USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=14 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 Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 81:sc= 1.16 USER MOD Single : A 44 CYS SG : rot 180:sc= -1.41 USER MOD Single : A 46 SER OG : rot -17:sc= 0.123 USER MOD Single : A 47 THR OG1 : rot -54:sc= 1.19 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.66 USER MOD Single : A 58 GLN : amide:sc= -2.6! K(o=-2.6!,f=-0.041) USER MOD Single : A 63 ASN : amide:sc= -0.0164 K(o=-0.016,f=-0.6) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 78 CYS SG : rot 82:sc= 0.824 USER MOD Single : A 79 GLN : amide:sc= -0.666 K(o=-0.67,f=0) USER MOD Single : A 82 CYS SG : rot 69:sc= -1.67 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -154:sc= -1.63! (180deg=-3.44!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 162:sc= 0.0595 (180deg=-0.328) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 98 LYS NZ :NH3+ -140:sc= -0.0942 (180deg=-0.383) USER MOD Single : A 99 MET CE :methyl -122:sc= -0.333 (180deg=-2.03) USER MOD ----------------------------------------------------------------- ATOM 142 N GLN A 34 -7.085 -5.955 8.259 1.00 0.00 N ATOM 143 CA GLN A 34 -6.865 -7.385 8.452 1.00 0.00 C ATOM 144 C GLN A 34 -5.797 -7.907 7.494 1.00 0.00 C ATOM 145 O GLN A 34 -5.491 -9.100 7.483 1.00 0.00 O ATOM 146 CB GLN A 34 -8.171 -8.154 8.245 1.00 0.00 C ATOM 147 CG GLN A 34 -9.287 -7.727 9.185 1.00 0.00 C ATOM 148 CD GLN A 34 -10.580 -8.478 8.933 1.00 0.00 C ATOM 149 OE1 GLN A 34 -11.419 -8.046 8.140 1.00 0.00 O ATOM 150 NE2 GLN A 34 -10.748 -9.610 9.607 1.00 0.00 N ATOM 0 HA GLN A 34 -6.517 -7.539 9.473 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.503 -8.018 7.216 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.981 -9.219 8.381 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.971 -7.890 10.216 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.464 -6.658 9.071 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.027 -9.930 10.254 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.598 -10.159 9.478 1.00 0.00 H new ATOM 159 N TRP A 35 -5.233 -7.007 6.696 1.00 0.00 N ATOM 160 CA TRP A 35 -4.200 -7.374 5.731 1.00 0.00 C ATOM 161 C TRP A 35 -2.929 -7.845 6.428 1.00 0.00 C ATOM 162 O TRP A 35 -2.629 -7.429 7.548 1.00 0.00 O ATOM 163 CB TRP A 35 -3.875 -6.185 4.823 1.00 0.00 C ATOM 164 CG TRP A 35 -4.854 -5.983 3.705 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.079 -6.571 3.559 1.00 0.00 C ATOM 166 CD2 TRP A 35 -4.683 -5.128 2.570 1.00 0.00 C ATOM 167 NE1 TRP A 35 -6.677 -6.132 2.403 1.00 0.00 N ATOM 168 CE2 TRP A 35 -5.840 -5.246 1.778 1.00 0.00 C ATOM 169 CE3 TRP A 35 -3.661 -4.273 2.146 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.003 -4.542 0.588 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -3.825 -3.575 0.965 1.00 0.00 C ATOM 172 CH2 TRP A 35 -4.987 -3.712 0.198 1.00 0.00 C ATOM 0 H TRP A 35 -5.474 -6.016 6.698 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.588 -8.197 5.130 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.839 -5.279 5.428 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.880 -6.326 4.400 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.513 -7.277 4.251 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.595 -6.419 2.065 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.760 -4.160 2.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.899 -4.647 -0.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.042 -2.912 0.628 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.084 -3.152 -0.720 1.00 0.00 H new ATOM 183 N SER A 36 -2.184 -8.716 5.753 1.00 0.00 N ATOM 184 CA SER A 36 -0.935 -9.241 6.290 1.00 0.00 C ATOM 185 C SER A 36 0.250 -8.732 5.475 1.00 0.00 C ATOM 186 O SER A 36 0.078 -7.942 4.547 1.00 0.00 O ATOM 187 CB SER A 36 -0.953 -10.770 6.289 1.00 0.00 C ATOM 188 OG SER A 36 -2.013 -11.268 7.088 1.00 0.00 O ATOM 0 H SER A 36 -2.426 -9.074 4.829 1.00 0.00 H new ATOM 0 HA SER A 36 -0.830 -8.893 7.318 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.061 -11.135 5.268 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.002 -11.148 6.664 1.00 0.00 H new ATOM 0 HG SER A 36 -2.004 -12.248 7.070 1.00 0.00 H new ATOM 194 N VAL A 37 1.446 -9.189 5.821 1.00 0.00 N ATOM 195 CA VAL A 37 2.654 -8.772 5.120 1.00 0.00 C ATOM 196 C VAL A 37 2.600 -9.152 3.641 1.00 0.00 C ATOM 197 O VAL A 37 2.788 -8.307 2.766 1.00 0.00 O ATOM 198 CB VAL A 37 3.914 -9.390 5.757 1.00 0.00 C ATOM 199 CG1 VAL A 37 5.160 -9.013 4.968 1.00 0.00 C ATOM 200 CG2 VAL A 37 4.045 -8.956 7.208 1.00 0.00 C ATOM 0 H VAL A 37 1.606 -9.848 6.583 1.00 0.00 H new ATOM 0 HA VAL A 37 2.708 -7.687 5.205 1.00 0.00 H new ATOM 0 HB VAL A 37 3.813 -10.475 5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.037 -9.461 5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.068 -9.380 3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.269 -7.929 4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.940 -9.402 7.642 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.120 -7.870 7.257 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.169 -9.285 7.767 1.00 0.00 H new ATOM 210 N ASP A 38 2.337 -10.426 3.370 1.00 0.00 N ATOM 211 CA ASP A 38 2.271 -10.922 1.997 1.00 0.00 C ATOM 212 C ASP A 38 1.130 -10.271 1.219 1.00 0.00 C ATOM 213 O ASP A 38 1.224 -10.084 0.006 1.00 0.00 O ATOM 214 CB ASP A 38 2.097 -12.442 1.992 1.00 0.00 C ATOM 215 CG ASP A 38 3.215 -13.154 2.728 1.00 0.00 C ATOM 216 OD1 ASP A 38 4.237 -13.475 2.086 1.00 0.00 O ATOM 217 OD2 ASP A 38 3.069 -13.390 3.945 1.00 0.00 O ATOM 0 H ASP A 38 2.166 -11.136 4.082 1.00 0.00 H new ATOM 0 HA ASP A 38 3.209 -10.660 1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.142 -12.697 2.452 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.060 -12.797 0.962 1.00 0.00 H new ATOM 222 N ASP A 39 0.055 -9.928 1.920 1.00 0.00 N ATOM 223 CA ASP A 39 -1.104 -9.308 1.286 1.00 0.00 C ATOM 224 C ASP A 39 -0.778 -7.910 0.768 1.00 0.00 C ATOM 225 O ASP A 39 -1.007 -7.602 -0.402 1.00 0.00 O ATOM 226 CB ASP A 39 -2.272 -9.235 2.270 1.00 0.00 C ATOM 227 CG ASP A 39 -3.583 -8.900 1.586 1.00 0.00 C ATOM 228 OD1 ASP A 39 -3.788 -7.717 1.244 1.00 0.00 O ATOM 229 OD2 ASP A 39 -4.402 -9.822 1.389 1.00 0.00 O ATOM 0 H ASP A 39 -0.039 -10.068 2.926 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.385 -9.929 0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.368 -10.190 2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.058 -8.482 3.029 1.00 0.00 H new ATOM 234 N VAL A 40 -0.244 -7.066 1.646 1.00 0.00 N ATOM 235 CA VAL A 40 0.105 -5.695 1.283 1.00 0.00 C ATOM 236 C VAL A 40 1.102 -5.651 0.128 1.00 0.00 C ATOM 237 O VAL A 40 0.932 -4.883 -0.818 1.00 0.00 O ATOM 238 CB VAL A 40 0.697 -4.930 2.483 1.00 0.00 C ATOM 239 CG1 VAL A 40 1.025 -3.495 2.099 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.261 -4.967 3.664 1.00 0.00 C ATOM 0 H VAL A 40 -0.043 -7.308 2.616 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.822 -5.215 0.969 1.00 0.00 H new ATOM 0 HB VAL A 40 1.624 -5.421 2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.441 -2.974 2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.752 -3.493 1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.116 -2.989 1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.173 -4.422 4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.206 -4.504 3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.438 -6.002 3.957 1.00 0.00 H new ATOM 250 N ILE A 41 2.142 -6.473 0.215 1.00 0.00 N ATOM 251 CA ILE A 41 3.172 -6.517 -0.819 1.00 0.00 C ATOM 252 C ILE A 41 2.588 -6.871 -2.185 1.00 0.00 C ATOM 253 O ILE A 41 2.798 -6.152 -3.162 1.00 0.00 O ATOM 254 CB ILE A 41 4.276 -7.533 -0.465 1.00 0.00 C ATOM 255 CG1 ILE A 41 4.921 -7.166 0.872 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.323 -7.585 -1.568 1.00 0.00 C ATOM 257 CD1 ILE A 41 5.860 -8.228 1.402 1.00 0.00 C ATOM 0 H ILE A 41 2.295 -7.118 0.990 1.00 0.00 H new ATOM 0 HA ILE A 41 3.604 -5.517 -0.869 1.00 0.00 H new ATOM 0 HB ILE A 41 3.826 -8.522 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.470 -6.232 0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.137 -6.986 1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.095 -8.307 -1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.851 -7.886 -2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.773 -6.600 -1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.281 -7.900 2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.311 -9.158 1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.665 -8.392 0.686 1.00 0.00 H new ATOM 269 N THR A 42 1.862 -7.983 -2.248 1.00 0.00 N ATOM 270 CA THR A 42 1.260 -8.434 -3.498 1.00 0.00 C ATOM 271 C THR A 42 0.400 -7.344 -4.131 1.00 0.00 C ATOM 272 O THR A 42 0.661 -6.913 -5.255 1.00 0.00 O ATOM 273 CB THR A 42 0.396 -9.693 -3.287 1.00 0.00 C ATOM 274 OG1 THR A 42 1.182 -10.734 -2.692 1.00 0.00 O ATOM 275 CG2 THR A 42 -0.180 -10.182 -4.609 1.00 0.00 C ATOM 0 H THR A 42 1.676 -8.588 -1.448 1.00 0.00 H new ATOM 0 HA THR A 42 2.085 -8.674 -4.169 1.00 0.00 H new ATOM 0 HB THR A 42 -0.427 -9.433 -2.622 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.251 -10.581 -1.727 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.786 -11.071 -4.435 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.800 -9.400 -5.047 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.633 -10.425 -5.293 1.00 0.00 H new ATOM 283 N TRP A 43 -0.626 -6.903 -3.408 1.00 0.00 N ATOM 284 CA TRP A 43 -1.523 -5.866 -3.907 1.00 0.00 C ATOM 285 C TRP A 43 -0.748 -4.615 -4.307 1.00 0.00 C ATOM 286 O TRP A 43 -1.121 -3.918 -5.250 1.00 0.00 O ATOM 287 CB TRP A 43 -2.575 -5.511 -2.854 1.00 0.00 C ATOM 288 CG TRP A 43 -3.501 -4.419 -3.295 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.567 -4.541 -4.138 1.00 0.00 C ATOM 290 CD2 TRP A 43 -3.440 -3.038 -2.921 1.00 0.00 C ATOM 291 NE1 TRP A 43 -5.173 -3.322 -4.312 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.501 -2.383 -3.575 1.00 0.00 C ATOM 293 CE3 TRP A 43 -2.594 -2.291 -2.096 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.736 -1.019 -3.430 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.828 -0.936 -1.954 1.00 0.00 C ATOM 296 CH2 TRP A 43 -3.892 -0.312 -2.617 1.00 0.00 C ATOM 0 H TRP A 43 -0.856 -7.247 -2.476 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.024 -6.259 -4.791 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.158 -6.401 -2.617 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.073 -5.205 -1.936 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.887 -5.463 -4.601 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.991 -3.144 -4.895 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.772 -2.764 -1.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.555 -0.535 -3.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.179 -0.349 -1.321 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.050 0.748 -2.484 1.00 0.00 H new ATOM 307 N CYS A 44 0.330 -4.334 -3.582 1.00 0.00 N ATOM 308 CA CYS A 44 1.157 -3.167 -3.865 1.00 0.00 C ATOM 309 C CYS A 44 1.772 -3.272 -5.255 1.00 0.00 C ATOM 310 O CYS A 44 1.395 -2.542 -6.168 1.00 0.00 O ATOM 311 CB CYS A 44 2.261 -3.031 -2.813 1.00 0.00 C ATOM 312 SG CYS A 44 3.280 -1.551 -3.000 1.00 0.00 S ATOM 0 H CYS A 44 0.651 -4.898 -2.795 1.00 0.00 H new ATOM 0 HA CYS A 44 0.524 -2.281 -3.830 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.805 -3.023 -1.823 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.904 -3.910 -2.861 1.00 0.00 H new ATOM 0 HG CYS A 44 4.182 -1.524 -2.064 1.00 0.00 H new ATOM 318 N ILE A 45 2.716 -4.196 -5.403 1.00 0.00 N ATOM 319 CA ILE A 45 3.400 -4.417 -6.675 1.00 0.00 C ATOM 320 C ILE A 45 2.407 -4.638 -7.816 1.00 0.00 C ATOM 321 O ILE A 45 2.727 -4.410 -8.983 1.00 0.00 O ATOM 322 CB ILE A 45 4.333 -5.642 -6.583 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.287 -5.497 -5.396 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.114 -5.814 -7.877 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.053 -6.764 -5.077 1.00 0.00 C ATOM 0 H ILE A 45 3.028 -4.810 -4.650 1.00 0.00 H new ATOM 0 HA ILE A 45 3.984 -3.521 -6.884 1.00 0.00 H new ATOM 0 HB ILE A 45 3.723 -6.532 -6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.996 -4.696 -5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.717 -5.196 -4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.767 -6.683 -7.795 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.420 -5.959 -8.705 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.716 -4.924 -8.060 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.710 -6.587 -4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.351 -7.562 -4.835 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.650 -7.055 -5.941 1.00 0.00 H new ATOM 337 N SER A 46 1.202 -5.076 -7.470 1.00 0.00 N ATOM 338 CA SER A 46 0.169 -5.347 -8.465 1.00 0.00 C ATOM 339 C SER A 46 -0.281 -4.078 -9.188 1.00 0.00 C ATOM 340 O SER A 46 -0.916 -4.155 -10.241 1.00 0.00 O ATOM 341 CB SER A 46 -1.034 -6.019 -7.802 1.00 0.00 C ATOM 342 OG SER A 46 -2.048 -6.297 -8.751 1.00 0.00 O ATOM 0 H SER A 46 0.915 -5.251 -6.507 1.00 0.00 H new ATOM 0 HA SER A 46 0.602 -6.015 -9.209 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.718 -6.945 -7.321 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.431 -5.372 -7.020 1.00 0.00 H new ATOM 0 HG SER A 46 -1.893 -5.766 -9.560 1.00 0.00 H new ATOM 348 N THR A 47 0.044 -2.913 -8.633 1.00 0.00 N ATOM 349 CA THR A 47 -0.355 -1.650 -9.251 1.00 0.00 C ATOM 350 C THR A 47 0.405 -0.455 -8.677 1.00 0.00 C ATOM 351 O THR A 47 -0.052 0.683 -8.783 1.00 0.00 O ATOM 352 CB THR A 47 -1.869 -1.403 -9.076 1.00 0.00 C ATOM 353 OG1 THR A 47 -2.252 -0.191 -9.736 1.00 0.00 O ATOM 354 CG2 THR A 47 -2.244 -1.324 -7.601 1.00 0.00 C ATOM 0 H THR A 47 0.576 -2.816 -7.768 1.00 0.00 H new ATOM 0 HA THR A 47 -0.111 -1.740 -10.309 1.00 0.00 H new ATOM 0 HB THR A 47 -2.400 -2.243 -9.524 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.696 0.548 -9.411 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.316 -1.149 -7.507 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.984 -2.261 -7.109 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.700 -0.505 -7.131 1.00 0.00 H new ATOM 362 N LEU A 48 1.572 -0.699 -8.084 1.00 0.00 N ATOM 363 CA LEU A 48 2.351 0.391 -7.504 1.00 0.00 C ATOM 364 C LEU A 48 3.236 1.057 -8.555 1.00 0.00 C ATOM 365 O LEU A 48 2.974 2.186 -8.970 1.00 0.00 O ATOM 366 CB LEU A 48 3.216 -0.136 -6.351 1.00 0.00 C ATOM 367 CG LEU A 48 3.607 0.892 -5.279 1.00 0.00 C ATOM 368 CD1 LEU A 48 4.504 1.974 -5.857 1.00 0.00 C ATOM 369 CD2 LEU A 48 2.368 1.506 -4.646 1.00 0.00 C ATOM 0 H LEU A 48 1.992 -1.624 -7.993 1.00 0.00 H new ATOM 0 HA LEU A 48 1.655 1.138 -7.122 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.681 -0.952 -5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.129 -0.558 -6.771 1.00 0.00 H new ATOM 0 HG LEU A 48 4.168 0.369 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.764 2.687 -5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.413 1.520 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.979 2.492 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.667 2.231 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.777 2.005 -5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.771 0.722 -4.181 1.00 0.00 H new ATOM 381 N GLU A 49 4.282 0.355 -8.985 1.00 0.00 N ATOM 382 CA GLU A 49 5.192 0.894 -9.990 1.00 0.00 C ATOM 383 C GLU A 49 5.707 -0.184 -10.937 1.00 0.00 C ATOM 384 O GLU A 49 5.438 -0.150 -12.138 1.00 0.00 O ATOM 385 CB GLU A 49 6.371 1.600 -9.319 1.00 0.00 C ATOM 386 CG GLU A 49 6.044 3.002 -8.830 1.00 0.00 C ATOM 387 CD GLU A 49 5.741 3.960 -9.967 1.00 0.00 C ATOM 388 OE1 GLU A 49 4.562 4.050 -10.370 1.00 0.00 O ATOM 389 OE2 GLU A 49 6.683 4.621 -10.453 1.00 0.00 O ATOM 0 H GLU A 49 4.519 -0.581 -8.656 1.00 0.00 H new ATOM 0 HA GLU A 49 4.625 1.613 -10.582 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.710 1.000 -8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.200 1.655 -10.025 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.187 2.958 -8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.883 3.386 -8.250 1.00 0.00 H new ATOM 396 N VAL A 50 6.450 -1.141 -10.385 1.00 0.00 N ATOM 397 CA VAL A 50 7.040 -2.211 -11.185 1.00 0.00 C ATOM 398 C VAL A 50 6.378 -3.560 -10.926 1.00 0.00 C ATOM 399 O VAL A 50 5.319 -3.643 -10.305 1.00 0.00 O ATOM 400 CB VAL A 50 8.551 -2.340 -10.900 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.259 -1.017 -11.150 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.791 -2.816 -9.475 1.00 0.00 C ATOM 0 H VAL A 50 6.657 -1.197 -9.388 1.00 0.00 H new ATOM 0 HA VAL A 50 6.877 -1.939 -12.228 1.00 0.00 H new ATOM 0 HB VAL A 50 8.964 -3.083 -11.582 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.323 -1.129 -10.943 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.120 -0.721 -12.190 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.841 -0.251 -10.496 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.863 -2.900 -9.295 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.361 -2.100 -8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.322 -3.789 -9.333 1.00 0.00 H new ATOM 412 N GLU A 51 7.024 -4.613 -11.418 1.00 0.00 N ATOM 413 CA GLU A 51 6.532 -5.974 -11.255 1.00 0.00 C ATOM 414 C GLU A 51 7.270 -6.672 -10.119 1.00 0.00 C ATOM 415 O GLU A 51 8.025 -6.038 -9.381 1.00 0.00 O ATOM 416 CB GLU A 51 6.719 -6.755 -12.556 1.00 0.00 C ATOM 417 CG GLU A 51 8.133 -6.673 -13.110 1.00 0.00 C ATOM 418 CD GLU A 51 8.328 -7.538 -14.340 1.00 0.00 C ATOM 419 OE1 GLU A 51 8.089 -7.039 -15.460 1.00 0.00 O ATOM 420 OE2 GLU A 51 8.719 -8.713 -14.183 1.00 0.00 O ATOM 0 H GLU A 51 7.899 -4.546 -11.938 1.00 0.00 H new ATOM 0 HA GLU A 51 5.470 -5.935 -11.011 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.464 -7.801 -12.384 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.021 -6.376 -13.303 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.362 -5.637 -13.359 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.840 -6.980 -12.339 1.00 0.00 H new ATOM 427 N GLU A 52 7.055 -7.976 -9.976 1.00 0.00 N ATOM 428 CA GLU A 52 7.713 -8.732 -8.919 1.00 0.00 C ATOM 429 C GLU A 52 9.145 -9.087 -9.312 1.00 0.00 C ATOM 430 O GLU A 52 9.449 -10.234 -9.641 1.00 0.00 O ATOM 431 CB GLU A 52 6.921 -10.004 -8.604 1.00 0.00 C ATOM 432 CG GLU A 52 5.534 -9.732 -8.044 1.00 0.00 C ATOM 433 CD GLU A 52 4.767 -11.005 -7.744 1.00 0.00 C ATOM 434 OE1 GLU A 52 4.943 -11.558 -6.639 1.00 0.00 O ATOM 435 OE2 GLU A 52 3.991 -11.449 -8.616 1.00 0.00 O ATOM 0 H GLU A 52 6.437 -8.526 -10.573 1.00 0.00 H new ATOM 0 HA GLU A 52 7.749 -8.107 -8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.827 -10.598 -9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.482 -10.604 -7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.624 -9.143 -7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.969 -9.131 -8.757 1.00 0.00 H new ATOM 442 N THR A 53 10.015 -8.082 -9.283 1.00 0.00 N ATOM 443 CA THR A 53 11.423 -8.265 -9.614 1.00 0.00 C ATOM 444 C THR A 53 12.298 -7.394 -8.718 1.00 0.00 C ATOM 445 O THR A 53 13.375 -7.805 -8.284 1.00 0.00 O ATOM 446 CB THR A 53 11.710 -7.931 -11.083 1.00 0.00 C ATOM 447 OG1 THR A 53 13.113 -8.048 -11.352 1.00 0.00 O ATOM 448 CG2 THR A 53 11.242 -6.532 -11.392 1.00 0.00 C ATOM 0 H THR A 53 9.766 -7.125 -9.031 1.00 0.00 H new ATOM 0 HA THR A 53 11.659 -9.316 -9.449 1.00 0.00 H new ATOM 0 HB THR A 53 11.171 -8.636 -11.716 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.285 -7.834 -12.293 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.449 -6.302 -12.437 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.170 -6.458 -11.210 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.768 -5.823 -10.753 1.00 0.00 H new ATOM 456 N ASP A 54 11.812 -6.186 -8.453 1.00 0.00 N ATOM 457 CA ASP A 54 12.519 -5.223 -7.619 1.00 0.00 C ATOM 458 C ASP A 54 12.460 -5.632 -6.144 1.00 0.00 C ATOM 459 O ASP A 54 11.455 -6.178 -5.689 1.00 0.00 O ATOM 460 CB ASP A 54 11.898 -3.835 -7.815 1.00 0.00 C ATOM 461 CG ASP A 54 12.540 -2.770 -6.948 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.543 -2.171 -7.390 1.00 0.00 O ATOM 463 OD2 ASP A 54 12.040 -2.532 -5.829 1.00 0.00 O ATOM 0 H ASP A 54 10.918 -5.848 -8.810 1.00 0.00 H new ATOM 0 HA ASP A 54 13.568 -5.197 -7.916 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.990 -3.547 -8.862 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.833 -3.885 -7.590 1.00 0.00 H new ATOM 468 N PRO A 55 13.540 -5.375 -5.375 1.00 0.00 N ATOM 469 CA PRO A 55 13.605 -5.719 -3.944 1.00 0.00 C ATOM 470 C PRO A 55 12.490 -5.082 -3.113 1.00 0.00 C ATOM 471 O PRO A 55 12.433 -5.274 -1.898 1.00 0.00 O ATOM 472 CB PRO A 55 14.972 -5.182 -3.496 1.00 0.00 C ATOM 473 CG PRO A 55 15.385 -4.223 -4.559 1.00 0.00 C ATOM 474 CD PRO A 55 14.791 -4.746 -5.833 1.00 0.00 C ATOM 0 HA PRO A 55 13.479 -6.792 -3.798 1.00 0.00 H new ATOM 0 HB2 PRO A 55 14.902 -4.689 -2.527 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.697 -5.989 -3.391 1.00 0.00 H new ATOM 0 HG2 PRO A 55 15.022 -3.218 -4.342 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.471 -4.162 -4.630 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.603 -3.947 -6.550 1.00 0.00 H new ATOM 0 HD3 PRO A 55 15.450 -5.464 -6.322 1.00 0.00 H new ATOM 482 N LEU A 56 11.617 -4.316 -3.766 1.00 0.00 N ATOM 483 CA LEU A 56 10.502 -3.658 -3.085 1.00 0.00 C ATOM 484 C LEU A 56 9.798 -4.617 -2.126 1.00 0.00 C ATOM 485 O LEU A 56 9.298 -4.208 -1.077 1.00 0.00 O ATOM 486 CB LEU A 56 9.502 -3.123 -4.114 1.00 0.00 C ATOM 487 CG LEU A 56 8.247 -2.462 -3.534 1.00 0.00 C ATOM 488 CD1 LEU A 56 8.596 -1.145 -2.857 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.213 -2.242 -4.628 1.00 0.00 C ATOM 0 H LEU A 56 11.661 -4.135 -4.769 1.00 0.00 H new ATOM 0 HA LEU A 56 10.903 -2.828 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.013 -2.398 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.193 -3.947 -4.757 1.00 0.00 H new ATOM 0 HG LEU A 56 7.823 -3.128 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.691 -0.693 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.303 -1.328 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.045 -0.469 -3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.327 -1.772 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.631 -1.595 -5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.939 -3.201 -5.068 1.00 0.00 H new ATOM 501 N CYS A 57 9.765 -5.894 -2.494 1.00 0.00 N ATOM 502 CA CYS A 57 9.126 -6.916 -1.671 1.00 0.00 C ATOM 503 C CYS A 57 9.979 -7.253 -0.452 1.00 0.00 C ATOM 504 O CYS A 57 9.466 -7.388 0.658 1.00 0.00 O ATOM 505 CB CYS A 57 8.878 -8.179 -2.497 1.00 0.00 C ATOM 506 SG CYS A 57 8.291 -9.591 -1.531 1.00 0.00 S ATOM 0 H CYS A 57 10.174 -6.247 -3.359 1.00 0.00 H new ATOM 0 HA CYS A 57 8.172 -6.520 -1.323 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.146 -7.954 -3.273 1.00 0.00 H new ATOM 0 HB3 CYS A 57 9.803 -8.457 -3.002 1.00 0.00 H new ATOM 0 HG CYS A 57 8.109 -10.609 -2.318 1.00 0.00 H new ATOM 512 N GLN A 58 11.283 -7.388 -0.670 1.00 0.00 N ATOM 513 CA GLN A 58 12.214 -7.710 0.408 1.00 0.00 C ATOM 514 C GLN A 58 12.189 -6.639 1.496 1.00 0.00 C ATOM 515 O GLN A 58 12.333 -6.943 2.680 1.00 0.00 O ATOM 516 CB GLN A 58 13.632 -7.858 -0.146 1.00 0.00 C ATOM 517 CG GLN A 58 13.802 -9.039 -1.090 1.00 0.00 C ATOM 518 CD GLN A 58 14.117 -10.337 -0.366 1.00 0.00 C ATOM 519 OE1 GLN A 58 14.794 -11.210 -0.908 1.00 0.00 O ATOM 520 NE2 GLN A 58 13.631 -10.471 0.864 1.00 0.00 N ATOM 0 H GLN A 58 11.721 -7.279 -1.585 1.00 0.00 H new ATOM 0 HA GLN A 58 11.901 -8.655 0.852 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.904 -6.943 -0.671 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.328 -7.967 0.686 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.889 -9.166 -1.672 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.603 -8.820 -1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.074 -9.723 1.277 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.815 -11.322 1.395 1.00 0.00 H new ATOM 529 N ARG A 59 12.006 -5.388 1.086 1.00 0.00 N ATOM 530 CA ARG A 59 11.964 -4.273 2.027 1.00 0.00 C ATOM 531 C ARG A 59 10.691 -4.309 2.866 1.00 0.00 C ATOM 532 O ARG A 59 10.746 -4.263 4.095 1.00 0.00 O ATOM 533 CB ARG A 59 12.056 -2.942 1.277 1.00 0.00 C ATOM 534 CG ARG A 59 13.390 -2.722 0.584 1.00 0.00 C ATOM 535 CD ARG A 59 14.524 -2.564 1.586 1.00 0.00 C ATOM 536 NE ARG A 59 15.803 -2.310 0.930 1.00 0.00 N ATOM 537 CZ ARG A 59 16.885 -1.868 1.567 1.00 0.00 C ATOM 538 NH1 ARG A 59 16.842 -1.635 2.873 1.00 0.00 N ATOM 539 NH2 ARG A 59 18.010 -1.661 0.899 1.00 0.00 N ATOM 0 H ARG A 59 11.884 -5.120 0.109 1.00 0.00 H