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= -0.0625 K(o=-0.063,f=-0.81) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 21 ASN : amide:sc= -0.495 K(o=-0.49,f=-2.1!) USER MOD Single : A 28 SER OG : rot 65:sc= 0.8 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0505 USER MOD Single : A 39 GLN : amide:sc= -0.51 K(o=-0.51,f=-7!) USER MOD Single : A 41 THR OG1 : rot -75:sc= 0.485 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.741 USER MOD Single : A 46 SER OG : rot -81:sc= 0.234 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= -0.22 K(o=-0.22,f=-1.2) USER MOD Single : A 64 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.0051) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 155:sc= -0.862 (180deg=-1.88!) USER MOD Single : A 87 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.025) USER MOD Single : A 89 MET CE :methyl 179:sc= -0.109 (180deg=-0.116) USER MOD Single : A 90 GLN : amide:sc= -0.235 K(o=-0.24,f=-2.1!) USER MOD Single : A 91 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0189) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N VAL A 9 -5.882 13.686 0.025 1.00 0.00 N ATOM 127 CA VAL A 9 -5.323 12.382 0.354 1.00 0.00 C ATOM 128 C VAL A 9 -5.172 12.222 1.862 1.00 0.00 C ATOM 129 O VAL A 9 -4.980 13.199 2.587 1.00 0.00 O ATOM 130 CB VAL A 9 -3.948 12.177 -0.319 1.00 0.00 C ATOM 131 CG1 VAL A 9 -3.017 13.329 0.024 1.00 0.00 C ATOM 132 CG2 VAL A 9 -3.330 10.845 0.089 1.00 0.00 C ATOM 0 HA VAL A 9 -6.016 11.629 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.096 12.158 -1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.051 13.172 -0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.450 14.265 -0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.881 13.377 1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.363 10.728 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.195 10.823 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.989 10.031 -0.211 1.00 0.00 H new ATOM 142 N GLY A 10 -5.263 10.984 2.325 1.00 0.00 N ATOM 143 CA GLY A 10 -5.127 10.704 3.737 1.00 0.00 C ATOM 144 C GLY A 10 -3.686 10.442 4.130 1.00 0.00 C ATOM 145 O GLY A 10 -3.246 10.838 5.209 1.00 0.00 O ATOM 0 H GLY A 10 -5.430 10.164 1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.512 11.546 4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.736 9.837 3.995 1.00 0.00 H new ATOM 149 N TRP A 11 -2.945 9.783 3.241 1.00 0.00 N ATOM 150 CA TRP A 11 -1.544 9.480 3.487 1.00 0.00 C ATOM 151 C TRP A 11 -0.679 10.719 3.263 1.00 0.00 C ATOM 152 O TRP A 11 -1.024 11.605 2.481 1.00 0.00 O ATOM 153 CB TRP A 11 -1.077 8.313 2.591 1.00 0.00 C ATOM 154 CG TRP A 11 0.411 8.258 2.371 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.329 7.581 3.121 1.00 0.00 C ATOM 156 CD2 TRP A 11 1.150 8.941 1.352 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.592 7.789 2.621 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.509 8.619 1.535 1.00 0.00 C ATOM 159 CE3 TRP A 11 0.795 9.785 0.296 1.00 0.00 C ATOM 160 CZ2 TRP A 11 3.510 9.114 0.703 1.00 0.00 C ATOM 161 CZ3 TRP A 11 1.791 10.276 -0.529 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.134 9.937 -0.322 1.00 0.00 C ATOM 0 H TRP A 11 -3.296 9.450 2.343 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.434 9.174 4.527 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.401 7.374 3.039 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.573 8.392 1.624 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.097 6.971 3.981 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.452 7.390 2.998 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.238 10.049 0.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.547 8.857 0.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.529 10.932 -1.346 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.888 10.334 -0.986 1.00 0.00 H new ATOM 173 N ASP A 12 0.454 10.750 3.948 1.00 0.00 N ATOM 174 CA ASP A 12 1.402 11.848 3.823 1.00 0.00 C ATOM 175 C ASP A 12 2.821 11.309 3.655 1.00 0.00 C ATOM 176 O ASP A 12 3.177 10.286 4.239 1.00 0.00 O ATOM 177 CB ASP A 12 1.329 12.759 5.050 1.00 0.00 C ATOM 178 CG ASP A 12 1.210 14.224 4.676 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.758 14.512 3.547 1.00 0.00 O ATOM 180 OD2 ASP A 12 1.567 15.080 5.510 1.00 0.00 O ATOM 0 H ASP A 12 0.741 10.021 4.601 1.00 0.00 H new ATOM 0 HA ASP A 12 1.140 12.429 2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.474 12.472 5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.220 12.614 5.660 1.00 0.00 H new ATOM 185 N PRO A 13 3.657 11.994 2.855 1.00 0.00 N ATOM 186 CA PRO A 13 5.040 11.568 2.603 1.00 0.00 C ATOM 187 C PRO A 13 5.862 11.435 3.883 1.00 0.00 C ATOM 188 O PRO A 13 6.934 10.830 3.878 1.00 0.00 O ATOM 189 CB PRO A 13 5.609 12.688 1.727 1.00 0.00 C ATOM 190 CG PRO A 13 4.420 13.328 1.101 1.00 0.00 C ATOM 191 CD PRO A 13 3.314 13.220 2.113 1.00 0.00 C ATOM 0 HA PRO A 13 5.073 10.581 2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.176 13.405 2.321 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.288 12.292 0.972 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.622 14.370 0.853 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.150 12.826 0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.280 14.091 2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.337 13.142 1.636 1.00 0.00 H new ATOM 199 N GLN A 14 5.365 12.011 4.972 1.00 0.00 N ATOM 200 CA GLN A 14 6.072 11.967 6.247 1.00 0.00 C ATOM 201 C GLN A 14 5.271 11.207 7.300 1.00 0.00 C ATOM 202 O GLN A 14 5.783 10.290 7.941 1.00 0.00 O ATOM 203 CB GLN A 14 6.362 13.386 6.738 1.00 0.00 C ATOM 204 CG GLN A 14 7.017 14.269 5.690 1.00 0.00 C ATOM 205 CD GLN A 14 8.068 15.189 6.277 1.00 0.00 C ATOM 206 OE1 GLN A 14 8.038 15.506 7.466 1.00 0.00 O ATOM 207 NE2 GLN A 14 9.006 15.622 5.444 1.00 0.00 N ATOM 0 H GLN A 14 4.477 12.513 4.998 1.00 0.00 H new ATOM 0 HA GLN A 14 7.013 11.439 6.090 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.429 13.848 7.059 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.009 13.334 7.613 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.475 13.641 4.926 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.252 14.867 5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.992 15.334 4.466 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.741 16.243 5.782 1.00 0.00 H new ATOM 216 N ASN A 15 4.013 11.601 7.480 1.00 0.00 N ATOM 217 CA ASN A 15 3.142 10.964 8.464 1.00 0.00 C ATOM 218 C ASN A 15 3.207 9.443 8.357 1.00 0.00 C ATOM 219 O ASN A 15 3.334 8.745 9.363 1.00 0.00 O ATOM 220 CB ASN A 15 1.700 11.436 8.276 1.00 0.00 C ATOM 221 CG ASN A 15 1.356 12.616 9.163 1.00 0.00 C ATOM 222 OD1 ASN A 15 1.291 12.491 10.385 1.00 0.00 O ATOM 223 ND2 ASN A 15 1.135 13.772 8.549 1.00 0.00 N ATOM 0 H ASN A 15 3.574 12.359 6.957 1.00 0.00 H new ATOM 0 HA ASN A 15 3.490 11.252 9.456 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.544 11.712 7.233 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.020 10.612 8.493 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.901 14.602 9.094 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.200 13.830 7.533 1.00 0.00 H new ATOM 230 N GLY A 16 3.118 8.935 7.132 1.00 0.00 N ATOM 231 CA GLY A 16 3.166 7.501 6.920 1.00 0.00 C ATOM 232 C GLY A 16 1.797 6.855 7.008 1.00 0.00 C ATOM 233 O GLY A 16 0.777 7.528 6.867 1.00 0.00 O ATOM 0 H GLY A 16 3.014 9.491 6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.599 7.296 5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.826 7.049 7.661 1.00 0.00 H new ATOM 237 N PHE A 17 1.775 5.548 7.242 1.00 0.00 N ATOM 238 CA PHE A 17 0.521 4.813 7.346 1.00 0.00 C ATOM 239 C PHE A 17 -0.171 5.100 8.673 1.00 0.00 C ATOM 240 O PHE A 17 0.477 5.439 9.663 1.00 0.00 O ATOM 241 CB PHE A 17 0.773 3.309 7.211 1.00 0.00 C ATOM 242 CG PHE A 17 0.586 2.788 5.815 1.00 0.00 C ATOM 243 CD1 PHE A 17 -0.669 2.772 5.230 1.00 0.00 C ATOM 244 CD2 PHE A 17 1.665 2.307 5.091 1.00 0.00 C ATOM 245 CE1 PHE A 17 -0.845 2.291 3.947 1.00 0.00 C ATOM 246 CE2 PHE A 17 1.496 1.823 3.808 1.00 0.00 C ATOM 247 CZ PHE A 17 0.238 1.812 3.237 1.00 0.00 C ATOM 0 H PHE A 17 2.611 4.976 7.363 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.129 5.143 6.536 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.789 