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 93 LYS NZ :NH3+ 177:sc= -0.822 (180deg=-0.29) USER MOD Set 1.2: A 97 ASN : amide:sc= -0.611 K(o=-1.4,f=-0.41) USER MOD Set 2.1: A 82 CYS SG : rot 60:sc= -1.05 USER MOD Set 2.2: A 88 LYS NZ :NH3+ 157:sc= -0.0994 (180deg=-0.808) USER MOD Single : A 34 GLN : amide:sc= -1.32! K(o=-1.3!,f=-0.038) USER MOD Single : A 36 SER OG : rot 180:sc= -0.205 USER MOD Single : A 42 THR OG1 : rot 82:sc= 0.994 USER MOD Single : A 44 CYS SG : rot 113:sc= -0.687 USER MOD Single : A 46 SER OG : rot -30:sc= 0.299 USER MOD Single : A 47 THR OG1 : rot -54:sc= 1.22 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.66! USER MOD Single : A 58 GLN : amide:sc= -0.309 K(o=-0.31,f=-1.4) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -3.98! K(o=-4!,f=-2.7) USER MOD Single : A 78 CYS SG : rot -109:sc= -0.255 USER MOD Single : A 79 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.54) USER MOD Single : A 87 ASN : amide:sc= -0.305 X(o=-0.3,f=-0.024) USER MOD Single : A 91 LYS NZ :NH3+ -163:sc= -0.094 (180deg=-0.465) USER MOD Single : A 98 LYS NZ :NH3+ 168:sc= -0.0214 (180deg=-0.182) USER MOD Single : A 99 MET CE :methyl 157:sc= -0.122 (180deg=-0.663) USER MOD ----------------------------------------------------------------- ATOM 142 N GLN A 34 -6.960 -5.710 8.607 1.00 0.00 N ATOM 143 CA GLN A 34 -6.352 -6.878 9.240 1.00 0.00 C ATOM 144 C GLN A 34 -5.558 -7.710 8.231 1.00 0.00 C ATOM 145 O GLN A 34 -5.442 -8.928 8.373 1.00 0.00 O ATOM 146 CB GLN A 34 -7.431 -7.738 9.902 1.00 0.00 C ATOM 147 CG GLN A 34 -6.885 -8.730 10.917 1.00 0.00 C ATOM 148 CD GLN A 34 -7.978 -9.481 11.653 1.00 0.00 C ATOM 149 OE1 GLN A 34 -7.799 -10.636 12.042 1.00 0.00 O ATOM 150 NE2 GLN A 34 -9.117 -8.827 11.855 1.00 0.00 N ATOM 0 HA GLN A 34 -5.657 -6.525 10.002 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.151 -7.085 10.396 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.973 -8.283 9.129 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.239 -9.445 10.408 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.265 -8.199 11.640 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.223 -7.871 11.516 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.885 -9.281 12.349 1.00 0.00 H new ATOM 159 N TRP A 35 -5.005 -7.049 7.219 1.00 0.00 N ATOM 160 CA TRP A 35 -4.216 -7.741 6.203 1.00 0.00 C ATOM 161 C TRP A 35 -2.874 -8.192 6.772 1.00 0.00 C ATOM 162 O TRP A 35 -2.557 -7.919 7.929 1.00 0.00 O ATOM 163 CB TRP A 35 -3.985 -6.836 4.988 1.00 0.00 C ATOM 164 CG TRP A 35 -5.018 -6.982 3.908 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.093 -7.828 3.895 1.00 0.00 C ATOM 166 CD2 TRP A 35 -5.069 -6.255 2.674 1.00 0.00 C ATOM 167 NE1 TRP A 35 -6.806 -7.669 2.733 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.199 -6.709 1.966 1.00 0.00 C ATOM 169 CE3 TRP A 35 -4.270 -5.262 2.100 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.547 -6.205 0.716 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.618 -4.762 0.859 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.747 -5.233 0.179 1.00 0.00 C ATOM 0 H TRP A 35 -5.087 -6.042 7.080 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.777 -8.621 5.888 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.967 -5.798 5.320 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.003 -7.054 4.568 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.344 -8.521 4.685 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.651 -8.182 2.481 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.397 -4.892 2.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.417 -6.568 0.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -4.008 -3.994 0.406 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.992 -4.821 -0.789 1.00 0.00 H new ATOM 183 N SER A 36 -2.092 -8.882 5.949 1.00 0.00 N ATOM 184 CA SER A 36 -0.782 -9.369 6.365 1.00 0.00 C ATOM 185 C SER A 36 0.314 -8.785 5.480 1.00 0.00 C ATOM 186 O SER A 36 0.030 -8.078 4.513 1.00 0.00 O ATOM 187 CB SER A 36 -0.741 -10.898 6.310 1.00 0.00 C ATOM 188 OG SER A 36 0.506 -11.393 6.767 1.00 0.00 O ATOM 0 H SER A 36 -2.343 -9.117 4.989 1.00 0.00 H new ATOM 0 HA SER A 36 -0.608 -9.048 7.392 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.545 -11.308 6.922 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.916 -11.233 5.288 1.00 0.00 H new ATOM 0 HG SER A 36 0.505 -12.372 6.723 1.00 0.00 H new ATOM 194 N VAL A 37 1.563 -9.088 5.816 1.00 0.00 N ATOM 195 CA VAL A 37 2.701 -8.592 5.052 1.00 0.00 C ATOM 196 C VAL A 37 2.616 -9.021 3.590 1.00 0.00 C ATOM 197 O VAL A 37 2.837 -8.217 2.684 1.00 0.00 O ATOM 198 CB VAL A 37 4.034 -9.089 5.648 1.00 0.00 C ATOM 199 CG1 VAL A 37 5.209 -8.638 4.795 1.00 0.00 C ATOM 200 CG2 VAL A 37 4.193 -8.600 7.079 1.00 0.00 C ATOM 0 H VAL A 37 1.813 -9.675 6.612 1.00 0.00 H new ATOM 0 HA VAL A 37 2.669 -7.504 5.107 1.00 0.00 H new ATOM 0 HB VAL A 37 4.019 -10.179 5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.138 -9.000 5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.103 -9.041 3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.229 -7.549 4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.139 -8.960 7.484 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.183 -7.510 7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.371 -8.979 7.686 1.00 0.00 H new ATOM 210 N ASP A 38 2.291 -10.290 3.368 1.00 0.00 N ATOM 211 CA ASP A 38 2.183 -10.830 2.016 1.00 0.00 C ATOM 212 C ASP A 38 1.053 -10.161 1.237 1.00 0.00 C ATOM 213 O ASP A 38 1.129 -10.019 0.017 1.00 0.00 O ATOM 214 CB ASP A 38 1.953 -12.341 2.069 1.00 0.00 C ATOM 215 CG ASP A 38 1.912 -12.969 0.691 1.00 0.00 C ATOM 216 OD1 ASP A 38 0.812 -13.045 0.104 1.00 0.00 O ATOM 217 OD2 ASP A 38 2.981 -13.384 0.196 1.00 0.00 O ATOM 0 H ASP A 38 2.097 -10.965 4.107 1.00 0.00 H new ATOM 0 HA ASP A 38 3.120 -10.623 1.499 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.747 -12.806 2.653 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.015 -12.545 2.586 1.00 0.00 H new ATOM 222 N ASP A 39 0.006 -9.752 1.948 1.00 0.00 N ATOM 223 CA ASP A 39 -1.141 -9.107 1.317 1.00 0.00 C ATOM 224 C ASP A 39 -0.810 -7.682 0.886 1.00 0.00 C ATOM 225 O ASP A 39 -1.242 -7.229 -0.175 1.00 0.00 O ATOM 226 CB ASP A 39 -2.336 -9.099 2.272 1.00 0.00 C ATOM 227 CG ASP A 39 -2.839 -10.495 2.582 1.00 0.00 C ATOM 228 OD1 ASP A 39 -2.266 -11.148 3.478 1.00 0.00 O ATOM 229 OD2 ASP A 39 -3.806 -10.936 1.924 1.00 0.00 O ATOM 0 H ASP A 39 -0.072 -9.856 2.960 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.396 -9.680 0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.052 -8.604 3.201 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.144 -8.514 1.833 1.00 0.00 H new ATOM 234 N VAL A 40 -0.040 -6.978 1.710 1.00 0.00 N ATOM 235 CA VAL A 40 0.340 -5.601 1.411 1.00 0.00 C ATOM 236 C VAL A 40 1.372 -5.542 0.288 1.00 0.00 C ATOM 237 O VAL A 40 1.316 -4.662 -0.571 1.00 0.00 O ATOM 238 CB VAL A 40 0.904 -4.889 2.656 1.00 0.00 C ATOM 239 CG1 VAL A 40 1.304 -3.460 2.324 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.111 -4.914 3.788 1.00 0.00 C ATOM 0 H VAL A 40 0.333 -7.337 2.589 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.566 -5.088 1.090 1.00 0.00 H new ATOM 0 HB VAL A 40 1.796 -5.423 2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.699 -2.976 3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.068 -3.467 1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.432 -2.911 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.303 -4.407 4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.022 -4.406 3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.343 -5.947 4.046 1.00 0.00 H new ATOM 250 N ILE A 41 2.313 -6.481 0.299 1.00 0.00 N ATOM 251 CA ILE A 41 3.359 -6.528 -0.717 1.00 0.00 C ATOM 252 C ILE A 41 2.780 -6.802 -2.101 1.00 0.00 C ATOM 253 O ILE A 41 3.022 -6.049 -3.045 1.00 0.00 O ATOM 254 CB ILE A 41 4.411 -7.608 -0.389 1.00 0.00 C ATOM 255 CG1 ILE A 41 5.151 -7.254 0.903 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.394 -7.763 -1.542 1.00 0.00 C ATOM 257 CD1 ILE A 41 6.051 -8.361 1.409 1.00 0.00 C ATOM 0 H ILE A 41 2.373 -7.219 1.000 1.00 0.00 H new ATOM 0 HA ILE A 41 3.838 -5.549 -0.719 1.00 0.00 H new ATOM 0 HB ILE A 41 3.898 -8.559 -0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.750 -6.359 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.421 -7.009 1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.129 -8.529 -1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.855 -8.056 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.903 -6.815 -1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.543 -8.039 2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.455 -9.251 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.804 -8.591 0.655 1.00 0.00 H new ATOM 269 N THR A 42 2.018 -7.884 -2.217 1.00 0.00 N ATOM 270 CA THR A 42 1.412 -8.262 -3.490 1.00 0.00 C ATOM 271 C THR A 42 0.532 -7.147 -4.047 1.00 0.00 C ATOM 272 O THR A 42 0.710 -6.719 -5.187 1.00 0.00 O ATOM 273 CB THR A 42 0.572 -9.544 -3.357 1.00 0.00 C ATOM 274 OG1 THR A 42 1.348 -10.578 -2.738 1.00 0.00 O ATOM 275 CG2 THR A 42 0.091 -10.015 -4.721 1.00 0.00 C ATOM 0 H THR A 42 1.805 -8.516 -1.445 1.00 0.00 H new ATOM 0 HA THR A 42 2.235 -8.444 -4.181 1.00 0.00 H new ATOM 0 HB THR A 42 -0.296 -9.321 -2.736 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.331 -10.462 -1.765 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.501 -10.923 -4.605 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.522 -9.238 -5.179 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.951 -10.222 -5.358 1.00 0.00 H new ATOM 283 N TRP A 43 -0.420 -6.684 -3.240 1.00 0.00 N ATOM 284 CA TRP A 43 -1.328 -5.622 -3.660 1.00 0.00 C ATOM 285 C TRP A 43 -0.559 -4.380 -4.102 1.00 0.00 C ATOM 286 O TRP A 43 -0.835 -3.811 -5.159 1.00 0.00 O ATOM 287 CB TRP A 43 -2.293 -5.261 -2.527 1.00 0.00 C ATOM 288 CG TRP A 43 -3.136 -4.059 -2.830 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.306 -4.033 -3.532 1.00 0.00 C ATOM 290 CD2 TRP A 43 -2.869 -2.706 -2.446 1.00 0.00 C ATOM 291 NE1 TRP A 43 -4.784 -2.747 -3.608 1.00 0.00 N ATOM 292 CE2 TRP A 43 -3.918 -1.914 -2.948 1.00 0.00 C ATOM 293 CE3 TRP A 43 -1.843 -2.087 -1.725 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -3.971 -0.537 -2.753 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -1.897 -0.721 -1.531 1.00 0.00 C ATOM 296 CH2 TRP A 43 -2.954 0.042 -2.043 1.00 0.00 C ATOM 0 H TRP A 43 -0.582 -7.028 -2.293 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.900 -5.993 -4.511 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.944 -6.112 -2.328 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.722 -5.076 -1.617 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.787 -4.898 -3.965 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.642 -2.459 -4.078 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.023 -2.667 -1.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.785 0.053 -3.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.111 -0.232 -0.975 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.967 1.109 -1.874 1.00 0.00 H new ATOM 307 N CYS A 44 0.402 -3.964 -3.285 1.00 0.00 N ATOM 308 CA CYS A 44 1.212 -2.789 -3.587 1.00 0.00 C ATOM 309 C CYS A 44 1.864 -2.908 -4.960 1.00 0.00 C ATOM 310 O CYS A 44 1.537 -2.161 -5.878 1.00 0.00 O ATOM 311 CB CYS A 44 2.286 -2.598 -2.515 1.00 0.00 C ATOM 312 SG CYS A 44 3.462 -1.273 -2.872 1.00 0.00 S ATOM 0 H CYS A 44 0.640 -4.424 -2.406 1.00 0.00 H new ATOM 0 HA CYS A 44 0.554 -1.920 -3.595 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.799 -2.390 -1.562 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.834 -3.533 -2.395 1.00 0.00 H new ATOM 0 HG CYS A 44 3.303 -0.309 -2.015 1.00 0.00 H new ATOM 318 N ILE A 45 2.781 -3.860 -5.086 1.00 0.00 N ATOM 319 CA ILE A 45 3.498 -4.091 -6.338 1.00 0.00 C ATOM 320 C ILE A 45 2.539 -4.285 -7.512 1.00 0.00 C ATOM 321 O ILE A 45 2.860 -3.942 -8.651 1.00 0.00 O ATOM 322 CB ILE A 45 4.402 -5.333 -6.221 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.394 -5.164 -5.067 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.138 -5.584 -7.529 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.180 -6.419 -4.754 1.00 0.00 C ATOM 0 H ILE A 45 3.048 -4.490 -4.330 1.00 0.00 H new ATOM 0 HA ILE A 45 4.105 -3.206 -6.526 1.00 0.00 H new ATOM 0 HB ILE A 45 3.774 -6.199 -6.011 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.090 -4.361 -5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.851 -4.854 -4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.771 -6.465 -7.427 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.415 -5.748 -8.328 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.756 -4.719 -7.771 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.862 -6.224 -3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.493 -7.219 -4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.752 -6.719 -5.632 1.00 0.00 H new ATOM 337 N SER A 46 1.362 -4.828 -7.227 1.00 0.00 N ATOM 338 CA SER A 46 0.363 -5.087 -8.260 1.00 0.00 C ATOM 339 C SER A 46 -0.115 -3.802 -8.934 1.00 0.00 C ATOM 340 O SER A 46 -0.776 -3.852 -9.972 1.00 0.00 O ATOM 341 CB SER A 46 -0.832 -5.835 -7.667 1.00 0.00 C ATOM 342 OG SER A 46 -1.802 -6.116 -8.660 1.00 0.00 O ATOM 0 H SER A 46 1.074 -5.099 -6.287 1.00 0.00 H new ATOM 0 HA SER A 46 0.841 -5.704 -9.022 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.493 -6.766 -7.212 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.282 -5.238 -6.874 1.00 0.00 H new ATOM 0 HG SER A 46 -1.773 -5.422 -9.351 1.00 0.00 H new ATOM 348 N THR A 47 0.215 -2.652 -8.351 1.00 0.00 N ATOM 349 CA THR A 47 -0.207 -1.374 -8.919 1.00 0.00 C ATOM 350 C THR A 47 0.647 -0.209 -8.423 1.00 0.00 C ATOM 351 O THR A 47 0.221 0.944 -8.484 1.00 0.00 O ATOM 352 CB THR A 47 -1.686 -1.086 -8.587 1.00 0.00 C ATOM 353 OG1 THR A 47 -2.097 0.150 -9.183 1.00 0.00 O ATOM 354 CG2 THR A 47 -1.904 -1.029 -7.082 1.00 0.00 C ATOM 0 H THR A 47 0.766 -2.578 -7.496 1.00 0.00 H new ATOM 0 HA THR A 47 -0.079 -1.461 -9.998 1.00 0.00 H new ATOM 0 HB THR A 47 -2.288 -1.899 -8.994 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.481 0.863 -8.914 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.954 -0.825 -6.874 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.625 -1.984 -6.638 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.289 -0.237 -6.655 1.00 0.00 H new ATOM 362 N LEU A 48 1.857 -0.497 -7.949 1.00 0.00 N ATOM 363 CA LEU A 48 2.729 0.563 -7.452 1.00 0.00 C ATOM 364 C LEU A 48 3.586 1.138 -8.574 1.00 0.00 C ATOM 365 O LEU A 48 3.362 2.263 -9.019 1.00 0.00 O ATOM 366 CB LEU A 48 3.633 0.027 -6.335 1.00 0.00 C ATOM 367 CG LEU A 48 4.034 1.044 -5.259 1.00 0.00 C ATOM 368 CD1 LEU A 48 4.886 2.157 -5.849 1.00 0.00 C ATOM 369 CD2 LEU A 48 2.799 1.616 -4.579 1.00 0.00 C ATOM 0 H LEU A 48 2.250 -1.437 -7.899 1.00 