USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 542 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 CYS SG : rot -110:sc= -1.01 USER MOD Set 1.2: A 88 LYS NZ :NH3+ -174:sc= -1.12 (180deg=-1.26) USER MOD Single : A 34 GLN : amide:sc= -0.706 K(o=-0.71,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 83:sc= 1.09 USER MOD Single : A 44 CYS SG : rot 151:sc= -0.865 USER MOD Single : A 46 SER OG : rot 69:sc= 1.28 USER MOD Single : A 47 THR OG1 : rot -52:sc= 1.05 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.267 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= -0.757 X(o=-0.76,f=-1) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 78 CYS SG : rot 77:sc= 1.02 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -0.0171 K(o=-0.017,f=-0.75) USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= -0.0599 (180deg=-0.365) USER MOD Single : A 93 LYS NZ :NH3+ -124:sc= -0.46 (180deg=-0.663) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 98 LYS NZ :NH3+ -169:sc= -0.0273 (180deg=-0.175) USER MOD Single : A 99 MET CE :methyl -178:sc= 0 (180deg=-0.0109) USER MOD ----------------------------------------------------------------- ATOM 142 N GLN A 34 -7.008 -6.335 8.718 1.00 0.00 N ATOM 143 CA GLN A 34 -6.653 -7.695 9.111 1.00 0.00 C ATOM 144 C GLN A 34 -5.652 -8.305 8.135 1.00 0.00 C ATOM 145 O GLN A 34 -5.392 -9.508 8.169 1.00 0.00 O ATOM 146 CB GLN A 34 -7.904 -8.572 9.190 1.00 0.00 C ATOM 147 CG GLN A 34 -8.966 -8.037 10.136 1.00 0.00 C ATOM 148 CD GLN A 34 -10.072 -9.041 10.401 1.00 0.00 C ATOM 149 OE1 GLN A 34 -10.681 -9.043 11.471 1.00 0.00 O ATOM 150 NE2 GLN A 34 -10.338 -9.904 9.425 1.00 0.00 N ATOM 0 HA GLN A 34 -6.188 -7.648 10.096 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.333 -8.668 8.193 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.616 -9.573 9.510 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.499 -7.759 11.081 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.398 -7.129 9.715 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.809 -9.867 8.554 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.071 -10.603 9.548 1.00 0.00 H new ATOM 159 N TRP A 35 -5.091 -7.469 7.268 1.00 0.00 N ATOM 160 CA TRP A 35 -4.116 -7.927 6.284 1.00 0.00 C ATOM 161 C TRP A 35 -2.758 -8.177 6.932 1.00 0.00 C ATOM 162 O TRP A 35 -2.505 -7.745 8.057 1.00 0.00 O ATOM 163 CB TRP A 35 -3.969 -6.899 5.158 1.00 0.00 C ATOM 164 CG TRP A 35 -5.031 -6.992 4.102 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.086 -7.859 4.060 1.00 0.00 C ATOM 166 CD2 TRP A 35 -5.131 -6.182 2.925 1.00 0.00 C ATOM 167 NE1 TRP A 35 -6.835 -7.637 2.930 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.269 -6.612 2.217 1.00 0.00 C ATOM 169 CE3 TRP A 35 -4.368 -5.133 2.403 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.660 -6.029 1.013 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.758 -4.555 1.210 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.894 -5.005 0.526 1.00 0.00 C ATOM 0 H TRP A 35 -5.295 -6.470 7.226 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.480 -8.866 5.867 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.987 -5.898 5.589 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.993 -7.026 4.689 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.300 -8.610 4.806 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.675 -8.151 2.665 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.489 -4.781 2.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.536 -6.373 0.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -4.177 -3.743 0.798 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -6.171 -4.534 -0.405 1.00 0.00 H new ATOM 183 N SER A 36 -1.889 -8.877 6.210 1.00 0.00 N ATOM 184 CA SER A 36 -0.552 -9.187 6.704 1.00 0.00 C ATOM 185 C SER A 36 0.509 -8.687 5.731 1.00 0.00 C ATOM 186 O SER A 36 0.188 -8.094 4.702 1.00 0.00 O ATOM 187 CB SER A 36 -0.400 -10.694 6.917 1.00 0.00 C ATOM 188 OG SER A 36 -1.332 -11.171 7.871 1.00 0.00 O ATOM 0 H SER A 36 -2.088 -9.241 5.278 1.00 0.00 H new ATOM 0 HA SER A 36 -0.414 -8.680 7.659 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.545 -11.215 5.970 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.613 -10.917 7.251 1.00 0.00 H new ATOM 0 HG SER A 36 -1.215 -12.137 7.988 1.00 0.00 H new ATOM 194 N VAL A 37 1.774 -8.933 6.059 1.00 0.00 N ATOM 195 CA VAL A 37 2.883 -8.503 5.214 1.00 0.00 C ATOM 196 C VAL A 37 2.730 -9.020 3.786 1.00 0.00 C ATOM 197 O VAL A 37 2.807 -8.253 2.829 1.00 0.00 O ATOM 198 CB VAL A 37 4.236 -8.979 5.779 1.00 0.00 C ATOM 199 CG1 VAL A 37 5.376 -8.591 4.849 1.00 0.00 C ATOM 200 CG2 VAL A 37 4.463 -8.411 7.170 1.00 0.00 C ATOM 0 H VAL A 37 2.057 -9.428 6.905 1.00 0.00 H new ATOM 0 HA VAL A 37 2.863 -7.413 5.202 1.00 0.00 H new ATOM 0 HB VAL A 37 4.212 -10.066 5.851 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.321 -8.937 5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.222 -9.051 3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.403 -7.507 4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.423 -8.758 7.552 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.463 -7.322 7.123 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.666 -8.745 7.834 1.00 0.00 H new ATOM 210 N ASP A 38 2.511 -10.324 3.654 1.00 0.00 N ATOM 211 CA ASP A 38 2.358 -10.949 2.343 1.00 0.00 C ATOM 212 C ASP A 38 1.203 -10.327 1.556 1.00 0.00 C ATOM 213 O ASP A 38 1.266 -10.213 0.332 1.00 0.00 O ATOM 214 CB ASP A 38 2.127 -12.453 2.503 1.00 0.00 C ATOM 215 CG ASP A 38 2.124 -13.186 1.175 1.00 0.00 C ATOM 216 OD1 ASP A 38 1.054 -13.249 0.534 1.00 0.00 O ATOM 217 OD2 ASP A 38 3.191 -13.700 0.777 1.00 0.00 O ATOM 0 H ASP A 38 2.435 -10.970 4.439 1.00 0.00 H new ATOM 0 HA ASP A 38 3.278 -10.779 1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.905 -12.870 3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.175 -12.619 3.008 1.00 0.00 H new ATOM 222 N ASP A 39 0.155 -9.921 2.266 1.00 0.00 N ATOM 223 CA ASP A 39 -1.015 -9.321 1.632 1.00 0.00 C ATOM 224 C ASP A 39 -0.718 -7.912 1.123 1.00 0.00 C ATOM 225 O ASP A 39 -1.033 -7.579 -0.020 1.00 0.00 O ATOM 226 CB ASP A 39 -2.186 -9.284 2.615 1.00 0.00 C ATOM 227 CG ASP A 39 -2.644 -10.671 3.019 1.00 0.00 C ATOM 228 OD1 ASP A 39 -2.085 -11.222 3.990 1.00 0.00 O ATOM 229 OD2 ASP A 39 -3.565 -11.206 2.366 1.00 0.00 O ATOM 0 H ASP A 39 0.092 -9.996 3.281 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.281 -9.939 0.774 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.892 -8.727 3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.019 -8.746 2.163 1.00 0.00 H new ATOM 234 N VAL A 40 -0.112 -7.091 1.974 1.00 0.00 N ATOM 235 CA VAL A 40 0.212 -5.715 1.610 1.00 0.00 C ATOM 236 C VAL A 40 1.186 -5.658 0.433 1.00 0.00 C ATOM 237 O VAL A 40 1.012 -4.857 -0.483 1.00 0.00 O ATOM 238 CB VAL A 40 0.818 -4.946 2.803 1.00 0.00 C ATOM 239 CG1 VAL A 40 1.130 -3.508 2.411 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.125 -4.986 3.997 1.00 0.00 C ATOM 0 H VAL A 40 0.165 -7.353 2.920 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.726 -5.243 1.317 1.00 0.00 H new ATOM 0 HB VAL A 40 1.752 -5.431 3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.556 -2.982 3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.844 -3.502 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.213 -3.009 2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.318 -4.439 4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.075 -4.526 3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.294 -6.021 4.293 1.00 0.00 H new ATOM 250 N ILE A 41 2.206 -6.509 0.466 1.00 0.00 N ATOM 251 CA ILE A 41 3.209 -6.546 -0.596 1.00 0.00 C ATOM 252 C ILE A 41 2.585 -6.878 -1.949 1.00 0.00 C ATOM 253 O ILE A 41 2.731 -6.121 -2.909 1.00 0.00 O ATOM 254 CB ILE A 41 4.314 -7.578 -0.286 1.00 0.00 C ATOM 255 CG1 ILE A 41 5.069 -7.181 0.985 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.275 -7.702 -1.462 1.00 0.00 C ATOM 257 CD1 ILE A 41 6.039 -8.237 1.465 1.00 0.00 C ATOM 0 H ILE A 41 2.361 -7.183 1.216 1.00 0.00 H new ATOM 0 HA ILE A 41 3.648 -5.549 -0.644 1.00 0.00 H new ATOM 0 HB ILE A 41 3.846 -8.549 -0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.614 -6.255 0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.349 -6.974 1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.047 -8.434 -1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.727 -8.026 -2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.739 -6.735 -1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.538 -7.888 2.369 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.497 -9.157 1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.782 -8.428 0.691 1.00 0.00 H new ATOM 269 N THR A 42 1.896 -8.013 -2.016 1.00 0.00 N ATOM 270 CA THR A 42 1.261 -8.456 -3.254 1.00 0.00 C ATOM 271 C THR A 42 0.399 -7.358 -3.876 1.00 0.00 C ATOM 272 O THR A 42 0.677 -6.899 -4.984 1.00 0.00 O ATOM 273 CB THR A 42 0.391 -9.706 -3.018 1.00 0.00 C ATOM 274 OG1 THR A 42 1.177 -10.743 -2.417 1.00 0.00 O ATOM 275 CG2 THR A 42 -0.204 -10.213 -4.325 1.00 0.00 C ATOM 0 H THR A 42 1.763 -8.644 -1.226 1.00 0.00 H new ATOM 0 HA THR A 42 2.068 -8.701 -3.945 1.00 0.00 H new ATOM 0 HB THR A 42 -0.424 -9.429 -2.350 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.221 -10.601 -1.448 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.813 -11.095 -4.129 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.825 -9.434 -4.768 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.600 -10.472 -5.014 1.00 0.00 H new ATOM 283 N TRP A 43 -0.644 -6.943 -3.162 1.00 0.00 N ATOM 284 CA TRP A 43 -1.545 -5.904 -3.658 1.00 0.00 C ATOM 285 C TRP A 43 -0.779 -4.648 -4.061 1.00 0.00 C ATOM 286 O TRP A 43 -1.051 -4.056 -5.105 1.00 0.00 O ATOM 287 CB TRP A 43 -2.594 -5.550 -2.602 1.00 0.00 C ATOM 288 CG TRP A 43 -3.405 -4.341 -2.962 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.477 -4.292 -3.805 1.00 0.00 C ATOM 290 CD2 TRP A 43 -3.199 -3.003 -2.497 1.00 0.00 C ATOM 291 NE1 TRP A 43 -4.952 -3.005 -3.891 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.184 -2.196 -3.096 1.00 0.00 C ATOM 293 CE3 TRP A 43 -2.278 -2.410 -1.629 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.272 -0.826 -2.857 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.366 -1.050 -1.392 1.00 0.00 C ATOM 296 CH2 TRP A 43 -3.357 -0.272 -2.003 1.00 0.00 C ATOM 0 H TRP A 43 -0.887 -7.308 -2.241 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.045 -6.301 -4.541 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.262 -6.400 -2.462 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.096 -5.376 -1.648 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.892 -5.141 -4.328 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.746 -2.702 -4.455 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.512 -3.003 -1.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.034 -0.223 -3.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.659 -0.580 -0.725 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.400 0.787 -1.796 1.00 0.00 H new ATOM 307 N CYS A 44 0.171 -4.240 -3.226 1.00 0.00 N ATOM 308 CA CYS A 44 0.966 -3.048 -3.500 1.00 0.00 C ATOM 309 C CYS A 44 1.604 -3.124 -4.882 1.00 0.00 C ATOM 310 O CYS A 44 1.240 -2.373 -5.782 1.00 0.00 O ATOM 311 CB CYS A 44 2.051 -2.872 -2.437 1.00 0.00 C ATOM 312 SG CYS A 44 3.003 -1.343 -2.600 1.00 0.00 S ATOM 0 H CYS A 44 0.409 -4.716 -2.356 1.00 0.00 H new ATOM 0 HA CYS A 44 0.298 -2.187 -3.473 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.586 -2.895 -1.451 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.734 -3.720 -2.487 1.00 0.00 H new ATOM 0 HG CYS A 44 3.421 -0.965 -1.428 1.00 0.00 H new ATOM 318 N ILE A 45 2.549 -4.046 -5.039 1.00 0.00 N ATOM 319 CA ILE A 45 3.257 -4.232 -6.303 1.00 0.00 C ATOM 320 C ILE A 45 2.297 -4.406 -7.481 1.00 0.00 C ATOM 321 O ILE A 45 2.619 -4.038 -8.611 1.00 0.00 O ATOM 322 CB ILE A 45 4.190 -5.458 -6.230 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.176 -5.302 -5.072 1.00 0.00 C ATOM 324 CG2 ILE A 45 4.934 -5.642 -7.544 1.00 0.00 C ATOM 325 CD1 ILE A 45 5.938 -6.571 -4.751 1.00 0.00 C ATOM 0 H ILE A 45 2.845 -4.682 -4.299 1.00 0.00 H new ATOM 0 HA ILE A 45 3.844 -3.328 -6.468 1.00 0.00 H new ATOM 0 HB ILE A 45 3.584 -6.347 -6.054 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.887 -4.512 -5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.633 -4.980 -4.184 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.587 -6.512 -7.474 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.216 -5.792 -8.351 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.532 -4.755 -7.751 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.619 -6.386 -3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.235 -7.358 -4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.509 -6.883 -5.625 1.00 0.00 H new ATOM 337 N SER A 46 1.121 -4.963 -7.213 1.00 0.00 N ATOM 338 CA SER A 46 0.127 -5.196 -8.259 1.00 0.00 C ATOM 339 C SER A 46 -0.270 -3.900 -8.968 1.00 0.00 C ATOM 340 O SER A 46 -0.907 -3.937 -10.021 1.00 0.00 O ATOM 341 CB SER A 46 -1.117 -5.866 -7.672 1.00 0.00 C ATOM 342 OG SER A 46 -0.808 -7.144 -7.147 1.00 0.00 O ATOM 0 H SER A 46 0.831 -5.262 -6.282 1.00 0.00 H new ATOM 0 HA SER A 46 0.583 -5.856 -8.997 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.535 -5.238 -6.886 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.881 -5.961 -8.444 1.00 0.00 H new ATOM 0 HG SER A 46 -0.255 -7.043 -6.345 1.00 0.00 H new ATOM 348 N THR A 47 0.103 -2.760 -8.394 1.00 0.00 N ATOM 349 CA THR A 47 -0.232 -1.468 -8.989 1.00 0.00 C ATOM 350 C THR A 47 0.667 -0.344 -8.475 1.00 0.00 C ATOM 351 O THR A 47 0.453 0.824 -8.800 1.00 0.00 O ATOM 352 CB THR A 47 -1.702 -1.096 -8.710 1.00 0.00 C ATOM 353 OG1 THR A 47 -1.999 0.192 -9.260 1.00 0.00 O ATOM 354 CG2 THR A 47 -1.988 -1.093 -7.213 1.00 0.00 C ATOM 0 H THR A 47 0.633 -2.703 -7.524 1.00 0.00 H new ATOM 0 HA THR A 47 -0.074 -1.576 -10.062 1.00 0.00 H new ATOM 0 HB THR A 47 -2.336 -1.846 -9.184 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.338 0.843 -8.945 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.031 -0.828 -7.042 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.794 -2.084 -6.804 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.343 -0.365 -6.721 1.00 0.00 H new ATOM 362 N LEU A 48 1.683 -0.693 -7.690 1.00 0.00 N ATOM 363 CA LEU A 48 2.588 0.309 -7.132 1.00 0.00 C ATOM 364 C LEU A 48 3.477 0.910 -8.218 1.00 0.00 C ATOM 365 O LEU A 48 3.325 2.077 -8.578 1.00 0.00 O ATOM 366 CB LEU A 48 3.451 -0.321 -6.027 1.00 0.00 C ATOM 367 CG LEU A 48 4.192 0.656 -5.100 1.00 0.00 C ATOM 368 CD1 LEU A 48 5.307 1.381 -5.839 1.00 0.00 C ATOM 369 CD2 LEU A 48 3.226 1.657 -4.481 1.00 0.00 C ATOM 0 H LEU A 48 1.900 -1.654 -7.427 1.00 0.00 H new ATOM 0 HA LEU A 48 1.988 1.112 -6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.811 -0.956 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.188 -0.971 -6.498 1.00 0.00 H new ATOM 0 HG LEU A 48 4.643 0.071 -4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.812 2.064 -5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.024 0.654 -6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.885 1.945 -6.671 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.775 2.337 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.737 2.227 -5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.474 1.125 -3.899 1.00 0.00 H new ATOM 381 N GLU A 49 4.404 0.109 -8.736 1.00 0.00 N ATOM 382 CA GLU A 49 5.315 0.577 -9.774 1.00 0.00 C ATOM 383 C GLU A 49 5.582 -0.509 -10.809 1.00 0.00 C ATOM 384 O GLU A 49 5.201 -0.385 -11.973 1.00 0.00 O ATOM 385 CB GLU A 49 6.634 1.038 -9.153 1.00 0.00 C ATOM 386 CG GLU A 49 7.611 1.622 -10.162 1.00 0.00 C ATOM 387 CD GLU A 49 7.082 2.880 -10.823 1.00 0.00 C ATOM 388 OE1 GLU A 49 7.306 3.978 -10.274 1.00 0.00 O ATOM 389 OE2 GLU A 49 6.442 2.765 -11.891 1.00 0.00 O ATOM 0 H GLU A 49 4.543 -0.862 -8.455 1.00 0.00 H new ATOM 0 HA GLU A 49 4.840 1.419 -10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.424 1.786 -8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.105 0.193 -8.651 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.553 1.847 -9.662 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.826 0.877 -10.927 1.00 0.00 H new ATOM 396 N VAL A 50 6.243 -1.575 -10.369 1.00 0.00 N ATOM 397 CA VAL A 50 6.587 -2.684 -11.250 1.00 0.00 C ATOM 398 C VAL A 50 5.832 -3.952 -10.861 1.00 0.00 C ATOM 399 O VAL A 50 4.849 -3.899 -10.122 1.00 