3.089 7.538 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.100 2.775 7.882 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.520 3.140 5.783 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.650 2.310 5.535 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.828 2.290 3.500 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.346 1.454 3.253 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.102 1.429 2.236 1.00 0.00 H new ATOM 257 N ASP A 18 -1.491 4.955 8.688 1.00 0.00 N ATOM 258 CA ASP A 18 -2.273 5.185 9.896 1.00 0.00 C ATOM 259 C ASP A 18 -2.762 3.863 10.480 1.00 0.00 C ATOM 260 O ASP A 18 -3.931 3.726 10.839 1.00 0.00 O ATOM 261 CB ASP A 18 -3.465 6.095 9.592 1.00 0.00 C ATOM 262 CG ASP A 18 -3.560 7.266 10.550 1.00 0.00 C ATOM 263 OD1 ASP A 18 -2.506 7.712 11.049 1.00 0.00 O ATOM 264 OD2 ASP A 18 -4.690 7.737 10.801 1.00 0.00 O ATOM 0 H ASP A 18 -2.042 4.679 7.876 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.632 5.674 10.630 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.381 6.470 8.572 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.385 5.513 9.643 1.00 0.00 H new ATOM 269 N VAL A 19 -1.858 2.891 10.562 1.00 0.00 N ATOM 270 CA VAL A 19 -2.197 1.576 11.090 1.00 0.00 C ATOM 271 C VAL A 19 -2.869 1.684 12.456 1.00 0.00 C ATOM 272 O VAL A 19 -3.621 0.797 12.860 1.00 0.00 O ATOM 273 CB VAL A 19 -0.951 0.677 11.206 1.00 0.00 C ATOM 274 CG1 VAL A 19 0.002 1.209 12.266 1.00 0.00 C ATOM 275 CG2 VAL A 19 -1.353 -0.758 11.509 1.00 0.00 C ATOM 0 H VAL A 19 -0.886 2.990 10.269 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.894 1.124 10.385 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.430 0.689 10.249 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.874 0.559 12.330 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.320 2.216 11.997 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.504 1.234 13.231 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.459 -1.377 11.587 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.901 -0.791 12.451 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.987 -1.135 10.707 1.00 0.00 H new ATOM 285 N ASN A 20 -2.597 2.777 13.161 1.00 0.00 N ATOM 286 CA ASN A 20 -3.182 3.003 14.478 1.00 0.00 C ATOM 287 C ASN A 20 -4.703 2.919 14.410 1.00 0.00 C ATOM 288 O ASN A 20 -5.340 2.292 15.257 1.00 0.00 O ATOM 289 CB ASN A 20 -2.761 4.371 15.020 1.00 0.00 C ATOM 290 CG ASN A 20 -1.269 4.458 15.272 1.00 0.00 C ATOM 291 OD1 ASN A 20 -0.673 3.558 15.865 1.00 0.00 O ATOM 292 ND2 ASN A 20 -0.656 5.549 14.825 1.00 0.00 N ATOM 0 H ASN A 20 -1.975 3.520 12.843 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.817 2.227 15.151 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.053 5.145 14.311 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.296 4.571 15.948 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.347 5.665 14.968 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.189 6.270 14.339 1.00 0.00 H new ATOM 299 N ASN A 21 -5.277 3.552 13.393 1.00 0.00 N ATOM 300 CA ASN A 21 -6.722 3.543 13.201 1.00 0.00 C ATOM 301 C ASN A 21 -7.068 3.245 11.746 1.00 0.00 C ATOM 302 O ASN A 21 -7.882 3.937 11.135 1.00 0.00 O ATOM 303 CB ASN A 21 -7.323 4.887 13.615 1.00 0.00 C ATOM 304 CG ASN A 21 -6.693 6.054 12.882 1.00 0.00 C ATOM 305 OD1 ASN A 21 -5.473 6.216 12.880 1.00 0.00 O ATOM 306 ND2 ASN A 21 -7.526 6.875 12.252 1.00 0.00 N ATOM 0 H ASN A 21 -4.762 4.079 12.688 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.145 2.758 13.829 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.396 4.877 13.422 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.194 5.024 14.689 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.161 7.678 11.740 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.531 6.702 12.280 1.00 0.00 H new ATOM 313 N LEU A 22 -6.432 2.216 11.196 1.00 0.00 N ATOM 314 CA LEU A 22 -6.660 1.824 9.814 1.00 0.00 C ATOM 315 C LEU A 22 -8.115 1.420 9.593 1.00 0.00 C ATOM 316 O LEU A 22 -8.665 0.605 10.334 1.00 0.00 O ATOM 317 CB LEU A 22 -5.732 0.667 9.446 1.00 0.00 C ATOM 318 CG LEU A 22 -4.869 0.898 8.205 1.00 0.00 C ATOM 319 CD1 LEU A 22 -3.719 -0.097 8.160 1.00 0.00 C ATOM 320 CD2 LEU A 22 -5.713 0.799 6.945 1.00 0.00 C ATOM 0 H LEU A 22 -5.752 1.638 11.690 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.445 2.679 9.173 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.076 0.464 10.293 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.336 -0.227 9.289 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.449 1.902 8.259 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.116 0.083 7.270 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.099 0.023 9.048 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.117 -1.111 8.130 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.083 0.966 6.071 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.162 -0.192 6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.500 1.552 6.974 1.00 0.00 H new ATOM 332 N ASP A 23 -8.733 1.999 8.567 1.00 0.00 N ATOM 333 CA ASP A 23 -10.126 1.706 8.246 1.00 0.00 C ATOM 334 C ASP A 23 -10.357 0.202 8.113 1.00 0.00 C ATOM 335 O ASP A 23 -9.494 -0.526 7.625 1.00 0.00 O ATOM 336 CB ASP A 23 -10.524 2.410 6.946 1.00 0.00 C ATOM 337 CG ASP A 23 -11.983 2.822 6.933 1.00 0.00 C ATOM 338 OD1 ASP A 23 -12.327 3.809 7.616 1.00 0.00 O ATOM 339 OD2 ASP A 23 -12.780 2.159 6.237 1.00 0.00 O ATOM 0 H ASP A 23 -8.290 2.674 7.944 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.746 2.076 9.063 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.899 3.292 6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.329 1.747 6.103 1.00 0.00 H new ATOM 344 N PRO A 24 -11.536 -0.281 8.543 1.00 0.00 N ATOM 345 CA PRO A 24 -11.881 -1.705 8.464 1.00 0.00 C ATOM 346 C PRO A 24 -11.727 -2.256 7.049 1.00 0.00 C ATOM 347 O PRO A 24 -11.020 -3.238 6.829 1.00 0.00 O ATOM 348 CB PRO A 24 -13.350 -1.744 8.895 1.00 0.00 C ATOM 349 CG PRO A 24 -13.538 -0.520 9.720 1.00 0.00 C ATOM 350 CD PRO A 24 -12.623 0.519 9.135 1.00 0.00 C ATOM 0 HA PRO A 24 -11.227 -2.318 9.085 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.015 -1.745 8.032 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.570 -2.645 9.468 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.575 -0.186 9.692 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.293 -0.712 10.765 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.131 1.125 8.385 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.250 1.202 9.898 1.00 0.00 H new ATOM 358 N ASP A 25 -12.393 -1.613 6.096 1.00 0.00 N ATOM 359 CA ASP A 25 -12.327 -2.036 4.702 1.00 0.00 C ATOM 360 C ASP A 25 -10.883 -2.080 4.214 1.00 0.00 C ATOM 361 O ASP A 25 -10.484 -3.004 3.505 1.00 0.00 O ATOM 362 CB ASP A 25 -13.145 -1.089 3.821 1.00 0.00 C ATOM 363 CG ASP A 25 -14.517 -1.644 3.494 1.00 0.00 C ATOM 364 OD1 ASP A 25 -15.379 -1.667 4.398 1.00 0.00 O ATOM 365 OD2 ASP A 25 -14.730 -2.057 2.335 1.00 0.00 O ATOM 0 H ASP A 25 -12.984 -0.798 6.263 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.746 -3.040 4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.255 -0.130 4.328 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.603 -0.899 2.895 1.00 0.00 H new ATOM 370 N LEU A 26 -10.102 -1.076 4.603 1.00 0.00 N ATOM 371 CA LEU A 26 -8.700 -1.003 4.208 1.00 0.00 C ATOM 372 C LEU A 26 -7.870 -2.038 4.958 1.00 0.00 C ATOM 373 O LEU A 26 -7.007 -2.697 4.376 1.00 0.00 O ATOM 374 CB LEU A 26 -8.147 0.400 4.467 1.00 0.00 C ATOM 375 CG LEU A 26 -6.986 0.816 3.563 1.00 0.00 C ATOM 376 CD1 LEU A 26 -5.923 -0.272 3.524 1.00 0.00 C ATOM 377 CD2 LEU A 26 -7.486 1.122 2.160 1.00 0.00 C ATOM 0 H LEU A 26 -10.416 -0.303 5.190 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.637 -1.218 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.956 1.120 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.818 0.458 5.505 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.538 1.721 3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.105 0.042 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.543 -0.445 4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.359 -1.193 3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.646 1.416 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.960 0.234 