new ATOM 0 HA ARG A 59 12.819 -4.367 2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.259 -2.898 0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.883 -2.127 1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.601 -3.564 -0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.332 -1.833 -0.044 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.296 -1.743 2.265 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.601 -3.467 2.192 1.00 0.00 H new ATOM 0 HE ARG A 59 15.871 -2.481 -0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.978 -1.795 3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.673 -1.296 3.358 1.00 0.00 H new ATOM 0 HH21 ARG A 59 18.048 -1.840 -0.104 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.839 -1.322 1.388 1.00 0.00 H new ATOM 553 N LEU A 60 9.545 -4.387 2.194 1.00 0.00 N ATOM 554 CA LEU A 60 8.258 -4.430 2.881 1.00 0.00 C ATOM 555 C LEU A 60 8.205 -5.592 3.869 1.00 0.00 C ATOM 556 O LEU A 60 7.777 -5.427 5.011 1.00 0.00 O ATOM 557 CB LEU A 60 7.117 -4.552 1.868 1.00 0.00 C ATOM 558 CG LEU A 60 6.924 -3.341 0.952 1.00 0.00 C ATOM 559 CD1 LEU A 60 5.843 -3.620 -0.081 1.00 0.00 C ATOM 560 CD2 LEU A 60 6.573 -2.104 1.766 1.00 0.00 C ATOM 0 H LEU A 60 9.482 -4.422 1.177 1.00 0.00 H new ATOM 0 HA LEU A 60 8.142 -3.500 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.296 -5.431 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.188 -4.728 2.411 1.00 0.00 H new ATOM 0 HG LEU A 60 7.862 -3.155 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.720 -2.748 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.132 -4.479 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.902 -3.833 0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.440 -1.254 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.649 -2.281 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.379 -1.890 2.468 1.00 0.00 H new ATOM 572 N ARG A 61 8.643 -6.766 3.423 1.00 0.00 N ATOM 573 CA ARG A 61 8.649 -7.952 4.274 1.00 0.00 C ATOM 574 C ARG A 61 9.584 -7.759 5.464 1.00 0.00 C ATOM 575 O ARG A 61 9.307 -8.234 6.565 1.00 0.00 O ATOM 576 CB ARG A 61 9.066 -9.186 3.469 1.00 0.00 C ATOM 577 CG ARG A 61 9.165 -10.453 4.303 1.00 0.00 C ATOM 578 CD ARG A 61 9.424 -11.676 3.436 1.00 0.00 C ATOM 579 NE ARG A 61 8.290 -11.979 2.568 1.00 0.00 N ATOM 580 CZ ARG A 61 8.216 -13.064 1.800 1.00 0.00 C ATOM 581 NH1 ARG A 61 9.211 -13.940 1.785 1.00 0.00 N ATOM 582 NH2 ARG A 61 7.144 -13.273 1.047 1.00 0.00 N ATOM 0 H ARG A 61 8.998 -6.921 2.479 1.00 0.00 H new ATOM 0 HA ARG A 61 7.638 -8.105 4.651 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.347 -9.345 2.666 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.031 -8.994 2.999 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.968 -10.347 5.033 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.241 -10.593 4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.312 -11.508 2.827 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.633 -12.535 4.074 1.00 0.00 H new ATOM 0 HE ARG A 61 7.510 -11.322 2.549 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.037 -13.784 2.363 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.151 -14.770 1.195 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.376 -12.602 1.056 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.088 -14.104 0.459 1.00 0.00 H new ATOM 596 N GLU A 62 10.693 -7.059 5.233 1.00 0.00 N ATOM 597 CA GLU A 62 11.663 -6.800 6.291 1.00 0.00 C ATOM 598 C GLU A 62 10.998 -6.083 7.459 1.00 0.00 C ATOM 599 O GLU A 62 11.094 -6.521 8.606 1.00 0.00 O ATOM 600 CB GLU A 62 12.827 -5.963 5.754 1.00 0.00 C ATOM 601 CG GLU A 62 13.898 -5.669 6.792 1.00 0.00 C ATOM 602 CD GLU A 62 14.999 -4.776 6.257 1.00 0.00 C ATOM 603 OE1 GLU A 62 14.866 -3.539 6.364 1.00 0.00 O ATOM 604 OE2 GLU A 62 15.996 -5.314 5.728 1.00 0.00 O ATOM 0 H GLU A 62 10.940 -6.663 4.326 1.00 0.00 H new ATOM 0 HA GLU A 62 12.051 -7.756 6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.282 -6.487 4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.438 -5.020 5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.438 -5.193 7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.332 -6.608 7.137 1.00 0.00 H new ATOM 611 N ASN A 63 10.325 -4.978 7.158 1.00 0.00 N ATOM 612 CA ASN A 63 9.633 -4.203 8.179 1.00 0.00 C ATOM 613 C ASN A 63 8.138 -4.500 8.158 1.00 0.00 C ATOM 614 O ASN A 63 7.375 -3.844 7.448 1.00 0.00 O ATOM 615 CB ASN A 63 9.874 -2.708 7.964 1.00 0.00 C ATOM 616 CG ASN A 63 11.347 -2.373 7.832 1.00 0.00 C ATOM 617 OD1 ASN A 63 12.202 -3.043 8.413 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.653 -1.333 7.065 1.00 0.00 N ATOM 0 H ASN A 63 10.244 -4.599 6.214 1.00 0.00 H new ATOM 0 HA ASN A 63 10.030 -4.488 9.153 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.349 -2.384 7.066 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.451 -2.151 8.800 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.628 -1.062 6.939 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.913 -0.805 6.602 1.00 0.00 H new ATOM 625 N ASP A 64 7.729 -5.504 8.929 1.00 0.00 N ATOM 626 CA ASP A 64 6.324 -5.891 9.003 1.00 0.00 C ATOM 627 C ASP A 64 5.450 -4.709 9.418 1.00 0.00 C ATOM 628 O ASP A 64 5.490 -4.265 10.566 1.00 0.00 O ATOM 629 CB ASP A 64 6.143 -7.051 9.986 1.00 0.00 C ATOM 630 CG ASP A 64 6.717 -6.748 11.357 1.00 0.00 C ATOM 631 OD1 ASP A 64 7.939 -6.925 11.540 1.00 0.00 O ATOM 632 OD2 ASP A 64 5.943 -6.338 12.247 1.00 0.00 O ATOM 0 H ASP A 64 8.351 -6.064 9.511 1.00 0.00 H new ATOM 0 HA ASP A 64 6.011 -6.215 8.010 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.081 -7.278 10.083 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.624 -7.942 9.583 1.00 0.00 H new ATOM 637 N ILE A 65 4.666 -4.200 8.472 1.00 0.00 N ATOM 638 CA ILE A 65 3.783 -3.069 8.732 1.00 0.00 C ATOM 639 C ILE A 65 2.373 -3.347 8.219 1.00 0.00 C ATOM 640 O ILE A 65 2.169 -3.582 7.027 1.00 0.00 O ATOM 641 CB ILE A 65 4.316 -1.778 8.074 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.678 -1.400 8.665 1.00 0.00 C ATOM 643 CG2 ILE A 65 3.323 -0.635 8.240 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.639 -1.086 10.147 1.00 0.00 C ATOM 0 H ILE A 65 4.625 -4.554 7.516 1.00 0.00 H new ATOM 0 HA ILE A 65 3.752 -2.929 9.813 1.00 0.00 H new ATOM 0 HB ILE A 65 4.441 -1.964 7.007 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.377 -2.219 8.496 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.067 -0.534 8.130 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.721 0.264 7.768 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.377 -0.904 7.770 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.160 -0.446 9.301 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.641 -0.828 10.491 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.967 -0.246 10.323 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.281 -1.958 10.694 1.00 0.00 H new ATOM 656 N VAL A 66 1.403 -3.316 9.127 1.00 0.00 N ATOM 657 CA VAL A 66 0.011 -3.563 8.768 1.00 0.00 C ATOM 658 C VAL A 66 -0.592 -2.365 8.046 1.00 0.00 C ATOM 659 O VAL A 66 -0.028 -1.270 8.061 1.00 0.00 O ATOM 660 CB VAL A 66 -0.843 -3.877 10.009 1.00 0.00 C ATOM 661 CG1 VAL A 66 -0.440 -5.213 10.611 1.00 0.00 C ATOM 662 CG2 VAL A 66 -0.721 -2.764 11.039 1.00 0.00 C ATOM 0 H VAL A 66 1.555 -3.122 10.117 1.00 0.00 H new ATOM 0 HA VAL A 66 0.007 -4.427 8.103 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.886 -3.943 9.700 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.055 -5.417 11.487 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.585 -6.003 9.874 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.609 -5.178 10.904 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.332 -3.005 11.909 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.321 -2.663 11.344 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.064 -1.826 10.603 1.00 0.00 H new ATOM 672 N GLY A 67 -1.741 -2.581 7.416 1.00 0.00 N ATOM 673 CA GLY A 67 -2.405 -1.510 6.701 1.00 0.00 C ATOM 674 C GLY A 67 -2.956 -0.452 7.638 1.00 0.00 C ATOM 675 O GLY A 67 -3.370 0.621 7.200 1.00 0.00 O ATOM 0 H GLY A 67 -2.224 -3.479 7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.703 -1.048 6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.218 -1.923 6.104 