0.00 O ATOM 400 CB VAL A 50 8.102 -2.966 -11.210 1.00 0.00 C ATOM 401 CG1 VAL A 50 8.885 -1.735 -11.642 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.526 -3.411 -9.818 1.00 0.00 C ATOM 0 H VAL A 50 6.552 -1.694 -9.404 1.00 0.00 H new ATOM 0 HA VAL A 50 6.299 -2.395 -12.261 1.00 0.00 H new ATOM 0 HB VAL A 50 8.321 -3.774 -11.908 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.953 -1.952 -11.608 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.603 -1.463 -12.659 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.661 -0.907 -10.969 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.598 -3.606 -9.809 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.294 -2.626 -9.098 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.990 -4.321 -9.548 1.00 0.00 H new ATOM 412 N GLU A 51 6.300 -5.089 -11.367 1.00 0.00 N ATOM 413 CA GLU A 51 5.679 -6.375 -11.070 1.00 0.00 C ATOM 414 C GLU A 51 6.461 -7.099 -9.980 1.00 0.00 C ATOM 415 O GLU A 51 7.366 -6.523 -9.374 1.00 0.00 O ATOM 416 CB GLU A 51 5.619 -7.240 -12.329 1.00 0.00 C ATOM 417 CG GLU A 51 6.974 -7.460 -12.979 1.00 0.00 C ATOM 418 CD GLU A 51 6.929 -8.495 -14.085 1.00 0.00 C ATOM 419 OE1 GLU A 51 7.097 -9.695 -13.782 1.00 0.00 O ATOM 420 OE2 GLU A 51 6.722 -8.107 -15.254 1.00 0.00 O ATOM 0 H GLU A 51 7.109 -5.146 -11.986 1.00 0.00 H new ATOM 0 HA GLU A 51 4.663 -6.195 -10.718 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.186 -8.207 -12.075 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.951 -6.771 -13.051 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.336 -6.515 -13.385 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.690 -7.776 -12.220 1.00 0.00 H new ATOM 427 N GLU A 52 6.113 -8.358 -9.726 1.00 0.00 N ATOM 428 CA GLU A 52 6.803 -9.130 -8.702 1.00 0.00 C ATOM 429 C GLU A 52 8.130 -9.666 -9.231 1.00 0.00 C ATOM 430 O GLU A 52 8.270 -10.858 -9.510 1.00 0.00 O ATOM 431 CB GLU A 52 5.918 -10.285 -8.222 1.00 0.00 C ATOM 432 CG GLU A 52 4.603 -9.831 -7.610 1.00 0.00 C ATOM 433 CD GLU A 52 3.746 -10.990 -7.139 1.00 0.00 C ATOM 434 OE1 GLU A 52 2.972 -11.529 -7.958 1.00 0.00 O ATOM 435 OE2 GLU A 52 3.847 -11.357 -5.949 1.00 0.00 O ATOM 0 H GLU A 52 5.367 -8.858 -10.209 1.00 0.00 H new ATOM 0 HA GLU A 52 7.011 -8.472 -7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.709 -10.945 -9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.468 -10.872 -7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.808 -9.170 -6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.047 -9.248 -8.344 1.00 0.00 H new ATOM 442 N THR A 53 9.097 -8.766 -9.375 1.00 0.00 N ATOM 443 CA THR A 53 10.426 -9.123 -9.854 1.00 0.00 C ATOM 444 C THR A 53 11.493 -8.307 -9.137 1.00 0.00 C ATOM 445 O THR A 53 12.572 -8.806 -8.817 1.00 0.00 O ATOM 446 CB THR A 53 10.556 -8.917 -11.369 1.00 0.00 C ATOM 447 OG1 THR A 53 11.896 -9.195 -11.795 1.00 0.00 O ATOM 448 CG2 THR A 53 10.186 -7.501 -11.729 1.00 0.00 C ATOM 0 H THR A 53 8.982 -7.775 -9.164 1.00 0.00 H new ATOM 0 HA THR A 53 10.572 -10.181 -9.637 1.00 0.00 H new ATOM 0 HB THR A 53 9.877 -9.603 -11.876 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.966 -9.062 -12.763 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.281 -7.363 -12.806 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.157 -7.306 -11.427 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.852 -6.809 -11.214 1.00 0.00 H new ATOM 456 N ASP A 54 11.172 -7.039 -8.891 1.00 0.00 N ATOM 457 CA ASP A 54 12.081 -6.119 -8.220 1.00 0.00 C ATOM 458 C ASP A 54 12.120 -6.392 -6.715 1.00 0.00 C ATOM 459 O ASP A 54 11.105 -6.757 -6.120 1.00 0.00 O ATOM 460 CB ASP A 54 11.636 -4.677 -8.486 1.00 0.00 C ATOM 461 CG ASP A 54 12.550 -3.649 -7.847 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.567 -3.288 -8.475 1.00 0.00 O ATOM 463 OD2 ASP A 54 12.247 -3.203 -6.720 1.00 0.00 O ATOM 0 H ASP A 54 10.277 -6.624 -9.151 1.00 0.00 H new ATOM 0 HA ASP A 54 13.086 -6.267 -8.615 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.601 -4.506 -9.562 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.623 -4.539 -8.108 1.00 0.00 H new ATOM 468 N PRO A 55 13.298 -6.221 -6.076 1.00 0.00 N ATOM 469 CA PRO A 55 13.461 -6.447 -4.631 1.00 0.00 C ATOM 470 C PRO A 55 12.535 -5.578 -3.779 1.00 0.00 C ATOM 471 O PRO A 55 12.569 -5.650 -2.550 1.00 0.00 O ATOM 472 CB PRO A 55 14.924 -6.077 -4.367 1.00 0.00 C ATOM 473 CG PRO A 55 15.596 -6.204 -5.689 1.00 0.00 C ATOM 474 CD PRO A 55 14.567 -5.813 -6.709 1.00 0.00 C ATOM 0 HA PRO A 55 13.207 -7.472 -4.362 1.00 0.00 H new ATOM 0 HB2 PRO A 55 15.011 -5.063 -3.976 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.373 -6.743 -3.630 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.470 -5.556 -5.747 1.00 0.00 H new ATOM 0 HG3 PRO A 55 15.943 -7.224 -5.855 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.589 -4.743 -6.915 1.00 0.00 H new ATOM 0 HD3 PRO A 55 14.726 -6.323 -7.659 1.00 0.00 H new ATOM 482 N LEU A 56 11.723 -4.751 -4.434 1.00 0.00 N ATOM 483 CA LEU A 56 10.789 -3.873 -3.734 1.00 0.00 C ATOM 484 C LEU A 56 9.979 -4.644 -2.692 1.00 0.00 C ATOM 485 O LEU A 56 9.575 -4.086 -1.670 1.00 0.00 O ATOM 486 CB LEU A 56 9.846 -3.199 -4.736 1.00 0.00 C ATOM 487 CG LEU A 56 8.762 -2.310 -4.119 1.00 0.00 C ATOM 488 CD1 LEU A 56 9.383 -1.115 -3.411 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.784 -1.849 -5.190 1.00 0.00 C ATOM 0 H LEU A 56 11.693 -4.671 -5.450 1.00 0.00 H new ATOM 0 HA LEU A 56 11.369 -3.109 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.442 -2.595 -5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.362 -3.973 -5.332 1.00 0.00 H new ATOM 0 HG LEU A 56 8.216 -2.896 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.595 -0.497 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.044 -1.465 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.956 -0.525 -4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.019 -1.218 -4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.319 -1.281 -5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.312 -2.717 -5.650 1.00 0.00 H new ATOM 501 N CYS A 57 9.747 -5.928 -2.954 1.00 0.00 N ATOM 502 CA CYS A 57 8.988 -6.770 -2.036 1.00 0.00 C ATOM 503 C CYS A 57 9.815 -7.102 -0.800 1.00 0.00 C ATOM 504 O CYS A 57 9.291 -7.163 0.312 1.00 0.00 O ATOM 505 CB CYS A 57 8.550 -8.060 -2.734 1.00 0.00 C ATOM 506 SG CYS A 57 9.920 -9.088 -3.315 1.00 0.00 S ATOM 0 H CYS A 57 10.074 -6.407 -3.793 1.00 0.00 H new ATOM 0 HA CYS A 57 8.101 -6.218 -1.723 1.00 0.00 H new ATOM 0 HB2 CYS A 57 7.939 -8.643 -2.045 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.917 -7.804 -3.583 1.00 0.00 H new ATOM 0 HG CYS A 57 9.449 -10.155 -3.888 1.00 0.00 H new ATOM 512 N GLN A 58 11.112 -7.316 -1.003 1.00 0.00 N ATOM 513 CA GLN A 58 12.020 -7.638 0.092 1.00 0.00 C ATOM 514 C GLN A 58 12.025 -6.527 1.138 1.00 0.00 C ATOM 515 O GLN A 58 11.948 -6.792 2.337 1.00 0.00 O ATOM 516 CB GLN A 58 13.435 -7.863 -0.443 1.00 0.00 C ATOM 517 CG GLN A 58 14.446 -8.217 0.636 1.00 0.00 C ATOM 518 CD GLN A 58 15.815 -8.541 0.069 1.00 0.00 C ATOM 519 OE1 GLN A 58 16.110 -9.693 -0.252 1.00 0.00 O ATOM 520 NE2 GLN A 58 16.659 -7.525 -0.059 1.00 0.00 N ATOM 0 H GLN A 58 11.558 -7.272 -1.919 1.00 0.00 H new ATOM 0 HA GLN A 58 11.670 -8.555 0.567 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.411 -8.663 -1.183 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.767 -6.962 -0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.534 -7.384 1.334 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.081 -9.072 1.205 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.373 -6.586 0.219 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.594 -7.683 -0.436 1.00 0.00 H new ATOM 529 N ARG A 59 12.116 -5.284 0.674 1.00 0.00 N ATOM 530 CA ARG A 59 12.128 -4.135 1.571 1.00 0.00 C ATOM 531 C ARG A 59 10.798 -4.011 2.309 1.00 0.00 C ATOM 532 O ARG A 59 10.769 -3.785 3.519 1.00 0.00 O ATOM 533 CB ARG A 59 12.418 -2.849 0.790 1.00 0.00 C ATOM 534 CG ARG A 59 13.819 -2.796 0.197 1.00 0.00 C ATOM 535 CD ARG A 59 14.884 -2.748 1.282 1.00 0.00 C ATOM 536 NE ARG A 59 16.218 -2.518 0.733 1.00 0.00 N ATOM 537 CZ ARG A 59 17.332 -2.566 1.458 1.00 0.00 C ATOM 538 NH1 ARG A 59 17.274 -2.843 2.754 1.00 0.00 N ATOM 539 NH2 ARG A 59 18.506 -2.335 