1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.211 1.935 2.201 1.00 0.00 H new ATOM 389 N ARG A 27 -8.136 -2.180 6.253 1.00 0.00 N ATOM 390 CA ARG A 27 -7.416 -3.143 7.078 1.00 0.00 C ATOM 391 C ARG A 27 -7.513 -4.543 6.481 1.00 0.00 C ATOM 392 O ARG A 27 -6.652 -5.390 6.716 1.00 0.00 O ATOM 393 CB ARG A 27 -7.967 -3.144 8.502 1.00 0.00 C ATOM 394 CG ARG A 27 -6.925 -2.794 9.550 1.00 0.00 C ATOM 395 CD ARG A 27 -6.893 -3.816 10.674 1.00 0.00 C ATOM 396 NE ARG A 27 -5.678 -3.707 11.479 1.00 0.00 N ATOM 397 CZ ARG A 27 -5.259 -4.655 12.312 1.00 0.00 C ATOM 398 NH1 ARG A 27 -5.956 -5.774 12.451 1.00 0.00 N ATOM 399 NH2 ARG A 27 -4.144 -4.483 13.008 1.00 0.00 N ATOM 0 H ARG A 27 -8.844 -1.641 6.753 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.367 -2.848 7.106 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.790 -2.432 8.566 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.379 -4.128 8.724 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.942 -2.737 9.082 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.139 -1.808 9.961 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.765 -3.679 11.313 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.961 -4.819 10.254 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.121 -2.857 11.397 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.815 -5.909 11.918 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.633 -6.500 13.090 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.606 -3.622 12.905 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.824 -5.211 13.647 1.00 0.00 H new ATOM 413 N SER A 28 -8.578 -4.785 5.723 1.00 0.00 N ATOM 414 CA SER A 28 -8.781 -6.076 5.080 1.00 0.00 C ATOM 415 C SER A 28 -8.068 -6.117 3.736 1.00 0.00 C ATOM 416 O SER A 28 -7.664 -7.181 3.265 1.00 0.00 O ATOM 417 CB SER A 28 -10.276 -6.346 4.886 1.00 0.00 C ATOM 418 OG SER A 28 -11.034 -5.809 5.955 1.00 0.00 O ATOM 0 H SER A 28 -9.314 -4.103 5.540 1.00 0.00 H new ATOM 0 HA SER A 28 -8.364 -6.850 5.724 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.609 -5.909 3.945 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.449 -7.420 4.817 1.00 0.00 H new ATOM 0 HG SER A 28 -10.956 -4.832 5.953 1.00 0.00 H new ATOM 424 N LEU A 29 -7.915 -4.948 3.126 1.00 0.00 N ATOM 425 CA LEU A 29 -7.241 -4.836 1.841 1.00 0.00 C ATOM 426 C LEU A 29 -5.766 -5.211 1.966 1.00 0.00 C ATOM 427 O LEU A 29 -5.125 -5.581 0.982 1.00 0.00 O ATOM 428 CB LEU A 29 -7.382 -3.410 1.297 1.00 0.00 C ATOM 429 CG LEU A 29 -6.966 -3.219 -0.165 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.439 -4.384 -1.022 1.00 0.00 C ATOM 431 CD2 LEU A 29 -7.514 -1.906 -0.704 1.00 0.00 C ATOM 0 H LEU A 29 -8.250 -4.062 3.503 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.710 -5.530 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.421 -3.100 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.784 -2.742 1.917 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.877 -3.187 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.131 -4.224 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.000 -5.310 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.526 -4.453 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.210 -1.784 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.602 -1.913 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.123 -1.078 -0.112 1.00 0.00 H new ATOM 443 N PHE A 30 -5.236 -5.127 3.185 1.00 0.00 N ATOM 444 CA PHE A 30 -3.842 -5.466 3.439 1.00 0.00 C ATOM 445 C PHE A 30 -3.697 -6.939 3.804 1.00 0.00 C ATOM 446 O PHE A 30 -3.001 -7.694 3.126 1.00 0.00 O ATOM 447 CB PHE A 30 -3.283 -4.597 4.566 1.00 0.00 C ATOM 448 CG PHE A 30 -2.918 -3.209 4.129 1.00 0.00 C ATOM 449 CD1 PHE A 30 -2.160 -3.006 2.988 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.333 -2.107 4.859 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.822 -1.730 2.582 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.999 -0.829 4.459 1.00 0.00 C ATOM 453 CZ PHE A 30 -2.242 -0.640 3.319 1.00 0.00 C ATOM 0 H PHE A 30 -5.753 -4.827 4.011 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.277 -5.278 2.526 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.021 -4.535 5.366 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.400 -5.081 4.984 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.829 -3.855 2.409 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.925 -2.250 5.751 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.231 -1.585 1.690 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.329 0.022 5.036 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.979 0.359 3.004 1.00 0.00 H new ATOM 463 N SER A 31 -4.364 -7.343 4.883 1.00 0.00 N ATOM 464 CA SER A 31 -4.314 -8.726 5.343 1.00 0.00 C ATOM 465 C SER A 31 -4.571 -9.696 4.194 1.00 0.00 C ATOM 466 O SER A 31 -4.010 -10.792 4.156 1.00 0.00 O ATOM 467 CB SER A 31 -5.345 -8.951 6.451 1.00 0.00 C ATOM 468 OG SER A 31 -4.932 -9.980 7.333 1.00 0.00 O ATOM 0 H SER A 31 -4.946 -6.730 5.455 1.00 0.00 H new ATOM 0 HA SER A 31 -3.315 -8.915 5.736 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.490 -8.026 7.009 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.307 -9.211 6.009 1.00 0.00 H new ATOM 0 HG SER A 31 -5.608 -10.102 8.032 1.00 0.00 H new ATOM 474 N ARG A 32 -5.419 -9.285 3.258 1.00 0.00 N ATOM 475 CA ARG A 32 -5.750 -10.116 2.109 1.00 0.00 C ATOM 476 C ARG A 32 -4.586 -10.179 1.126 1.00 0.00 C ATOM 477 O ARG A 32 -4.327 -11.219 0.522 1.00 0.00 O ATOM 478 CB ARG A 32 -6.995 -9.574 1.403 1.00 0.00 C ATOM 479 CG ARG A 32 -8.299 -9.987 2.065 1.00 0.00 C ATOM 480 CD ARG A 32 -9.381 -10.268 1.034 1.00 0.00 C ATOM 481 NE ARG A 32 -10.292 -11.322 1.468 1.00 0.00 N ATOM 482 CZ ARG A 32 -11.432 -11.612 0.849 1.00 0.00 C ATOM 483 NH1 ARG A 32 -11.796 -10.927 -0.227 1.00 0.00 N ATOM 484 NH2 ARG A 32 -12.207 -12.585 1.304 1.00 0.00 N ATOM 0 H ARG A 32 -5.890 -8.380 3.273 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.952 -11.124 2.471 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.941 -8.486 1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.996 -9.921 0.370 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.134 -10.876 2.673 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.633 -9.198 2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.947 -9.356 0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.917 -10.556 0.091 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.040 -11.867 2.293 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.201 -10.177 -0.580 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.671 -11.150 -0.702 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.929 -13.114 2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.081 -12.806 0.827 1.00 0.00 H new ATOM 498 N ALA A 33 -3.890 -9.057 0.968 1.00 0.00 N ATOM 499 CA ALA A 33 -2.758 -8.985 0.053 1.00 0.00 C ATOM 500 C ALA A 33 -1.519 -9.641 0.655 1.00 0.00 C ATOM 501 O ALA A 33 -0.618 -10.066 -0.068 1.00 0.00 O ATOM 502 CB ALA A 33 -2.468 -7.538 -0.318 1.00 0.00 C ATOM 0 H ALA A 33 -4.090 -8.187 1.461 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.021 -9.533 -0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.620 -7.501 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.343 -7.104 -0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.233 -6.972 0.583 1.00 0.00 H new ATOM 508 N GLY A 34 -1.482 -9.727 1.981 1.00 0.00 N ATOM 509 CA GLY A 34 -0.348 -10.338 2.651 1.00 0.00 C ATOM 510 C GLY A 34 0.652 -9.315 3.153 1.00 0.00 C ATOM 511 O GLY A 34 1.856 -9.459 2.942 1.00 0.00 O ATOM 0 H GLY A 34 -2.215 -9.385 2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.705 -10.934 3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.151 -11.021 1.964 1.00 0.00 H new ATOM 515 N ILE A 35 0.152 -8.281 3.822 1.00 0.00 N ATOM 516 CA ILE A 35 1.011 -7.232 4.360 1.00 0.00 C ATOM 517 C ILE A 35 0.815 -7.086 5.865 1.00 0.00 C ATOM 518 O ILE A 35 -0.306 -7.175 6.367 1.00 0.00 O ATOM 519 CB ILE A 35 0.740 -5.877 3.677 1.00 0.00 C ATOM 520 CG1 ILE A 35 0.946 -5.998 2.165 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.645 -4.799 4.255 1.00 0.00 C ATOM 522 CD1 ILE A 35 0.859 -4.678 1.431 1.00 0.00 C ATOM 0 H ILE A 35 -0.843 -8.147 4.004 1.00 0.00 H new ATOM 0 HA ILE A 35 2.041 -7.527 4.158 