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= -0.0727 X(o=-0.073,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.647 K(o=-0.65,f=-5.5!) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.00887 USER MOD Single : A 39 GLN : amide:sc= -0.0993 K(o=-0.099,f=-2.6!) USER MOD Single : A 41 THR OG1 : rot -13:sc= 0.413 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0572 USER MOD Single : A 46 SER OG : rot 6:sc= -1.82 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 96:sc= 0.0375 USER MOD Single : A 56 GLN : amide:sc= -1.52 K(o=-1.5,f=-3.1!) USER MOD Single : A 64 GLN : amide:sc= -0.0528 X(o=-0.053,f=0) USER MOD Single : A 66 MET CE :methyl 159:sc= -1.88! (180deg=-3.02!) USER MOD Single : A 86 MET CE :methyl -117:sc= -1.32 (180deg=-4.81!) USER MOD Single : A 87 HIS : no HD1:sc= -0.0195 X(o=-0.02,f=0) USER MOD Single : A 89 MET CE :methyl -160:sc= -0.814 (180deg=-1.15) USER MOD Single : A 90 GLN : amide:sc= -0.0259 X(o=-0.026,f=-0.27) 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 -5.704 13.755 -1.126 1.00 0.00 N ATOM 127 CA VAL A 9 -5.071 12.552 -0.607 1.00 0.00 C ATOM 128 C VAL A 9 -4.983 12.577 0.913 1.00 0.00 C ATOM 129 O VAL A 9 -4.906 13.640 1.527 1.00 0.00 O ATOM 130 CB VAL A 9 -3.655 12.374 -1.185 1.00 0.00 C ATOM 131 CG1 VAL A 9 -2.784 13.569 -0.834 1.00 0.00 C ATOM 132 CG2 VAL A 9 -3.029 11.081 -0.679 1.00 0.00 C ATOM 0 HA VAL A 9 -5.696 11.713 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.730 12.313 -2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.787 13.427 -1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.225 14.475 -1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.715 13.663 0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.029 10.973 -1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.965 11.109 0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.644 10.235 -0.985 1.00 0.00 H new ATOM 142 N GLY A 10 -4.989 11.392 1.509 1.00 0.00 N ATOM 143 CA GLY A 10 -4.880 11.278 2.947 1.00 0.00 C ATOM 144 C GLY A 10 -3.451 11.022 3.383 1.00 0.00 C ATOM 145 O GLY A 10 -3.044 11.415 4.476 1.00 0.00 O ATOM 0 H GLY A 10 -5.068 10.502 1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.244 12.194 3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.518 10.467 3.297 1.00 0.00 H new ATOM 149 N TRP A 11 -2.687 10.376 2.507 1.00 0.00 N ATOM 150 CA TRP A 11 -1.290 10.065 2.783 1.00 0.00 C ATOM 151 C TRP A 11 -0.394 11.266 2.482 1.00 0.00 C ATOM 152 O TRP A 11 -0.603 11.982 1.503 1.00 0.00 O ATOM 153 CB TRP A 11 -0.855 8.839 1.960 1.00 0.00 C ATOM 154 CG TRP A 11 0.631 8.651 1.861 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.389 7.739 2.538 1.00 0.00 C ATOM 156 CD2 TRP A 11 1.534 9.387 1.029 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.710 7.867 2.181 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.824 8.871 1.256 1.00 0.00 C ATOM 159 CE3 TRP A 11 1.380 10.433 0.116 1.00 0.00 C ATOM 160 CZ2 TRP A 11 3.949 9.367 0.603 1.00 0.00 C ATOM 161 CZ3 TRP A 11 2.499 10.924 -0.531 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.768 10.390 -0.285 1.00 0.00 C ATOM 0 H TRP A 11 -3.015 10.057 1.596 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.187 9.832 3.843 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.293 7.945 2.404 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.265 8.928 0.954 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.007 7.022 3.250 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.480 7.306 2.545 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.404 10.851 -0.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.930 8.958 0.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.391 11.733 -1.238 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.622 10.794 -0.807 1.00 0.00 H new ATOM 173 N ASP A 12 0.608 11.471 3.331 1.00 0.00 N ATOM 174 CA ASP A 12 1.547 12.573 3.161 1.00 0.00 C ATOM 175 C ASP A 12 2.955 12.154 3.581 1.00 0.00 C ATOM 176 O ASP A 12 3.130 11.478 4.596 1.00 0.00 O ATOM 177 CB ASP A 12 1.097 13.785 3.980 1.00 0.00 C ATOM 178 CG ASP A 12 0.183 14.706 3.196 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.482 14.971 2.012 1.00 0.00 O ATOM 180 OD2 ASP A 12 -0.831 15.162 3.765 1.00 0.00 O ATOM 0 H ASP A 12 0.790 10.886 4.146 1.00 0.00 H new ATOM 0 HA ASP A 12 1.566 12.844 2.105 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.581 13.442 4.877 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.973 14.343 4.310 1.00 0.00 H new ATOM 185 N PRO A 13 3.981 12.545 2.806 1.00 0.00 N ATOM 186 CA PRO A 13 5.374 12.195 3.104 1.00 0.00 C ATOM 187 C PRO A 13 5.793 12.623 4.508 1.00 0.00 C ATOM 188 O PRO A 13 6.383 13.687 4.692 1.00 0.00 O ATOM 189 CB PRO A 13 6.174 12.967 2.052 1.00 0.00 C ATOM 190 CG PRO A 13 5.216 13.190 0.935 1.00 0.00 C ATOM 191 CD PRO A 13 3.866 13.349 1.575 1.00 0.00 C ATOM 0 HA PRO A 13 5.535 11.117 3.073 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.544 13.912 2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.043 12.399 1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.484 14.078 0.362 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.223 12.349 0.241 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.645 14.393 1.795 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.068 12.984 0.928 1.00 0.00 H new ATOM 199 N GLN A 14 5.489 11.784 5.494 1.00 0.00 N ATOM 200 CA GLN A 14 5.841 12.074 6.879 1.00 0.00 C ATOM 201 C GLN A 14 5.460 10.913 7.791 1.00 0.00 C ATOM 202 O GLN A 14 6.288 10.411 8.552 1.00 0.00 O ATOM 203 CB GLN A 14 5.147 13.354 7.348 1.00 0.00 C ATOM 204 CG GLN A 14 6.086 14.545 7.467 1.00 0.00 C ATOM 205 CD GLN A 14 5.364 15.872 7.340 1.00 0.00 C ATOM 206 OE1 GLN A 14 5.346 16.674 8.274 1.00 0.00 O ATOM 207 NE2 GLN A 14 4.763 16.110 6.181 1.00 0.00 N ATOM 0 H GLN A 14 5.000 10.899 5.359 1.00 0.00 H new ATOM 0 HA GLN A 14 6.921 12.215 6.931 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.347 13.601 6.650 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.680 13.171 8.316 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.598 14.505 8.429 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.852 14.477 6.695 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.803 15.417 5.434 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.261 16.986 6.037 1.00 0.00 H new ATOM 216 N ASN A 15 4.205 10.487 7.705 1.00 0.00 N ATOM 217 CA ASN A 15 3.716 9.380 8.519 1.00 0.00 C ATOM 218 C ASN A 15 3.602 8.104 7.691 1.00 0.00 C ATOM 219 O ASN A 15 4.176 7.073 8.039 1.00 0.00 O ATOM 220 CB ASN A 15 2.356 9.730 9.126 1.00 0.00 C ATOM 221 CG ASN A 15 1.430 10.396 8.127 1.00 0.00 C ATOM 222 OD1 ASN A 15 0.895 9.746 7.230 1.00 0.00 O ATOM 223 ND2 ASN A 15 1.238 11.702 8.278 1.00 0.00 N ATOM 0 H ASN A 15 3.508 10.891 7.080 1.00 0.00 H new ATOM 0 HA ASN A 15 4.433 9.208 9.322 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.886 8.822 9.504 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.502 10.392 9.979 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.626 12.205 7.635 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.702 12.201 9.037 1.00 0.00 H new ATOM 230 N GLY A 16 2.857 8.184 6.593 1.00 0.00 N ATOM 231 CA GLY A 16 2.677 7.029 5.733 1.00 0.00 C ATOM 232 C GLY A 16 1.311 6.396 5.898 1.00 0.00 C ATOM 233 O GLY A 16 0.328 6.867 5.326 1.00 0.00 O ATOM 0 H GLY A 16 2.375 9.028 6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.813 7.328 4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.447 6.290 5.955 1.00 0.00 H new ATOM 237 N PHE A 17 1.246 5.328 6.686 1.00 0.00 N ATOM 238 CA PHE A 17 -0.012 4.633 6.927 1.00 0.00 C ATOM 239 C PHE A 17 -0.561 4.968 8.309 1.00 0.00 C ATOM 240 O PHE A 17 0.085 5.665 9.092 1.00 0.00 O ATOM 241 CB PHE A 17 0.186 3.122 6.801 1.00 0.00 C ATOM 242 CG PHE A 17 0.051 2.607 5.396 1.00 0.00 C ATOM 243 CD1 PHE A 17 1.147 2.575 4.548 1.00 0.00 C ATOM 244 CD2 PHE A 17 -1.168 2.146 4.929 1.00 0.00 C ATOM 245 CE1 PHE A 17 1.026 2.097 3.256 1.00 0.00 C ATOM 246 CE2 PHE A 17 -1.294 1.666 3.639 1.00 0.00 C ATOM 247 CZ PHE A 17 -0.197 1.642 2.802 1.00 0.00 C ATOM 0 H PHE A 17 2.050 4.925 7.168 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.731 4.964 6.178 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.174 2.862 7.180 