0.886 1.00 0.00 N ATOM 0 H ARG A 59 12.182 -5.048 -0.316 1.00 0.00 H new ATOM 0 HA ARG A 59 12.919 -4.287 2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.689 -2.750 -0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.280 -1.994 1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.981 -3.670 -0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.911 -1.919 -0.443 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.643 -1.956 1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.878 -3.686 1.837 1.00 0.00 H new ATOM 0 HE ARG A 59 16.300 -2.309 -0.262 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.373 -3.020 3.198 1.00 0.00 H new ATOM 0 HH12 ARG A 59 18.131 -2.879 3.307 1.00 0.00 H new ATOM 0 HH21 ARG A 59 18.555 -2.120 -0.110 1.00 0.00 H new ATOM 0 HH22 ARG A 59 19.360 -2.372 1.442 1.00 0.00 H new ATOM 553 N LEU A 60 9.700 -4.162 1.573 1.00 0.00 N ATOM 554 CA LEU A 60 8.367 -4.076 2.160 1.00 0.00 C ATOM 555 C LEU A 60 8.187 -5.128 3.250 1.00 0.00 C ATOM 556 O LEU A 60 7.529 -4.883 4.261 1.00 0.00 O ATOM 557 CB LEU A 60 7.296 -4.252 1.080 1.00 0.00 C ATOM 558 CG LEU A 60 6.754 -2.951 0.483 1.00 0.00 C ATOM 559 CD1 LEU A 60 5.938 -3.234 -0.769 1.00 0.00 C ATOM 560 CD2 LEU A 60 5.910 -2.207 1.508 1.00 0.00 C ATOM 0 H LEU A 60 9.708 -4.344 0.569 1.00 0.00 H new ATOM 0 HA LEU A 60 8.257 -3.089 2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.711 -4.858 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.463 -4.813 1.504 1.00 0.00 H new ATOM 0 HG LEU A 60 7.601 -2.322 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.562 -2.296 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.568 -3.726 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.099 -3.883 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.532 -1.284 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.072 -2.833 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.521 -1.970 2.379 1.00 0.00 H new ATOM 572 N ARG A 61 8.776 -6.300 3.035 1.00 0.00 N ATOM 573 CA ARG A 61 8.686 -7.389 4.000 1.00 0.00 C ATOM 574 C ARG A 61 9.562 -7.111 5.218 1.00 0.00 C ATOM 575 O ARG A 61 9.252 -7.545 6.328 1.00 0.00 O ATOM 576 CB ARG A 61 9.095 -8.710 3.347 1.00 0.00 C ATOM 577 CG ARG A 61 8.780 -9.932 4.194 1.00 0.00 C ATOM 578 CD ARG A 61 9.214 -11.214 3.504 1.00 0.00 C ATOM 579 NE ARG A 61 8.659 -11.327 2.157 1.00 0.00 N ATOM 580 CZ ARG A 61 8.695 -12.443 1.435 1.00 0.00 C ATOM 581 NH1 ARG A 61 9.244 -13.543 1.932 1.00 0.00 N ATOM 582 NH2 ARG A 61 8.177 -12.460 0.214 1.00 0.00 N ATOM 0 H ARG A 61 9.321 -6.520 2.201 1.00 0.00 H new ATOM 0 HA ARG A 61 7.651 -7.464 4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.587 -8.803 2.387 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.165 -8.687 3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.283 -9.848 5.157 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.709 -9.970 4.395 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.302 -11.247 3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.898 -12.071 4.099 1.00 0.00 H new ATOM 0 HE ARG A 61 8.219 -10.503 1.747 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.641 -13.535 2.872 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.269 -14.397 1.375 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.751 -11.617 -0.171 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.205 -13.316 -0.340 1.00 0.00 H new ATOM 596 N GLU A 62 10.658 -6.387 5.004 1.00 0.00 N ATOM 597 CA GLU A 62 11.570 -6.044 6.090 1.00 0.00 C ATOM 598 C GLU A 62 10.854 -5.193 7.129 1.00 0.00 C ATOM 599 O GLU A 62 11.006 -5.405 8.333 1.00 0.00 O ATOM 600 CB GLU A 62 12.793 -5.303 5.544 1.00 0.00 C ATOM 601 CG GLU A 62 13.881 -5.073 6.579 1.00 0.00 C ATOM 602 CD GLU A 62 15.083 -4.350 6.005 1.00 0.00 C ATOM 603 OE1 GLU A 62 15.948 -5.020 5.403 1.00 0.00 O ATOM 604 OE2 GLU A 62 15.161 -3.112 6.157 1.00 0.00 O ATOM 0 H GLU A 62 10.935 -6.028 4.090 1.00 0.00 H new ATOM 0 HA GLU A 62 11.908 -6.964 6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.210 -5.871 4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.475 -4.340 5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.474 -4.493 7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.199 -6.032 6.987 1.00 0.00 H new ATOM 611 N ASN A 63 10.074 -4.230 6.655 1.00 0.00 N ATOM 612 CA ASN A 63 9.314 -3.362 7.541 1.00 0.00 C ATOM 613 C ASN A 63 7.885 -3.870 7.672 1.00 0.00 C ATOM 614 O ASN A 63 7.030 -3.558 6.846 1.00 0.00 O ATOM 615 CB ASN A 63 9.307 -1.922 7.024 1.00 0.00 C ATOM 616 CG ASN A 63 10.683 -1.286 7.053 1.00 0.00 C ATOM 617 OD1 ASN A 63 11.529 -1.646 7.872 1.00 0.00 O ATOM 618 ND2 ASN A 63 10.911 -0.330 6.160 1.00 0.00 N ATOM 0 H ASN A 63 9.952 -4.031 5.662 1.00 0.00 H new ATOM 0 HA ASN A 63 9.793 -3.374 8.520 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.926 -1.908 6.003 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.623 -1.326 7.628 1.00 0.00 H new ATOM 0 HD21 ASN A 63 11.817 0.138 6.134 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.180 -0.064 5.500 1.00 0.00 H new ATOM 625 N ASP A 64 7.645 -4.685 8.693 1.00 0.00 N ATOM 626 CA ASP A 64 6.316 -5.235 8.939 1.00 0.00 C ATOM 627 C ASP A 64 5.268 -4.126 8.997 1.00 0.00 C ATOM 628 O ASP A 64 5.068 -3.502 10.040 1.00 0.00 O ATOM 629 CB ASP A 64 6.306 -6.030 10.247 1.00 0.00 C ATOM 630 CG ASP A 64 4.931 -6.575 10.582 1.00 0.00 C ATOM 631 OD1 ASP A 64 4.619 -7.704 10.151 1.00 0.00 O ATOM 632 OD2 ASP A 64 4.167 -5.873 11.277 1.00 0.00 O ATOM 0 H ASP A 64 8.354 -4.980 9.365 1.00 0.00 H new ATOM 0 HA ASP A 64 6.067 -5.901 8.113 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.013 -6.856 10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.648 -5.390 11.060 1.00 0.00 H new ATOM 637 N ILE A 65 4.607 -3.882 7.868 1.00 0.00 N ATOM 638 CA ILE A 65 3.579 -2.850 7.792 1.00 0.00 C ATOM 639 C ILE A 65 2.188 -3.470 7.707 1.00 0.00 C ATOM 640 O ILE A 65 1.983 -4.475 7.026 1.00 0.00 O ATOM 641 CB ILE A 65 3.789 -1.921 6.573 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.111 -1.156 6.690 1.00 0.00 C ATOM 643 CG2 ILE A 65 2.624 -0.949 6.430 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.204 -0.268 7.913 1.00 0.00 C ATOM 0 H ILE A 65 4.765 -4.385 6.995 1.00 0.00 H new ATOM 0 HA ILE A 65 3.661 -2.259 8.704 1.00 0.00 H new ATOM 0 HB ILE A 65 3.832 -2.543 5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.932 -1.872 6.711 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.244 -0.544 5.798 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.791 -0.305 5.567 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.699 -1.508 6.291 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.547 -0.338 7.329 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.169 0.238 7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.406 0.473 7.886 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.104 -0.876 8.812 1.00 0.00 H new ATOM 656 N VAL A 66 1.238 -2.860 8.407 1.00 0.00 N ATOM 657 CA VAL A 66 -0.140 -3.335 8.413 1.00 0.00 C ATOM 658 C VAL A 66 -1.062 -2.292 7.786 1.00 0.00 C ATOM 659 O VAL A 66 -0.652 -1.156 7.551 1.00 0.00 O ATOM 660 CB VAL A 66 -0.611 -3.651 9.851 1.00 0.00 C ATOM 661 CG1 VAL A 66 -0.746 -2.374 10.666 1.00 0.00 C ATOM 662 CG2 VAL A 66 -1.918 -4.428 9.843 1.00 0.00 C ATOM 0 H VAL A 66 1.399 -2.032 8.980 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.182 -4.252 7.825 1.00 0.00 H new ATOM 0 HB VAL A 66 0.146 -4.278 10.321 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.079 -2.620 11.675 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.219 -1.870 10.715 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.476 -1.716 10.194 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.224 -4.636 10.868 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.689 -3.838 9.347 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.779 -5.368 9.308 1.00 0.00 H new ATOM 672 N GLY A 67 -2.299 -2.684 7.499 1.00 0.00 N ATOM 673 CA GLY A 67 -3.251 -1.759 6.910 1.00 0.00 C ATOM 674 C GLY A 67 -3.460 -0.525 7.768 1.00 0.00 C ATOM 675 O GLY A 67 -3.692 0.567 7.250 1.00 0.00 O ATOM 0 H GLY A 67 -2.659 -3.624 7.663 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.899 -1.458 5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.206 -2.265 6.767 1.00 