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.295 -5.592 3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.922 -6.445 1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.198 -6.679 1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.440 -3.849 3.761 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.457 -4.700 5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.687 -5.074 4.094 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.015 -4.843 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.125 -4.238 1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.625 -4.000 1.809 1.00 0.00 H new ATOM 534 N SER A 36 1.912 -6.865 6.581 1.00 0.00 N ATOM 535 CA SER A 36 1.862 -6.712 8.030 1.00 0.00 C ATOM 536 C SER A 36 2.139 -5.270 8.440 1.00 0.00 C ATOM 537 O SER A 36 2.298 -4.392 7.593 1.00 0.00 O ATOM 538 CB SER A 36 2.874 -7.646 8.697 1.00 0.00 C ATOM 539 OG SER A 36 2.495 -7.941 10.029 1.00 0.00 O ATOM 0 H SER A 36 2.847 -6.788 6.181 1.00 0.00 H new ATOM 0 HA SER A 36 0.858 -6.976 8.361 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.952 -8.570 8.125 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.861 -7.182 8.691 1.00 0.00 H new ATOM 0 HG SER A 36 3.157 -8.541 10.432 1.00 0.00 H new ATOM 545 N GLU A 37 2.196 -5.034 9.747 1.00 0.00 N ATOM 546 CA GLU A 37 2.453 -3.699 10.273 1.00 0.00 C ATOM 547 C GLU A 37 3.860 -3.233 9.916 1.00 0.00 C ATOM 548 O GLU A 37 4.085 -2.051 9.651 1.00 0.00 O ATOM 549 CB GLU A 37 2.268 -3.683 11.791 1.00 0.00 C ATOM 550 CG GLU A 37 1.044 -2.906 12.249 1.00 0.00 C ATOM 551 CD GLU A 37 0.442 -3.463 13.524 1.00 0.00 C ATOM 552 OE1 GLU A 37 0.911 -4.524 13.987 1.00 0.00 O ATOM 553 OE2 GLU A 37 -0.497 -2.838 14.060 1.00 0.00 O ATOM 0 H GLU A 37 2.068 -5.751 10.461 1.00 0.00 H new ATOM 0 HA GLU A 37 1.738 -3.013 9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.191 -4.709 12.150 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.156 -3.250 12.252 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.319 -1.863 12.407 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.292 -2.922 11.460 1.00 0.00 H new ATOM 560 N ALA A 38 4.804 -4.169 9.910 1.00 0.00 N ATOM 561 CA ALA A 38 6.193 -3.855 9.590 1.00 0.00 C ATOM 562 C ALA A 38 6.294 -3.023 8.316 1.00 0.00 C ATOM 563 O ALA A 38 6.963 -1.990 8.288 1.00 0.00 O ATOM 564 CB ALA A 38 7.005 -5.134 9.450 1.00 0.00 C ATOM 0 H ALA A 38 4.633 -5.152 10.123 1.00 0.00 H new ATOM 0 HA ALA A 38 6.600 -3.264 10.410 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.039 -4.884 9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.973 -5.690 10.387 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.586 -5.746 8.651 1.00 0.00 H new ATOM 570 N GLN A 39 5.630 -3.483 7.260 1.00 0.00 N ATOM 571 CA GLN A 39 5.649 -2.784 5.981 1.00 0.00 C ATOM 572 C GLN A 39 4.863 -1.480 6.055 1.00 0.00 C ATOM 573 O GLN A 39 5.208 -0.498 5.398 1.00 0.00 O ATOM 574 CB GLN A 39 5.074 -3.679 4.881 1.00 0.00 C ATOM 575 CG GLN A 39 5.785 -5.017 4.752 1.00 0.00 C ATOM 576 CD GLN A 39 4.845 -6.195 4.915 1.00 0.00 C ATOM 577 OE1 GLN A 39 4.381 -6.485 6.017 1.00 0.00 O ATOM 578 NE2 GLN A 39 4.560 -6.880 3.814 1.00 0.00 N ATOM 0 H GLN A 39 5.072 -4.337 7.265 1.00 0.00 H new ATOM 0 HA GLN A 39 6.686 -2.545 5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.018 -3.856 5.083 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.132 -3.153 3.928 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.268 -5.075 3.777 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.573 -5.079 5.502 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.968 -6.603 2.921 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.933 -7.683 3.861 1.00 0.00 H new ATOM 587 N LEU A 40 3.804 -1.473 6.860 1.00 0.00 N ATOM 588 CA LEU A 40 2.971 -0.287 7.015 1.00 0.00 C ATOM 589 C LEU A 40 3.704 0.796 7.803 1.00 0.00 C ATOM 590 O LEU A 40 3.665 1.972 7.444 1.00 0.00 O ATOM 591 CB LEU A 40 1.661 -0.644 7.721 1.00 0.00 C ATOM 592 CG LEU A 40 0.794 -1.676 6.995 1.00 0.00 C ATOM 593 CD1 LEU A 40 -0.397 -2.067 7.855 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.331 -1.133 5.651 1.00 0.00 C ATOM 0 H LEU A 40 3.504 -2.275 7.414 1.00 0.00 H new ATOM 0 HA LEU A 40 2.748 0.099 6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.894 -1.023 8.716 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.078 0.267 7.855 1.00 0.00 H new ATOM 0 HG LEU A 40 1.395 -2.567 6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.003 -2.801 7.325 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.044 -2.497 8.792 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.999 -1.183 8.066 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.284 -1.880 5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.254 -0.227 5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.199 -0.903 5.033 1.00 0.00 H new ATOM 606 N THR A 41 4.368 0.392 8.880 1.00 0.00 N ATOM 607 CA THR A 41 5.106 1.329 9.718 1.00 0.00 C ATOM 608 C THR A 41 6.354 1.833 9.001 1.00 0.00 C ATOM 609 O THR A 41 6.780 2.971 9.199 1.00 0.00 O ATOM 610 CB THR A 41 5.497 0.667 11.040 1.00 0.00 C ATOM 611 OG1 THR A 41 6.284 -0.488 10.807 1.00 0.00 O ATOM 612 CG2 THR A 41 4.308 0.254 11.878 1.00 0.00 C ATOM 0 H THR A 41 4.410 -0.578 9.193 1.00 0.00 H new ATOM 0 HA THR A 41 4.457 2.180 9.924 1.00 0.00 H new ATOM 0 HB THR A 41 6.059 1.424 11.588 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.710 -1.217 10.492 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.657 -0.209 12.801 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.708 1.132 12.116 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.701 -0.460 11.321 1.00 0.00 H new ATOM 620 N ASP A 42 6.937 0.978 8.166 1.00 0.00 N ATOM 621 CA ASP A 42 8.138 1.337 7.421 1.00 0.00 C ATOM 622 C ASP A 42 7.845 2.448 6.420 1.00 0.00 C ATOM 623 O ASP A 42 7.165 2.230 5.418 1.00 0.00 O ATOM 624 CB ASP A 42 8.697 0.114 6.692 1.00 0.00 C ATOM 625 CG ASP A 42 9.680 -0.667 7.542 1.00 0.00 C ATOM 626 OD1 ASP A 42 10.759 -0.122 7.855 1.00 0.00 O ATOM 627 OD2 ASP A 42 9.371 -1.826 7.895 1.00 0.00 O ATOM 0 H ASP A 42 6.597 0.033 7.989 1.00 0.00 H new ATOM 0 HA ASP A 42 8.881 1.699 8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.874 -0.539 6.400 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.190 0.435 5.774 1.00 0.00 H new ATOM 632 N ALA A 43 8.365 3.640 6.696 1.00 0.00 N ATOM 633 CA ALA A 43 8.163 4.782 5.816 1.00 0.00 C ATOM 634 C ALA A 43 8.694 4.492 4.415 1.00 0.00 C ATOM 635 O ALA A 43 8.165 4.997 3.424 1.00 0.00 O ATOM 636 CB ALA A 43 8.834 6.019 6.392 1.00 0.00 C ATOM 0 H ALA A 43 8.929 3.838 7.522 1.00 0.00 H new ATOM 0 HA ALA A 43 7.092 4.968 5.741 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.674 6.864 5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.406 6.243 7.369 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.903 5.837 6.498 1.00 0.00 H new ATOM 642 N GLU A 44 9.738 3.674 4.342 1.00 0.00 N ATOM 643 CA GLU A 44 10.338 3.312 3.063 1.00 0.00 C ATOM 644 C GLU A 44 9.371 2.480 2.227 1.00 0.00 C ATOM 645 O GLU A 44 9.319 2.612 1.004 1.00 0.00 O ATOM 646 CB GLU A 44 11.636 2.534 3.287 1.00 0.00 C ATOM 647 CG GLU A 44 12.680 3.308 4.075 1.00 0.00 C ATOM 648 CD GLU A 44 14.087 3.085 3.556 1.00 0.00 C ATOM 649 OE1 GLU A 44 14.230 2.692 2.379 1.00 0.00 O ATOM 650 OE2 GLU A 44 15.046 3.305 4.326 1.00 0.00 O ATOM 0 H GLU A 44 10.187 3.249 5.153 1.00 0.00 H new ATOM 0 HA GLU A 44 10.563 4.231 2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.408 1.607 3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.055 2.256 2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.446 4.372 4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.632 3.012 5.123 1.00 0.00 H new ATOM 657 N THR A 45 8.603 1.626 2.895 1.00 0.00 N ATOM 658 CA THR A 45 7.628 0.779 2.218 1.00 0.00 C ATOM 659 C THR A 45 6.316 1.526 2.012 1.00 0.00 C ATOM 660 O THR A 45 5.584 1.265 1.056 1.00 0.00 O ATOM 661 CB THR A 45 7.381 -0.497 3.024 1.00 0.00 C ATOM 662 OG1 THR A 45 8.459 -0.746 3.911 1.00 0.00 O ATOM 663 CG2 THR A 45 7.202 -1.728 2.162 1.00 0.00 C ATOM 0 H THR A 45 8.637 1.502 3.907 1.00 0.00 H new ATOM 0 HA THR A 45 8.031 0.509 1.242 1.00 0.00 H new ATOM 0 HB THR A 45 6.453 -0.318 3.568 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.282 -1.565 4.419 