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.542 2.616 7.435 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.105 2.927 4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.030 2.162 5.580 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.886 2.079 2.603 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.251 1.310 3.286 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.294 1.268 1.793 1.00 0.00 H new ATOM 257 N ASP A 18 -1.751 4.460 8.605 1.00 0.00 N ATOM 258 CA ASP A 18 -2.383 4.698 9.897 1.00 0.00 C ATOM 259 C ASP A 18 -3.057 3.431 10.409 1.00 0.00 C ATOM 260 O ASP A 18 -4.087 3.493 11.080 1.00 0.00 O ATOM 261 CB ASP A 18 -3.409 5.828 9.788 1.00 0.00 C ATOM 262 CG ASP A 18 -3.235 6.873 10.872 1.00 0.00 C ATOM 263 OD1 ASP A 18 -2.085 7.298 11.108 1.00 0.00 O ATOM 264 OD2 ASP A 18 -4.250 7.267 11.485 1.00 0.00 O ATOM 0 H ASP A 18 -2.298 3.881 7.968 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.608 4.990 10.606 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.320 6.303 8.811 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.414 5.410 9.848 1.00 0.00 H new ATOM 269 N VAL A 19 -2.459 2.282 10.098 1.00 0.00 N ATOM 270 CA VAL A 19 -2.994 0.983 10.513 1.00 0.00 C ATOM 271 C VAL A 19 -3.546 1.021 11.938 1.00 0.00 C ATOM 272 O VAL A 19 -4.488 0.300 12.267 1.00 0.00 O ATOM 273 CB VAL A 19 -1.916 -0.114 10.424 1.00 0.00 C ATOM 274 CG1 VAL A 19 -0.783 0.171 11.399 1.00 0.00 C ATOM 275 CG2 VAL A 19 -2.519 -1.485 10.680 1.00 0.00 C ATOM 0 H VAL A 19 -1.597 2.223 9.556 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.810 0.752 9.828 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.506 -0.111 9.414 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.031 -0.614 11.322 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.330 1.133 11.159 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.176 0.199 12.415 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.739 -2.244 10.612 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.962 -1.508 11.676 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.289 -1.688 9.936 1.00 0.00 H new ATOM 285 N ASN A 20 -2.959 1.870 12.778 1.00 0.00 N ATOM 286 CA ASN A 20 -3.405 2.003 14.160 1.00 0.00 C ATOM 287 C ASN A 20 -4.805 2.605 14.220 1.00 0.00 C ATOM 288 O ASN A 20 -5.689 2.084 14.898 1.00 0.00 O ATOM 289 CB ASN A 20 -2.429 2.873 14.956 1.00 0.00 C ATOM 290 CG ASN A 20 -2.791 2.947 16.427 1.00 0.00 C ATOM 291 OD1 ASN A 20 -3.260 1.972 17.012 1.00 0.00 O ATOM 292 ND2 ASN A 20 -2.574 4.110 17.033 1.00 0.00 N ATOM 0 H ASN A 20 -2.176 2.474 12.526 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.434 1.008 14.603 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.421 2.472 14.852 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.417 3.879 14.536 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.798 4.219 18.022 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.183 4.893 16.509 1.00 0.00 H new ATOM 299 N ASN A 21 -4.997 3.707 13.501 1.00 0.00 N ATOM 300 CA ASN A 21 -6.292 4.375 13.453 1.00 0.00 C ATOM 301 C ASN A 21 -6.874 4.303 12.046 1.00 0.00 C ATOM 302 O ASN A 21 -7.568 5.217 11.599 1.00 0.00 O ATOM 303 CB ASN A 21 -6.154 5.835 13.889 1.00 0.00 C ATOM 304 CG ASN A 21 -6.936 6.138 15.151 1.00 0.00 C ATOM 305 OD1 ASN A 21 -7.896 6.908 15.132 1.00 0.00 O ATOM 306 ND2 ASN A 21 -6.529 5.531 16.260 1.00 0.00 N ATOM 0 H ASN A 21 -4.271 4.156 12.943 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.969 3.866 14.139 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.101 6.064 14.054 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.500 6.485 13.086 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.017 5.696 17.140 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.728 4.900 16.231 1.00 0.00 H new ATOM 313 N LEU A 22 -6.576 3.210 11.354 1.00 0.00 N ATOM 314 CA LEU A 22 -7.045 3.006 9.990 1.00 0.00 C ATOM 315 C LEU A 22 -8.203 2.005 9.965 1.00 0.00 C ATOM 316 O LEU A 22 -8.192 1.005 10.683 1.00 0.00 O ATOM 317 CB LEU A 22 -5.869 2.556 9.105 1.00 0.00 C ATOM 318 CG LEU A 22 -6.195 1.554 7.998 1.00 0.00 C ATOM 319 CD1 LEU A 22 -7.178 2.154 7.005 1.00 0.00 C ATOM 320 CD2 LEU A 22 -4.925 1.101 7.295 1.00 0.00 C ATOM 0 H LEU A 22 -6.007 2.446 11.719 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.429 3.944 9.589 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.429 3.441 8.646 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.106 2.118 9.748 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.662 0.680 8.452 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.397 1.425 6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.100 2.421 7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.742 3.046 6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.178 0.388 6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.426 1.964 6.854 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.260 0.626 8.016 1.00 0.00 H new ATOM 332 N ASP A 23 -9.206 2.299 9.143 1.00 0.00 N ATOM 333 CA ASP A 23 -10.387 1.451 9.028 1.00 0.00 C ATOM 334 C ASP A 23 -10.008 -0.006 8.777 1.00 0.00 C ATOM 335 O ASP A 23 -8.859 -0.316 8.464 1.00 0.00 O ATOM 336 CB ASP A 23 -11.286 1.953 7.897 1.00 0.00 C ATOM 337 CG ASP A 23 -12.538 2.634 8.412 1.00 0.00 C ATOM 338 OD1 ASP A 23 -13.116 2.144 9.405 1.00 0.00 O ATOM 339 OD2 ASP A 23 -12.943 3.657 7.820 1.00 0.00 O ATOM 0 H ASP A 23 -9.223 3.124 8.543 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.926 1.503 9.974 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.726 2.651 7.274 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.568 1.114 7.261 1.00 0.00 H new ATOM 344 N PRO A 24 -10.986 -0.921 8.903 1.00 0.00 N ATOM 345 CA PRO A 24 -10.765 -2.351 8.691 1.00 0.00 C ATOM 346 C PRO A 24 -10.745 -2.723 7.211 1.00 0.00 C ATOM 347 O PRO A 24 -9.959 -3.569 6.785 1.00 0.00 O ATOM 348 CB PRO A 24 -11.963 -2.990 9.388 1.00 0.00 C ATOM 349 CG PRO A 24 -13.052 -1.979 9.269 1.00 0.00 C ATOM 350 CD PRO A 24 -12.384 -0.629 9.275 1.00 0.00 C ATOM 0 HA PRO A 24 -9.800 -2.681 9.076 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.242 -3.931 8.913 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.742 -3.213 10.432 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -13.620 -2.127 8.350 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.756 -2.067 10.097 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.853 0.051 8.564 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.446 -0.157 10.256 1.00 0.00 H new ATOM 358 N ASP A 25 -11.614 -2.086 6.431 1.00 0.00 N ATOM 359 CA ASP A 25 -11.687 -2.348 4.999 1.00 0.00 C ATOM 360 C ASP A 25 -10.306 -2.248 4.362 1.00 0.00 C ATOM 361 O ASP A 25 -9.869 -3.155 3.654 1.00 0.00 O ATOM 362 CB ASP A 25 -12.647 -1.366 4.323 1.00 0.00 C ATOM 363 CG ASP A 25 -13.998 -1.988 4.028 1.00 0.00 C ATOM 364 OD1 ASP A 25 -14.550 -2.661 4.925 1.00 0.00 O ATOM 365 OD2 ASP A 25 -14.503 -1.804 2.901 1.00 0.00 O ATOM 0 H ASP A 25 -12.276 -1.386 6.767 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.063 -3.361 4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.783 -0.496 4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.203 -1.010 3.393 1.00 0.00 H new ATOM 370 N LEU A 26 -9.620 -1.140 4.626 1.00 0.00 N ATOM 371 CA LEU A 26 -8.282 -0.927 4.092 1.00 0.00 C ATOM 372 C LEU A 26 -7.282 -1.874 4.748 1.00 0.00 C ATOM 373 O LEU A 26 -6.254 -2.211 4.162 1.00 0.00 O ATOM 374 CB LEU A 26 -7.849 0.525 4.311 1.00 0.00 C ATOM 375 CG LEU A 26 -7.288 1.225 3.071 1.00 0.00 C ATOM 376 CD1 LEU A 26 -6.253 0.347 2.385 1.00 0.00 C ATOM 377 CD2 LEU A 26 -8.409 1.584 2.108 1.00 0.00 C ATOM 0 H LEU A 26 -9.970 -0.377 5.206 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.304 -1.134 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.705 1.093 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.094 0.549 5.097 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.800 2.147 3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.865 0.861 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.435 0.142 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.716 -0.592 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.991 2.081 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.927 0.676 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.114 