0.00 H new ATOM 679 N ASP A 68 -3.378 -0.705 9.083 1.00 0.00 N ATOM 680 CA ASP A 68 -3.556 0.395 10.026 1.00 0.00 C ATOM 681 C ASP A 68 -2.303 1.263 10.095 1.00 0.00 C ATOM 682 O ASP A 68 -2.291 2.305 10.751 1.00 0.00 O ATOM 683 CB ASP A 68 -3.882 -0.153 11.417 1.00 0.00 C ATOM 684 CG ASP A 68 -4.221 0.942 12.409 1.00 0.00 C ATOM 685 OD1 ASP A 68 -5.391 1.376 12.439 1.00 0.00 O ATOM 686 OD2 ASP A 68 -3.314 1.368 13.156 1.00 0.00 O ATOM 0 H ASP A 68 -3.189 -1.606 9.521 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.384 1.011 9.676 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.721 -0.845 11.344 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.030 -0.723 11.788 1.00 0.00 H new ATOM 691 N LEU A 69 -1.251 0.827 9.410 1.00 0.00 N ATOM 692 CA LEU A 69 0.013 1.555 9.402 1.00 0.00 C ATOM 693 C LEU A 69 0.168 2.392 8.135 1.00 0.00 C ATOM 694 O LEU A 69 1.017 3.282 8.072 1.00 0.00 O ATOM 695 CB LEU A 69 1.183 0.576 9.524 1.00 0.00 C ATOM 696 CG LEU A 69 1.987 0.679 10.823 1.00 0.00 C ATOM 697 CD1 LEU A 69 1.082 0.503 12.035 1.00 0.00 C ATOM 698 CD2 LEU A 69 3.102 -0.356 10.837 1.00 0.00 C ATOM 0 H LEU A 69 -1.249 -0.027 8.853 1.00 0.00 H new ATOM 0 HA LEU A 69 0.014 2.232 10.256 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.797 -0.439 9.434 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.859 0.736 8.684 1.00 0.00 H new ATOM 0 HG LEU A 69 2.432 1.673 10.873 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.675 0.580 12.946 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.317 1.279 12.033 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.605 -0.476 11.994 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.665 -0.271 11.766 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.672 -1.355 10.763 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.768 -0.184 9.992 1.00 0.00 H new ATOM 710 N LEU A 70 -0.652 2.108 7.130 1.00 0.00 N ATOM 711 CA LEU A 70 -0.592 2.843 5.871 1.00 0.00 C ATOM 712 C LEU A 70 -1.038 4.299 6.050 1.00 0.00 C ATOM 713 O LEU A 70 -0.335 5.216 5.625 1.00 0.00 O ATOM 714 CB LEU A 70 -1.441 2.153 4.796 1.00 0.00 C ATOM 715 CG LEU A 70 -0.950 0.768 4.361 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.891 0.171 3.326 1.00 0.00 C ATOM 717 CD2 LEU A 70 0.463 0.846 3.804 1.00 0.00 C ATOM 0 H LEU A 70 -1.363 1.378 7.161 1.00 0.00 H new ATOM 0 HA LEU A 70 0.448 2.848 5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.461 2.058 5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.480 2.798 3.918 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.938 0.121 5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.527 -0.812 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.889 0.075 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.932 0.822 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.790 -0.149 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.477 1.511 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.135 1.232 4.570 1.00 0.00 H new ATOM 729 N PRO A 71 -2.211 4.546 6.677 1.00 0.00 N ATOM 730 CA PRO A 71 -2.714 5.900 6.891 1.00 0.00 C ATOM 731 C PRO A 71 -2.227 6.506 8.203 1.00 0.00 C ATOM 732 O PRO A 71 -2.532 7.657 8.517 1.00 0.00 O ATOM 733 CB PRO A 71 -4.223 5.684 6.930 1.00 0.00 C ATOM 734 CG PRO A 71 -4.393 4.332 7.545 1.00 0.00 C ATOM 735 CD PRO A 71 -3.149 3.539 7.215 1.00 0.00 C ATOM 0 HA PRO A 71 -2.376 6.597 6.124 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -4.719 6.454 7.521 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.655 5.722 5.930 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.524 4.413 8.624 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.281 3.838 7.152 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.743 3.048 8.100 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.357 2.757 6.484 1.00 0.00 H new ATOM 743 N GLU A 72 -1.466 5.726 8.967 1.00 0.00 N ATOM 744 CA GLU A 72 -0.945 6.185 10.252 1.00 0.00 C ATOM 745 C GLU A 72 0.460 6.765 10.107 1.00 0.00 C ATOM 746 O GLU A 72 0.893 7.572 10.930 1.00 0.00 O ATOM 747 CB GLU A 72 -0.929 5.030 11.257 1.00 0.00 C ATOM 748 CG GLU A 72 -0.517 5.446 12.660 1.00 0.00 C ATOM 749 CD GLU A 72 -1.509 6.400 13.299 1.00 0.00 C ATOM 750 OE1 GLU A 72 -1.379 7.623 13.085 1.00 0.00 O ATOM 751 OE2 GLU A 72 -2.416 5.922 14.014 1.00 0.00 O ATOM 0 H GLU A 72 -1.197 4.774 8.719 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.603 6.974 10.617 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.922 4.582 11.297 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.245 4.259 10.901 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.418 4.558 13.284 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.464 5.919 12.622 1.00 0.00 H new ATOM 758 N LEU A 73 1.165 6.353 9.060 1.00 0.00 N ATOM 759 CA LEU A 73 2.522 6.830 8.818 1.00 0.00 C ATOM 760 C LEU A 73 2.538 7.936 7.768 1.00 0.00 C ATOM 761 O LEU A 73 1.533 8.191 7.104 1.00 0.00 O ATOM 762 CB LEU A 73 3.420 5.674 8.374 1.00 0.00 C ATOM 763 CG LEU A 73 3.571 4.542 9.394 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.363 3.390 8.799 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.242 5.053 10.662 1.00 0.00 C ATOM 0 H LEU A 73 0.820 5.690 8.365 1.00 0.00 H new ATOM 0 HA LEU A 73 2.905 7.241 9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.020 5.258 7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.409 6.070 8.144 1.00 0.00 H new ATOM 0 HG LEU A 73 2.577 4.177 9.653 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.460 2.595 9.538 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.844 3.007 7.920 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.354 3.740 8.511 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.341 4.235 11.376 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.230 5.444 10.419 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.636 5.846 11.100 1.00 0.00 H new ATOM 777 N CYS A 74 3.688 8.591 7.626 1.00 0.00 N ATOM 778 CA CYS A 74 3.842 9.672 6.660 1.00 0.00 C ATOM 779 C CYS A 74 4.807 9.274 5.546 1.00 0.00 C ATOM 780 O CYS A 74 5.127 8.097 5.381 1.00 0.00 O ATOM 781 CB CYS A 74 4.344 10.936 7.358 1.00 0.00 C ATOM 782 SG CYS A 74 3.236 11.555 8.647 1.00 0.00 S ATOM 0 H CYS A 74 4.527 8.390 8.170 1.00 0.00 H new ATOM 0 HA CYS A 74 2.867 9.872 6.216 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.320 10.732 7.799 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.489 11.717 6.612 1.00 0.00 H new ATOM 0 HG CYS A 74 3.746 12.625 9.181 1.00 0.00 H new ATOM 788 N LEU A 75 5.265 10.263 4.783 1.00 0.00 N ATOM 789 CA LEU A 75 6.192 10.017 3.684 1.00 0.00 C ATOM 790 C LEU A 75 7.560 9.578 4.201 1.00 0.00 C ATOM 791 O LEU A 75 8.367 9.031 3.450 1.00 0.00 O ATOM 792 CB LEU A 75 6.339 11.270 2.817 1.00 0.00 C ATOM 793 CG LEU A 75 5.138 11.586 1.923 1.00 0.00 C ATOM 794 CD1 LEU A 75 5.329 12.925 1.227 1.00 0.00 C ATOM 795 CD2 LEU A 75 4.929 10.479 0.900 1.00 0.00 C ATOM 0 H LEU A 75 5.009 11.243 4.906 1.00 0.00 H new ATOM 0 HA LEU A 75 5.781 9.210 3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.522 12.124 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.221 11.155 2.187 1.00 0.00 H new ATOM 0 HG LEU A 75 4.249 11.648 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.465 13.133 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.431 13.712 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.228 12.890 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.071 10.720 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.819 10.386 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.747 9.536 1.416 1.00 0.00 H new ATOM 807 N GLN A 76 7.816 9.823 5.483 1.00 0.00 N ATOM 808 CA GLN A 76 9.088 9.445 6.090 1.00 0.00 C ATOM 809 C GLN A 76 9.326 7.947 5.943 1.00 0.00 C ATOM 810 O GLN A 76 10.340 7.519 5.388 1.00 0.00 O ATOM 811 CB GLN A 76 9.113 9.839 7.569 1.00 0.00 C ATOM 812 CG GLN A 76 10.464 9.628 8.233 1.00 0.00 C ATOM 813 CD GLN A 76 10.470 10.032 9.695 1.00 0.00 C ATOM 814 OE1 GLN A 76 11.491 10.472 10.226 1.00 0.00 O ATOM 815 NE2 GLN A 76 9.329 9.882 10.358 1.00 0.00 N ATOM 0 H GLN A 76 7.162 10.280 6.119 1.00 0.00 H new ATOM 0 HA GLN A 76 9.886 9.977 5.572 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.832 10.888 7.662 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.360 