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.031 -2.596 2.799 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.347 -1.588 1.501 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.100 -1.888 1.565 1.00 0.00 H new ATOM 671 N SER A 46 6.022 2.459 2.914 1.00 0.00 N ATOM 672 CA SER A 46 4.801 3.251 2.822 1.00 0.00 C ATOM 673 C SER A 46 4.660 3.862 1.433 1.00 0.00 C ATOM 674 O SER A 46 3.675 3.624 0.735 1.00 0.00 O ATOM 675 CB SER A 46 4.799 4.353 3.882 1.00 0.00 C ATOM 676 OG SER A 46 5.420 5.530 3.394 1.00 0.00 O ATOM 0 H SER A 46 6.612 2.684 3.715 1.00 0.00 H new ATOM 0 HA SER A 46 3.952 2.590 2.999 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.774 4.575 4.179 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.321 4.005 4.774 1.00 0.00 H new ATOM 0 HG SER A 46 6.393 5.443 3.471 1.00 0.00 H new ATOM 682 N LYS A 47 5.661 4.640 1.031 1.00 0.00 N ATOM 683 CA LYS A 47 5.661 5.262 -0.287 1.00 0.00 C ATOM 684 C LYS A 47 5.620 4.194 -1.373 1.00 0.00 C ATOM 685 O LYS A 47 5.094 4.417 -2.463 1.00 0.00 O ATOM 686 CB LYS A 47 6.900 6.142 -0.462 1.00 0.00 C ATOM 687 CG LYS A 47 6.607 7.630 -0.368 1.00 0.00 C ATOM 688 CD LYS A 47 7.662 8.452 -1.091 1.00 0.00 C ATOM 689 CE LYS A 47 7.241 8.768 -2.517 1.00 0.00 C ATOM 690 NZ LYS A 47 7.776 10.079 -2.977 1.00 0.00 N ATOM 0 H LYS A 47 6.481 4.854 1.599 1.00 0.00 H new ATOM 0 HA LYS A 47 4.773 5.888 -0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.635 5.876 0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.352 5.930 -1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.626 7.837 -0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.566 7.929 0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.837 9.381 -0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.606 7.907 -1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.592 7.979 -3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.153 8.778 -2.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.466 10.257 -3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.421 10.835 -2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.815 10.062 -2.941 1.00 0.00 H new ATOM 704 N LEU A 48 6.171 3.027 -1.059 1.00 0.00 N ATOM 705 CA LEU A 48 6.180 1.907 -1.992 1.00 0.00 C ATOM 706 C LEU A 48 4.789 1.292 -2.093 1.00 0.00 C ATOM 707 O LEU A 48 4.375 0.829 -3.156 1.00 0.00 O ATOM 708 CB LEU A 48 7.187 0.850 -1.534 1.00 0.00 C ATOM 709 CG LEU A 48 7.262 -0.402 -2.409 1.00 0.00 C ATOM 710 CD1 LEU A 48 6.092 -1.327 -2.117 1.00 0.00 C ATOM 711 CD2 LEU A 48 7.295 -0.025 -3.882 1.00 0.00 C ATOM 0 H LEU A 48 6.618 2.832 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 48 6.474 2.274 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.176 1.306 -1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.935 0.548 -0.517 1.00 0.00 H new ATOM 0 HG LEU A 48 8.185 -0.932 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.162 -2.213 -2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.117 -1.626 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.157 -0.807 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.348 -0.929 -4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.391 0.529 -4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.169 0.596 -4.079 1.00 0.00 H new ATOM 723 N ILE A 49 4.074 1.298 -0.973 1.00 0.00 N ATOM 724 CA ILE A 49 2.724 0.759 -0.916 1.00 0.00 C ATOM 725 C ILE A 49 1.694 1.818 -1.281 1.00 0.00 C ATOM 726 O ILE A 49 0.566 1.493 -1.651 1.00 0.00 O ATOM 727 CB ILE A 49 2.402 0.204 0.486 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.421 -0.866 0.879 1.00 0.00 C ATOM 729 CG2 ILE A 49 0.990 -0.363 0.528 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.576 -1.036 2.373 1.00 0.00 C ATOM 0 H ILE A 49 4.412 1.674 -0.087 1.00 0.00 H new ATOM 0 HA ILE A 49 2.675 -0.054 -1.641 1.00 0.00 H new ATOM 0 HB ILE A 49 2.462 1.022 1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.121 -1.819 0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.389 -0.609 0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.783 -0.749 1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.275 0.424 0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.900 -1.170 -0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.315 -1.811 2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.906 -0.095 2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.619 -1.324 2.808 1.00 0.00 H new ATOM 742 N TYR A 50 2.075 3.089 -1.171 1.00 0.00 N ATOM 743 CA TYR A 50 1.150 4.167 -1.479 1.00 0.00 C ATOM 744 C TYR A 50 0.815 4.180 -2.969 1.00 0.00 C ATOM 745 O TYR A 50 -0.242 4.667 -3.370 1.00 0.00 O ATOM 746 CB TYR A 50 1.689 5.531 -0.965 1.00 0.00 C ATOM 747 CG TYR A 50 1.827 6.625 -2.010 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.771 6.529 -3.025 1.00 0.00 C ATOM 749 CD2 TYR A 50 1.010 7.751 -1.979 1.00 0.00 C ATOM 750 CE1 TYR A 50 2.899 7.521 -3.978 1.00 0.00 C ATOM 751 CE2 TYR A 50 1.133 8.747 -2.929 1.00 0.00 C ATOM 752 CZ TYR A 50 2.077 8.628 -3.926 1.00 0.00 C ATOM 753 OH TYR A 50 2.203 9.618 -4.873 1.00 0.00 O ATOM 0 H TYR A 50 3.004 3.390 -0.875 1.00 0.00 H new ATOM 0 HA TYR A 50 0.214 3.990 -0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.026 5.889 -0.178 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.665 5.366 -0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.416 5.664 -3.070 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.268 7.848 -1.200 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.639 7.430 -4.760 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.492 9.615 -2.890 1.00 0.00 H new ATOM 0 HH TYR A 50 1.550 10.326 -4.695 1.00 0.00 H new ATOM 763 N ASP A 51 1.691 3.603 -3.780 1.00 0.00 N ATOM 764 CA ASP A 51 1.424 3.484 -5.203 1.00 0.00 C ATOM 765 C ASP A 51 0.160 2.654 -5.429 1.00 0.00 C ATOM 766 O ASP A 51 -0.445 2.708 -6.499 1.00 0.00 O ATOM 767 CB ASP A 51 2.612 2.839 -5.921 1.00 0.00 C ATOM 768 CG ASP A 51 2.606 3.118 -7.411 1.00 0.00 C ATOM 769 OD1 ASP A 51 1.795 2.495 -8.129 1.00 0.00 O ATOM 770 OD2 ASP A 51 3.413 3.959 -7.861 1.00 0.00 O ATOM 0 H ASP A 51 2.584 3.214 -3.479 1.00 0.00 H new ATOM 0 HA ASP A 51 1.273 4.482 -5.613 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.541 3.211 -5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.592 1.762 -5.755 1.00 0.00 H new ATOM 775 N PHE A 52 -0.244 1.901 -4.400 1.00 0.00 N ATOM 776 CA PHE A 52 -1.425 1.055 -4.486 1.00 0.00 C ATOM 777 C PHE A 52 -2.690 1.814 -4.083 1.00 0.00 C ATOM 778 O PHE A 52 -3.643 1.891 -4.860 1.00 0.00 O ATOM 779 CB PHE A 52 -1.248 -0.185 -3.607 1.00 0.00 C ATOM 780 CG PHE A 52 -2.472 -1.053 -3.558 1.00 0.00 C ATOM 781 CD1 PHE A 52 -2.850 -1.794 -4.666 1.00 0.00 C ATOM 782 CD2 PHE A 52 -3.252 -1.117 -2.416 1.00 0.00 C ATOM 783 CE1 PHE A 52 -3.978 -2.590 -4.634 1.00 0.00 C ATOM 784 CE2 PHE A 52 -4.383 -1.912 -2.377 1.00 0.00 C ATOM 785 CZ PHE A 52 -4.746 -2.649 -3.489 1.00 0.00 C ATOM 0 H PHE A 52 0.234 1.865 -3.500 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.541 0.745 -5.525 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.409 -0.771 -3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.991 0.128 -2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.255 -1.749 -5.566 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.974 -0.540 -1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.259 -3.165 -5.504 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.982 -1.957 -1.479 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.629 -3.270 -3.462 1.00 0.00 H new ATOM 795 N ILE A 53 -2.713 2.360 -2.865 1.00 0.00 N ATOM 796 CA ILE A 53 -3.880 3.118 -2.405 1.00 0.00 C ATOM 797 C ILE A 53 -3.994 4.446 -3.155 1.00 0.00 C ATOM 798 O ILE A 53 -5.064 5.049 -3.202 1.00 0.00 O ATOM 799 CB ILE A 53 -3.925 3.337 -0.863 1.00 0.00 C ATOM 800 CG1 ILE A 53 -3.225 2.190 -0.128 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.373 3.448 -0.406 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.261 2.331 1.377 1.00 0.00 C ATOM 0 H ILE A 53 -1.952 2.294 -2.189 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.748 2.502 -2.637 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.398 4.261 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.695 1.248 -0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.187 2.138 -0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.403 