASP A 51 1.637 4.154 -5.130 1.00 0.00 C ATOM 765 C ASP A 51 0.399 3.321 -5.467 1.00 0.00 C ATOM 766 O ASP A 51 -0.151 3.428 -6.561 1.00 0.00 O ATOM 767 CB ASP A 51 2.865 3.583 -5.841 1.00 0.00 C ATOM 768 CG ASP A 51 2.901 3.941 -7.314 1.00 0.00 C ATOM 769 OD1 ASP A 51 2.516 5.079 -7.658 1.00 0.00 O ATOM 770 OD2 ASP A 51 3.315 3.085 -8.123 1.00 0.00 O ATOM 0 H ASP A 51 2.729 3.764 -3.384 1.00 0.00 H new ATOM 0 HA ASP A 51 1.482 5.177 -5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.768 3.957 -5.357 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.872 2.498 -5.734 1.00 0.00 H new ATOM 775 N PHE A 52 -0.038 2.494 -4.511 1.00 0.00 N ATOM 776 CA PHE A 52 -1.198 1.632 -4.708 1.00 0.00 C ATOM 777 C PHE A 52 -2.500 2.335 -4.316 1.00 0.00 C ATOM 778 O PHE A 52 -3.401 2.481 -5.145 1.00 0.00 O ATOM 779 CB PHE A 52 -1.030 0.340 -3.904 1.00 0.00 C ATOM 780 CG PHE A 52 -2.241 -0.548 -3.941 1.00 0.00 C ATOM 781 CD1 PHE A 52 -3.314 -0.319 -3.095 1.00 0.00 C ATOM 782 CD2 PHE A 52 -2.313 -1.602 -4.838 1.00 0.00 C ATOM 783 CE1 PHE A 52 -4.432 -1.130 -3.135 1.00 0.00 C ATOM 784 CE2 PHE A 52 -3.429 -2.414 -4.885 1.00 0.00 C ATOM 785 CZ PHE A 52 -4.488 -2.181 -4.030 1.00 0.00 C ATOM 0 H PHE A 52 0.398 2.407 -3.593 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.261 1.393 -5.770 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.173 -0.211 -4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.805 0.592 -2.868 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.276 0.503 -2.396 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.487 -1.790 -5.508 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.260 -0.943 -2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.474 -3.231 -5.590 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.359 -2.819 -4.061 1.00 0.00 H new ATOM 795 N ILE A 53 -2.619 2.743 -3.050 1.00 0.00 N ATOM 796 CA ILE A 53 -3.831 3.431 -2.590 1.00 0.00 C ATOM 797 C ILE A 53 -3.957 4.807 -3.243 1.00 0.00 C ATOM 798 O ILE A 53 -5.038 5.395 -3.261 1.00 0.00 O ATOM 799 CB ILE A 53 -3.958 3.531 -1.041 1.00 0.00 C ATOM 800 CG1 ILE A 53 -3.372 2.287 -0.369 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.424 3.695 -0.654 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.439 2.337 1.139 1.00 0.00 C ATOM 0 H ILE A 53 -1.904 2.613 -2.334 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.665 2.806 -2.910 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.396 4.401 -0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.908 1.406 -0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.333 2.172 -0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.508 3.765 0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.821 4.603 -1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.992 2.835 -1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.007 1.426 1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.879 3.200 1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.479 2.422 1.454 1.00 0.00 H new ATOM 814 N GLU A 54 -2.851 5.313 -3.789 1.00 0.00 N ATOM 815 CA GLU A 54 -2.853 6.615 -4.447 1.00 0.00 C ATOM 816 C GLU A 54 -3.341 6.503 -5.889 1.00 0.00 C ATOM 817 O GLU A 54 -3.968 7.424 -6.415 1.00 0.00 O ATOM 818 CB GLU A 54 -1.449 7.224 -4.424 1.00 0.00 C ATOM 819 CG GLU A 54 -1.364 8.580 -5.105 1.00 0.00 C ATOM 820 CD GLU A 54 -0.644 8.517 -6.438 1.00 0.00 C ATOM 821 OE1 GLU A 54 -0.408 7.395 -6.933 1.00 0.00 O