0.00 H new ATOM 0 HA LEU A 48 2.098 1.358 -7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.125 -0.806 -5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.541 -0.373 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 48 4.632 0.525 -4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.156 2.864 -5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.792 1.732 -6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.322 2.675 -6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.103 2.336 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.173 2.113 -5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.235 0.809 -4.110 1.00 0.00 H new ATOM 381 N GLU A 49 4.565 0.362 -9.030 1.00 0.00 N ATOM 382 CA GLU A 49 5.445 0.805 -10.104 1.00 0.00 C ATOM 383 C GLU A 49 5.846 -0.345 -11.021 1.00 0.00 C ATOM 384 O GLU A 49 5.566 -0.326 -12.220 1.00 0.00 O ATOM 385 CB GLU A 49 6.695 1.471 -9.529 1.00 0.00 C ATOM 386 CG GLU A 49 6.444 2.870 -8.989 1.00 0.00 C ATOM 387 CD GLU A 49 6.062 3.854 -10.077 1.00 0.00 C ATOM 388 OE1 GLU A 49 4.854 3.977 -10.370 1.00 0.00 O ATOM 389 OE2 GLU A 49 6.971 4.502 -10.637 1.00 0.00 O ATOM 0 H GLU A 49 4.768 -0.572 -8.674 1.00 0.00 H new ATOM 0 HA GLU A 49 4.890 1.530 -10.699 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.093 0.847 -8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.459 1.521 -10.304 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.649 2.831 -8.244 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.340 3.226 -8.481 1.00 0.00 H new ATOM 396 N VAL A 50 6.503 -1.348 -10.444 1.00 0.00 N ATOM 397 CA VAL A 50 6.982 -2.496 -11.207 1.00 0.00 C ATOM 398 C VAL A 50 6.288 -3.792 -10.793 1.00 0.00 C ATOM 399 O VAL A 50 5.236 -3.774 -10.155 1.00 0.00 O ATOM 400 CB VAL A 50 8.504 -2.669 -11.032 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.242 -1.432 -11.521 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.844 -2.957 -9.577 1.00 0.00 C ATOM 0 H VAL A 50 6.716 -1.388 -9.447 1.00 0.00 H new ATOM 0 HA VAL A 50 6.746 -2.295 -12.252 1.00 0.00 H new ATOM 0 HB VAL A 50 8.826 -3.519 -11.634 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.315 -1.573 -11.389 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.024 -1.272 -12.577 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.917 -0.564 -10.948 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.922 -3.076 -9.472 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.508 -2.128 -8.954 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.345 -3.873 -9.261 1.00 0.00 H new ATOM 412 N GLU A 51 6.894 -4.915 -11.173 1.00 0.00 N ATOM 413 CA GLU A 51 6.358 -6.234 -10.851 1.00 0.00 C ATOM 414 C GLU A 51 7.085 -6.827 -9.649 1.00 0.00 C ATOM 415 O GLU A 51 7.892 -6.151 -9.011 1.00 0.00 O ATOM 416 CB GLU A 51 6.504 -7.166 -12.053 1.00 0.00 C ATOM 417 CG GLU A 51 7.937 -7.303 -12.539 1.00 0.00 C ATOM 418 CD GLU A 51 8.104 -8.414 -13.557 1.00 0.00 C ATOM 419 OE1 GLU A 51 8.251 -9.583 -13.143 1.00 0.00 O ATOM 420 OE2 GLU A 51 8.086 -8.116 -14.769 1.00 0.00 O ATOM 0 H GLU A 51 7.762 -4.936 -11.708 1.00 0.00 H new ATOM 0 HA GLU A 51 5.302 -6.127 -10.605 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.122 -8.152 -11.788 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.885 -6.794 -12.869 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.259 -6.360 -12.980 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.589 -7.495 -11.687 1.00 0.00 H new ATOM 427 N GLU A 52 6.796 -8.089 -9.339 1.00 0.00 N ATOM 428 CA GLU A 52 7.435 -8.749 -8.207 1.00 0.00 C ATOM 429 C GLU A 52 8.853 -9.188 -8.566 1.00 0.00 C ATOM 430 O GLU A 52 9.119 -10.371 -8.775 1.00 0.00 O ATOM 431 CB GLU A 52 6.607 -9.955 -7.758 1.00 0.00 C ATOM 432 CG GLU A 52 5.181 -9.602 -7.365 1.00 0.00 C ATOM 433 CD GLU A 52 4.373 -10.815 -6.950 1.00 0.00 C ATOM 434 OE1 GLU A 52 3.852 -11.517 -7.843 1.00 0.00 O ATOM 435 OE2 GLU A 52 4.258 -11.064 -5.732 1.00 0.00 O ATOM 0 H GLU A 52 6.131 -8.668 -9.851 1.00 0.00 H new ATOM 0 HA GLU A 52 7.493 -8.036 -7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.582 -10.688 -8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.102 -10.430 -6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.201 -8.885 -6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.688 -9.111 -8.204 1.00 0.00 H new ATOM 442 N THR A 53 9.751 -8.213 -8.644 1.00 0.00 N ATOM 443 CA THR A 53 11.151 -8.467 -8.961 1.00 0.00 C ATOM 444 C THR A 53 12.048 -7.538 -8.155 1.00 0.00 C ATOM 445 O THR A 53 13.020 -7.969 -7.534 1.00 0.00 O ATOM 446 CB THR A 53 11.439 -8.272 -10.463 1.00 0.00 C ATOM 447 OG1 THR A 53 11.090 -6.942 -10.861 1.00 0.00 O ATOM 448 CG2 THR A 53 10.659 -9.277 -11.299 1.00 0.00 C ATOM 0 H THR A 53 9.531 -7.229 -8.490 1.00 0.00 H new ATOM 0 HA THR A 53 11.361 -9.505 -8.702 1.00 0.00 H new ATOM 0 HB THR A 53 12.504 -8.433 -10.629 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.278 -6.826 -11.816 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.878 -9.120 -12.355 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.948 -10.289 -11.015 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.591 -9.143 -11.126 1.00 0.00 H new ATOM 456 N ASP A 54 11.702 -6.254 -8.182 1.00 0.00 N ATOM 457 CA ASP A 54 12.448 -5.229 -7.462 1.00 0.00 C ATOM 458 C ASP A 54 12.494 -5.547 -5.964 1.00 0.00 C ATOM 459 O ASP A 54 11.532 -6.082 -5.412 1.00 0.00 O ATOM 460 CB ASP A 54 11.790 -3.865 -7.700 1.00 0.00 C ATOM 461 CG ASP A 54 12.498 -2.735 -6.978 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.438 -2.154 -7.561 1.00 0.00 O ATOM 463 OD2 ASP A 54 12.113 -2.430 -5.831 1.00 0.00 O ATOM 0 H ASP A 54 10.900 -5.897 -8.701 1.00 0.00 H new ATOM 0 HA ASP A 54 13.473 -5.206 -7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.778 -3.655 -8.769 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.752 -3.906 -7.371 1.00 0.00 H new ATOM 468 N PRO A 55 13.617 -5.227 -5.283 1.00 0.00 N ATOM 469 CA PRO A 55 13.776 -5.485 -3.841 1.00 0.00 C ATOM 470 C PRO A 55 12.695 -4.824 -2.985 1.00 0.00 C ATOM 471 O PRO A 55 12.701 -4.958 -1.761 1.00 0.00 O ATOM 472 CB PRO A 55 15.153 -4.891 -3.509 1.00 0.00 C ATOM 473 CG PRO A 55 15.482 -3.995 -4.653 1.00 0.00 C ATOM 474 CD PRO A 55 14.824 -4.607 -5.854 1.00 0.00 C ATOM 0 HA PRO A 55 13.689 -6.550 -3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 55 15.126 -4.337 -2.571 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.902 -5.675 -3.395 1.00 0.00 H new ATOM 0 HG2 PRO A 55 15.113 -2.985 -4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.560 -3.920 -4.794 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.577 -3.858 -6.606 1.00 0.00 H new ATOM 0 HD3 PRO A 55 15.467 -5.343 -6.337 1.00 0.00 H new ATOM 482 N LEU A 56 11.776 -4.108 -3.630 1.00 0.00 N ATOM 483 CA LEU A 56 10.687 -3.438 -2.922 1.00 0.00 C ATOM 484 C LEU A 56 9.939 -4.423 -2.028 1.00 0.00 C ATOM 485 O LEU A 56 9.343 -4.037 -1.021 1.00 0.00 O ATOM 486 CB LEU A 56 9.719 -2.801 -3.924 1.00 0.00 C ATOM 487 CG LEU A 56 8.574 -1.992 -3.308 1.00 0.00 C ATOM 488 CD1 LEU A 56 9.080 -0.649 -2.803 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.457 -1.795 -4.321 1.00 0.00 C ATOM 0 H LEU A 56 11.764 -3.977 -4.641 1.00 0.00 H new ATOM 0 HA LEU A 56 11.115 -2.657 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.287 -2.148 -4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.292 -3.590 -4.543 1.00 0.00 H new ATOM 0 HG LEU A 56 8.176 -2.549 -2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.252 -0.088 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.846 -0.811 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.505 -0.085 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.651 -1.218 -3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.843 -1.259 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.075 -2.766 -4.635 1.00 0.00 H new ATOM 501 N CYS A 57 9.979 -5.699 -2.402 1.00 0.00 N ATOM 502 CA CYS A 57 9.308 -6.745 -1.639 1.00 0.00 C ATOM 503 C CYS A 57 10.083 -7.079 -0.368 1.00 0.00 C ATOM 504 O CYS A 57 9.499 -7.217 0.706 1.00 0.00 O ATOM 505 CB CYS A 57 9.145 -8.004 -2.494 1.00 0.00 C ATOM 506 SG CYS A 57 8.499 -9.431 -1.592 1.00 0.00 S ATOM 0 H CYS A 57 10.470 -6.033 -3.231 1.00 0.00 H new ATOM 0 HA CYS A 57 8.323 -6.374 -1.355 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.477 -7.781 -3.326 1.00 0.00 H new ATOM 0 HB3 CYS A 57 10.112 -8.266 -2.923 1.00 0.00 H new ATOM 0 HG CYS A 57 8.395 -10.444 -2.400 1.00 0.00 H new ATOM 512 N GLN A 58 11.401 -7.205 -0.499 1.00 0.00 N ATOM 513 CA GLN A 58 12.256 -7.525 0.640 1.00 0.00 C ATOM 514 C GLN A 58 12.108 -6.482 1.745 1.00 0.00 C ATOM 515 O GLN A 58 12.076 -6.818 2.928 1.00 0.00 O ATOM 516 CB GLN A 58 13.720 -7.614 0.199 1.00 0.00 C ATOM 517 CG GLN A 58 14.652 -8.127 1.285 1.00 0.00 C ATOM 518 CD GLN A 58 16.098 -8.190 0.833 1.00 0.00 C ATOM 519 OE1 GLN A 58 16.849 -7.227 0.981 1.00 0.00 O ATOM 520 NE2 GLN A 58 16.495 -9.330 0.278 1.00 0.00 N ATOM 0 H GLN A 58 11.899 -7.091 -1.382 1.00 0.00 H new ATOM 0 HA GLN A 58 11.943 -8.492 1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.790 -8.270 -0.668 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.055 -6.627 -0.120 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.577 -7.480 2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.329 -9.121 1.596 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.838 -10.103 0.175 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.457 -9.432 -0.045 1.00 0.00 H new ATOM 529 N ARG A 59 12.015 -5.215 1.348 1.00 0.00 N ATOM 530 CA ARG A 59 11.869 -4.121 2.305 1.00 0.00 C ATOM 531 C ARG A 59 10.526 -4.199 3.025 1.00 0.00 C ATOM 532 O ARG A 59 10.473 -4.262 4.253 1.00 0.00 O ATOM 533 CB ARG A 59 12.003 -2.772 1.595 1.00 0.00 C ATOM 534 CG ARG A 59 13.427 -2.239 1.554 1.00 0.00 C ATOM 535 CD ARG A 59 14.357 -3.168 0.788 1.00 0.00 C ATOM 536 NE ARG A 59 15.736 -2.689 0.802 1.00 0.00 N ATOM 537 CZ ARG A 59 16.776 -3.417 0.405 1.00 0.00 C ATOM 538 