1.00 0.00 H new ATOM 679 N ASP A 68 -2.960 -0.759 8.932 1.00 0.00 N ATOM 680 CA ASP A 68 -3.463 0.170 9.937 1.00 0.00 C ATOM 681 C ASP A 68 -2.447 1.272 10.226 1.00 0.00 C ATOM 682 O ASP A 68 -2.765 2.265 10.881 1.00 0.00 O ATOM 683 CB ASP A 68 -3.799 -0.579 11.229 1.00 0.00 C ATOM 684 CG ASP A 68 -4.400 0.327 12.283 1.00 0.00 C ATOM 685 OD1 ASP A 68 -5.621 0.586 12.218 1.00 0.00 O ATOM 686 OD2 ASP A 68 -3.652 0.779 13.175 1.00 0.00 O ATOM 0 H ASP A 68 -2.620 -1.644 9.309 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.368 0.633 9.543 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.497 -1.386 11.007 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.894 -1.040 11.624 1.00 0.00 H new ATOM 691 N LEU A 69 -1.224 1.092 9.733 1.00 0.00 N ATOM 692 CA LEU A 69 -0.163 2.070 9.950 1.00 0.00 C ATOM 693 C LEU A 69 0.096 2.895 8.693 1.00 0.00 C ATOM 694 O LEU A 69 0.788 3.910 8.741 1.00 0.00 O ATOM 695 CB LEU A 69 1.124 1.364 10.384 1.00 0.00 C ATOM 696 CG LEU A 69 0.987 0.470 11.618 1.00 0.00 C ATOM 697 CD1 LEU A 69 2.273 -0.302 11.863 1.00 0.00 C ATOM 698 CD2 LEU A 69 0.621 1.300 12.840 1.00 0.00 C ATOM 0 H LEU A 69 -0.944 0.280 9.182 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.488 2.747 10.740 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.486 0.758 9.553 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.885 2.119 10.583 1.00 0.00 H new ATOM 0 HG LEU A 69 0.186 -0.246 11.436 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.157 -0.932 12.745 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.493 -0.926 10.997 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.093 0.398 12.023 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.528 0.648 13.708 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.400 2.040 13.024 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.327 1.808 12.664 1.00 0.00 H new ATOM 710 N LEU A 70 -0.465 2.454 7.572 1.00 0.00 N ATOM 711 CA LEU A 70 -0.290 3.153 6.302 1.00 0.00 C ATOM 712 C LEU A 70 -0.771 4.608 6.382 1.00 0.00 C ATOM 713 O LEU A 70 -0.040 5.520 5.996 1.00 0.00 O ATOM 714 CB LEU A 70 -1.023 2.416 5.177 1.00 0.00 C ATOM 715 CG LEU A 70 -0.439 1.052 4.801 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.335 0.347 3.795 1.00 0.00 C ATOM 717 CD2 LEU A 70 0.967 1.210 4.239 1.00 0.00 C ATOM 0 H LEU A 70 -1.044 1.616 7.516 1.00 0.00 H new ATOM 0 HA LEU A 70 0.778 3.167 6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.063 2.279 5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.024 3.050 4.290 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.385 0.442 5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.904 -0.621 3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.324 0.201 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.420 0.955 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.366 0.230 3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.935 1.838 3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.608 1.675 4.988 1.00 0.00 H new ATOM 729 N PRO A 71 -2.001 4.856 6.883 1.00 0.00 N ATOM 730 CA PRO A 71 -2.541 6.216 6.986 1.00 0.00 C ATOM 731 C PRO A 71 -1.994 6.982 8.187 1.00 0.00 C ATOM 732 O PRO A 71 -2.326 8.151 8.388 1.00 0.00 O ATOM 733 CB PRO A 71 -4.039 5.975 7.146 1.00 0.00 C ATOM 734 CG PRO A 71 -4.131 4.673 7.862 1.00 0.00 C ATOM 735 CD PRO A 71 -2.963 3.848 7.385 1.00 0.00 C ATOM 0 HA PRO A 71 -2.273 6.827 6.124 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -4.512 6.776 7.715 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.540 5.933 6.179 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.090 4.819 8.941 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.075 4.174 7.643 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.536 3.255 8.193 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.259 3.152 6.600 1.00 0.00 H new ATOM 743 N GLU A 72 -1.155 6.323 8.982 1.00 0.00 N ATOM 744 CA GLU A 72 -0.573 6.952 10.165 1.00 0.00 C ATOM 745 C GLU A 72 0.926 7.184 9.992 1.00 0.00 C ATOM 746 O GLU A 72 1.643 7.410 10.967 1.00 0.00 O ATOM 747 CB GLU A 72 -0.829 6.089 11.403 1.00 0.00 C ATOM 748 CG GLU A 72 -2.305 5.879 11.704 1.00 0.00 C ATOM 749 CD GLU A 72 -2.535 5.164 13.020 1.00 0.00 C ATOM 750 OE1 GLU A 72 -2.372 3.926 13.061 1.00 0.00 O ATOM 751 OE2 GLU A 72 -2.878 5.841 14.012 1.00 0.00 O ATOM 0 H GLU A 72 -0.864 5.357 8.830 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.052 7.922 10.297 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.353 5.118 11.264 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.354 6.556 12.266 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.808 6.845 11.727 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.758 5.303 10.897 1.00 0.00 H new ATOM 758 N LEU A 73 1.394 7.130 8.749 1.00 0.00 N ATOM 759 CA LEU A 73 2.810 7.338 8.455 1.00 0.00 C ATOM 760 C LEU A 73 2.994 8.405 7.380 1.00 0.00 C ATOM 761 O LEU A 73 2.078 8.689 6.609 1.00 0.00 O ATOM 762 CB LEU A 73 3.460 6.027 8.007 1.00 0.00 C ATOM 763 CG LEU A 73 3.629 4.974 9.105 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.138 3.668 8.516 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.577 5.473 10.186 1.00 0.00 C ATOM 0 H LEU A 73 0.816 6.944 7.930 1.00 0.00 H new ATOM 0 HA LEU A 73 3.296 7.682 9.368 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.860 5.598 7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.441 6.251 7.587 1.00 0.00 H new ATOM 0 HG LEU A 73 2.654 4.794 9.559 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.252 2.931 9.311 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.425 3.299 7.779 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.102 3.837 8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.684 4.710 10.957 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.552 5.683 9.746 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.175 6.384 10.630 1.00 0.00 H new ATOM 777 N CYS A 74 4.189 8.991 7.335 1.00 0.00 N ATOM 778 CA CYS A 74 4.498 10.030 6.358 1.00 0.00 C ATOM 779 C CYS A 74 5.262 9.455 5.170 1.00 0.00 C ATOM 780 O CYS A 74 5.439 8.242 5.060 1.00 0.00 O ATOM 781 CB CYS A 74 5.320 11.142 7.014 1.00 0.00 C ATOM 782 SG CYS A 74 4.484 11.964 8.392 1.00 0.00 S ATOM 0 H CYS A 74 4.959 8.763 7.964 1.00 0.00 H new ATOM 0 HA CYS A 74 3.557 10.443 5.995 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.260 10.721 7.372 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.571 11.887 6.259 1.00 0.00 H new ATOM 0 HG CYS A 74 5.259 12.886 8.882 1.00 0.00 H new ATOM 788 N LEU A 75 5.712 10.338 4.282 1.00 0.00 N ATOM 789 CA LEU A 75 6.459 9.923 3.099 1.00 0.00 C ATOM 790 C LEU A 75 7.844 9.412 3.479 1.00 0.00 C ATOM 791 O LEU A 75 8.471 8.669 2.723 1.00 0.00 O ATOM 792 CB LEU A 75 6.585 11.091 2.112 1.00 0.00 C ATOM 793 CG LEU A 75 5.341 11.374 1.261 1.00 0.00 C ATOM 794 CD1 LEU A 75 5.008 10.181 0.378 1.00 0.00 C ATOM 795 CD2 LEU A 75 4.153 11.734 2.143 1.00 0.00 C ATOM 0 H LEU A 75 5.572 11.345 4.360 1.00 0.00 H new ATOM 0 HA LEU A 75 5.911 9.110 2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.833 11.992 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.423 10.891 1.444 1.00 0.00 H new ATOM 0 HG LEU A 75 5.560 12.226 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.122 10.404 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.848 9.974 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.815 9.309 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.282 11.931 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.936 10.905 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.389 12.624 2.726 1.00 0.00 H new ATOM 807 N GLN A 76 8.316 9.813 4.655 1.00 0.00 N ATOM 808 CA GLN A 76 9.627 9.394 5.137 1.00 0.00 C ATOM 809 C GLN A 76 9.664 7.888 5.379 1.00 0.00 C ATOM 810 O GLN A 76 10.485 7.177 4.800 1.00 0.00 O ATOM 811 CB GLN A 76 9.984 10.137 6.427 1.00 0.00 C ATOM 812 CG GLN A 76 11.308 9.700 7.032 1.00 0.00 C ATOM 813 CD GLN A 76 11.633 10.428 8.318 1.00 0.00 C ATOM 814 OE1 GLN A 76 10.741 10.825 9.067 1.00 0.00 O ATOM 815 NE2 GLN A 76 12.921 10.604 8.578 1.00 0.00 N ATOM 0 H GLN A 76 7.810 10.428 5.292 1.00 0.00 H new ATOM 0 HA GLN A 76 10.361 9.639 4.370 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.023 11.207 6.222 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.191 