ATOM 822 OE2 GLU A 54 -0.314 9.591 -6.986 1.00 0.00 O ATOM 0 H GLU A 54 -1.947 4.841 -3.788 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.537 7.264 -3.900 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.123 7.325 -3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.756 6.538 -4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.370 8.970 -5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.847 9.280 -4.449 1.00 0.00 H new ATOM 829 N ASP A 55 -3.042 5.376 -6.528 1.00 0.00 N ATOM 830 CA ASP A 55 -3.437 5.155 -7.917 1.00 0.00 C ATOM 831 C ASP A 55 -4.825 4.532 -8.006 1.00 0.00 C ATOM 832 O ASP A 55 -5.540 4.723 -8.990 1.00 0.00 O ATOM 833 CB ASP A 55 -2.422 4.252 -8.619 1.00 0.00 C ATOM 834 CG ASP A 55 -1.445 5.034 -9.474 1.00 0.00 C ATOM 835 OD1 ASP A 55 -1.785 6.166 -9.880 1.00 0.00 O ATOM 836 OD2 ASP A 55 -0.340 4.516 -9.738 1.00 0.00 O ATOM 0 H ASP A 55 -2.528 4.602 -6.107 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.464 6.125 -8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.870 3.681 -7.872 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.951 3.532 -9.243 1.00 0.00 H new ATOM 841 N GLN A 56 -5.200 3.781 -6.976 1.00 0.00 N ATOM 842 CA GLN A 56 -6.502 3.123 -6.944 1.00 0.00 C ATOM 843 C GLN A 56 -7.645 4.136 -6.935 1.00 0.00 C ATOM 844 O GLN A 56 -8.803 3.774 -7.143 1.00 0.00 O ATOM 845 CB GLN A 56 -6.604 2.219 -5.714 1.00 0.00 C ATOM 846 CG GLN A 56 -5.845 0.910 -5.855 1.00 0.00 C ATOM 847 CD GLN A 56 -6.447 -0.001 -6.906 1.00 0.00 C ATOM 848 OE1 GLN A 56 -7.652 -0.253 -6.910 1.00 0.00 O ATOM 849 NE2 GLN A 56 -5.607 -0.501 -7.806 1.00 0.00 N ATOM 0 H GLN A 56 -4.622 3.613 -6.153 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.591 2.522 -7.849 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.224 2.757 -4.846 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -7.654 2.001 -5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.808 1.122 -6.114 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.835 0.394 -4.895 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.616 -0.265 -7.765 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.954 -1.121 -8.538 1.00 0.00 H new ATOM 858 N GLY A 57 -7.322 5.405 -6.693 1.00 0.00 N ATOM 859 CA GLY A 57 -8.345 6.431 -6.641 1.00 0.00 C ATOM 860 C GLY A 57 -8.548 6.959 -5.236 1.00 0.00 C ATOM 861 O GLY A 57 -9.050 8.068 -5.045 1.00 0.00 O ATOM 0 H GLY A 57 -6.371 5.738 -6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.068 7.253 -7.301 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.285 6.025 -7.015 1.00 0.00 H new ATOM 865 N GLY A 58 -8.153 6.160 -4.250 1.00 0.00 N ATOM 866 CA GLY A 58 -8.298 6.558 -2.866 1.00 0.00 C ATOM 867 C GLY A 58 -8.674 5.398 -1.971 1.00 0.00 C ATOM 868 O GLY A 58 -9.342 4.464 -2.404 1.00 0.00 O ATOM 0 H GLY A 58 -7.734 5.241 -4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.363 6.995 -2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.060 7.334 -2.791 1.00 0.00 H new ATOM 872 N LEU A 59 -8.226 5.455 -0.727 1.00 0.00 N ATOM 873 CA LEU A 59 -8.496 4.405 0.246 1.00 0.00 C ATOM 874 C LEU A 59 -9.987 4.334 0.569 1.00 0.00 C ATOM 875 O LEU A 59 -10.615 3.288 0.414 1.00 0.00 O ATOM 876 CB LEU A 59 -7.684 4.710 1.499 1.00 0.00 C ATOM 877 CG LEU A 59 -8.215 4.147 2.816 1.00 0.00 C ATOM 878 CD1 LEU A 59 -7.077 3.947 3.804 1.00 0.00 C ATOM 879 CD2 LEU A 59 -9.267 5.082 3.389 1.00 0.00 C ATOM 0 H LEU A 59 -7.667 6.227 