2.252 2.603 1.00 0.00 H new ATOM 389 N ARG A 27 -7.596 -2.302 5.967 1.00 0.00 N ATOM 390 CA ARG A 27 -6.732 -3.216 6.703 1.00 0.00 C ATOM 391 C ARG A 27 -6.739 -4.600 6.064 1.00 0.00 C ATOM 392 O ARG A 27 -5.691 -5.129 5.692 1.00 0.00 O ATOM 393 CB ARG A 27 -7.183 -3.312 8.161 1.00 0.00 C ATOM 394 CG ARG A 27 -6.073 -3.715 9.116 1.00 0.00 C ATOM 395 CD ARG A 27 -6.414 -3.355 10.552 1.00 0.00 C ATOM 396 NE ARG A 27 -6.103 -4.440 11.478 1.00 0.00 N ATOM 397 CZ ARG A 27 -6.741 -5.607 11.485 1.00 0.00 C ATOM 398 NH1 ARG A 27 -7.721 -5.836 10.621 1.00 0.00 N ATOM 399 NH2 ARG A 27 -6.398 -6.545 12.357 1.00 0.00 N ATOM 0 H ARG A 27 -8.443 -2.030 6.465 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.715 -2.825 6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.586 -2.348 8.472 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.995 -4.036 8.235 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.899 -4.788 9.041 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.146 -3.221 8.827 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.862 -2.461 10.842 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.474 -3.111 10.622 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.356 -4.295 12.157 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.987 -5.116 9.949 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.209 -6.732 10.629 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.645 -6.372 13.023 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.887 -7.440 12.362 1.00 0.00 H new ATOM 413 N SER A 28 -7.928 -5.183 5.939 1.00 0.00 N ATOM 414 CA SER A 28 -8.073 -6.504 5.339 1.00 0.00 C ATOM 415 C SER A 28 -7.560 -6.503 3.903 1.00 0.00 C ATOM 416 O SER A 28 -7.036 -7.506 3.419 1.00 0.00 O ATOM 417 CB SER A 28 -9.537 -6.944 5.371 1.00 0.00 C ATOM 418 OG SER A 28 -10.005 -7.065 6.703 1.00 0.00 O ATOM 0 H SER A 28 -8.804 -4.761 6.245 1.00 0.00 H new ATOM 0 HA SER A 28 -7.478 -7.209 5.920 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.149 -6.221 4.832 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.644 -7.899 4.857 1.00 0.00 H new ATOM 0 HG SER A 28 -10.944 -7.346 6.696 1.00 0.00 H new ATOM 424 N LEU A 29 -7.713 -5.368 3.230 1.00 0.00 N ATOM 425 CA LEU A 29 -7.255 -5.225 1.853 1.00 0.00 C ATOM 426 C LEU A 29 -5.765 -5.535 1.740 1.00 0.00 C ATOM 427 O LEU A 29 -5.273 -5.882 0.665 1.00 0.00 O ATOM 428 CB LEU A 29 -7.534 -3.806 1.352 1.00 0.00 C ATOM 429 CG LEU A 29 -7.297 -3.583 -0.145 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.876 -4.731 -0.958 1.00 0.00 C ATOM 431 CD2 LEU A 29 -7.897 -2.257 -0.587 1.00 0.00 C ATOM 0 H LEU A 29 -8.152 -4.532 3.617 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.801 -5.938 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.570 -3.554 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.906 -3.111 1.910 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.222 -3.550 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.697 -4.553 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.398 -5.664 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.949 -4.800 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.719 -2.115 -1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.970 -2.261 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.432 -1.444 -0.030 1.00 0.00 H new ATOM 443 N PHE A 30 -5.051 -5.409 2.855 1.00 0.00 N ATOM 444 CA PHE A 30 -3.616 -5.670 2.882 1.00 0.00 C ATOM 445 C PHE A 30 -3.328 -7.100 3.326 1.00 0.00 C ATOM 446 O PHE A 30 -2.656 -7.855 2.624 1.00 0.00 O ATOM 447 CB PHE A 30 -2.921 -4.683 3.821 1.00 0.00 C ATOM 448 CG PHE A 30 -2.674 -3.337 3.202 1.00 0.00 C ATOM 449 CD1 PHE A 30 -1.814 -3.202 2.125 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.305 -2.208 3.698 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.585 -1.964 1.555 1.00 0.00 C ATOM 452 CE2 PHE A 30 -3.081 -0.968 3.132 1.00 0.00 C ATOM 453 CZ PHE A 30 -2.219 -0.845 2.058 1.00 0.00 C ATOM 0 H PHE A 30 -5.444 -5.127 3.753 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.228 -5.541 1.872 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.530 -4.556 4.716 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.969 -5.107 4.140 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.317 -4.074 1.726 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.980 -2.298 4.537 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.911 -1.872 0.717 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.579 -0.095 3.528 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.042 0.123 1.614 1.00 0.00 H new ATOM 463 N SER A 31 -3.842 -7.466 4.497 1.00 0.00 N ATOM 464 CA SER A 31 -3.635 -8.805 5.038 1.00 0.00 C ATOM 465 C SER A 31 -3.971 -9.873 4.002 1.00 0.00 C ATOM 466 O SER A 31 -3.460 -10.991 4.062 1.00 0.00 O ATOM 467 CB SER A 31 -4.490 -9.009 6.290 1.00 0.00 C ATOM 468 OG SER A 31 -3.736 -8.766 7.466 1.00 0.00 O ATOM 0 H SER A 31 -4.404 -6.854 5.089 1.00 0.00 H new ATOM 0 HA SER A 31 -2.582 -8.901 5.303 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.350 -8.340 6.260 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.879 -10.027 6.307 1.00 0.00 H new ATOM 0 HG SER A 31 -4.304 -8.901 8.253 1.00 0.00 H new ATOM 474 N ARG A 32 -4.832 -9.522 3.053 1.00 0.00 N ATOM 475 CA ARG A 32 -5.239 -10.452 2.006 1.00 0.00 C ATOM 476 C ARG A 32 -4.223 -10.476 0.868 1.00 0.00 C ATOM 477 O ARG A 32 -4.118 -11.463 0.139 1.00 0.00 O ATOM 478 CB ARG A 32 -6.617 -10.069 1.464 1.00 0.00 C ATOM 479 CG ARG A 32 -7.749 -10.315 2.448 1.00 0.00 C ATOM 480 CD ARG A 32 -9.039 -9.658 1.988 1.00 0.00 C ATOM 481 NE ARG A 32 -10.091 -10.637 1.730 1.00 0.00 N ATOM 482 CZ ARG A 32 -11.371 -10.318 1.571 1.00 0.00 C ATOM 483 NH1 ARG A 32 -11.755 -9.051 1.645 1.00 0.00 N ATOM 484 NH2 ARG A 32 -12.269 -11.266 1.340 1.00 0.00 N ATOM 0 H ARG A 32 -5.262 -8.599 2.987 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.289 -11.449 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.609 -9.014 1.188 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.810 -10.635 0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.906 -11.387 2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.471 -9.927 3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.378 -8.954 2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.849 -9.083 1.082 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.829 -11.621 1.668 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.067 -8.319 1.824 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.738 -8.808 1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.978 -12.242 1.284 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.251 -11.019 1.218 1.00 0.00 H new ATOM 498 N ALA A 33 -3.479 -9.385 0.719 1.00 0.00 N ATOM 499 CA ALA A 33 -2.476 -9.282 -0.336 1.00 0.00 C ATOM 500 C ALA A 33 -1.147 -9.885 0.106 1.00 0.00 C ATOM 501 O ALA A 33 -0.331 -10.284 -0.724 1.00 0.00 O ATOM 502 CB ALA A 33 -2.288 -7.830 -0.748 1.00 0.00 C ATOM 0 H ALA A 33 -3.551 -8.560 1.315 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.833 -9.848 -1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.537 -7.770 -1.536 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.233 -7.431 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.959 -7.247 0.112 1.00 0.00 H new ATOM 508 N GLY A 34 -0.937 -9.951 1.417 1.00 0.00 N ATOM 509 CA GLY A 34 0.296 -10.508 1.941 1.00 0.00 C ATOM 510 C GLY A 34 1.165 -9.466 2.617 1.00 0.00 C ATOM 511 O GLY A 34 2.393 -9.544 2.565 1.00 0.00 O ATOM 0 H GLY A 34 -1.598 -9.629 2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.059 -11.297 2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.856 -10.971 1.128 1.00 0.00 H new ATOM 515 N ILE A 35 0.528 -8.489 3.252 1.00 0.00 N ATOM 516 CA ILE A 35 1.250 -7.428 3.945 1.00 0.00 C ATOM 517 C ILE A 35 0.847 -7.365 5.415 1.00 0.00 C ATOM 518 O ILE A 35 -0.336 -7.428 5.747 1.00 0.00 O ATOM 519 CB ILE A 35 0.998 -6.055 3.294 1.00 0.00 C ATOM 520 CG1 ILE A 35 1.381 -6.090 1.812 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.775 -4.970 4.022 1.00 0.00 C ATOM 522 CD1 ILE A 35 1.118 -4.786 1.091 1.00 0.00 C ATOM 0 H ILE A 35 -0.488 -8.409 3.301 1.00 0.00 H new ATOM 0 HA ILE A 35 2.311 -7.664 3.869 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.065 -5.825 