9.259 8.103 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.745 8.578 8.150 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.220 10.203 7.699 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.506 9.514 9.880 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.275 10.135 11.345 1.00 0.00 H new ATOM 824 N ASP A 77 8.385 7.152 6.443 1.00 0.00 N ATOM 825 CA ASP A 77 8.489 5.701 6.359 1.00 0.00 C ATOM 826 C ASP A 77 8.458 5.245 4.904 1.00 0.00 C ATOM 827 O ASP A 77 9.225 4.372 4.501 1.00 0.00 O ATOM 828 CB ASP A 77 7.349 5.040 7.135 1.00 0.00 C ATOM 829 CG ASP A 77 7.350 5.423 8.601 1.00 0.00 C ATOM 830 OD1 ASP A 77 6.776 6.480 8.939 1.00 0.00 O ATOM 831 OD2 ASP A 77 7.925 4.667 9.413 1.00 0.00 O ATOM 0 H ASP A 77 7.543 7.489 6.910 1.00 0.00 H new ATOM 0 HA ASP A 77 9.439 5.401 6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.396 5.325 6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.432 3.957 7.045 1.00 0.00 H new ATOM 836 N CYS A 78 7.567 5.851 4.122 1.00 0.00 N ATOM 837 CA CYS A 78 7.424 5.514 2.708 1.00 0.00 C ATOM 838 C CYS A 78 8.769 5.577 1.992 1.00 0.00 C ATOM 839 O CYS A 78 9.085 4.716 1.170 1.00 0.00 O ATOM 840 CB CYS A 78 6.431 6.465 2.038 1.00 0.00 C ATOM 841 SG CYS A 78 4.778 6.440 2.772 1.00 0.00 S ATOM 0 H CYS A 78 6.931 6.580 4.445 1.00 0.00 H new ATOM 0 HA CYS A 78 7.047 4.494 2.639 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.825 7.480 2.089 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.352 6.207 0.982 1.00 0.00 H new ATOM 0 HG CYS A 78 4.788 7.107 3.888 1.00 0.00 H new ATOM 847 N GLN A 79 9.556 6.601 2.307 1.00 0.00 N ATOM 848 CA GLN A 79 10.867 6.766 1.693 1.00 0.00 C ATOM 849 C GLN A 79 11.813 5.665 2.155 1.00 0.00 C ATOM 850 O GLN A 79 12.594 5.131 1.367 1.00 0.00 O ATOM 851 CB GLN A 79 11.453 8.135 2.041 1.00 0.00 C ATOM 852 CG GLN A 79 12.662 8.504 1.199 1.00 0.00 C ATOM 853 CD GLN A 79 13.280 9.824 1.613 1.00 0.00 C ATOM 854 OE1 GLN A 79 14.162 9.869 2.472 1.00 0.00 O ATOM 855 NE2 GLN A 79 12.821 10.909 1.001 1.00 0.00 N ATOM 0 H GLN A 79 9.309 7.326 2.981 1.00 0.00 H new ATOM 0 HA GLN A 79 10.748 6.699 0.612 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.683 8.895 1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.736 8.144 3.094 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.410 7.716 1.280 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.367 8.558 0.151 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.089 10.825 0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.200 11.826 1.237 1.00 0.00 H new ATOM 864 N ASP A 80 11.738 5.331 3.441 1.00 0.00 N ATOM 865 CA ASP A 80 12.581 4.287 4.009 1.00 0.00 C ATOM 866 C ASP A 80 12.215 2.932 3.415 1.00 0.00 C ATOM 867 O ASP A 80 13.030 2.009 3.393 1.00 0.00 O ATOM 868 CB ASP A 80 12.430 4.250 5.530 1.00 0.00 C ATOM 869 CG ASP A 80 13.299 3.187 6.175 1.00 0.00 C ATOM 870 OD1 ASP A 80 12.824 2.042 6.323 1.00 0.00 O ATOM 871 OD2 ASP A 80 14.455 3.501 6.530 1.00 0.00 O ATOM 0 H ASP A 80 11.102 5.769 4.107 1.00 0.00 H new ATOM 0 HA ASP A 80 13.620 4.510 3.765 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.690 5.225 5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.386 4.064 5.784 1.00 0.00 H new ATOM 876 N LEU A 81 10.980 2.826 2.933 1.00 0.00 N ATOM 877 CA LEU A 81 10.493 1.591 2.331 1.00 0.00 C ATOM 878 C LEU A 81 11.161 1.345 0.984 1.00 0.00 C ATOM 879 O LEU A 81 11.218 0.212 0.505 1.00 0.00 O ATOM 880 CB LEU A 81 8.971 1.651 2.163 1.00 0.00 C ATOM 881 CG LEU A 81 8.163 0.882 3.213 1.00 0.00 C ATOM 882 CD1 LEU A 81 8.554 -0.588 3.221 1.00 0.00 C ATOM 883 CD2 LEU A 81 8.353 1.493 4.593 1.00 0.00 C ATOM 0 H LEU A 81 10.297 3.584 2.948 1.00 0.00 H new ATOM 0 HA LEU A 81 10.745 0.763 2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.661 2.696 2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.716 1.263 1.177 1.00 0.00 H new ATOM 0 HG LEU A 81 7.108 0.955 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.969 -1.116 3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.360 -1.022 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.614 -0.681 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.770 0.931 5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.408 1.456 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.017 2.530 4.581 1.00 0.00 H new ATOM 895 N CYS A 82 11.666 2.415 0.377 1.00 0.00 N ATOM 896 CA CYS A 82 12.336 2.320 -0.915 1.00 0.00 C ATOM 897 C CYS A 82 13.850 2.390 -0.742 1.00 0.00 C ATOM 898 O CYS A 82 14.346 2.762 0.322 1.00 0.00 O ATOM 899 CB CYS A 82 11.862 3.441 -1.842 1.00 0.00 C ATOM 900 SG CYS A 82 12.486 3.318 -3.535 1.00 0.00 S ATOM 0 H CYS A 82 11.624 3.359 0.760 1.00 0.00 H new ATOM 0 HA CYS A 82 12.082 1.359 -1.363 1.00 0.00 H new ATOM 0 HB2 CYS A 82 10.772 3.439 -1.868 1.00 0.00 H new ATOM 0 HB3 CYS A 82 12.170 4.399 -1.422 1.00 0.00 H new ATOM 0 HG CYS A 82 13.345 4.270 -3.751 1.00 0.00 H new ATOM 906 N ASP A 83 14.579 2.028 -1.793 1.00 0.00 N ATOM 907 CA ASP A 83 16.037 2.053 -1.763 1.00 0.00 C ATOM 908 C ASP A 83 16.552 3.467 -1.506 1.00 0.00 C ATOM 909 O ASP A 83 17.652 3.652 -0.986 1.00 0.00 O ATOM 910 CB ASP A 83 16.603 1.526 -3.081 1.00 0.00 C ATOM 911 CG ASP A 83 18.118 1.517 -3.101 1.00 0.00 C ATOM 912 OD1 ASP A 83 18.713 0.516 -2.650 1.00 0.00 O ATOM 913 OD2 ASP A 83 18.711 2.513 -3.567 1.00 0.00 O ATOM 0 H ASP A 83 14.182 1.713 -2.678 1.00 0.00 H new ATOM 0 HA ASP A 83 16.370 1.410 -0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.235 0.514 -3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.236 2.142 -3.902 1.00 0.00 H new ATOM 918 N GLY A 84 15.747 4.460 -1.875 1.00 0.00 N ATOM 919 CA GLY A 84 16.137 5.844 -1.679 1.00 0.00 C ATOM 920 C GLY A 84 15.671 6.742 -2.808 1.00 0.00 C ATOM 921 O GLY A 84 16.474 7.449 -3.419 1.00 0.00 O ATOM 0 H GLY A 84 14.832 4.330 -2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.724 6.205 -0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.222 5.904 -1.595 1.00 0.00 H new ATOM 925 N ASP A 85 14.372 6.714 -3.084 1.00 0.00 N ATOM 926 CA ASP A 85 13.796 7.532 -4.145 1.00 0.00 C ATOM 927 C ASP A 85 12.487 8.167 -3.684 1.00 0.00 C ATOM 928 O ASP A 85 11.508 7.471 -3.417 1.00 0.00 O ATOM 929 CB ASP A 85 13.561 6.690 -5.401 1.00 0.00 C ATOM 930 CG ASP A 85 13.004 7.507 -6.549 1.00 0.00 C ATOM 931 OD1 ASP A 85 13.745 8.356 -7.087 1.00 0.00 O ATOM 932 OD2 ASP A 85 11.828 7.296 -6.914 1.00 0.00 O ATOM 0 H ASP A 85 13.697 6.133 -2.587 1.00 0.00 H new ATOM 0 HA ASP A 85 14.502 8.328 -4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.501 6.231 -5.708 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.871 5.879 -5.168 1.00 0.00 H new ATOM 937 N LEU A 86 12.485 9.492 -3.591 1.00 0.00 N ATOM 938 CA LEU A 86 11.305 10.231 -3.155 1.00 0.00 C ATOM 939 C LEU A 86 10.109 9.948 -4.059 1.00 0.00 C ATOM 940 O LEU A 86 9.010 9.677 -3.576 1.00 0.00 O ATOM 941 CB LEU A 86 11.602 11.733 -3.137 1.00 0.00 C ATOM 942 CG LEU A 86 10.417 12.627 -2.763 1.00 0.00 C ATOM 943 CD1 LEU A 86 9.990 12.376 -1.324 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.768 14.093 -2.969 1.00 0.00 C ATOM 0 H LEU A 86 13.290 10.078 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 86 11.054 9.900 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.413 11.918 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.962 12.028 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 86 9.581 12.379 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.147 13.021 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.695 11.333 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.822 12.594 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.914 14.713 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.620 14.355 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.022 14.263 -4.015 1.00 0.00 H new ATOM 956 N ASN A 87 10.332 10.011 -5.369 1.00 0.00 N ATOM 957 CA ASN A 87 9.271 9.768 -6.345 1.00 0.00 C ATOM 958 C ASN A 87 8.522 8.474 -6.040 1.00 0.00 C ATOM 959 O ASN A 87 7.291 8.428 -6.101 1.00 0.00 O ATOM 960 CB ASN A 87 9.853 9.714 -7.759 1.00 0.00 C ATOM 961 CG ASN A 87 10.477 11.031 -8.177 1.00 0.00 C ATOM 962 OD1 ASN A 87 10.048 12.100 -7.745 1.00 0.00 O ATOM 963 ND2 ASN A 87 11.497 10.959 -9.024 1.00 0.00 N ATOM 0 H ASN A 87 