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.210 3.435 -0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.673 4.330 1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.606 5.793 1.599 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.675 3.177 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.472 3.545 4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.351 3.249 3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.591 4.903 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.642 4.676 4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.824 6.062 3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.090 5.180 2.682 1.00 0.00 H new ATOM 891 N GLU A 60 -10.560 5.462 0.979 1.00 0.00 N ATOM 892 CA GLU A 60 -11.995 5.527 1.218 1.00 0.00 C ATOM 893 C GLU A 60 -12.705 5.321 -0.108 1.00 0.00 C ATOM 894 O GLU A 60 -13.782 4.726 -0.179 1.00 0.00 O ATOM 895 CB GLU A 60 -12.385 6.874 1.830 1.00 0.00 C ATOM 896 CG GLU A 60 -11.917 8.070 1.019 1.00 0.00 C ATOM 897 CD GLU A 60 -12.911 9.215 1.043 1.00 0.00 C ATOM 898 OE1 GLU A 60 -14.073 8.983 1.440 1.00 0.00 O ATOM 899 OE2 GLU A 60 -12.530 10.342 0.666 1.00 0.00 O ATOM 0 H GLU A 60 -10.058 6.333 1.151 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.287 4.751 1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.469 6.917 1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.968 6.941 2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.960 8.416 1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.749 7.761 -0.013 1.00 0.00 H new ATOM 906 N ALA A 61 -12.041 5.774 -1.162 1.00 0.00 N ATOM 907 CA ALA A 61 -12.505 5.607 -2.518 1.00 0.00 C ATOM 908 C ALA A 61 -12.486 4.127 -2.898 1.00 0.00 C ATOM 909 O ALA A 61 -13.281 3.673 -3.720 1.00 0.00 O ATOM 910 CB ALA A 61 -11.618 6.433 -3.435 1.00 0.00 C ATOM 0 H ALA A 61 -11.154 6.273 -1.091 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.534 5.954 -2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.954 6.319 -4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.676 7.483 -3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.587 6.090 -3.350 1.00 0.00 H new ATOM 916 N VAL A 62 -11.589 3.375 -2.255 1.00 0.00 N ATOM 917 CA VAL A 62 -11.493 1.935 -2.467 1.00 0.00 C ATOM 918 C VAL A 62 -12.636 1.239 -1.739 1.00 0.00 C ATOM 919 O VAL A 62 -13.202 0.263 -2.233 1.00 0.00 O ATOM 920 CB VAL A 62 -10.131 1.378 -1.972 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.136 -0.147 -1.898 1.00 0.00 C ATOM 922 CG2 VAL A 62 -9.003 1.861 -2.871 1.00 0.00 C ATOM 0 H VAL A 62 -10.918 3.745 -1.582 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.563 1.740 -3.537 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.968 1.756 -0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.165 -0.497 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.912 -0.475 -1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.335 -0.559 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.055 1.462 -2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.178 1.517 -3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.967 2.950 -2.857 1.00 0.00 H new ATOM 932 N ARG A 63 -12.977 1.758 -0.563 1.00 0.00 N ATOM 933 CA ARG A 63 -14.074 1.211 0.219 1.00 0.00 C ATOM 934 C ARG A 63 -15.330 1.134 -0.638 1.00 0.00 C ATOM 935 O ARG A 63 -16.131 0.208 -0.511 1.00 0.00 O ATOM 936 CB ARG A 63 -14.336 2.076 1.454 1.00 0.00 C ATOM 937 CG ARG A 63 -13.242 1.984 2.504 1.00 0.00 C ATOM 938 CD ARG A 63 -13.815 2.044 3.911 1.00 0.00 C ATOM 939 NE ARG A 63 -14.414 3.343 4.202 1.00 0.00 N ATOM 940 CZ ARG A 63 -15.319 3.541 5.156 1.00 0.00 C ATOM 941 NH1 ARG A 63 -15.727 2.528 5.908 1.00 0.00 N ATOM 942 NH2 ARG A 63 -15.815 4.755 5.358 1.00 0.00 N ATOM 0 H ARG A 63 -12.508 2.556 -0.134 1.00 0.00 H new ATOM 0 HA ARG A 63 -13.802 0.209 0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.443 3.115 1.143 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -15.284 1.778 1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.689 1.054 2.374 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -12.532 2.799 2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -14.566 1.263 4.030 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.025 1.839 4.633 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.122 4.144 3.642 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.347 1.594 5.755 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -16.421 2.683 6.639 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.502 5.536 4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -16.509 4.907 6.090 1.00 0.00 H new ATOM 956 N GLN A 64 -15.474 2.105 -1.535 1.00 0.00 N ATOM 957 CA GLN A 64 -16.607 2.138 -2.448 1.00 0.00 C ATOM 958 C GLN A 64 -16.550 0.958 -3.415 1.00 0.00 C ATOM 959 O GLN A 64 -17.573 0.527 -3.947 1.00 0.00 O ATOM 960 CB GLN A 64 -16.621 3.454 -3.228 1.00 0.00 C ATOM 961 CG GLN A 64 -16.747 4.682 -2.341 1.00 0.00 C ATOM 962 CD GLN A 64 -16.351 5.961 -3.051 1.00 0.00 C ATOM 963 OE1 GLN A 64 -16.544 6.100 -4.259 1.00 0.00 O ATOM 964 NE2 GLN A 64 -15.795 6.906 -2.301 1.00 0.00 N ATOM 0 H GLN A 64 -14.819 2.879 -1.647 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.523 2.065 -1.862 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.704 3.530 -3.813 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.450 3.439 -3.935 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -17.776 4.769 -1.992 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -16.121 4.553 -1.458 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.654 6.748 -1.303 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.509 7.790 -2.723 1.00 0.00 H new ATOM 973 N GLU A 65 -15.346 0.432 -3.628 1.00 0.00 N ATOM 974 CA GLU A 65 -15.150 -0.704 -4.521 1.00 0.00 C ATOM 975 C GLU A 65 -15.402 -2.018 -3.785 1.00 0.00 C ATOM 976 O GLU A 65 -16.211 -2.838 -4.218 1.00 0.00 O ATOM 977 CB GLU A 65 -13.728 -0.683 -5.094 1.00 0.00 C ATOM 978 CG GLU A 65 -13.335 -1.961 -5.822 1.00 0.00 C ATOM 979 CD GLU A 65 -12.850 -3.042 -4.877 1.00 0.00 C ATOM 980 OE1 GLU A 65 -12.449 -2.705 -3.743 1.00 0.00 O ATOM 981 OE2 GLU A 65 -12.869 -4.227 -5.271 1.00 0.00 O ATOM 0 H GLU A 65 -14.490 0.776 -3.192 1.00 0.00 H new ATOM 0 HA GLU A 65 -15.864 -0.627 -5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.637 0.158 -5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.023 -0.508 -4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -14.191 -2.333 -6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.551 -1.737 -6.545 1.00 0.00 H new ATOM 988 N MET A 66 -14.699 -2.211 -2.673 1.00 0.00 N ATOM 989 CA MET A 66 -14.840 -3.427 -1.880 1.00 0.00 C ATOM 990 C MET A 66 -16.309 -3.730 -1.599 1.00 0.00 C ATOM 991 O MET A 66 -16.701 -4.892 -1.489 1.00 0.00 O ATOM 992 CB MET A 66 -14.074 -3.291 -0.562 1.00 0.00 C ATOM 993 CG MET A 66 -12.628 -2.854 -0.739 