3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.439 -6.338 1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.824 -6.887 1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.585 -4.007 3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.457 -4.931 5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.841 -5.193 3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.412 -4.882 0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.056 -4.546 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.696 -3.989 1.559 1.00 0.00 H new ATOM 534 N SER A 36 1.838 -7.241 6.291 1.00 0.00 N ATOM 535 CA SER A 36 1.584 -7.176 7.725 1.00 0.00 C ATOM 536 C SER A 36 1.711 -5.747 8.242 1.00 0.00 C ATOM 537 O SER A 36 2.016 -4.826 7.485 1.00 0.00 O ATOM 538 CB SER A 36 2.554 -8.091 8.476 1.00 0.00 C ATOM 539 OG SER A 36 2.015 -8.492 9.724 1.00 0.00 O ATOM 0 H SER A 36 2.823 -7.184 6.033 1.00 0.00 H new ATOM 0 HA SER A 36 0.563 -7.514 7.901 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.771 -8.971 7.871 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.499 -7.572 8.635 1.00 0.00 H new ATOM 0 HG SER A 36 2.653 -9.077 10.183 1.00 0.00 H new ATOM 545 N GLU A 37 1.473 -5.571 9.538 1.00 0.00 N ATOM 546 CA GLU A 37 1.557 -4.256 10.161 1.00 0.00 C ATOM 547 C GLU A 37 2.964 -3.680 10.033 1.00 0.00 C ATOM 548 O GLU A 37 3.137 -2.483 9.804 1.00 0.00 O ATOM 549 CB GLU A 37 1.164 -4.343 11.637 1.00 0.00 C ATOM 550 CG GLU A 37 -0.178 -3.700 11.948 1.00 0.00 C ATOM 551 CD GLU A 37 -1.060 -4.578 12.815 1.00 0.00 C ATOM 552 OE1 GLU A 37 -1.298 -5.742 12.431 1.00 0.00 O ATOM 553 OE2 GLU A 37 -1.510 -4.101 13.878 1.00 0.00 O ATOM 0 H GLU A 37 1.220 -6.324 10.177 1.00 0.00 H new ATOM 0 HA GLU A 37 0.864 -3.593 9.644 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.133 -5.391 11.935 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.936 -3.863 12.239 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.012 -2.748 12.452 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.696 -3.480 11.015 1.00 0.00 H new ATOM 560 N ALA A 38 3.965 -4.541 10.185 1.00 0.00 N ATOM 561 CA ALA A 38 5.358 -4.120 10.092 1.00 0.00 C ATOM 562 C ALA A 38 5.599 -3.286 8.837 1.00 0.00 C ATOM 563 O ALA A 38 6.236 -2.235 8.893 1.00 0.00 O ATOM 564 CB ALA A 38 6.277 -5.331 10.108 1.00 0.00 C ATOM 0 H ALA A 38 3.837 -5.535 10.373 1.00 0.00 H new ATOM 0 HA ALA A 38 5.581 -3.497 10.958 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.314 -5.002 10.038 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.134 -5.884 11.036 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.043 -5.976 9.261 1.00 0.00 H new ATOM 570 N GLN A 39 5.087 -3.762 7.707 1.00 0.00 N ATOM 571 CA GLN A 39 5.248 -3.058 6.441 1.00 0.00 C ATOM 572 C GLN A 39 4.458 -1.754 6.441 1.00 0.00 C ATOM 573 O GLN A 39 4.884 -0.758 5.857 1.00 0.00 O ATOM 574 CB GLN A 39 4.795 -3.941 5.278 1.00 0.00 C ATOM 575 CG GLN A 39 5.910 -4.789 4.687 1.00 0.00 C ATOM 576 CD GLN A 39 5.654 -6.275 4.841 1.00 0.00 C ATOM 577 OE1 GLN A 39 4.677 -6.806 4.313 1.00 0.00 O ATOM 578 NE2 GLN A 39 6.533 -6.953 5.568 1.00 0.00 N ATOM 0 H GLN A 39 4.558 -4.631 7.642 1.00 0.00 H new ATOM 0 HA GLN A 39 6.305 -2.823 6.318 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.994 -4.596 5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.376 -3.309 4.495 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.021 -4.551 3.629 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.852 -4.534 5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.328 -6.471 5.987 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.413 -7.956 5.708 1.00 0.00 H new ATOM 587 N LEU A 40 3.304 -1.768 7.100 1.00 0.00 N ATOM 588 CA LEU A 40 2.455 -0.586 7.176 1.00 0.00 C ATOM 589 C LEU A 40 3.065 0.466 8.099 1.00 0.00 C ATOM 590 O LEU A 40 2.776 1.655 7.976 1.00 0.00 O ATOM 591 CB LEU A 40 1.055 -0.965 7.666 1.00 0.00 C ATOM 592 CG LEU A 40 0.370 -2.074 6.866 1.00 0.00 C ATOM 593 CD1 LEU A 40 -0.922 -2.502 7.546 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.099 -1.616 5.440 1.00 0.00 C ATOM 0 H LEU A 40 2.936 -2.584 7.589 1.00 0.00 H new ATOM 0 HA LEU A 40 2.377 -0.162 6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.123 -1.278 8.708 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.424 -0.076 7.641 1.00 0.00 H new ATOM 0 HG LEU A 40 1.039 -2.934 6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.396 -3.292 6.963 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.701 -2.873 8.547 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.596 -1.648 7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.389 -2.419 4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.550 -0.740 5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.041 -1.361 4.955 1.00 0.00 H new ATOM 606 N THR A 41 3.918 0.024 9.017 1.00 0.00 N ATOM 607 CA THR A 41 4.566 0.933 9.956 1.00 0.00 C ATOM 608 C THR A 41 5.986 1.265 9.507 1.00 0.00 C ATOM 609 O THR A 41 6.902 1.347 10.323 1.00 0.00 O ATOM 610 CB THR A 41 4.593 0.320 11.357 1.00 0.00 C ATOM 611 OG1 THR A 41 5.410 -0.838 11.380 1.00 0.00 O ATOM 612 CG2 THR A 41 3.224 -0.071 11.868 1.00 0.00 C ATOM 0 H THR A 41 4.176 -0.956 9.131 1.00 0.00 H new ATOM 0 HA THR A 41 3.988 1.857 9.981 1.00 0.00 H new ATOM 0 HB THR A 41 4.993 1.099 12.006 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.607 -1.118 10.462 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.317 -0.499 12.866 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.585 0.811 11.909 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.782 -0.808 11.197 1.00 0.00 H new ATOM 620 N ASP A 42 6.160 1.461 8.203 1.00 0.00 N ATOM 621 CA ASP A 42 7.468 1.788 7.647 1.00 0.00 C ATOM 622 C ASP A 42 7.392 3.035 6.773 1.00 0.00 C ATOM 623 O ASP A 42 6.486 3.175 5.952 1.00 0.00 O ATOM 624 CB ASP A 42 8.006 0.611 6.831 1.00 0.00 C ATOM 625 CG ASP A 42 9.281 0.036 7.415 1.00 0.00 C ATOM 626 OD1 ASP A 42 10.247 0.804 7.604 1.00 0.00 O ATOM 627 OD2 ASP A 42 9.312 -1.183 7.683 1.00 0.00 O ATOM 0 H ASP A 42 5.412 1.399 7.513 1.00 0.00 H new ATOM 0 HA ASP A 42 8.148 1.989 8.475 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.248 -0.170 6.782 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.193 0.937 5.808 1.00 0.00 H new ATOM 632 N ALA A 43 8.350 3.937 6.953 1.00 0.00 N ATOM 633 CA ALA A 43 8.392 5.172 6.179 1.00 0.00 C ATOM 634 C ALA A 43 8.966 4.928 4.788 1.00 0.00 C ATOM 635 O ALA A 43 8.534 5.541 3.811 1.00 0.00 O ATOM 636 CB ALA A 43 9.208 6.228 6.911 1.00 0.00 C ATOM 0 H ALA A 43 9.108 3.836 7.628 1.00 0.00 H new ATOM 0 HA ALA A 43 7.370 5.534 6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.230 7.144 6.321 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.753 6.432 7.880 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.226 5.865 7.056 1.00 0.00 H new ATOM 642 N GLU A 44 9.942 4.031 4.705 1.00 0.00 N ATOM 643 CA GLU A 44 10.579 3.709 3.432 1.00 0.00 C ATOM 644 C GLU A 44 9.715 2.752 2.616 1.00 0.00 C ATOM 645 O GLU A 44 9.717 2.795 1.386 1.00 0.00 O ATOM 646 CB GLU A 44 11.957 3.090 3.671 1.00 0.00 C ATOM 647 CG GLU A 44 13.093 4.100 3.620 1.00 0.00 C ATOM 648 CD GLU A 44 14.453 3.457 3.799 1.00 0.00 C ATOM 649 OE1 GLU A 44 14.712 2.423 3.147 1.00 0.00 O ATOM 650 OE2 GLU A 44 15.261 3.986 4.591 1.00 0.00 O ATOM 0 H GLU A 44 10.310 3.514 5.503 1.00 0.00 H new ATOM 0 HA GLU A 44 10.695 4.635 2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.962 2.598 4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.134 2.318 2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.066 4.624 2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.944 4.849 4.398 1.00 0.00 H new ATOM 657 N THR A 45 8.981 1.888 3.309 1.00 0.00 N ATOM 658 CA THR A 45 8.113 0.920 2.648 1.00 0.00 C ATOM 659 C THR A 45 6.746 1.528 2.348 1.00 0.00 C ATOM 660 O THR A 45 6.048 1.089 1.433 1.00 0.00 O ATOM 661 CB THR A 45 7.948 -0.326 3.520 1.00 0.00 C ATOM 662 OG1 THR A 45 9.167 -0.651 4.165 1.00 0.00 O ATOM 663 CG2 THR A 45 7.499 -1.545 2.744 1.00 0.00 C ATOM 0 H THR A 45 8.970 1.838 4.328 1.00 0.00 H new ATOM 0 HA THR A 45 8.579 0.637 1.704 1.00 0.00 H new ATOM 0 HB THR A 45 7.174 -0.072 4.244 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.041 -1.449 4.719 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.402 -2.393 3.422 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.536 -1.343 2.275 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.235 -1.778 1.975 1.00 0.00 H new ATOM 671 N SER A 46 6.370 2.541 3.122 1.00 0.00 N ATOM 672 CA SER A 46 5.086 3.206 2.938 1.00 0.00 C ATOM 673 C SER A 46 4.972 3.798 1.537 1.00 0.00 C ATOM 674 O SER A 46 4.054 3.468 0.786 1.00 0.00 O ATOM 675 CB SER A 46 4.906 4.308 3.985 1.00 0.00 C ATOM 676 OG SER A 46 6.107 5.033 4.177 1.00 0.00 O ATOM 0 H SER A 46 6.936 2.919 3.882 1.00 0.00 H new ATOM 0 HA SER A 46 4.300 2.461 3.062 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.114 4.988 3.669 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.589 3.867 4.930 1.00 0.00 H new ATOM 0 HG SER A 46 6.775 4.738 3.524 1.00 0.00 H new ATOM 682 N LYS A 47 5.908 4.676 1.192 1.00 0.00 N ATOM 683 CA LYS A 47 5.909 5.316 -0.118 1.00 0.00 C ATOM 684 C LYS A 47 5.912 4.276 -1.233 1.00 0.00 C ATOM 685 O LYS A 47 5.431 4.533 -2.335 1.00 0.00 O ATOM 686 CB LYS A 47 7.126 6.232 -0.259 1.00 0.00 C ATOM 687 CG LYS A 47 7.019 7.512 0.552 1.00 0.00 C ATOM 688 CD LYS A 47 8.385 8.005 1.000 1.00 0.00 C ATOM 689 CE LYS A 47 9.205 8.513 -0.173 1.00 0.00 C ATOM 690 NZ LYS A 47 9.986 9.730 0.182 1.00 0.00 N ATOM 0 H LYS A 47 6.675 4.960 1.801 1.00 0.00 H new ATOM 0 HA LYS A 47 5.000 5.912 -0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.018 5.688 0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.259 6.488 -1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.531 8.282 -0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.389 7.339 1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.263 8.803 1.733 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.920 7.196 1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.885 7.730 -0.507 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.543 8.738 -1.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.532 10.046 -0.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.336 10.486 0.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.637 9.509 0.963 1.00 0.00 H new ATOM 704 N LEU A 48 6.459 3.103 -0.940 1.00 0.00 N ATOM 705 CA LEU A 48 6.513 2.026 -1.920 1.00 0.00 C ATOM 706 C LEU A 48 5.139 1.391 -2.097 1.00 0.00 C ATOM 707 O LEU A 48 4.773 0.973 -3.195 1.00 0.00 O ATOM 708 CB LEU A 48 7.530 0.966 -1.486 1.00 0.00 C ATOM 709 CG LEU A 48 7.623 -0.261 -2.398 1.00 0.00 C ATOM 710 CD1 LEU A 48 6.476 -1.220 -2.119 1.00 0.00 C ATOM 711 CD2 LEU A 48 7.629 0.156 -3.862 1.00 0.00 C ATOM 0 H LEU A 48 6.870 2.874 -0.035 1.00 0.00 H new ATOM 0 HA LEU A 48 6.826 2.447 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.514 1.432 -1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.276 0.632 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 48 8.561 -0.775 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.558 -2.086 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.520 -1.547 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.527 -0.715 -2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.696 -0.731 -4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.710 0.696 -4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.486 0.802 -4.053 1.00 0.00 H new ATOM 723 N ILE A 49 4.378 1.331 -1.008 1.00 0.00 N ATOM 724 CA ILE A 49 3.046 0.740 -1.040 1.00 0.00 C ATOM 725 C ILE A 49 1.979 1.766 -1.408 1.00 0.00 C ATOM 726 O ILE A 49 0.917 1.407 -1.916 1.00 0.00 O ATOM 727 CB ILE A 49 2.675 0.108 0.315 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.746 -0.893 0.750 1.00 0.00 C ATOM 729 CG2 ILE A 49 1.314 -0.569 0.229 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.710 -1.212 2.229 1.00 0.00 C ATOM 0 H ILE A 49 4.661 1.684 -0.094 1.00 0.00 H new ATOM 0 HA ILE A 49 3.077 -0.035 -1.806 1.00 0.00 H new ATOM 0 HB ILE A 49 2.621 0.899 1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.620 -1.816 0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.728 -0.495 0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.066 -1.011 1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.557 0.168 -0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.343 -1.350 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.497 -1.928 2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.866 -0.298 2.802 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.741 -1.640 2.485 1.00 0.00 H new ATOM 742 N TYR A 50 2.248 3.041 -1.133 1.00 0.00 N ATOM 743 CA TYR A 50 1.272 4.086 -1.419 1.00 0.00 C ATOM 744 C TYR A 50 0.869 4.062 -2.894 1.00 0.00 C ATOM 745 O TYR A 50 -0.204 4.543 -3.259 1.00 0.00 O ATOM 746 CB TYR A 50 1.793 5.477 -0.959 1.00 0.00 C ATOM 747 CG TYR A 50 1.951 6.519 -2.054 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.948 6.401 -3.015 1.00 0.00 C ATOM 749 CD2 TYR A 50 1.095 7.612 -2.129 1.00 0.00 C ATOM 750 CE1 TYR A 50 3.093 7.345 -4.013 1.00 0.00 C ATOM 751 CE2 TYR A 50 1.234 8.559 -3.125 1.00 0.00 C ATOM 752 CZ TYR A 50 2.233 8.421 -4.065 1.00 0.00 C ATOM 753 OH TYR A 50 2.374 9.363 -5.058 1.00 0.00 O ATOM 0 H TYR A 50 3.120 3.370 -0.719 1.00 0.00 H new ATOM 0 HA TYR A 50 0.368 3.888 -0.843 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.109 5.869 -0.206 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.759 5.340 -0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.621 5.557 -2.981 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.309 7.722 -1.397 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.876 7.241 -4.749 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.563 9.404 -3.167 1.00 0.00 H new ATOM 0 HH TYR A 50 1.765 9.153 -5.797 1.00 0.00 H new ATOM 763 N ASP A 51 1.710 3.464 -3.729 1.00 0.00 N ATOM 764 CA ASP A 51 1.402 3.338 -5.144 1.00 0.00 C ATOM 765 C ASP A 51 0.108 2.547 -5.348 1.00 0.00 C ATOM 766 O ASP A 51 -0.500 2.603 -6.415 1.00 0.00 O ATOM 767 CB ASP A 51 2.554 2.652 -5.880 1.00 0.00 C ATOM 768 CG ASP A 51 3.508 3.647 -6.513 1.00 0.00 C ATOM 769 OD1 ASP A 51 3.071 4.404 -7.405 1.00 0.00 O ATOM 770 OD2 ASP A 51 4.691 3.669 -6.116 1.00 0.00 O ATOM 0 H ASP A 51 2.605 3.061 -3.451 1.00 0.00 H new ATOM 0 HA ASP A 51 1.266 4.339 -5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.103 2.020 -5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.150 1.998 -6.653 1.00 0.00 H new ATOM 775 N PHE A 52 -0.309 1.811 -4.314 1.00 0.00 N ATOM 776 CA PHE A 52 -1.521 1.002 -4.390 1.00 0.00 C ATOM 777 C PHE A 52 -2.762 1.822 -4.047 1.00 0.00 C ATOM 778 O PHE A 52 -3.665 1.964 -4.871 1.00 0.00 O ATOM 779 CB PHE A 52 -1.413 -0.198 -3.448 1.00 0.00 C ATOM 780 CG PHE A 52 -2.559 -1.161 -3.567 1.00 0.00 C ATOM 781 CD1 PHE A 52 -2.742 -1.903 -4.723 1.00 0.00 C ATOM 782 CD2 PHE A 52 -3.454 -1.324 -2.522 1.00 0.00 C ATOM 783 CE1 PHE A 52 -3.796 -2.789 -4.835 1.00 0.00 C ATOM 784 CE2 PHE A 52 -4.510 -2.209 -2.628 1.00 0.00 C ATOM 785 CZ PHE A 52 -4.681 -2.943 -3.785 1.00 0.00 C ATOM 0 H PHE A 52 0.176 1.761 -3.418 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.622 0.649 -5.416 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.482 -0.727 -3.652 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.356 0.161 -2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.052 -1.787 -5.546 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.325 -0.753 -1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.928 -3.360 -5.742 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.201 -2.326 -1.806 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.505 -3.636 -3.869 1.00 0.00 H new ATOM 795 N ILE A 53 -2.816 2.348 -2.824 1.00 0.00 N ATOM 796 CA ILE A 53 -3.958 3.164 -2.408 1.00 0.00 C ATOM 797 C ILE A 53 -4.036 4.444 -3.241 1.00 0.00 C ATOM 798 O ILE A 53 -5.083 5.089 -3.303 1.00 0.00 O ATOM 799 CB ILE A 53 -3.996 3.471 -0.880 1.00 0.00 C ATOM 800 CG1 ILE A 53 -3.369 2.328 -0.080 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.438 3.689 -0.444 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.441 2.535 1.415 1.00 0.00 C ATOM 0 H ILE A 53 -2.095 2.227 -2.113 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.847 2.563 -2.599 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.417 4.374 -0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.873 1.396 -0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.325 2.217 -0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.467 