9.981 7.158 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.278 8.628 7.224 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.107 9.872 6.310 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.625 10.257 7.926 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.208 11.086 9.430 1.00 0.00 H new ATOM 824 N ASP A 77 8.768 7.409 6.238 1.00 0.00 N ATOM 825 CA ASP A 77 8.697 5.987 6.555 1.00 0.00 C ATOM 826 C ASP A 77 8.485 5.157 5.293 1.00 0.00 C ATOM 827 O ASP A 77 8.934 4.013 5.208 1.00 0.00 O ATOM 828 CB ASP A 77 7.565 5.721 7.549 1.00 0.00 C ATOM 829 CG ASP A 77 7.750 6.475 8.851 1.00 0.00 C ATOM 830 OD1 ASP A 77 7.285 7.631 8.938 1.00 0.00 O ATOM 831 OD2 ASP A 77 8.359 5.910 9.784 1.00 0.00 O ATOM 0 H ASP A 77 8.082 7.985 6.726 1.00 0.00 H new ATOM 0 HA ASP A 77 9.645 5.694 7.006 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.615 6.007 7.098 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.510 4.652 7.756 1.00 0.00 H new ATOM 836 N CYS A 78 7.800 5.742 4.314 1.00 0.00 N ATOM 837 CA CYS A 78 7.533 5.060 3.053 1.00 0.00 C ATOM 838 C CYS A 78 8.777 5.051 2.175 1.00 0.00 C ATOM 839 O CYS A 78 8.974 4.141 1.371 1.00 0.00 O ATOM 840 CB CYS A 78 6.378 5.740 2.316 1.00 0.00 C ATOM 841 SG CYS A 78 4.824 5.760 3.238 1.00 0.00 S ATOM 0 H CYS A 78 7.420 6.687 4.371 1.00 0.00 H new ATOM 0 HA CYS A 78 7.254 4.029 3.273 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.663 6.766 2.084 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.218 5.231 1.366 1.00 0.00 H new ATOM 0 HG CYS A 78 4.839 6.740 4.092 1.00 0.00 H new ATOM 847 N GLN A 79 9.614 6.073 2.333 1.00 0.00 N ATOM 848 CA GLN A 79 10.841 6.176 1.556 1.00 0.00 C ATOM 849 C GLN A 79 11.863 5.160 2.051 1.00 0.00 C ATOM 850 O GLN A 79 12.669 4.644 1.275 1.00 0.00 O ATOM 851 CB GLN A 79 11.414 7.592 1.638 1.00 0.00 C ATOM 852 CG GLN A 79 12.484 7.872 0.595 1.00 0.00 C ATOM 853 CD GLN A 79 13.021 9.289 0.675 1.00 0.00 C ATOM 854 OE1 GLN A 79 13.994 9.557 1.380 1.00 0.00 O ATOM 855 NE2 GLN A 79 12.387 10.204 -0.050 1.00 0.00 N ATOM 0 H GLN A 79 9.464 6.838 2.990 1.00 0.00 H new ATOM 0 HA GLN A 79 10.609 5.961 0.513 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.604 8.311 1.519 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.835 7.748 2.631 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.306 7.168 0.725 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.071 7.700 -0.399 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.585 9.937 -0.620 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.703 11.174 -0.037 1.00 0.00 H new ATOM 864 N ASP A 80 11.825 4.880 3.353 1.00 0.00 N ATOM 865 CA ASP A 80 12.731 3.910 3.955 1.00 0.00 C ATOM 866 C ASP A 80 12.418 2.517 3.429 1.00 0.00 C ATOM 867 O ASP A 80 13.241 1.606 3.502 1.00 0.00 O ATOM 868 CB ASP A 80 12.594 3.933 5.478 1.00 0.00 C ATOM 869 CG ASP A 80 13.588 3.015 6.163 1.00 0.00 C ATOM 870 OD1 ASP A 80 13.274 1.817 6.328 1.00 0.00 O ATOM 871 OD2 ASP A 80 14.679 3.495 6.535 1.00 0.00 O ATOM 0 H ASP A 80 11.175 5.313 4.009 1.00 0.00 H new ATOM 0 HA ASP A 80 13.755 4.172 3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.738 4.952 5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.582 3.638 5.753 1.00 0.00 H new ATOM 876 N LEU A 81 11.209 2.372 2.900 1.00 0.00 N ATOM 877 CA LEU A 81 10.745 1.115 2.350 1.00 0.00 C ATOM 878 C LEU A 81 11.239 0.937 0.917 1.00 0.00 C ATOM 879 O LEU A 81 11.158 -0.154 0.352 1.00 0.00 O ATOM 880 CB LEU A 81 9.218 1.086 2.409 1.00 0.00 C ATOM 881 CG LEU A 81 8.617 0.294 3.577 1.00 0.00 C ATOM 882 CD1 LEU A 81 9.407 0.522 4.859 1.00 0.00 C ATOM 883 CD2 LEU A 81 7.164 0.688 3.782 1.00 0.00 C ATOM 0 H LEU A 81 10.526 3.127 2.843 1.00 0.00 H new ATOM 0 HA LEU A 81 11.146 0.289 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.854 2.112 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.844 0.664 1.476 1.00 0.00 H new ATOM 0 HG LEU A 81 8.669 -0.766 3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.958 -0.052 5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.438 0.199 4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.391 1.582 5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.747 0.120 4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.104 1.753 4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.598 0.474 2.876 1.00 0.00 H new ATOM 895 N CYS A 82 11.747 2.020 0.336 1.00 0.00 N ATOM 896 CA CYS A 82 12.266 1.990 -1.027 1.00 0.00 C ATOM 897 C CYS A 82 13.786 2.130 -1.025 1.00 0.00 C ATOM 898 O CYS A 82 14.381 2.508 -0.014 1.00 0.00 O ATOM 899 CB CYS A 82 11.635 3.108 -1.860 1.00 0.00 C ATOM 900 SG CYS A 82 12.081 3.069 -3.611 1.00 0.00 S ATOM 0 H CYS A 82 11.810 2.931 0.790 1.00 0.00 H new ATOM 0 HA CYS A 82 12.007 1.030 -1.473 1.00 0.00 H new ATOM 0 HB2 CYS A 82 10.550 3.044 -1.771 1.00 0.00 H new ATOM 0 HB3 CYS A 82 11.933 4.070 -1.442 1.00 0.00 H new ATOM 0 HG CYS A 82 11.535 2.033 -4.175 1.00 0.00 H new ATOM 906 N ASP A 83 14.409 1.821 -2.158 1.00 0.00 N ATOM 907 CA ASP A 83 15.860 1.911 -2.285 1.00 0.00 C ATOM 908 C ASP A 83 16.352 3.336 -2.036 1.00 0.00 C ATOM 909 O ASP A 83 17.535 3.556 -1.773 1.00 0.00 O ATOM 910 CB ASP A 83 16.299 1.442 -3.672 1.00 0.00 C ATOM 911 CG ASP A 83 15.915 0.000 -3.940 1.00 0.00 C ATOM 912 OD1 ASP A 83 16.713 -0.900 -3.601 1.00 0.00 O ATOM 913 OD2 ASP A 83 14.816 -0.231 -4.487 1.00 0.00 O ATOM 0 H ASP A 83 13.931 1.506 -3.002 1.00 0.00 H new ATOM 0 HA ASP A 83 16.303 1.262 -1.529 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.848 2.083 -4.429 1.00 0.00 H new ATOM 0 HB3 ASP A 83 17.380 1.551 -3.765 1.00 0.00 H new ATOM 918 N GLY A 84 15.437 4.298 -2.119 1.00 0.00 N ATOM 919 CA GLY A 84 15.798 5.688 -1.900 1.00 0.00 C ATOM 920 C GLY A 84 15.242 6.606 -2.970 1.00 0.00 C ATOM 921 O GLY A 84 15.922 7.528 -3.421 1.00 0.00 O ATOM 0 H GLY A 84 14.453 4.140 -2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.430 6.007 -0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.884 5.779 -1.876 1.00 0.00 H new ATOM 925 N ASP A 85 14.002 6.353 -3.376 1.00 0.00 N ATOM 926 CA ASP A 85 13.352 7.162 -4.401 1.00 0.00 C ATOM 927 C ASP A 85 12.093 7.826 -3.851 1.00 0.00 C ATOM 928 O ASP A 85 11.127 7.150 -3.500 1.00 0.00 O ATOM 929 CB ASP A 85 13.002 6.296 -5.613 1.00 0.00 C ATOM 930 CG ASP A 85 12.428 7.108 -6.758 1.00 0.00 C ATOM 931 OD1 ASP A 85 13.133 8.009 -7.258 1.00 0.00 O ATOM 932 OD2 ASP A 85 11.276 6.840 -7.156 1.00 0.00 O ATOM 0 H ASP A 85 13.427 5.594 -3.011 1.00 0.00 H new ATOM 0 HA ASP A 85 14.046 7.944 -4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 85 13.896 5.774 -5.954 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.282 5.533 -5.315 1.00 0.00 H new ATOM 937 N LEU A 86 12.115 9.155 -3.780 1.00 0.00 N ATOM 938 CA LEU A 86 10.976 9.914 -3.271 1.00 0.00 C ATOM 939 C LEU A 86 9.735 9.681 -4.126 1.00 0.00 C ATOM 940 O LEU A 86 8.634 9.507 -3.604 1.00 0.00 O ATOM 941 CB LEU A 86 11.309 11.408 -3.229 1.00 0.00 C ATOM 942 CG LEU A 86 10.158 12.319 -2.794 1.00 0.00 C ATOM 943 CD1 LEU A 86 9.737 12.011 -1.364 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.559 13.780 -2.931 1.00 0.00 C ATOM 0 H LEU A 86 12.908 9.728 -4.068 1.00 0.00 H new ATOM 0 HA LEU A 86 10.765 9.566 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.147 11.558 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.642 11.718 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 86 9.305 12.131 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.918 12.670 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.409 10.974 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.582 12.168 -0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.731 14.416 -2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.427 13.980 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.807 13.993 -3.971 1.00 0.00 H new ATOM 956 N ASN A 87 9.923 9.683 -5.444 1.00 0.00 N ATOM 957 CA ASN A 87 8.823 9.472 -6.381 1.00 0.00 C ATOM 958 C ASN A 87 8.046 8.209 -6.030 1.00 0.00 C ATOM 959 O ASN A 87 6.815 8.217 -5.978 1.00 0.00 O ATOM 960 CB ASN A 87 9.365 9.365 -7.806 1.00 0.00 C ATOM 961 CG ASN A 87 8.283 9.535 -8.853 1.00 0.00 C ATOM 962 OD1 ASN A 87 8.008 10.647 -9.305 1.00 0.00 O ATOM 963 ND2 ASN A 87 7.660 8.429 -9.245 1.00 0.00 N ATOM 0 H ASN