1.00 0.00 C ATOM 994 SD MET A 66 -11.633 -3.133 0.738 1.00 0.00 S ATOM 995 CE MET A 66 -11.260 -4.876 0.572 1.00 0.00 C ATOM 0 H MET A 66 -14.026 -1.541 -2.301 1.00 0.00 H new ATOM 0 HA MET A 66 -14.422 -4.255 -2.453 1.00 0.00 H new ATOM 0 HB2 MET A 66 -14.587 -2.570 0.074 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.094 -4.247 -0.040 1.00 0.00 H new ATOM 0 HG2 MET A 66 -12.188 -3.396 -1.576 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.601 -1.795 -0.996 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.648 -5.199 1.414 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.188 -5.447 0.558 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.716 -5.045 -0.357 1.00 0.00 H new ATOM 1181 N LEU A 81 -8.788 -5.597 -6.570 1.00 0.00 N ATOM 1182 CA LEU A 81 -7.587 -4.774 -6.540 1.00 0.00 C ATOM 1183 C LEU A 81 -6.532 -5.391 -5.631 1.00 0.00 C ATOM 1184 O LEU A 81 -5.333 -5.193 -5.827 1.00 0.00 O ATOM 1185 CB LEU A 81 -7.926 -3.358 -6.069 1.00 0.00 C ATOM 1186 CG LEU A 81 -8.172 -3.210 -4.566 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -7.959 -1.767 -4.135 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -9.575 -3.674 -4.206 1.00 0.00 C ATOM 0 HA LEU A 81 -7.183 -4.723 -7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.111 -2.693 -6.354 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.815 -3.019 -6.601 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.457 -3.839 -4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.138 -1.677 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.935 -1.468 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.652 -1.120 -4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.731 -3.561 -3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.307 -3.072 -4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.694 -4.722 -4.482 1.00 0.00 H new ATOM 1200 N VAL A 82 -6.989 -6.148 -4.639 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.087 -6.806 -3.700 1.00 0.00 C ATOM 1202 C VAL A 82 -4.996 -7.574 -4.438 1.00 0.00 C ATOM 1203 O VAL A 82 -3.810 -7.428 -4.140 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.848 -7.775 -2.777 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -5.915 -8.357 -1.727 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -8.029 -7.074 -2.123 1.00 0.00 C ATOM 0 H VAL A 82 -7.979 -6.321 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.631 -6.023 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.233 -8.596 -3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.471 -9.039 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.107 -8.899 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.497 -7.551 -1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.555 -7.775 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.670 -6.232 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.710 -6.712 -2.894 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.403 -8.392 -5.403 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.446 -9.163 -6.173 1.00 0.00 C ATOM 1218 C GLY A 83 -3.399 -8.287 -6.832 1.00 0.00 C ATOM 1219 O GLY A 83 -2.268 -8.719 -7.054 1.00 0.00 O ATOM 0 H GLY A 83 -6.378 -8.534 -5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.954 -9.884 -5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.973 -9.733 -6.938 1.00 0.00 H new ATOM 1223 N ALA A 84 -3.776 -7.051 -7.141 1.00 0.00 N ATOM 1224 CA ALA A 84 -2.861 -6.109 -7.773 1.00 0.00 C ATOM 1225 C ALA A 84 -1.807 -5.626 -6.782 1.00 0.00 C ATOM 1226 O ALA A 84 -0.681 -5.308 -7.162 1.00 0.00 O ATOM 1227 CB ALA A 84 -3.630 -4.929 -8.348 1.00 0.00 C ATOM 0 H ALA A 84 -4.709 -6.679 -6.964 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.351 -6.624 -8.587 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.933 -4.234 -8.817 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.342 -5.286 -9.092 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.167 -4.420 -7.548 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.181 -5.578 -5.507 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.269 -5.137 -4.458 1.00 0.00 C ATOM 1235 C LEU A 85 -0.150 -6.152 -4.251 1.00 0.00 C ATOM 1236 O LEU A 85 1.021 -5.788 -4.155 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.034 -4.920 -3.146 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.175 -4.695 -1.892 1.00 0.00 C ATOM 1239 CD1 LEU A 85 0.095 -3.931 -2.223 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -1.973 -3.956 -0.829 1.00 0.00 C ATOM 0 H LEU A 85 -3.110 -5.839 -5.176 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.823 -4.192 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.691 -4.060 -3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.672 -5.787 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.888 -5.672 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.681 -3.788 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.681 -4.496 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.164 -2.960 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.351 -3.804 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.291 -2.989 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.850 -4.544 -0.558 1.00 0.00 H new ATOM 1252 N MET A 86 -0.517 -7.429 -4.203 1.00 0.00 N ATOM 1253 CA MET A 86 0.462 -8.495 -4.025 1.00 0.00 C ATOM 1254 C MET A 86 1.602 -8.359 -5.031 1.00 0.00 C ATOM 1255 O MET A 86 2.712 -8.835 -4.793 1.00 0.00 O ATOM 1256 CB MET A 86 -0.210 -9.862 -4.177 1.00 0.00 C ATOM 1257 CG MET A 86 -1.263 -10.142 -3.116 1.00 0.00 C ATOM 1258 SD MET A 86 -1.972 -11.793 -3.255 1.00 0.00 S ATOM 1259 CE MET A 86 -3.717 -11.406 -3.354 1.00 0.00 C ATOM 0 H MET A 86 -1.482 -7.750 -4.285 1.00 0.00 H new ATOM 0 HA MET A 86 0.877 -8.412 -3.020 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.673 -9.923 -5.162 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.553 -10.640 -4.135 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.817 -10.025 -2.128 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.059 -9.402 -3.196 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.228 -11.801 -2.476 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.848 -10.325 -3.394 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.139 -11.856 -4.252 1.00 0.00 H new ATOM 1269 N HIS A 87 1.322 -7.696 -6.149 1.00 0.00 N ATOM 1270 CA HIS A 87 2.322 -7.493 -7.189 1.00 0.00 C ATOM 1271 C HIS A 87 3.321 -6.414 -6.788 1.00 0.00 C ATOM 1272 O HIS A 87 4.518 -6.535 -7.049 1.00 0.00 O ATOM 1273 CB HIS A 87 1.644 -7.105 -8.505 1.00 0.00 C ATOM 1274 CG HIS A 87 1.206 -8.280 -9.320 1.00 0.00 C ATOM 1275 ND1 HIS A 87 1.405 -8.368 -10.682 1.00 0.00 N ATOM 1276 CD2 HIS A 87 0.573 -9.421 -8.958 1.00 0.00 C ATOM 1277 CE1 HIS A 87 0.914 -9.512 -11.122 1.00 0.00 C ATOM 1278 NE2 HIS A 87 0.405 -10.169 -10.097 1.00 0.00 N ATOM 0 H HIS A 87 0.410 -7.290 -6.357 1.00 