3.904 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.862 4.529 -0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.020 2.790 -0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.979 1.688 1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.912 3.450 1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.484 2.616 1.721 1.00 0.00 H new ATOM 814 N GLU A 54 -2.932 4.792 -3.905 1.00 0.00 N ATOM 815 CA GLU A 54 -2.888 5.980 -4.750 1.00 0.00 C ATOM 816 C GLU A 54 -3.452 5.686 -6.138 1.00 0.00 C ATOM 817 O GLU A 54 -4.275 6.441 -6.658 1.00 0.00 O ATOM 818 CB GLU A 54 -1.449 6.488 -4.873 1.00 0.00 C ATOM 819 CG GLU A 54 -1.310 7.714 -5.761 1.00 0.00 C ATOM 820 CD GLU A 54 -0.429 7.462 -6.968 1.00 0.00 C ATOM 821 OE1 GLU A 54 -0.458 6.332 -7.498 1.00 0.00 O ATOM 822 OE2 GLU A 54 0.290 8.395 -7.384 1.00 0.00 O ATOM 0 H GLU A 54 -2.059 4.266 -3.872 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.503 6.749 -4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.070 6.725 -3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.823 5.689 -5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.298 8.029 -6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.894 8.536 -5.178 1.00 0.00 H new ATOM 829 N ASP A 55 -3.001 4.589 -6.735 1.00 0.00 N ATOM 830 CA ASP A 55 -3.445 4.201 -8.070 1.00 0.00 C ATOM 831 C ASP A 55 -4.910 3.775 -8.066 1.00 0.00 C ATOM 832 O ASP A 55 -5.653 4.069 -9.002 1.00 0.00 O ATOM 833 CB ASP A 55 -2.574 3.063 -8.605 1.00 0.00 C ATOM 834 CG ASP A 55 -1.388 3.567 -9.403 1.00 0.00 C ATOM 835 OD1 ASP A 55 -1.586 3.974 -10.567 1.00 0.00 O ATOM 836 OD2 ASP A 55 -0.262 3.556 -8.863 1.00 0.00 O ATOM 0 H ASP A 55 -2.326 3.950 -6.315 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.346 5.070 -8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.217 2.460 -7.770 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.180 2.410 -9.233 1.00 0.00 H new ATOM 841 N GLN A 56 -5.318 3.078 -7.011 1.00 0.00 N ATOM 842 CA GLN A 56 -6.693 2.605 -6.895 1.00 0.00 C ATOM 843 C GLN A 56 -7.686 3.759 -7.009 1.00 0.00 C ATOM 844 O GLN A 56 -8.861 3.548 -7.310 1.00 0.00 O ATOM 845 CB GLN A 56 -6.891 1.879 -5.563 1.00 0.00 C ATOM 846 CG GLN A 56 -6.367 0.451 -5.567 1.00 0.00 C ATOM 847 CD GLN A 56 -7.009 -0.404 -6.641 1.00 0.00 C ATOM 848 OE1 GLN A 56 -8.226 -0.379 -6.826 1.00 0.00 O ATOM 849 NE2 GLN A 56 -6.192 -1.169 -7.355 1.00 0.00 N ATOM 0 H GLN A 56 -4.718 2.828 -6.225 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.879 1.912 -7.715 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.389 2.440 -4.774 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -7.953 1.867 -5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.287 0.465 -5.716 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.548 -0.001 -4.592 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.189 -1.158 -7.168 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.567 -1.767 -8.091 1.00 0.00 H new ATOM 858 N GLY A 57 -7.210 4.977 -6.773 1.00 0.00 N ATOM 859 CA GLY A 57 -8.077 6.137 -6.854 1.00 0.00 C ATOM 860 C GLY A 57 -8.233 6.832 -5.518 1.00 0.00 C ATOM 861 O GLY A 57 -8.485 8.036 -5.460 1.00 0.00 O ATOM 0 H GLY A 57 -6.241 5.181 -6.528 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.672 6.840 -7.582 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.058 5.830 -7.218 1.00 0.00 H new ATOM 865 N GLY A 58 -8.078 6.073 -4.438 1.00 0.00 N ATOM 866 CA GLY A 58 -8.198 6.641 -3.110 1.00 0.00 C ATOM 867 C GLY A 58 -8.606 5.614 -2.072 1.00 0.00 C ATOM 868 O GLY A 58 -9.428 4.742 -2.339 1.00 0.00 O ATOM 0 H GLY A 58 -7.871 5.074 -4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.245 7.085 -2.821 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.933 7.446 -3.128 1.00 0.00 H new ATOM 872 N LEU A 59 -8.030 5.730 -0.885 1.00 0.00 N ATOM 873 CA LEU A 59 -8.317 4.816 0.214 1.00 0.00 C ATOM 874 C LEU A 59 -9.811 4.786 0.527 1.00 0.00 C ATOM 875 O LEU A 59 -10.441 3.729 0.500 1.00 0.00 O ATOM 876 CB LEU A 59 -7.521 5.288 1.431 1.00 0.00 C ATOM 877 CG LEU A 59 -8.109 4.975 2.809 1.00 0.00 C ATOM 878 CD1 LEU A 59 -6.999 4.814 3.835 1.00 0.00 C ATOM 879 CD2 LEU A 59 -9.068 6.078 3.226 1.00 0.00 C ATOM 0 H LEU A 59 -7.353 6.457 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.028 3.801 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.527 4.845 1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.393 6.368 1.354 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.660 4.036 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.434 4.592 4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.343 3.997 3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.424 5.738 3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.482 5.848 4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.534 7.027 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.877 6.151 2.499 1.00 0.00 H new ATOM 891 N GLU A 60 -10.380 5.959 0.791 1.00 0.00 N ATOM 892 CA GLU A 60 -11.809 6.067 1.040 1.00 0.00 C ATOM 893 C GLU A 60 -12.545 5.817 -0.261 1.00 0.00 C ATOM 894 O GLU A 60 -13.616 5.212 -0.292 1.00 0.00 O ATOM 895 CB GLU A 60 -12.160 7.449 1.593 1.00 0.00 C ATOM 896 CG GLU A 60 -11.948 8.574 0.593 1.00 0.00 C ATOM 897 CD GLU A 60 -11.922 9.941 1.248 1.00 0.00 C ATOM 898 OE1 GLU A 60 -11.008 10.193 2.059 1.00 0.00 O ATOM 899 OE2 GLU A 60 -12.818 10.758 0.949 1.00 0.00 O ATOM 0 H GLU A 60 -9.873 6.843 0.837 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.106 5.328 1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.202 7.450 1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.554 7.642 2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.009 8.412 0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.743 8.547 -0.152 1.00 0.00 H new ATOM 906 N ALA A 61 -11.909 6.247 -1.342 1.00 0.00 N ATOM 907 CA ALA A 61 -12.423 6.046 -2.678 1.00 0.00 C ATOM 908 C ALA A 61 -12.521 4.552 -2.999 1.00 0.00 C ATOM 909 O ALA A 61 -13.299 4.141 -3.860 1.00 0.00 O ATOM 910 CB ALA A 61 -11.509 6.762 -3.659 1.00 0.00 C ATOM 0 H ALA A 61 -11.020 6.746 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.429 6.458 -2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.882 6.621 -4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.487 7.826 -3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.502 6.353 -3.583 1.00 0.00 H new ATOM 916 N VAL A 62 -11.738 3.744 -2.281 1.00 0.00 N ATOM 917 CA VAL A 62 -11.739 2.294 -2.465 1.00 0.00 C ATOM 918 C VAL A 62 -12.877 1.650 -1.672 1.00 0.00 C ATOM 919 O VAL A 62 -13.622 0.824 -2.198 1.00 0.00 O ATOM 920 CB VAL A 62 -10.387 1.674 -2.030 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.448 0.149 -2.013 1.00 0.00 C ATOM 922 CG2 VAL A 62 -9.268 2.150 -2.943 1.00 0.00 C ATOM 0 H VAL A 62 -11.092 4.073 -1.563 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.887 2.098 -3.527 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.181 2.008 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.482 -0.250 -1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -11.217 -0.177 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.689 -0.217 -3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.325 1.706 -2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.483 1.850 -3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.193 3.236 -2.891 1.00 0.00 H new ATOM 932 N ARG A 63 -13.002 2.034 -0.403 1.00 0.00 N ATOM 933 CA ARG A 63 -14.043 1.490 0.465 1.00 0.00 C ATOM 934 C ARG A 63 -15.400 1.494 -0.233 1.00 0.00 C ATOM 935 O ARG A 63 -16.264 0.670 0.065 1.00 0.00 O ATOM 936 CB ARG A 63 -14.124 2.296 1.765 1.00 0.00 C ATOM 937 CG ARG A 63 -13.244 1.751 2.878 1.00 0.00 C ATOM 938 CD ARG A 63 -13.741 2.186 4.247 1.00 0.00 C ATOM 939 NE ARG A 63 -14.980 1.510 4.623 1.00 0.00 N ATOM 940 CZ ARG A 63 -15.672 1.796 5.719 1.00 0.00 C ATOM 941 NH1 ARG A 63 -15.249 2.743 6.546 1.00 0.00 N ATOM 942 NH2 ARG A 63 -16.789 1.136 5.993 1.00 0.00 N ATOM 0 H ARG A 63 -12.395 2.720 0.046 1.00 0.00 H new ATOM 0 HA ARG A 63 -13.780 0.458 0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.839 3.328 1.561 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -15.159 2.313 2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -13.224 0.662 2.827 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -12.220 