A 87 10.830 9.829 -5.888 1.00 0.00 H new ATOM 0 HA ASN A 87 8.147 10.324 -6.313 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.134 10.123 -7.957 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.844 8.395 -7.937 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.922 8.481 -9.947 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.920 7.528 -8.844 1.00 0.00 H new ATOM 970 N LYS A 88 8.778 7.127 -5.795 1.00 0.00 N ATOM 971 CA LYS A 88 8.173 5.845 -5.445 1.00 0.00 C ATOM 972 C LYS A 88 7.261 5.985 -4.228 1.00 0.00 C ATOM 973 O LYS A 88 6.177 5.403 -4.183 1.00 0.00 O ATOM 974 CB LYS A 88 9.268 4.808 -5.172 1.00 0.00 C ATOM 975 CG LYS A 88 8.747 3.481 -4.637 1.00 0.00 C ATOM 976 CD LYS A 88 7.856 2.769 -5.647 1.00 0.00 C ATOM 977 CE LYS A 88 8.667 1.977 -6.662 1.00 0.00 C ATOM 978 NZ LYS A 88 9.493 2.857 -7.533 1.00 0.00 N ATOM 0 H LYS A 88 9.797 7.111 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 88 7.565 5.510 -6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.818 4.625 -6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.977 5.223 -4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.589 2.838 -4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.187 3.655 -3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.177 2.097 -5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.240 3.502 -6.168 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.316 1.275 -6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.993 1.386 -7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.669 2.381 -8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.988 3.750 -7.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.400 3.056 -7.065 1.00 0.00 H new ATOM 992 N ALA A 89 7.704 6.764 -3.246 1.00 0.00 N ATOM 993 CA ALA A 89 6.925 6.978 -2.032 1.00 0.00 C ATOM 994 C ALA A 89 5.663 7.783 -2.323 1.00 0.00 C ATOM 995 O ALA A 89 4.641 7.612 -1.660 1.00 0.00 O ATOM 996 CB ALA A 89 7.768 7.674 -0.973 1.00 0.00 C ATOM 0 H ALA A 89 8.597 7.257 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 89 6.622 6.003 -1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.170 7.826 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.634 7.057 -0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.104 8.639 -1.352 1.00 0.00 H new ATOM 1002 N ILE A 90 5.741 8.664 -3.317 1.00 0.00 N ATOM 1003 CA ILE A 90 4.599 9.489 -3.696 1.00 0.00 C ATOM 1004 C ILE A 90 3.452 8.621 -4.201 1.00 0.00 C ATOM 1005 O ILE A 90 2.355 8.643 -3.645 1.00 0.00 O ATOM 1006 CB ILE A 90 4.978 10.519 -4.782 1.00 0.00 C ATOM 1007 CG1 ILE A 90 6.075 11.453 -4.264 1.00 0.00 C ATOM 1008 CG2 ILE A 90 3.751 11.315 -5.209 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.606 12.415 -5.308 1.00 0.00 C ATOM 0 H ILE A 90 6.581 8.824 -3.873 1.00 0.00 H new ATOM 0 HA ILE A 90 4.281 10.028 -2.803 1.00 0.00 H new ATOM 0 HB ILE A 90 5.360 9.987 -5.653 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.684 12.025 -3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.901 10.852 -3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.034 12.037 -5.975 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.999 10.636 -5.611 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.341 11.842 -4.347 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.379 13.043 -4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.029 11.852 -6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.793 13.043 -5.671 1.00 0.00 H new ATOM 1021 N LYS A 91 3.715 7.856 -5.257 1.00 0.00 N ATOM 1022 CA LYS A 91 2.707 6.970 -5.830 1.00 0.00 C ATOM 1023 C LYS A 91 2.182 6.004 -4.772 1.00 0.00 C ATOM 1024 O LYS A 91 1.025 5.586 -4.814 1.00 0.00 O ATOM 1025 CB LYS A 91 3.294 6.183 -7.003 1.00 0.00 C ATOM 1026 CG LYS A 91 3.685 7.048 -8.190 1.00 0.00 C ATOM 1027 CD LYS A 91 2.465 7.611 -8.901 1.00 0.00 C ATOM 1028 CE LYS A 91 2.851 8.340 -10.177 1.00 0.00 C ATOM 1029 NZ LYS A 91 1.658 8.837 -10.918 1.00 0.00 N ATOM 0 H LYS A 91 4.617 7.832 -5.733 1.00 0.00 H new ATOM 0 HA LYS A 91 1.880 7.582 -6.191 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.172 5.637 -6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.566 5.441 -7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.319 7.867 -7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.275 6.458 -8.891 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.775 6.801 -9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.938 8.295 -8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.502 9.180 -9.932 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.423 7.670 -10.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.966 9.328 -11.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.049 8.034 -11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.125 9.497 -10.316 1.00 0.00 H new ATOM 1043 N PHE A 92 3.048 5.655 -3.826 1.00 0.00 N ATOM 1044 CA PHE A 92 2.683 4.744 -2.749 1.00 0.00 C ATOM 1045 C PHE A 92 1.553 5.329 -1.909 1.00 0.00 C ATOM 1046 O PHE A 92 0.460 4.766 -1.842 1.00 0.00 O ATOM 1047 CB PHE A 92 3.908 4.456 -1.874 1.00 0.00 C ATOM 1048 CG PHE A 92 3.683 3.412 -0.816 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.144 2.175 -1.138 1.00 0.00 C ATOM 1050 CD2 PHE A 92 4.024 3.665 0.504 1.00 0.00 C ATOM 1051 CE1 PHE A 92 2.946 1.214 -0.167 1.00 0.00 C ATOM 1052 CE2 PHE A 92 3.828 2.707 1.481 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.288 1.480 1.145 1.00 0.00 C ATOM 0 H PHE A 92 4.010 5.991 -3.784 1.00 0.00 H new ATOM 0 HA PHE A 92 2.331 3.809 -3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.730 4.136 -2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.221 5.382 -1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.876 1.961 -2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.448 4.622 0.772 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.524 0.256 -0.432 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.097 2.917 2.506 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.134 0.730 1.907 1.00 0.00 H new ATOM 1063 N LYS A 93 1.822 6.468 -1.279 1.00 0.00 N ATOM 1064 CA LYS A 93 0.828 7.138 -0.447 1.00 0.00 C ATOM 1065 C LYS A 93 -0.430 7.453 -1.252 1.00 0.00 C ATOM 1066 O LYS A 93 -1.527 7.541 -0.699 1.00 0.00 O ATOM 1067 CB LYS A 93 1.413 8.425 0.143 1.00 0.00 C ATOM 1068 CG LYS A 93 0.399 9.284 0.887 1.00 0.00 C ATOM 1069 CD LYS A 93 -0.179 8.561 2.096 1.00 0.00 C ATOM 1070 CE LYS A 93 0.857 8.385 3.195 1.00 0.00 C ATOM 1071 NZ LYS A 93 1.347 9.694 3.709 1.00 0.00 N ATOM 0 H LYS A 93 2.721 6.947 -1.329 1.00 0.00 H new ATOM 0 HA LYS A 93 0.555 6.467 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.222 8.164 0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.852 9.015 -0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.875 10.209 1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.409 9.561 0.209 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.029 9.123 2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.555 7.585 1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.423 7.812 4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.698 7.807 2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.802 9.555 4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.036 10.094 3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.545 10.348 3.812 1.00 0.00 H new ATOM 1085 N ILE A 94 -0.264 7.621 -2.561 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.386 7.927 -3.440 1.00 0.00 C ATOM 1087 C ILE A 94 -2.453 6.838 -3.389 1.00 0.00 C ATOM 1088 O ILE A 94 -3.552 7.064 -2.883 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.928 8.117 -4.902 1.00 0.00 C ATOM 1090 CG1 ILE A 94 -0.296 9.502 -5.081 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -2.101 7.927 -5.856 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.216 9.767 -6.481 1.00 0.00 C ATOM 0 H ILE A 94 0.636 7.550 -3.035 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.814 8.862 -3.077 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.176 7.363 -5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.033 10.263 -4.824 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.529 9.608 -4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.761 8.064 -6.882 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.506 6.922 -5.739 