NH1 ARG A 59 16.596 -4.653 -0.040 1.00 0.00 N ATOM 539 NH2 ARG A 59 17.999 -2.905 0.450 1.00 0.00 N ATOM 0 H ARG A 59 12.038 -4.921 0.372 1.00 0.00 H new ATOM 0 HA ARG A 59 12.663 -4.214 3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.632 -2.870 0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.366 -2.043 2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.433 -1.254 1.088 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.797 -2.112 2.571 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.315 -4.166 1.225 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.014 -3.257 -0.243 1.00 0.00 H new ATOM 0 HE ARG A 59 15.912 -1.741 1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.657 -5.049 -0.079 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.397 -5.207 -0.343 1.00 0.00 H new ATOM 0 HH21 ARG A 59 18.141 -1.954 0.789 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.797 -3.463 0.146 1.00 0.00 H new ATOM 553 N LEU A 60 9.443 -4.190 2.251 1.00 0.00 N ATOM 554 CA LEU A 60 8.097 -4.262 2.813 1.00 0.00 C ATOM 555 C LEU A 60 7.920 -5.530 3.645 1.00 0.00 C ATOM 556 O LEU A 60 7.054 -5.596 4.516 1.00 0.00 O ATOM 557 CB LEU A 60 7.054 -4.226 1.693 1.00 0.00 C ATOM 558 CG LEU A 60 7.001 -2.921 0.896 1.00 0.00 C ATOM 559 CD1 LEU A 60 6.156 -3.095 -0.355 1.00 0.00 C ATOM 560 CD2 LEU A 60 6.454 -1.791 1.755 1.00 0.00 C ATOM 0 H LEU A 60 9.472 -4.134 1.233 1.00 0.00 H new ATOM 0 HA LEU A 60 7.955 -3.399 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.255 -5.046 1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.071 -4.408 2.127 1.00 0.00 H new ATOM 0 HG LEU A 60 8.016 -2.662 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.129 -2.157 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.590 -3.875 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.142 -3.378 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.424 -0.871 1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.447 -2.042 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.098 -1.649 2.623 1.00 0.00 H new ATOM 572 N ARG A 61 8.750 -6.531 3.368 1.00 0.00 N ATOM 573 CA ARG A 61 8.688 -7.798 4.087 1.00 0.00 C ATOM 574 C ARG A 61 9.249 -7.651 5.497 1.00 0.00 C ATOM 575 O ARG A 61 8.609 -8.043 6.474 1.00 0.00 O ATOM 576 CB ARG A 61 9.461 -8.879 3.328 1.00 0.00 C ATOM 577 CG ARG A 61 9.412 -10.244 3.992 1.00 0.00 C ATOM 578 CD ARG A 61 10.142 -11.291 3.168 1.00 0.00 C ATOM 579 NE ARG A 61 11.551 -10.956 2.979 1.00 0.00 N ATOM 580 CZ ARG A 61 12.491 -11.852 2.697 1.00 0.00 C ATOM 581 NH1 ARG A 61 12.174 -13.136 2.581 1.00 0.00 N ATOM 582 NH2 ARG A 61 13.750 -11.467 2.534 1.00 0.00 N ATOM 0 H ARG A 61 9.474 -6.489 2.650 1.00 0.00 H new ATOM 0 HA ARG A 61 7.642 -8.094 4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.057 -8.961 2.319 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.501 -8.569 3.231 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.860 -10.183 4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.374 -10.546 4.129 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.063 -12.260 3.661 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.659 -11.388 2.196 1.00 0.00 H new ATOM 0 HE ARG A 61 11.829 -9.979 3.069 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.208 -13.436 2.708 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.897 -13.822 2.364 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.998 -10.482 2.625 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.470 -12.156 2.318 1.00 0.00 H new ATOM 596 N GLU A 62 10.449 -7.084 5.596 1.00 0.00 N ATOM 597 CA GLU A 62 11.095 -6.880 6.888 1.00 0.00 C ATOM 598 C GLU A 62 10.215 -6.028 7.794 1.00 0.00 C ATOM 599 O GLU A 62 9.810 -6.464 8.871 1.00 0.00 O ATOM 600 CB GLU A 62 12.463 -6.218 6.697 1.00 0.00 C ATOM 601 CG GLU A 62 13.321 -6.205 7.953 1.00 0.00 C ATOM 602 CD GLU A 62 12.879 -5.159 8.959 1.00 0.00 C ATOM 603 OE1 GLU A 62 13.201 -3.969 8.759 1.00 0.00 O ATOM 604 OE2 GLU A 62 12.210 -5.530 9.946 1.00 0.00 O ATOM 0 H GLU A 62 10.993 -6.758 4.797 1.00 0.00 H new ATOM 0 HA GLU A 62 11.240 -7.851 7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.001 -6.740 5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.316 -5.192 6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.287 -7.189 8.421 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.359 -6.020 7.676 1.00 0.00 H new ATOM 611 N ASN A 63 9.923 -4.810 7.348 1.00 0.00 N ATOM 612 CA ASN A 63 9.084 -3.902 8.117 1.00 0.00 C ATOM 613 C ASN A 63 7.611 -4.217 7.891 1.00 0.00 C ATOM 614 O ASN A 63 6.981 -3.663 6.992 1.00 0.00 O ATOM 615 CB ASN A 63 9.369 -2.448 7.732 1.00 0.00 C ATOM 616 CG ASN A 63 10.821 -2.068 7.943 1.00 0.00 C ATOM 617 OD1 ASN A 63 11.204 -1.603 9.017 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.639 -2.261 6.914 1.00 0.00 N ATOM 0 H ASN A 63 10.255 -4.431 6.461 1.00 0.00 H new ATOM 0 HA ASN A 63 9.317 -4.038 9.173 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.104 -2.293 6.686 