2.096 2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.974 1.978 4.993 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.902 3.264 4.248 1.00 0.00 H new ATOM 0 HE ARG A 63 -15.333 0.777 4.009 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -14.390 3.253 6.340 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.783 2.961 7.388 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -17.118 0.406 5.361 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -17.319 1.358 6.836 1.00 0.00 H new ATOM 956 N GLN A 64 -15.575 2.419 -1.170 1.00 0.00 N ATOM 957 CA GLN A 64 -16.823 2.525 -1.915 1.00 0.00 C ATOM 958 C GLN A 64 -16.993 1.342 -2.863 1.00 0.00 C ATOM 959 O GLN A 64 -18.114 0.923 -3.152 1.00 0.00 O ATOM 960 CB GLN A 64 -16.857 3.834 -2.707 1.00 0.00 C ATOM 961 CG GLN A 64 -17.138 5.057 -1.850 1.00 0.00 C ATOM 962 CD GLN A 64 -16.798 6.355 -2.556 1.00 0.00 C ATOM 963 OE1 GLN A 64 -17.360 6.669 -3.605 1.00 0.00 O ATOM 964 NE2 GLN A 64 -15.874 7.117 -1.982 1.00 0.00 N ATOM 0 H GLN A 64 -14.868 3.106 -1.431 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.646 2.517 -1.200 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.901 3.967 -3.213 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.620 3.760 -3.482 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -18.191 5.065 -1.570 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -16.563 4.989 -0.926 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.434 6.817 -1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.604 8.002 -2.411 1.00 0.00 H new ATOM 973 N GLU A 65 -15.876 0.809 -3.343 1.00 0.00 N ATOM 974 CA GLU A 65 -15.901 -0.326 -4.260 1.00 0.00 C ATOM 975 C GLU A 65 -16.010 -1.642 -3.497 1.00 0.00 C ATOM 976 O GLU A 65 -16.864 -2.475 -3.796 1.00 0.00 O ATOM 977 CB GLU A 65 -14.644 -0.330 -5.131 1.00 0.00 C ATOM 978 CG GLU A 65 -14.645 -1.416 -6.195 1.00 0.00 C ATOM 979 CD GLU A 65 -14.219 -0.899 -7.555 1.00 0.00 C ATOM 980 OE1 GLU A 65 -13.136 -0.284 -7.644 1.00 0.00 O ATOM 981 OE2 GLU A 65 -14.968 -1.111 -8.532 1.00 0.00 O ATOM 0 H GLU A 65 -14.941 1.144 -3.113 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.778 -0.226 -4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -14.544 0.641 -5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.770 -0.459 -4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.975 -2.220 -5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -15.644 -1.845 -6.270 1.00 0.00 H new ATOM 988 N MET A 66 -15.135 -1.823 -2.512 1.00 0.00 N ATOM 989 CA MET A 66 -15.133 -3.039 -1.707 1.00 0.00 C ATOM 990 C MET A 66 -16.525 -3.334 -1.159 1.00 0.00 C ATOM 991 O MET A 66 -16.875 -4.489 -0.916 1.00 0.00 O ATOM 992 CB MET A 66 -14.136 -2.909 -0.554 1.00 0.00 C ATOM 993 CG MET A 66 -12.920 -3.810 -0.696 1.00 0.00 C ATOM 994 SD MET A 66 -12.654 -4.852 0.751 1.00 0.00 S ATOM 995 CE MET A 66 -10.874 -5.038 0.712 1.00 0.00 C ATOM 0 H MET A 66 -14.419 -1.144 -2.253 1.00 0.00 H new ATOM 0 HA MET A 66 -14.833 -3.868 -2.348 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.804 -1.873 -0.487 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.643 -3.142 0.382 1.00 0.00 H new ATOM 0 HG2 MET A 66 -13.042 -4.441 -1.576 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.035 -3.196 -0.864 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.516 -5.321 1.702 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.605 -5.813 -0.006 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.416 -4.094 0.416 1.00 0.00 H new ATOM 1181 N LEU A 81 -9.002 -6.983 -6.648 1.00 0.00 N ATOM 1182 CA LEU A 81 -8.584 -5.723 -6.045 1.00 0.00 C ATOM 1183 C LEU A 81 -7.329 -5.917 -5.199 1.00 0.00 C ATOM 1184 O LEU A 81 -6.413 -5.095 -5.231 1.00 0.00 O ATOM 1185 CB LEU A 81 -9.711 -5.150 -5.184 1.00 0.00 C ATOM 1186 CG LEU A 81 -9.395 -3.813 -4.513 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -9.005 -2.773 -5.551 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -10.587 -3.335 -3.697 1.00 0.00 C ATOM 0 HA LEU A 81 -8.355 -5.021 -6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.597 -5.026 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.963 -5.877 -4.412 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.550 -3.956 -3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.784 -1.828 -5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.123 -3.113 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.828 -2.631 -6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.347 -2.382 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.449 -3.208 -4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.820 -4.072 -2.928 1.00 0.00 H new ATOM 1200 N VAL A 82 -7.295 -7.011 -4.446 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.151 -7.318 -3.595 1.00 0.00 C ATOM 1202 C VAL A 82 -5.016 -7.932 -4.406 1.00 0.00 C ATOM 1203 O VAL A 82 -3.842 -7.762 -4.078 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.537 -8.284 -2.460 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -5.391 -8.428 -1.470 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -7.801 -7.810 -1.761 1.00 0.00 C ATOM 0 H VAL A 82 -8.046 -7.700 -4.408 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.817 -6.376 -3.160 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.737 -9.264 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.681 -9.114 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.513 -8.819 -1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.156 -7.454 -1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.058 -8.506 -0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.634 -6.819 -1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.619 -7.765 -2.480 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.374 -8.646 -5.469 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.375 -9.274 -6.312 1.00 0.00 C ATOM 1218 C GLY A 83 -3.369 -8.279 -6.857 1.00 0.00 C ATOM 1219 O GLY A 83 -2.176 -8.571 -6.934 1.00 0.00 O ATOM 0 H GLY A 83 -6.339 -8.800 -5.761 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.851 -10.040 -5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.869 -9.778 -7.142 1.00 0.00 H new ATOM 1223 N ALA A 84 -3.851 -7.100 -7.236 1.00 0.00 N ATOM 1224 CA ALA A 84 -2.984 -6.058 -7.773 1.00 0.00 C ATOM 1225 C ALA A 84 -1.885 -5.694 -6.781 1.00 0.00 C ATOM 1226 O ALA A 84 -0.716 -5.573 -7.149 1.00 0.00 O ATOM 1227 CB ALA A 84 -3.802 -4.826 -8.136 1.00 0.00 C ATOM 0 H ALA A 84 -4.836 -6.843 -7.181 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.509 -6.443 -8.675 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.142 -4.056 -8.536 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.546 -5.092 -8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.304 -4.447 -7.246 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.268 -5.520 -5.520 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.317 -5.165 -4.472 1.00 0.00 C ATOM 1235 C LEU A 85 -0.191 -6.193 -4.385 1.00 0.00 C ATOM 1236 O LEU A 85 0.979 -5.835 -4.244 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.038 -5.050 -3.123 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.132 -5.044 -1.886 1.00 0.00 C ATOM 1239 CD1 LEU A 85 0.093 -4.173 -2.121 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -1.900 -4.564 -0.664 1.00 0.00 C ATOM 0 H LEU A 85 -3.231 -5.619 -5.199 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.876 -4.200 -4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.628 -4.133 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.739 -5.880 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.796 -6.065 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.722 -4.183 -1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.658 -4.560 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.222 -3.151 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.241 -4.566 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.266 -3.552 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.744 -5.229 -0.480 1.00 0.00 H new ATOM 1252 N MET A 86 -0.550 -7.471 -4.471 1.00 0.00 N ATOM 1253 CA MET A 86 0.434 -8.546 -4.401 1.00 0.00 C ATOM 1254 C MET A 86 1.564 -8.315 -5.398 1.00 0.00 C ATOM 1255 O MET A 86 2.710 -8.691 -5.151 1.00 0.00 O ATOM 1256 CB MET A 86 -0.235 -9.894 -4.675 1.00 0.00 C