0.00 H new ATOM 0 HA HIS A 87 2.862 -8.430 -7.322 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.777 -6.480 -8.288 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.333 -6.500 -9.095 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.259 -9.692 -7.961 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.927 -9.852 -12.147 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -0.041 -11.085 -10.143 1.00 0.00 H new ATOM 1287 N VAL A 88 2.824 -5.352 -6.160 1.00 0.00 N ATOM 1288 CA VAL A 88 3.682 -4.250 -5.739 1.00 0.00 C ATOM 1289 C VAL A 88 4.705 -4.721 -4.701 1.00 0.00 C ATOM 1290 O VAL A 88 5.793 -4.158 -4.585 1.00 0.00 O ATOM 1291 CB VAL A 88 2.853 -3.051 -5.195 1.00 0.00 C ATOM 1292 CG1 VAL A 88 2.554 -3.176 -3.704 1.00 0.00 C ATOM 1293 CG2 VAL A 88 3.568 -1.742 -5.488 1.00 0.00 C ATOM 0 H VAL A 88 1.837 -5.232 -5.933 1.00 0.00 H new ATOM 0 HA VAL A 88 4.222 -3.902 -6.619 1.00 0.00 H new ATOM 0 HB VAL A 88 1.893 -3.061 -5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.974 -2.314 -3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.984 -4.087 -3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.490 -3.216 -3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.978 -0.911 -5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.546 -1.746 -5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.693 -1.629 -6.565 1.00 0.00 H new ATOM 1303 N MET A 89 4.339 -5.754 -3.948 1.00 0.00 N ATOM 1304 CA MET A 89 5.219 -6.305 -2.925 1.00 0.00 C ATOM 1305 C MET A 89 6.257 -7.230 -3.551 1.00 0.00 C ATOM 1306 O MET A 89 7.406 -7.279 -3.111 1.00 0.00 O ATOM 1307 CB MET A 89 4.405 -7.064 -1.875 1.00 0.00 C ATOM 1308 CG MET A 89 3.136 -6.341 -1.456 1.00 0.00 C ATOM 1309 SD MET A 89 3.427 -4.610 -1.044 1.00 0.00 S ATOM 1310 CE MET A 89 4.202 -4.772 0.563 1.00 0.00 C ATOM 0 H MET A 89 3.438 -6.226 -4.028 1.00 0.00 H new ATOM 0 HA MET A 89 5.738 -5.479 -2.439 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.142 -8.045 -2.270 1.00 0.00 H new ATOM 0 HB3 MET A 89 5.027 -7.231 -0.995 1.00 0.00 H new ATOM 0 HG2 MET A 89 2.405 -6.401 -2.263 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.702 -6.848 -0.594 1.00 0.00 H new ATOM 0 HE1 MET A 89 3.830 -3.991 1.226 1.00 0.00 H new ATOM 0 HE2 MET A 89 3.965 -5.749 0.984 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.282 -4.675 0.457 1.00 0.00 H new ATOM 1320 N GLN A 90 5.847 -7.953 -4.589 1.00 0.00 N ATOM 1321 CA GLN A 90 6.747 -8.859 -5.290 1.00 0.00 C ATOM 1322 C GLN A 90 7.964 -8.102 -5.812 1.00 0.00 C ATOM 1323 O GLN A 90 9.041 -8.675 -5.976 1.00 0.00 O ATOM 1324 CB GLN A 90 6.019 -9.541 -6.449 1.00 0.00 C ATOM 1325 CG GLN A 90 5.151 -10.712 -6.018 1.00 0.00 C ATOM 1326 CD GLN A 90 4.584 -11.481 -7.195 1.00 0.00 C ATOM 1327 OE1 GLN A 90 5.130 -11.444 -8.297 1.00 0.00 O ATOM 1328 NE2 GLN A 90 3.482 -12.186 -6.965 1.00 0.00 N ATOM 0 H GLN A 90 4.898 -7.928 -4.962 1.00 0.00 H new ATOM 0 HA GLN A 90 7.083 -9.622 -4.588 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.396 -8.806 -6.958 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.755 -9.892 -7.173 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.740 -11.387 -5.397 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.332 -10.344 -5.400 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.063 -12.188 -6.035 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.055 -12.725 -7.718 1.00 0.00 H new ATOM 1337 N LYS A 91 