3.601 0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.849 4.292 -0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.905 2.531 -0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.747 1.485 1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.765 3.257 1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.297 2.353 1.716 1.00 0.00 H new ATOM 814 N GLU A 54 -2.892 4.881 -3.766 1.00 0.00 N ATOM 815 CA GLU A 54 -2.888 6.119 -4.540 1.00 0.00 C ATOM 816 C GLU A 54 -3.383 5.877 -5.964 1.00 0.00 C ATOM 817 O GLU A 54 -4.046 6.730 -6.555 1.00 0.00 O ATOM 818 CB GLU A 54 -1.482 6.722 -4.578 1.00 0.00 C ATOM 819 CG GLU A 54 -1.451 8.158 -5.077 1.00 0.00 C ATOM 820 CD GLU A 54 -1.275 8.248 -6.581 1.00 0.00 C ATOM 821 OE1 GLU A 54 -0.879 7.235 -7.194 1.00 0.00 O ATOM 822 OE2 GLU A 54 -1.533 9.333 -7.144 1.00 0.00 O ATOM 0 H GLU A 54 -1.995 4.396 -3.739 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.565 6.820 -4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.052 6.684 -3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.850 6.109 -5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.377 8.658 -4.792 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.637 8.692 -4.587 1.00 0.00 H new ATOM 829 N ASP A 55 -3.036 4.717 -6.518 1.00 0.00 N ATOM 830 CA ASP A 55 -3.412 4.376 -7.886 1.00 0.00 C ATOM 831 C ASP A 55 -4.847 3.858 -7.963 1.00 0.00 C ATOM 832 O ASP A 55 -5.587 4.197 -8.887 1.00 0.00 O ATOM 833 CB ASP A 55 -2.451 3.326 -8.448 1.00 0.00 C ATOM 834 CG ASP A 55 -2.838 2.876 -9.844 1.00 0.00 C ATOM 835 OD1 ASP A 55 -3.057 3.750 -10.709 1.00 0.00 O ATOM 836 OD2 ASP A 55 -2.922 1.652 -10.072 1.00 0.00 O ATOM 0 H ASP A 55 -2.494 3.998 -6.039 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.350 5.286 -8.483 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.441 3.736 -8.468 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.432 2.462 -7.783 1.00 0.00 H new ATOM 841 N GLN A 56 -5.231 3.028 -7.000 1.00 0.00 N ATOM 842 CA GLN A 56 -6.573 2.456 -6.978 1.00 0.00 C ATOM 843 C GLN A 56 -7.639 3.547 -7.012 1.00 0.00 C ATOM 844 O GLN A 56 -8.787 3.294 -7.376 1.00 0.00 O ATOM 845 CB GLN A 56 -6.760 1.586 -5.733 1.00 0.00 C ATOM 846 CG GLN A 56 -6.071 0.234 -5.824 1.00 0.00 C ATOM 847 CD GLN A 56 -6.710 -0.681 -6.850 1.00 0.00 C ATOM 848 OE1 GLN A 56 -7.926 -0.663 -7.041 1.00 0.00 O ATOM 849 NE2 GLN A 56 -5.893 -1.490 -7.512 1.00 0.00 N ATOM 0 H GLN A 56 -4.634 2.736 -6.226 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.687 1.838 -7.869 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.376 2.122 -4.865 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -7.826 1.430 -5.566 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.022 0.382 -6.079 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.097 -0.249 -4.847 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.891 -1.471 -7.321 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.267 -2.131 -8.212 1.00 0.00 H new ATOM 858 N GLY A 57 -7.255 4.762 -6.632 1.00 0.00 N ATOM 859 CA GLY A 57 -8.195 5.866 -6.621 1.00 0.00 C ATOM 860 C GLY A 57 -8.309 6.504 -5.253 1.00 0.00 C ATOM 861 O GLY A 57 -8.603 7.693 -5.134 1.00 0.00 O ATOM 0 H GLY A 57 -6.310 5.001 -6.332 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.880 6.617 -7.345 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.175 5.510 -6.937 1.00 0.00 H new ATOM 865 N GLY A 58 -8.069 5.708 -4.216 1.00 0.00 N ATOM 866 CA GLY A 58 -8.144 6.214 -2.860 1.00 0.00 C ATOM 867 C GLY A 58 -8.485 5.133 -1.857 1.00 0.00 C ATOM 868 O GLY A 58 -9.183 4.176 -2.177 1.00 0.00 O ATOM 0 H GLY A 58 -7.824 4.721 -4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.190 6.667 -2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.896 7.002 -2.810 1.00 0.00 H new ATOM 872 N LEU A 59 -7.984 5.290 -0.641 1.00 0.00 N ATOM 873 CA LEU A 59 -8.220 4.324 0.425 1.00 0.00 C ATOM 874 C LEU A 59 -9.713 4.180 0.712 1.00 0.00 C ATOM 875 O LEU A 59 -10.269 3.084 0.627 1.00 0.00 O ATOM 876 CB LEU A 59 -7.482 4.816 1.667 1.00 0.00 C ATOM 877 CG LEU A 59 -8.044 4.379 3.021 1.00 0.00 C ATOM 878 CD1 LEU A 59 -6.928 4.261 4.048 1.00 0.00 C ATOM 879 CD2 LEU A 59 -9.101 5.368 3.484 1.00 0.00 C ATOM 0 H LEU A 59 -7.406 6.084 -0.365 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.854 3.342 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.448 4.479 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.464 5.906 1.642 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.507 3.398 2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.346 3.949 5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.201 3.522 3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.437 5.227 4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.498 5.052 4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.655 6.358 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.909 5.405 2.754 1.00 0.00 H new ATOM 891 N GLU A 60 -10.364 5.300 1.007 1.00 0.00 N ATOM 892 CA GLU A 60 -11.802 5.304 1.225 1.00 0.00 C ATOM 893 C GLU A 60 -12.491 5.155 -0.117 1.00 0.00 C ATOM 894 O GLU A 60 -13.527 4.502 -0.243 1.00 0.00 O ATOM 895 CB GLU A 60 -12.244 6.597 1.913 1.00 0.00 C ATOM 896 CG GLU A 60 -12.152 7.824 1.021 1.00 0.00 C ATOM 897 CD GLU A 60 -12.205 9.121 1.805 1.00 0.00 C ATOM 898 OE1 GLU A 60 -11.380 9.291 2.728 1.00 0.00 O ATOM 899 OE2 GLU A 60 -13.073 9.965 1.500 1.00 0.00 O ATOM 0 H GLU A 60 -9.919 6.213 1.100 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.075 4.475 1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.273 6.483 2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.629 6.756 2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.223 7.786 0.452 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.969 7.806 0.300 1.00 0.00 H new ATOM 906 N ALA A 61 -11.856 5.733 -1.128 1.00 0.00 N ATOM 907 CA ALA A 61 -12.316 5.633 -2.495 1.00 0.00 C ATOM 908 C ALA A 61 -12.382 4.167 -2.919 1.00 0.00 C ATOM 909 O ALA A 61 -13.189 3.787 -3.767 1.00 0.00 O ATOM 910 CB ALA A 61 -11.377 6.430 -3.386 1.00 0.00 C ATOM 0 H ALA A 61 -11.005 6.285 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.321 6.045 -2.587 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.713 6.363 -4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.376 7.474 -3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.368 6.026 -3.305 1.00 0.00 H new ATOM 916 N VAL A 62 -11.549 3.339 -2.282 1.00 0.00 N ATOM 917 CA VAL A 62 -11.542 1.902 -2.530 1.00 0.00 C ATOM 918 C VAL A 62 -12.694 1.250 -1.770 1.00 0.00 C ATOM 919 O VAL A 62 -13.358 0.347 -2.279 1.00 0.00 O ATOM 920 CB VAL A 62 -10.190 1.262 -2.104 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.278 -0.260 -2.017 1.00 0.00 C ATOM 922 CG2 VAL A 62 -9.086 1.670 -3.067 1.00 0.00 C ATOM 0 H VAL A 62 -10.868 3.646 -1.587 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.667 1.735 -3.600 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.954 1.634 -1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.311 -0.664 -1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -11.032 -0.539 -1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.553 -0.665 -2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.146 1.215 -2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.338 1.333 -4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.982 2.755 -3.063 1.00 0.00 H new ATOM 932 N ARG A 63 -12.930 1.729 -0.553 1.00 0.00 N ATOM 933 CA ARG A 63 -14.019 1.221 0.267 1.00 0.00 C ATOM 934 C ARG A 63 -15.330 1.289 -0.503 1.00 0.00 C ATOM 935 O ARG A 63 -16.216 0.453 -0.321 1.00 0.00 O ATOM 936 CB ARG A 63 -14.128 2.030 1.561 1.00 0.00 C ATOM 937 CG ARG A 63 -15.237 1.554 2.484 1.00 0.00 C ATOM 938 CD ARG A 63 -15.060 2.098 3.894 1.00 0.00 C ATOM 939 NE ARG A 63 -16.237 1.862 4.725 1.00 0.00 N ATOM 940 CZ ARG A 63 -17.383 2.519 4.580 1.00 0.00 C ATOM 941 NH1 ARG A 63 -17.506 3.446 3.640 1.00 0.00 N ATOM 942 NH2 ARG A 63 -18.409 2.250 5.377 1.00 0.00 N ATOM 0 H ARG A 63 -12.381 2.468 -0.115 1.00 0.00 H new ATOM 0 HA ARG A 63 -13.812 0.181 0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.178 1.980 2.092 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -14.299 3.077 1.312 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -16.202 1.871 2.089 