ATOM 1257 CG MET A 86 -1.432 -10.172 -3.780 1.00 0.00 C ATOM 1258 SD MET A 86 -2.046 -11.859 -3.940 1.00 0.00 S ATOM 1259 CE MET A 86 -3.809 -11.598 -3.758 1.00 0.00 C ATOM 0 H MET A 86 -1.513 -7.787 -4.589 1.00 0.00 H new ATOM 0 HA MET A 86 0.857 -8.554 -3.396 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.555 -9.926 -5.716 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.500 -10.688 -4.543 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.154 -9.988 -2.742 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.233 -9.474 -4.024 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.164 -12.116 -2.867 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.011 -10.531 -3.661 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.327 -11.987 -4.635 1.00 0.00 H new ATOM 1269 N HIS A 87 1.234 -7.693 -6.524 1.00 0.00 N ATOM 1270 CA HIS A 87 2.218 -7.407 -7.560 1.00 0.00 C ATOM 1271 C HIS A 87 3.109 -6.231 -7.167 1.00 0.00 C ATOM 1272 O HIS A 87 4.206 -6.068 -7.700 1.00 0.00 O ATOM 1273 CB HIS A 87 1.517 -7.108 -8.886 1.00 0.00 C ATOM 1274 CG HIS A 87 0.990 -8.329 -9.575 1.00 0.00 C ATOM 1275 ND1 HIS A 87 0.840 -8.415 -10.943 1.00 0.00 N ATOM 1276 CD2 HIS A 87 0.577 -9.518 -9.077 1.00 0.00 C ATOM 1277 CE1 HIS A 87 0.358 -9.605 -11.258 1.00 0.00 C ATOM 1278 NE2 HIS A 87 0.190 -10.292 -10.143 1.00 0.00 N ATOM 0 H HIS A 87 0.289 -7.376 -6.743 1.00 0.00 H new ATOM 0 HA HIS A 87 2.848 -8.289 -7.676 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.692 -6.419 -8.704 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.216 -6.600 -9.550 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.556 -9.804 -8.036 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.139 -9.955 -12.256 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -0.170 -11.245 -10.083 1.00 0.00 H new ATOM 1287 N VAL A 88 2.628 -5.407 -6.239 1.00 0.00 N ATOM 1288 CA VAL A 88 3.380 -4.241 -5.789 1.00 0.00 C ATOM 1289 C VAL A 88 4.340 -4.594 -4.655 1.00 0.00 C ATOM 1290 O VAL A 88 5.285 -3.855 -4.381 1.00 0.00 O ATOM 1291 CB VAL A 88 2.443 -3.117 -5.312 1.00 0.00 C ATOM 1292 CG1 VAL A 88 3.239 -1.861 -4.990 1.00 0.00 C ATOM 1293 CG2 VAL A 88 1.375 -2.830 -6.357 1.00 0.00 C ATOM 0 H VAL A 88 1.722 -5.526 -5.785 1.00 0.00 H new ATOM 0 HA VAL A 88 3.953 -3.894 -6.649 1.00 0.00 H new ATOM 0 HB VAL A 88 1.944 -3.446 -4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.561 -1.076 -4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.960 -2.079 -4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.767 -1.526 -5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.723 -2.033 -6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.851 -2.521 -7.288 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.786 -3.730 -6.532 1.00 0.00 H new ATOM 1303 N MET A 89 4.076 -5.706 -3.976 1.00 0.00 N ATOM 1304 CA MET A 89 4.916 -6.139 -2.868 1.00 0.00 C ATOM 1305 C MET A 89 6.138 -6.891 -3.378 1.00 0.00 C ATOM 1306 O MET A 89 7.237 -6.748 -2.843 1.00 0.00 O ATOM 1307 CB MET A 89 4.117 -7.027 -1.911 1.00 0.00 C ATOM 1308 CG MET A 89 3.575 -6.284 -0.701 1.00 0.00 C ATOM 1309 SD MET A 89 4.855 -5.905 0.512 1.00 0.00 S ATOM 1310 CE MET A 89 4.766 -4.117 0.551 1.00 0.00 C ATOM 0 H MET A 89 3.288 -6.322 -4.174 1.00 0.00 H new ATOM 0 HA MET A 89 5.254 -5.253 -2.331 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.285 -7.476 -2.454 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.753 -7.844 -1.570 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.105 -5.357 -1.029 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.798 -6.885 -0.228 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.694 -3.715 0.959 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.620 -3.738 -0.460 1.00 0.00 H new ATOM 0 HE3 MET A 89 3.930 -3.808 1.179 1.00 0.00 H new ATOM 1320 N GLN A 90 5.942 -7.683 -4.426 1.00 0.00 N ATOM 1321 CA GLN A 90 7.030 -8.461 -5.004 1.00 0.00 C ATOM 1322 C GLN A 90 8.230 -7.570 -5.313 1.00 0.00 C ATOM 1323 O GLN A 90 9.380 -7.988 -5.171 1.00 0.00 O ATOM 1324 CB GLN A 90 6.578 -9.182 -6.273 1.00 0.00 C ATOM 1325 CG GLN A 90 5.565 -8.397 -7.074 1.00 0.00 C ATOM 1326 CD GLN A 90 5.488 -8.837 -8.522 1.00 0.00 C ATOM 1327 OE1 GLN A 90 4.641 -9.650 -8.892 1.00 0.00 O ATOM 1328 NE2 GLN A 90 6.377 -8.301 -9.351 1.00 0.00 N ATOM 0 H GLN A 90 5.042 -7.803 -4.891 1.00 0.00 H new ATOM 0 HA GLN A 90 7.326 -9.208 -4.268 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.448 -9.384 -6.898 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.149 -10.147 -6.002 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.583 -8.506 -6.614 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.820 -7.338 -7.035 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.061 -7.631 -9.001 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.375 -8.560 -10.338 1.00 0.00 H new ATOM 1337 N LYS A 91 7.951 -6.340 -5.731 1.00 0.00 N ATOM 1338 CA LYS A 91 9.003 -5.386 -6.063 1.00 0.00 C ATOM 1339 C LYS A 91 9.981 -5.222 -4.903 1.00 0.00 C ATOM 1340 O LYS A 91 11.145 -5.611 -5.001 1.00 0.00 O ATOM 1341 CB LYS A 91 8.391 -4.031 -6.422 1.00 0.00 C ATOM 1342 CG LYS A 91 9.121 -3.310 -7.543 1.00 0.00 C ATOM 1343 CD LYS A 91 8.548 -3.672 -8.903 1.00 0.00 C ATOM 1344 CE LYS A 91 8.140 -2.434 -9.685 1.00 0.00 C ATOM 1345 NZ LYS A 91 6.712 -2.485 -10.104 1.00 0.00 N ATOM 0 H LYS A 91 7.004 -5.980 -5.848 1.00 0.00 H new ATOM 0 HA LYS A 91 9.551 -5.773 -6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.351 -4.177 -6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.388 -3.397 -5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.049 -2.233 -7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.180 -3.566 -7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.288 -4.235 -9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.683 -4.322 -8.773 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.307 -1.547 -9.073 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.773 -2.337 -10.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.475 -1.622 -10.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.557 -3.317 -10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.105 -2.552 -9.262 1.00 0.00 H new ATOM 1359 N ARG A 92 9.499 -4.648 -3.806 1.00 0.00 N ATOM 1360 CA ARG A 92 10.329 -4.430 -2.625 1.00 0.00 C ATOM 1361 C ARG A 92 11.096 -5.693 -2.250 1.00 0.00 C ATOM 1362 O ARG A 92 12.290 -5.644 -1.954 1.00 0.00 O ATOM 1363 CB ARG A 92 9.462 -3.982 -1.448 1.00 0.00 C ATOM 1364 CG ARG A 92 10.072 -2.851 -0.639 1.00 0.00 C ATOM 1365 CD ARG A 92 11.340 -3.295 0.072 1.00 0.00 C ATOM 1366 NE ARG A 92 12.346 -2.236 0.106 1.00 0.00 N ATOM 1367 CZ ARG A 92 12.279 -1.184 0.917 1.00 0.00 C ATOM 1368 NH1 ARG A 92 11.261 -1.054 1.756 1.00 0.00 N ATOM 1369 NH2 ARG A 92 13.232 -0.263 0.889 1.00 0.00 N ATOM 0 H ARG A 92 8.536 -4.325 -3.709 1.00 0.00 H new ATOM 0 HA ARG A 92 11.051 -3.648 -2.861 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.489 -3.665 -1.824 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.287 -4.834 -0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.298 -2.012 -1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.348 -2.495 0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.098 -3.598 1.091 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.751 -4.170 -0.432 1.00 0.00 H new ATOM 0 HE ARG A 92 13.143 -2.307 -0.527 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.527 -1.762 1.781 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.212 -0.246 2.377 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.017 -0.361 0.245 1.00 0.00 H new ATOM 0 HH22 ARG A 92 13.180 0.544 1.511 1.00 0.00 H new ATOM 1383 N SER A 93 10.401 -6.827 -2.269 1.00 0.00 N ATOM 1384 CA SER A 93 11.010 -8.108 -1.925 1.00 0.00 C ATOM 1385 C SER A 93 12.350 -8.293 -2.632 1.00 0.00 C ATOM 1386 O SER A 93 13.256 -8.940 -2.107 1.00 0.00 O ATOM 1387 CB SER A 93 10.068 -9.258 -2.292 1.00 0.00 C ATOM 1388 OG SER A 93 10.020 -10.227 -1.260 1.00 0.00 O ATOM 0 H SER A 93 9.414 -6.885 -2.519 1.00 0.00 H new ATOM 0 HA SER A 93 11.187 -8.114 -0.849 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.067 -8.868 -2.475 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.403 -9.725 -3.218 1.00 0.00 H new ATOM 0 HG SER A 93 9.410 -10.950 -1.518 1.00 0.00 H new