7.782 -6.810 -6.067 1.00 0.00 N ATOM 1338 CA LYS A 91 8.863 -5.965 -6.559 1.00 0.00 C ATOM 1339 C LYS A 91 9.940 -5.794 -5.494 1.00 0.00 C ATOM 1340 O LYS A 91 11.128 -5.978 -5.762 1.00 0.00 O ATOM 1341 CB LYS A 91 8.315 -4.597 -6.973 1.00 0.00 C ATOM 1342 CG LYS A 91 8.766 -4.154 -8.355 1.00 0.00 C ATOM 1343 CD LYS A 91 8.270 -5.104 -9.433 1.00 0.00 C ATOM 1344 CE LYS A 91 7.933 -4.362 -10.716 1.00 0.00 C ATOM 1345 NZ LYS A 91 8.025 -5.246 -11.910 1.00 0.00 N ATOM 0 H LYS A 91 6.894 -6.325 -5.940 1.00 0.00 H new ATOM 0 HA LYS A 91 9.309 -6.449 -7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.226 -4.629 -6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.629 -3.853 -6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.395 -3.149 -8.555 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.854 -4.104 -8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.032 -5.856 -9.636 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.387 -5.634 -9.075 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.925 -3.953 -10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.612 -3.518 -10.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.788 -4.702 -12.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.993 -5.617 -11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.359 -6.038 -11.808 1.00 0.00 H new ATOM 1359 N ARG A 92 9.516 -5.444 -4.285 1.00 0.00 N ATOM 1360 CA ARG A 92 10.440 -5.252 -3.174 1.00 0.00 C ATOM 1361 C ARG A 92 10.800 -6.587 -2.527 1.00 0.00 C ATOM 1362 O ARG A 92 11.848 -6.717 -1.893 1.00 0.00 O ATOM 1363 CB ARG A 92 9.827 -4.316 -2.130 1.00 0.00 C ATOM 1364 CG ARG A 92 9.661 -2.886 -2.617 1.00 0.00 C ATOM 1365 CD ARG A 92 10.966 -2.112 -2.526 1.00 0.00 C ATOM 1366 NE ARG A 92 11.212 -1.310 -3.721 1.00 0.00 N ATOM 1367 CZ ARG A 92 12.044 -0.275 -3.754 1.00 0.00 C ATOM 1368 NH1 ARG A 92 12.707 0.082 -2.662 1.00 0.00 N ATOM 1369 NH2 ARG A 92 12.215 0.405 -4.880 1.00 0.00 N ATOM 0 H ARG A 92 8.536 -5.287 -4.049 1.00 0.00 H new ATOM 0 HA ARG A 92 11.352 -4.802 -3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.853 -4.705 -1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 92 10.456 -4.317 -1.240 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.310 -2.890 -3.649 1.00 0.00 H new ATOM 0 HG3 ARG A 92 8.897 -2.384 -2.023 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.941 -1.461 -1.652 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.791 -2.809 -2.381 1.00 0.00 H new ATOM 0 HE ARG A 92 10.718 -1.558 -4.578 1.00 0.00 H new ATOM 0 HH11 ARG A 92 12.579 -0.439 -1.794 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.345 0.877 -2.690 1.00 0.00 H new ATOM 0 HH21 ARG A 92 11.707 0.133 -5.722 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.854 1.200 -4.904 1.00 0.00 H new ATOM 1383 N SER A 93 9.928 -7.578 -2.694 1.00 0.00 N ATOM 1384 CA SER A 93 10.155 -8.904 -2.127 1.00 0.00 C ATOM 1385 C SER A 93 11.567 -9.396 -2.432 1.00 0.00 C ATOM 1386 O SER A 93 12.185 -10.084 -1.620 1.00 0.00 O ATOM 1387 CB SER A 93 9.128 -9.898 -2.672 1.00 0.00 C ATOM 1388 OG SER A 93 9.161 -11.116 -1.948 1.00 0.00 O ATOM 0 H SER A 93 9.057 -7.488 -3.218 1.00 0.00 H new ATOM 0 HA SER A 93 10.042 -8.831 -1.045 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.130 -9.463 -2.613 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.329 -10.092 -3.726 1.00 0.00 H new ATOM 0 HG SER A 93 8.494 -11.733 -2.315 1.00 0.00 H new