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.876 8.659 -5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.648 10.767 -6.527 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.978 9.030 -6.735 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.609 9.695 -7.190 1.00 0.00 H new ATOM 1104 N LEU A 95 -2.130 5.663 -3.927 1.00 0.00 N ATOM 1105 CA LEU A 95 -3.075 4.553 -3.945 1.00 0.00 C ATOM 1106 C LEU A 95 -3.603 4.278 -2.547 1.00 0.00 C ATOM 1107 O LEU A 95 -4.746 3.846 -2.373 1.00 0.00 O ATOM 1108 CB LEU A 95 -2.421 3.294 -4.521 1.00 0.00 C ATOM 1109 CG LEU A 95 -2.045 3.373 -6.004 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -1.495 2.040 -6.489 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -3.250 3.788 -6.840 1.00 0.00 C ATOM 0 H LEU A 95 -1.226 5.458 -4.353 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.912 4.831 -4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.521 3.076 -3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.101 2.454 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.268 4.128 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.234 2.117 -7.544 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.606 1.782 -5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.250 1.265 -6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.964 3.839 -7.891 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.048 3.056 -6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.601 4.766 -6.512 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.768 4.540 -1.551 1.00 0.00 N ATOM 1124 CA ILE A 96 -3.157 4.329 -0.170 1.00 0.00 C ATOM 1125 C ILE A 96 -4.244 5.317 0.237 1.00 0.00 C ATOM 1126 O ILE A 96 -5.122 4.996 1.040 1.00 0.00 O ATOM 1127 CB ILE A 96 -1.951 4.455 0.782 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -0.903 3.394 0.440 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.395 4.322 2.232 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.455 3.661 1.049 1.00 0.00 C ATOM 0 H ILE A 96 -1.821 4.898 -1.676 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.548 3.315 -0.091 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.506 5.442 0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.259 2.422 0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.800 3.334 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.529 4.414 2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.113 5.108 2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.862 3.348 2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.145 2.867 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.833 4.618 0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.367 3.691 2.135 1.00 0.00 H new ATOM 1142 N ASN A 97 -4.179 6.518 -0.327 1.00 0.00 N ATOM 1143 CA ASN A 97 -5.164 7.552 -0.039 1.00 0.00 C ATOM 1144 C ASN A 97 -6.508 7.186 -0.659 1.00 0.00 C ATOM 1145 O ASN A 97 -7.563 7.498 -0.107 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.688 8.905 -0.571 1.00 0.00 C ATOM 1147 CG ASN A 97 -5.685 10.015 -0.301 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -6.573 10.278 -1.113 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -5.542 10.674 0.842 1.00 0.00 N ATOM 0 H ASN A 97 -3.454 6.799 -0.987 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.284 7.626 1.042 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.733 9.158 -0.110 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.514 8.830 -1.644 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.182 11.432 1.077 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.792 10.422 1.485 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.460 6.521 -1.814 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.675 6.100 -2.503 1.00 0.00 C ATOM 1158 C LYS A 98 -8.479 5.145 -1.630 1.00 0.00 C ATOM 1159 O LYS A 98 -9.663 5.369 -1.377 1.00 0.00 O ATOM 1160 CB LYS A 98 -7.338 5.426 -3.837 1.00 0.00 C ATOM 1161 CG LYS A 98 -7.148 6.398 -4.990 1.00 0.00 C ATOM 1162 CD LYS A 98 -5.849 7.176 -4.861 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.634 8.099 -6.049 1.00 0.00 C ATOM 1164 NZ LYS A 98 -5.640 7.356 -7.339 1.00 0.00 N ATOM 0 H LYS A 98 -5.595 6.264 -2.289 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.274 6.988 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.427 4.839 -3.716 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.136 4.728 -4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.152 5.850 -5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.987 7.093 -5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.864 7.761 -3.942 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.013 6.481 -4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.415 8.859 -6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.684 8.621 -5.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.903 7.740 -7.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.452 6.349 -7.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.569 7.459 -7.795 1.00 0.00 H new ATOM 1178 N MET A 99 -7.828 4.078 -1.174 1.00 0.00 N ATOM 1179 CA MET A 99 -8.488 3.093 -0.323 1.00 0.00 C ATOM 1180 C MET A 99 -8.876 3.713 1.018 1.00 0.00 C ATOM 1181 O MET A 99 -9.859 3.308 1.638 1.00 0.00 O ATOM 1182 CB MET A 99 -7.579 1.882 -0.098 1.00 0.00 C ATOM 1183 CG MET A 99 -8.194 0.820 0.800 1.00 0.00 C ATOM 1184 SD MET A 99 -7.186 -0.670 0.911 1.00 0.00 S ATOM 1185 CE MET A 99 -7.364 -1.324 -0.747 1.00 0.00 C ATOM 0 H MET A 99 -6.850 3.874 -1.378 1.00 0.00 H new ATOM 0 HA MET A 99 -9.395 2.761 -0.829 1.00 0.00 H new ATOM 0 HB2 MET A 99 -7.337 1.435 -1.062 1.00 0.00 H new ATOM 0 HB3 MET A 99 -6.640 2.219 0.342 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.335 1.233 1.799 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.182 0.558 0.421 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.779 -2.331 -0.698 1.00 0.00 H new ATOM 0 HE2 MET A 99 -8.033 -0.683 -1.321 1.00 0.00 H new ATOM 0 HE3 MET A 99 -6.388 -1.356 -1.232 1.00 0.00 H new ATOM 1195 N ARG A 100 -8.097 4.699 1.455 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.360 5.379 2.719 1.00 0.00 C ATOM 1197 C ARG A 100 -9.732 6.042 2.696 1.00 0.00 C ATOM 1198 O ARG A 100 -10.535 5.865 3.614 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.278 6.423 2.999 1.00 0.00 C ATOM 1200 CG ARG A 100 -7.434 7.114 4.344 1.00 0.00 C ATOM 1201 CD ARG A 100 -6.277 8.059 4.624 1.00 0.00 C ATOM 1202 NE ARG A 100 -6.391 8.684 5.939 1.00 0.00 N ATOM 1203 CZ ARG A 100 -5.376 9.261 6.573 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -4.174 9.302 6.012 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -5.561 9.800 7.770 1.00 0.00 N ATOM 0 H ARG A 100 -7.279 5.044 0.953 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.346 4.635 3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.301 5.942 2.958 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.296 7.174 2.209 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.371 7.670 4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -7.493 6.365 5.134 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.337 7.510 4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.245 8.832 3.856 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.302 8.677 6.397 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.027 8.890 5.091 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.397 9.746 6.502 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -6.483 9.772 8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -4.781 10.243 8.256 1.00 0.00 H new ATOM 1219 N ASP A 101 -9.995 6.809 1.641 1.00 0.00 N ATOM 1220 CA ASP A 101 -11.274 7.495 1.494 1.00 0.00 C ATOM 1221 C ASP A 101 -12.415 6.487 1.410 1.00 0.00 C ATOM 1222 O ASP A 101 -13.427 6.624 2.098 1.00 0.00 O ATOM 1223 CB ASP A 101 -11.264 8.378 0.243 1.00 0.00 C ATOM 1224 CG ASP A 101 -12.586 9.089 0.027 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -12.759 10.199 0.573 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -13.447 8.535 -0.688 1.00 0.00 O ATOM 0 H ASP A 101 -9.340 6.970 0.876 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.427 8.125 2.370 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.467 9.117 0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -11.037 7.765 -0.629 1.00 0.00 H new