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.734 -1.788 8.322 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.627 -2.021 6.996 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.279 -2.649 6.042 1.00 0.00 H new ATOM 625 N ASP A 64 7.075 -5.124 8.698 1.00 0.00 N ATOM 626 CA ASP A 64 5.674 -5.511 8.588 1.00 0.00 C ATOM 627 C ASP A 64 4.759 -4.297 8.728 1.00 0.00 C ATOM 628 O ASP A 64 4.581 -3.763 9.824 1.00 0.00 O ATOM 629 CB ASP A 64 5.330 -6.556 9.651 1.00 0.00 C ATOM 630 CG ASP A 64 5.743 -6.124 11.045 1.00 0.00 C ATOM 631 OD1 ASP A 64 6.921 -6.329 11.404 1.00 0.00 O ATOM 632 OD2 ASP A 64 4.888 -5.581 11.776 1.00 0.00 O ATOM 0 H ASP A 64 7.589 -5.605 9.436 1.00 0.00 H new ATOM 0 HA ASP A 64 5.517 -5.944 7.600 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.257 -6.745 9.636 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.823 -7.496 9.404 1.00 0.00 H new ATOM 637 N ILE A 65 4.185 -3.860 7.609 1.00 0.00 N ATOM 638 CA ILE A 65 3.288 -2.708 7.611 1.00 0.00 C ATOM 639 C ILE A 65 1.831 -3.141 7.494 1.00 0.00 C ATOM 640 O ILE A 65 1.380 -3.548 6.423 1.00 0.00 O ATOM 641 CB ILE A 65 3.608 -1.730 6.460 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.062 -1.251 6.540 1.00 0.00 C ATOM 643 CG2 ILE A 65 2.655 -0.543 6.490 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.401 -0.539 7.833 1.00 0.00 C ATOM 0 H ILE A 65 4.325 -4.285 6.692 1.00 0.00 H new ATOM 0 HA ILE A 65 3.443 -2.200 8.563 1.00 0.00 H new ATOM 0 HB ILE A 65 3.475 -2.259 5.517 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.724 -2.109 6.424 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.260 -0.580 5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.894 0.137 5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.630 -0.897 6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.758 -0.018 7.440 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.446 -0.230 7.815 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.765 0.339 7.942 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.236 -1.213 8.674 1.00 0.00 H new ATOM 656 N VAL A 66 1.101 -3.054 8.600 1.00 0.00 N ATOM 657 CA VAL A 66 -0.307 -3.425 8.613 1.00 0.00 C ATOM 658 C VAL A 66 -1.140 -2.367 7.895 1.00 0.00 C ATOM 659 O VAL A 66 -0.669 -1.255 7.656 1.00 0.00 O ATOM 660 CB VAL A 66 -0.829 -3.602 10.056 1.00 0.00 C ATOM 661 CG1 VAL A 66 -0.816 -2.275 10.797 1.00 0.00 C ATOM 662 CG2 VAL A 66 -2.225 -4.211 10.061 1.00 0.00 C ATOM 0 H VAL A 66 1.461 -2.730 9.498 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.402 -4.378 8.093 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.162 -4.290 10.575 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.187 -2.421 11.811 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.203 -1.890 10.835 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.454 -1.561 10.276 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.569 -4.325 11.089 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.909 -3.557 9.520 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.198 -5.187 9.577 1.00 0.00 H new ATOM 672 N GLY A 67 -2.372 -2.719 7.547 1.00 0.00 N ATOM 673 CA GLY A 67 -3.241 -1.782 6.860 1.00 0.00 C ATOM 674 C GLY A 67 -3.473 -0.516 7.661 1.00 0.00 C ATOM 675 O GLY A 67 -3.607 0.569 7.096 1.00 0.00 O ATOM 0 H GLY A 67 -2.784 -3.634 7.728 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.803 -1.524 5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.199 -2.261 6.657 1.00 0.00 H new ATOM 679 N ASP A 68 -3.520 -0.655 8.983 1.00 0.00 N ATOM 680 CA ASP A 68 -3.735 0.487 9.864 1.00 0.00 C ATOM 681 C ASP A 68 -2.459 1.309 10.008 1.00 0.00 C ATOM 682 O ASP A 68 -2.485 2.430 10.516 1.00 0.00 O ATOM 683 CB ASP A 68 -4.211 0.015 11.240 1.00 0.00 C ATOM 684 CG ASP A 68 -4.549 1.169 12.163 1.00 0.00 C ATOM 685 OD1 ASP A 68 -5.703 1.645 12.120 1.00 0.00 O ATOM 686 OD2 ASP A 68 -3.660 1.598 12.929 1.00 0.00 O ATOM 0 H ASP A 68 -3.412 -1.547 9.467 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.504 1.118 9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.089 -0.619 11.120 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.435 -0.598 11.699 1.00 0.00 H new ATOM 691 N LEU A 69 -1.344 0.746 9.553 1.00 0.00 N ATOM 692 CA LEU A 69 -0.055 1.422 9.636 1.00 0.00 C ATOM 693 C LEU A 69 0.309 2.072 8.304 1.00 0.00 C ATOM 694 O LEU A 69 1.205 2.913 8.240 1.00 0.00 O ATOM 695 CB LEU A 69 1.032 0.427 10.055 1.00 0.00 C ATOM 696 CG LEU A 69 2.453 0.990 10.125 1.00 0.00 C ATOM 697 CD1 LEU A 69 2.521 2.166 11.088 1.00 0.00 C ATOM 698 CD2 LEU A 69 3.433 -0.097 10.542 1.00 0.00 C ATOM 0 H LEU A 69 -1.308 -0.178 9.123 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.128 2.209 10.387 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.772 0.023 11.033 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.025 -0.407 9.354 1.00 0.00 H new ATOM 0 HG LEU A 69 2.730 1.346 9.133 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.541 2.550 11.122 