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -15.246 0.464 2.512 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -14.191 1.630 4.356 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -14.859 3.168 3.847 1.00 0.00 H new ATOM 0 HE ARG A 63 -16.176 1.154 5.457 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -16.720 3.657 3.025 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -18.387 3.948 3.531 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -18.319 1.538 6.102 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -19.288 2.755 5.265 1.00 0.00 H new ATOM 956 N GLN A 64 -15.439 2.285 -1.377 1.00 0.00 N ATOM 957 CA GLN A 64 -16.631 2.455 -2.199 1.00 0.00 C ATOM 958 C GLN A 64 -16.632 1.456 -3.351 1.00 0.00 C ATOM 959 O GLN A 64 -17.688 1.033 -3.820 1.00 0.00 O ATOM 960 CB GLN A 64 -16.701 3.882 -2.744 1.00 0.00 C ATOM 961 CG GLN A 64 -17.679 4.773 -1.995 1.00 0.00 C ATOM 962 CD GLN A 64 -17.127 5.259 -0.669 1.00 0.00 C ATOM 963 OE1 GLN A 64 -17.731 5.049 0.382 1.00 0.00 O ATOM 964 NE2 GLN A 64 -15.971 5.911 -0.714 1.00 0.00 N ATOM 0 H GLN A 64 -14.715 2.987 -1.534 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.507 2.272 -1.577 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.708 4.328 -2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -16.987 3.847 -3.795 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -17.931 5.632 -2.616 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -18.604 4.224 -1.820 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.505 6.062 -1.609 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.549 6.261 0.146 1.00 0.00 H new ATOM 973 N GLU A 65 -15.436 1.082 -3.798 1.00 0.00 N ATOM 974 CA GLU A 65 -15.290 0.127 -4.890 1.00 0.00 C ATOM 975 C GLU A 65 -15.368 -1.305 -4.370 1.00 0.00 C ATOM 976 O GLU A 65 -16.067 -2.146 -4.937 1.00 0.00 O ATOM 977 CB GLU A 65 -13.960 0.350 -5.614 1.00 0.00 C ATOM 978 CG GLU A 65 -13.637 -0.721 -6.646 1.00 0.00 C ATOM 979 CD GLU A 65 -12.778 -0.197 -7.780 1.00 0.00 C ATOM 980 OE1 GLU A 65 -13.096 0.887 -8.313 1.00 0.00 O ATOM 981 OE2 GLU A 65 -11.786 -0.869 -8.133 1.00 0.00 O ATOM 0 H GLU A 65 -14.554 1.427 -3.420 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.108 0.284 -5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.984 1.322 -6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.157 0.386 -4.877 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.122 -1.548 -6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -14.566 -1.120 -7.053 1.00 0.00 H new ATOM 988 N MET A 66 -14.650 -1.574 -3.284 1.00 0.00 N ATOM 989 CA MET A 66 -14.640 -2.903 -2.683 1.00 0.00 C ATOM 990 C MET A 66 -16.062 -3.407 -2.462 1.00 0.00 C ATOM 991 O MET A 66 -16.340 -4.596 -2.610 1.00 0.00 O ATOM 992 CB MET A 66 -13.882 -2.876 -1.353 1.00 0.00 C ATOM 993 CG MET A 66 -12.654 -3.772 -1.336 1.00 0.00 C ATOM 994 SD MET A 66 -12.962 -5.354 -0.527 1.00 0.00 S ATOM 995 CE MET A 66 -11.361 -5.676 0.208 1.00 0.00 C ATOM 0 H MET A 66 -14.068 -0.889 -2.802 1.00 0.00 H new ATOM 0 HA MET A 66 -14.134 -3.584 -3.368 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.577 -1.852 -1.138 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.556 -3.182 -0.553 1.00 0.00 H new ATOM 0 HG2 MET A 66 -12.324 -3.950 -2.360 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.841 -3.258 -0.824 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.391 -6.624 0.746 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.605 -5.727 -0.575 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.111 -4.873 0.902 1.00 0.00 H new ATOM 1181 N LEU A 81 -8.747 -6.218 -6.759 1.00 0.00 N ATOM 1182 CA LEU A 81 -7.864 -5.088 -6.495 1.00 0.00 C ATOM 1183 C LEU A 81 -6.777 -5.476 -5.498 1.00 0.00 C ATOM 1184 O LEU A 81 -5.683 -4.913 -5.506 1.00 0.00 O ATOM 1185 CB LEU A 81 -8.666 -3.895 -5.971 1.00 0.00 C ATOM 1186 CG LEU A 81 -9.068 -3.972 -4.496 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -9.568 -2.621 -4.010 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -10.129 -5.041 -4.288 1.00 0.00 C ATOM 0 HA LEU A 81 -7.385 -4.801 -7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.079 -2.989 -6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.570 -3.794 -6.572 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.188 -4.243 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.850 -2.694 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.778 -1.878 -4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.435 -2.321 -4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.403 -5.082 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.010 -4.800 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.736 -6.009 -4.598 1.00 0.00 H new ATOM 1200 N VAL A 82 -7.087 -6.448 -4.645 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.133 -6.926 -3.653 1.00 0.00 C ATOM 1202 C VAL A 82 -4.919 -7.549 -4.331 1.00 0.00 C ATOM 1203 O VAL A 82 -3.780 -7.320 -3.923 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.770 -7.961 -2.710 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -5.781 -8.384 -1.634 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -8.040 -7.405 -2.085 1.00 0.00 C ATOM 0 H VAL A 82 -7.991 -6.919 -4.622 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.821 -6.063 -3.065 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.035 -8.842 -3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.250 -9.116 -0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.902 -8.827 -2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.482 -7.512 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.476 -8.152 -1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.802 -6.507 -1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.754 -7.157 -2.871 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.169 -8.331 -5.377 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.086 -8.961 -6.107 1.00 0.00 C ATOM 1218 C GLY A 83 -3.073 -7.951 -6.604 1.00 0.00 C ATOM 1219 O GLY A 83 -1.866 -8.189 -6.541 1.00 0.00 O ATOM 0 H GLY A 83 -6.103 -8.539 -5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.589 -9.686 -5.463 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.493 -9.513 -6.954 1.00 0.00 H new ATOM 1223 N ALA A 84 -3.563 -6.815 -7.091 1.00 0.00 N ATOM 1224 CA ALA A 84 -2.691 -5.757 -7.583 1.00 0.00 C ATOM 1225 C ALA A 84 -1.693 -5.341 -6.510 1.00 0.00 C ATOM 1226 O ALA A 84 -0.529 -5.067 -6.802 1.00 0.00 O ATOM 1227 CB ALA A 84 -3.512 -4.562 -8.040 1.00 0.00 C ATOM 0 H ALA A 84 -4.559 -6.605 -7.155 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.134 -6.141 -8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.845 -3.781 -8.405 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.185 -4.868 -8.841 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.095 -4.180 -7.202 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.157 -5.302 -5.264 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.302 -4.935 -4.141 1.00 0.00 C ATOM 1235 C LEU A 85 -0.235 -6.001 -3.915 1.00 0.00 C ATOM 1236 O LEU A 85 0.914 -5.687 -3.606 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.144 -4.747 -2.873 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.357 -4.715 -1.559 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -0.129 -3.829 -1.688 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -2.243 -4.235 -0.419 1.00 0.00 C ATOM 0 H LEU A 85 -3.120 -5.520 -5.007 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.806 -3.993 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.704 -3.816 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.874 -5.554 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.024 -5.729 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.415 -3.821 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.518 -4.216 -2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.437 -2.814 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.668 -4.218 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.606 -3.231 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.091 -4.911 -0.307 1.00 0.00 H new ATOM 1252 N MET A 86 -0.623 -7.262 -4.081 1.00 0.00 N ATOM 1253 CA MET A 86 0.297 -8.377 -3.898 1.00 0.00 C ATOM 1254 C MET A 86 1.507 -8.242 -4.817 1.00 0.00 C ATOM 1255 O MET A 86 2.637 -8.522 -4.418 1.00 0.00 O ATOM 1256 CB MET A 86 -0.416 -9.703 -4.171 1.00 0.00 C ATOM 1257 CG MET A 86 -1.644 -9.921 -3.301 1.00 0.00 C ATOM 1258 SD MET A 86 -2.316 -11.587 -3.454 1.00 0.00 S ATOM 1259 CE MET A 86 -4.062 -11.273 -3.208 1.00 0.00 C ATOM 0 H MET A 86 -1.570 -7.536 -4.342 1.00 0.00 H new ATOM 0 HA MET A 86 0.644 -8.362 -2.865 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.712 -9.738 -5.219 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.284 -10.523 -4.010 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.385 -9.732 -2.259 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.412 -9.197 -3.575 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.644 -12.058 -3.691 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.283 -11.261 -2.141 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.323 -10.308 -3.643 1.00 0.00 H new ATOM 1269 N HIS A 87 1.261 -7.813 -6.050 1.00 0.00 N ATOM 1270 CA HIS A 87 2.329 -7.644 -7.028 1.00 0.00 C ATOM 1271 C HIS A 87 3.245 -6.487 -6.642 1.00 0.00 C ATOM 1272 O HIS A 87 4.458 -6.549 -6.847 1.00 0.00 O ATOM 1273 CB HIS A 87 1.741 -7.399 -8.419 1.00 0.00 C ATOM 1274 CG HIS A 87 1.004 -8.579 -8.974 1.00 0.00 C ATOM 1275 ND1 HIS A 87 0.855 -8.805 -10.327 1.00 0.00 N ATOM 1276 CD2 HIS A 87 0.371 -9.602 -8.352 1.00 0.00 C ATOM 1277 CE1 HIS A 87 0.163 -9.915 -10.512 1.00 0.00 C ATOM 1278 NE2 HIS A 87 -0.142 -10.417 -9.331 1.00 0.00 N ATOM 0 H HIS A 87 0.331 -7.576 -6.396 1.00 0.00 H new ATOM 0 HA HIS A 87 2.919 -8.561 -7.045 1.00 0.00 H new ATOM 0 HB2 HIS A 87 1.063 -6.547 -8.373 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.546 -7.130 -9.103 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.286 -9.749 -7.286 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.107 -10.339 -11.468 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -0.673 -11.273 -9.171 1.00 0.00 H new ATOM 1287 N VAL A 88 2.658 -5.433 -6.085 1.00 0.00 N ATOM 1288 CA VAL A 88 3.425 -4.262 -5.673 1.00 0.00 C ATOM 1289 C VAL A 88 4.436 -4.621 -4.591 1.00 0.00 C ATOM 1290 O VAL A 88 5.497 -4.004 -4.490 1.00 0.00 O ATOM 1291 CB VAL A 88 2.507 -3.140 -5.151 1.00 0.00 C ATOM 1292 CG1 VAL A 88 3.327 -1.925 -4.746 1.00 0.00 C ATOM 1293 CG2 VAL A 88 1.470 -2.767 -6.200 1.00 0.00 C ATOM 0 H VAL A 88 1.656 -5.365 -5.909 1.00 0.00 H new ATOM 0 HA VAL A 88 3.953 -3.905 -6.557 1.00 0.00 H new ATOM 0 HB VAL A 88 1.982 -3.506 -4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.662 -1.143 -4.380 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.027 -2.204 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.881 -1.556 -5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.831 -1.973 -5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.974 -2.420 -7.102 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.862 -3.640 -6.437 1.00 0.00 H new ATOM 1303 N MET A 89 4.100 -5.617 -3.777 1.00 0.00 N ATOM 1304 CA MET A 89 4.985 -6.056 -2.706 1.00 0.00 C ATOM 1305 C MET A 89 6.091 -6.948 -3.257 1.00 0.00 C ATOM 1306 O MET A 89 7.211 -6.954 -2.745 1.00 0.00 O ATOM 1307 CB MET A 89 4.194 -6.805 -1.631 1.00 0.00 C ATOM 1308 CG MET A 89 2.968 -6.051 -1.136 1.00 0.00 C ATOM 1309 SD MET A 89 3.311 -4.318 -0.768 1.00 0.00 S ATOM 1310 CE MET A 89 4.272 -4.475 0.735 1.00 0.00 C ATOM 0 H MET A 89 3.223 -6.134 -3.839 1.00 0.00 H new ATOM 0 HA MET A 89 5.440 -5.173 -2.256 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.880 -7.770 -2.030 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.851 -7.008 -0.785 1.00 0.00 H new ATOM 0 HG2 MET A 89 2.183 -6.109 -1.890 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.585 -6.539 -0.240 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.575 -3.486 1.078 1.00 0.00 H new ATOM 0 HE2 MET A 89 3.668 -4.957 1.504 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.158 -5.078 0.539 1.00 0.00 H new ATOM 1320 N GLN A 90 5.773 -7.690 -4.312 1.00 0.00 N ATOM 1321 CA GLN A 90 6.742 -8.574 -4.943 1.00 0.00 C ATOM 1322 C GLN A 90 7.831 -7.770 -5.643 1.00 0.00 C ATOM 1323 O GLN A 90 8.984 -8.195 -5.711 1.00 0.00 O ATOM 1324 CB GLN A 90 6.046 -9.496 -5.948 1.00 0.00 C ATOM 1325 CG GLN A 90 4.884 -10.275 -5.355 1.00 0.00 C ATOM 1326 CD GLN A 90 4.930 -11.749 -5.708 1.00 0.00 C ATOM 1327 OE1 GLN A 90 5.988 -12.290 -6.029 1.00 0.00 O ATOM 1328 NE2 GLN A 90 3.777 -12.408 -5.653 1.00 0.00 N ATOM 0 H GLN A 90 4.851 -7.696 -4.747 1.00 0.00 H new ATOM 0 HA GLN A 90 7.205 -9.182 -4.165 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.683 -8.899 -6.785 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.776 -10.198 -6.350 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.893 -10.164 -4.271 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.946 -9.849 -5.711 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.923 -11.920 -5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.746 -13.401 -5.882 1.00 0.00 H new ATOM 1337 N LYS A 91 7.457 -6.603 -6.158 1.00 0.00 N ATOM 1338 CA LYS A 91 8.404 -5.733 -6.846 1.00 0.00 C ATOM 1339 C LYS A 91 9.581 -5.393 -5.940 1.00 0.00 C ATOM 1340 O LYS A 91 10.713 -5.251 -6.401 1.00 0.00 O ATOM 1341 CB LYS A 91 7.709 -4.448 -7.305 1.00 0.00 C ATOM 1342 CG LYS A 91 7.925 -4.134 -8.776 1.00 0.00 C ATOM 1343 CD LYS A 91 7.398 -5.246 -9.668 1.00 0.00 C ATOM 1344 CE LYS A 91 6.709 -4.691 -10.904 1.00 0.00 C ATOM 1345 NZ LYS A 91 5.379 -4.105 -10.582 1.00 0.00 N ATOM 0 H LYS A 91 6.506 -6.238 -6.112 1.00 0.00 H new ATOM 0 HA LYS A 91 8.781 -6.264 -7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.639 -4.535 -7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.074 -3.613 -6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.425 -3.198 -9.026 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.988 -3.988 -8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.222 -5.893 -9.969 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.697 -5.863 -9.106 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.341 -3.929 -11.360 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.587 -5.486 -11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.864 -3.908 -11.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.834 -4.777 -10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.509 -3.220 -10.052 1.00 0.00 H new ATOM 1359 N ARG A 92 9.305 -5.268 -4.645 1.00 0.00 N ATOM 1360 CA ARG A 92 10.342 -4.955 -3.671 1.00 0.00 C ATOM 1361 C ARG A 92 11.179 -6.191 -3.358 1.00 0.00 C ATOM 1362 O ARG A 92 12.390 -6.097 -3.154 1.00 0.00 O ATOM 1363 CB ARG A 92 9.715 -4.410 -2.385 1.00 0.00 C ATOM 1364 CG ARG A 92 10.725 -3.793 -1.432 1.00 0.00 C ATOM 1365 CD ARG A 92 11.149 -2.407 -1.890 1.00 0.00 C ATOM 1366 NE ARG A 92 11.715 -1.619 -0.799 1.00 0.00 N ATOM 1367 CZ ARG A 92 12.902 -1.865 -0.252 1.00 0.00 C ATOM 1368 NH1 ARG A 92 13.642 -2.871 -0.695 1.00 0.00 N ATOM 1369 NH2 ARG A 92 13.347 -1.104 0.738 1.00 0.00 N ATOM 0 H ARG A 92 8.372 -5.379 -4.248 1.00 0.00 H new ATOM 0 HA ARG A 92 10.994 -4.193 -4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.967 -3.661 -2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.192 -5.219 -1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.293 -3.731 -0.433 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.601 -4.438 -1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.884 -2.499 -2.690 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.288 -1.884 -2.306 1.00 0.00 H new ATOM 0 HE ARG A 92 11.170 -0.837 -0.436 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.301 -3.458 -1.457 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.552 -3.058 -0.274 1.00 0.00 H new ATOM 0 HH21 ARG A 92 12.779 -0.329 1.081 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.257 -1.293 1.157 1.00 0.00 H new ATOM 1383 N SER A 93 10.525 -7.347 -3.327 1.00 0.00 N ATOM 1384 CA SER A 93 11.208 -8.604 -3.049 1.00 0.00 C ATOM 1385 C SER A 93 12.416 -8.775 -3.963 1.00 0.00 C ATOM 1386 O SER A 93 13.531 -9.011 -3.500 1.00 0.00 O ATOM 1387 CB SER A 93 10.246 -9.781 -3.231 1.00 0.00 C ATOM 1388 OG SER A 93 10.526 -10.816 -2.305 1.00 0.00 O ATOM 0 H SER A 93 9.523 -7.439 -3.491 1.00 0.00 H new ATOM 0 HA SER A 93 11.554 -8.583 -2.016 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.219 -9.439 -3.100 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.326 -10.167 -4.247 1.00 0.00 H new ATOM 0 HG SER A 93 9.897 -11.555 -2.441 1.00 0.00 H new