11.239 10.229 -5.781 1.00 0.00 H new ATOM 0 HA ASN A 87 8.562 10.594 -6.280 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.605 8.926 -7.810 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.065 9.448 -8.464 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.957 11.812 -9.342 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.820 10.051 -9.357 1.00 0.00 H new ATOM 970 N LYS A 88 9.269 7.425 -5.709 1.00 0.00 N ATOM 971 CA LYS A 88 8.668 6.133 -5.398 1.00 0.00 C ATOM 972 C LYS A 88 7.743 6.243 -4.191 1.00 0.00 C ATOM 973 O LYS A 88 6.652 5.670 -4.178 1.00 0.00 O ATOM 974 CB LYS A 88 9.753 5.086 -5.133 1.00 0.00 C ATOM 975 CG LYS A 88 9.204 3.687 -4.894 1.00 0.00 C ATOM 976 CD LYS A 88 8.514 3.136 -6.133 1.00 0.00 C ATOM 977 CE LYS A 88 9.464 2.313 -6.990 1.00 0.00 C ATOM 978 NZ LYS A 88 10.791 2.969 -7.143 1.00 0.00 N ATOM 0 H LYS A 88 10.287 7.444 -5.649 1.00 0.00 H new ATOM 0 HA LYS A 88 8.079 5.819 -6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.436 5.059 -5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.337 5.392 -4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.017 3.021 -4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.498 3.710 -4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.667 2.518 -5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.114 3.960 -6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.596 1.329 -6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.021 2.157 -7.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.371 2.427 -7.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.661 3.937 -7.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.270 3.003 -6.221 1.00 0.00 H new ATOM 992 N ALA A 89 8.182 6.986 -3.178 1.00 0.00 N ATOM 993 CA ALA A 89 7.391 7.168 -1.969 1.00 0.00 C ATOM 994 C ALA A 89 6.105 7.929 -2.265 1.00 0.00 C ATOM 995 O ALA A 89 5.109 7.782 -1.556 1.00 0.00 O ATOM 996 CB ALA A 89 8.201 7.889 -0.903 1.00 0.00 C ATOM 0 H ALA A 89 9.080 7.470 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 89 7.122 6.181 -1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.593 8.016 -0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.087 7.302 -0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.505 8.867 -1.276 1.00 0.00 H new ATOM 1002 N ILE A 90 6.131 8.746 -3.315 1.00 0.00 N ATOM 1003 CA ILE A 90 4.962 9.524 -3.704 1.00 0.00 C ATOM 1004 C ILE A 90 3.856 8.607 -4.211 1.00 0.00 C ATOM 1005 O ILE A 90 2.741 8.619 -3.689 1.00 0.00 O ATOM 1006 CB ILE A 90 5.301 10.561 -4.795 1.00 0.00 C ATOM 1007 CG1 ILE A 90 6.441 11.472 -4.331 1.00 0.00 C ATOM 1008 CG2 ILE A 90 4.068 11.383 -5.145 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.897 12.461 -5.384 1.00 0.00 C ATOM 0 H ILE A 90 6.948 8.885 -3.910 1.00 0.00 H new ATOM 0 HA ILE A 90 4.622 10.057 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 90 5.628 10.031 -5.689 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.119 12.020 -3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 90 7.289 10.855 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.322 12.110 -5.916 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.283 10.723 -5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.714 11.905 -4.256 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.706 13.072 -4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.251 11.920 -6.262 1.00 0.00 H new ATOM 0 HD13 ILE A 90 6.063 13.103 -5.665 1.00 0.00 H new ATOM 1021 N LYS A 91 4.175 7.811 -5.228 1.00 0.00 N ATOM 1022 CA LYS A 91 3.208 6.879 -5.801 1.00 0.00 C ATOM 1023 C LYS A 91 2.664 5.942 -4.731 1.00 0.00 C ATOM 1024 O LYS A 91 1.519 5.495 -4.803 1.00 0.00 O ATOM 1025 CB LYS A 91 3.852 6.067 -6.927 1.00 0.00 C ATOM 1026 CG LYS A 91 3.594 6.634 -8.314 1.00 0.00 C ATOM 1027 CD LYS A 91 2.122 6.549 -8.682 1.00 0.00 C ATOM 1028 CE LYS A 91 1.878 7.008 -10.109 1.00 0.00 C ATOM 1029 NZ LYS A 91 2.592 6.153 -11.098 1.00 0.00 N ATOM 0 H LYS A 91 5.093 7.792 -5.671 1.00 0.00 H new ATOM 0 HA LYS A 91 2.380 7.458 -6.211 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.928 6.018 -6.758 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.476 5.045 -6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.920 7.673 -8.350 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.186 6.088 -9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.775 5.522 -8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.538 7.163 -7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.808 6.989 -10.318 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.206 8.042 -10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.187 6.304 -12.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.601 6.404 -11.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.488 5.153 -10.832 1.00 0.00 H new ATOM 1043 N PHE A 92 3.496 5.649 -3.738 1.00 0.00 N ATOM 1044 CA PHE A 92 3.108 4.769 -2.646 1.00 0.00 C ATOM 1045 C PHE A 92 1.963 5.377 -1.839 1.00 0.00 C ATOM 1046 O PHE A 92 0.860 4.828 -1.795 1.00 0.00 O ATOM 1047 CB PHE A 92 4.316 4.503 -1.742 1.00 0.00 C ATOM 1048 CG PHE A 92 4.077 3.466 -0.678 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.378 2.301 -0.959 1.00 0.00 C ATOM 1050 CD2 PHE A 92 4.566 3.656 0.605 1.00 0.00 C ATOM 1051 CE1 PHE A 92 3.170 1.347 0.019 1.00 0.00 C ATOM 1052 CE2 PHE A 92 4.359 2.705 1.587 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.661 1.550 1.294 1.00 0.00 C ATOM 0 H PHE A 92 4.447 6.011 -3.668 1.00 0.00 H new ATOM 0 HA PHE A 92 2.760 3.825 -3.065 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.155 4.185 -2.361 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.609 5.437 -1.263 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.992 2.138 -1.954 1.00 0.00 H new ATOM 0 HD2 PHE A 92 5.114 4.556 0.840 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.624 0.444 -0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.743 2.865 2.583 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.499 0.807 2.061 1.00 0.00 H new ATOM 1063 N LYS A 93 2.226 6.521 -1.213 1.00 0.00 N ATOM 1064 CA LYS A 93 1.218 7.203 -0.409 1.00 0.00 C ATOM 1065 C LYS A 93 0.001 7.574 -1.254 1.00 0.00 C ATOM 1066 O LYS A 93 -1.100 7.740 -0.729 1.00 0.00 O ATOM 1067 CB LYS A 93 1.808 8.455 0.243 1.00 0.00 C ATOM 1068 CG LYS A 93 0.791 9.274 1.024 1.00 0.00 C ATOM 1069 CD LYS A 93 1.455 10.389 1.817 1.00 0.00 C ATOM 1070 CE LYS A 93 2.208 9.844 3.021 1.00 0.00 C ATOM 1071 NZ LYS A 93 1.308 9.110 3.952 1.00 0.00 N ATOM 0 H LYS A 93 3.129 6.995 -1.247 1.00 0.00 H new ATOM 0 HA LYS A 93 0.895 6.517 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.615 8.159 0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.250 9.083 -0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.062 9.702 0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.243 8.621 1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.144 10.935 1.172 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.699 11.100 2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.001 9.178 2.682 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.687 10.666 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.378 9.526 4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.327 9.181 3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.590 8.110 3.990 1.00 0.00 H new ATOM 1085 N ILE A 94 0.203 7.701 -2.562 1.00 0.00 N ATOM 1086 CA ILE A 94 -0.886 8.049 -3.468 1.00 0.00 C ATOM 1087 C ILE A 94 -1.946 6.953 -3.498 1.00 0.00 C ATOM 1088 O ILE A 94 -3.077 7.163 -3.059 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.379 8.301 -4.904 1.00 0.00 C ATOM 1090 CG1 ILE A 94 0.226 9.703 -5.016 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -1.512 8.119 -5.906 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.887 9.975 -6.351 1.00 0.00 C ATOM 0 H ILE A 94 1.107 7.569 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.327 8.970 -3.086 1.00 0.00 H new ATOM 0 HB ILE A 94 0.399 7.573 -5.133 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.558 10.442 -4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.961 9.836 -4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.139 8.300 -6.914 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.897 7.101 -5.839 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.312 8.825 -5.683 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.293 10.987 -6.357 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.694 9.260 -6.510 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.151 9.875 -7.149 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.575 5.788 -4.026 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.498 4.663 -4.116 1.00 0.00 C ATOM 1106 C LEU A 95 -3.140 4.394 -2.766 1.00 0.00 C ATOM 1107 O LEU A 95 -4.283 3.941 -2.686 1.00 0.00 O ATOM 1108 CB LEU A 95 -1.773 3.407 -4.604 1.00 0.00 C ATOM 1109 CG LEU A 95 -0.992 3.568 -5.911 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -0.365 2.244 -6.317 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -1.896 4.093 -7.018 1.00 0.00 C ATOM 0 H LEU A 95 -0.643 5.601 -4.397 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.276 4.920 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.083 3.080 -3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.507 2.611 -4.734 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.196 4.295 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.187 2.373 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.316 1.909 -5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.148 1.499 -6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.321 4.200 -7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.715 3.393 -7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.300 5.063 -6.728 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.395 4.680 -1.707 1.00 0.00 N ATOM 1124 CA ILE A 96 -2.888 4.474 -0.357 1.00 0.00 C ATOM 1125 C ILE A 96 -3.956 5.502 0.003 1.00 0.00 C ATOM 1126 O ILE A 96 -4.944 5.179 0.664 1.00 0.00 O ATOM 1127 CB ILE A 96 -1.743 4.537 0.670 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -0.712 3.446 0.374 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.286 4.394 2.084 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.610 3.650 1.080 1.00 0.00 C ATOM 0 H ILE A 96 -1.448 5.055 -1.759 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.333 3.479 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.254 5.508 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.124 2.480 0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.537 3.406 -0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.462 4.441 2.796 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.988 5.202 2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.797 3.436 2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.289 2.838 0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.045 4.600 0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.449 3.660 2.158 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.749 6.740 -0.433 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.696 7.815 -0.159 1.00 0.00 C ATOM 1144 C ASN A 97 -6.040 7.526 -0.821 1.00 0.00 C ATOM 1145 O ASN A 97 -7.095 7.655 -0.197 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.142 9.150 -0.656 1.00 0.00 C ATOM 1147 CG ASN A 97 -5.084 10.306 -0.383 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -5.948 10.624 -1.201 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -4.923 10.941 0.773 1.00 0.00 N ATOM 0 H ASN A 97 -2.934 7.024 -0.977 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.845 7.875 0.919 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.184 9.344 -0.174 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.952 9.085 -1.727 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.529 11.726 1.012 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.194 10.643 1.421 1.00 0.00 H new ATOM 1156 N LYS A 98 -5.994 7.135 -2.092 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.204 6.822 -2.841 1.00 0.00 C ATOM 1158 C LYS A 98 -7.903 5.604 -2.249 1.00 0.00 C ATOM 1159 O LYS A 98 -9.127 5.493 -2.302 1.00 0.00 O ATOM 1160 CB LYS A 98 -6.873 6.572 -4.315 1.00 0.00 C ATOM 1161 CG LYS A 98 -6.729 7.845 -5.136 1.00 0.00 C ATOM 1162 CD LYS A 98 -5.539 8.679 -4.685 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.467 9.996 -5.439 1.00 0.00 C ATOM 1164 NZ LYS A 98 -5.344 9.786 -6.908 1.00 0.00 N ATOM 0 H LYS A 98 -5.130 7.028 -2.624 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.876 7.677 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.945 6.003 -4.378 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.656 5.954 -4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.613 7.587 -6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.640 8.437 -5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.614 8.874 -3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.618 8.117 -4.843 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.360 10.584 -5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.614 10.573 -5.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.112 10.689 -7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.590 9.096 -7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.245 9.427 -7.284 1.00 0.00 H new ATOM 1178 N MET A 99 -7.115 4.693 -1.687 1.00 0.00 N ATOM 1179 CA MET A 99 -7.659 3.488 -1.073 1.00 0.00 C ATOM 1180 C MET A 99 -8.464 3.848 0.170 1.00 0.00 C ATOM 1181 O MET A 99 -9.468 3.207 0.482 1.00 0.00 O ATOM 1182 CB MET A 99 -6.528 2.524 -0.707 1.00 0.00 C ATOM 1183 CG MET A 99 -7.003 1.265 0.001 1.00 0.00 C ATOM 1184 SD MET A 99 -5.642 0.185 0.481 1.00 0.00 S ATOM 1185 CE MET A 99 -6.533 -1.153 1.269 1.00 0.00 C ATOM 0 H MET A 99 -6.099 4.767 -1.644 1.00 0.00 H new ATOM 0 HA MET A 99 -8.319 2.999 -1.789 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.996 2.241 -1.615 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.814 3.042 -0.067 1.00 0.00 H new ATOM 0 HG2 MET A 99 -7.571 1.544 0.888 1.00 0.00 H new ATOM 0 HG3 MET A 99 -7.682 0.719 -0.654 1.00 0.00 H new ATOM 0 HE1 MET A 99 -5.824 -1.887 1.652 1.00 0.00 H new ATOM 0 HE2 MET A 99 -7.128 -0.759 2.093 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.191 -1.630 0.542 1.00 0.00 H new ATOM 1195 N ARG A 100 -8.013 4.882 0.873 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.686 5.339 2.082 1.00 0.00 C ATOM 1197 C ARG A 100 -10.055 5.919 1.744 1.00 0.00 C ATOM 1198 O ARG A 100 -11.045 5.630 2.416 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.837 6.394 2.794 1.00 0.00 C ATOM 1200 CG ARG A 100 -8.377 6.788 4.160 1.00 0.00 C ATOM 1201 CD ARG A 100 -7.648 7.998 4.721 1.00 0.00 C ATOM 1202 NE ARG A 100 -6.205 7.781 4.806 1.00 0.00 N ATOM 1203 CZ ARG A 100 -5.330 8.753 5.044 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -5.747 10.000 5.214 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -4.033 8.478 5.112 1.00 0.00 N ATOM 0 H ARG A 100 -7.183 5.420 0.625 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.820 4.484 2.744 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.822 6.014 2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.775 7.283 2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.442 7.008 4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.275 5.949 4.848 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -7.847 8.865 4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.038 8.228 5.712 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.851 6.833 4.676 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.742 10.216 5.162 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.072 10.743 5.396 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.707 7.520 4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.362 9.224 5.295 1.00 0.00 H new ATOM 1219 N ASP A 101 -10.101 6.739 0.699 1.00 0.00 N ATOM 1220 CA ASP A 101 -11.348 7.359 0.266 1.00 0.00 C ATOM 1221 C ASP A 101 -12.215 6.364 -0.501 1.00 0.00 C ATOM 1222 O ASP A 101 -13.432 6.534 -0.596 1.00 0.00 O ATOM 1223 CB ASP A 101 -11.059 8.585 -0.603 1.00 0.00 C ATOM 1224 CG ASP A 101 -10.346 9.681 0.164 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -9.103 9.622 0.268 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -11.031 10.601 0.660 1.00 0.00 O ATOM 0 H ASP A 101 -9.288 6.990 0.136 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.895 7.676 1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.450 8.287 -1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -11.996 8.974 -1.001 1.00 0.00 H new