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.848 2.953 10.749 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.224 1.838 12.084 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.440 0.319 10.587 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.154 -0.481 11.523 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.408 -0.908 9.814 1.00 0.00 H new ATOM 710 N LEU A 70 -0.392 1.682 7.242 1.00 0.00 N ATOM 711 CA LEU A 70 -0.133 2.235 5.915 1.00 0.00 C ATOM 712 C LEU A 70 -0.301 3.760 5.899 1.00 0.00 C ATOM 713 O LEU A 70 0.602 4.473 5.463 1.00 0.00 O ATOM 714 CB LEU A 70 -1.047 1.588 4.866 1.00 0.00 C ATOM 715 CG LEU A 70 -0.705 0.141 4.504 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.804 -0.466 3.644 1.00 0.00 C ATOM 717 CD2 LEU A 70 0.630 0.076 3.777 1.00 0.00 C ATOM 0 H LEU A 70 -1.140 0.989 7.274 1.00 0.00 H new ATOM 0 HA LEU A 70 0.903 2.008 5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.073 1.621 5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.013 2.190 3.958 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.627 -0.435 5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.545 -1.495 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.746 -0.451 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.910 0.113 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.858 -0.960 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.575 0.666 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.414 0.475 4.420 1.00 0.00 H new ATOM 729 N PRO A 71 -1.453 4.291 6.370 1.00 0.00 N ATOM 730 CA PRO A 71 -1.702 5.728 6.392 1.00 0.00 C ATOM 731 C PRO A 71 -1.286 6.380 7.709 1.00 0.00 C ATOM 732 O PRO A 71 -1.371 7.598 7.862 1.00 0.00 O ATOM 733 CB PRO A 71 -3.215 5.789 6.223 1.00 0.00 C ATOM 734 CG PRO A 71 -3.720 4.579 6.943 1.00 0.00 C ATOM 735 CD PRO A 71 -2.612 3.548 6.905 1.00 0.00 C ATOM 0 HA PRO A 71 -1.134 6.263 5.631 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.626 6.705 6.649 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.498 5.772 5.171 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.984 4.824 7.972 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.621 4.194 6.466 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.406 3.147 7.897 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.874 2.703 6.268 1.00 0.00 H new ATOM 743 N GLU A 72 -0.835 5.562 8.654 1.00 0.00 N ATOM 744 CA GLU A 72 -0.417 6.059 9.961 1.00 0.00 C ATOM 745 C GLU A 72 0.985 6.662 9.903 1.00 0.00 C ATOM 746 O GLU A 72 1.306 7.581 10.657 1.00 0.00 O ATOM 747 CB GLU A 72 -0.457 4.929 10.992 1.00 0.00 C ATOM 748 CG GLU A 72 -0.163 5.386 12.412 1.00 0.00 C ATOM 749 CD GLU A 72 -0.200 4.246 13.411 1.00 0.00 C ATOM 750 OE1 GLU A 72 -1.305 3.909 13.886 1.00 0.00 O ATOM 751 OE2 GLU A 72 0.875 3.690 13.718 1.00 0.00 O ATOM 0 H GLU A 72 -0.749 4.552 8.540 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.112 6.844 10.259 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.441 4.461 10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.267 4.165 10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.819 5.858 12.442 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.890 6.144 12.704 1.00 0.00 H new ATOM 758 N LEU A 73 1.815 6.140 9.005 1.00 0.00 N ATOM 759 CA LEU A 73 3.182 6.629 8.852 1.00 0.00 C ATOM 760 C LEU A 73 3.230 7.851 7.939 1.00 0.00 C ATOM 761 O LEU A 73 2.195 8.415 7.584 1.00 0.00 O ATOM 762 CB LEU A 73 4.083 5.519 8.305 1.00 0.00 C ATOM 763 CG LEU A 73 3.494 4.707 7.146 1.00 0.00 C ATOM 764 CD1 LEU A 73 3.467 5.529 5.868 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.283 3.424 6.939 1.00 0.00 C ATOM 0 H LEU A 73 1.566 5.379 8.373 1.00 0.00 H new ATOM 0 HA LEU A 73 3.547 6.929 9.834 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.021 5.965 7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.325 4.836 9.119 1.00 0.00 H new ATOM 0 HG LEU A 73 2.468 4.444 7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.045 4.931 5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.855 6.418 6.020 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.482 5.828 5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.851 2.860 6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.320 3.668 6.709 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.245 2.823 7.847 1.00 0.00 H new ATOM 777 N CYS A 74 4.441 8.252 7.562 1.00 0.00 N ATOM 778 CA CYS A 74 4.630 9.405 6.688 1.00 0.00 C ATOM 779 C CYS A 74 5.362 9.003 5.412 1.00 0.00 C ATOM 780 O CYS A 74 5.671 7.829 5.205 1.00 0.00 O ATOM 781 CB CYS A 74 5.412 10.499 7.415 1.00 0.00 C ATOM 782 SG CYS A 74 4.603 11.114 8.911 1.00 0.00 S ATOM 0 H CYS A 74 5.307 7.795 7.849 1.00 0.00 H new ATOM 0 HA CYS A 74 3.647 9.791 6.417 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.396 10.112 7.680 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.570 11.333 6.731 1.00 0.00 H new ATOM 0 HG CYS A 74 5.341 12.034 9.457 1.00 0.00 H new ATOM 788 N LEU A 75 5.636 9.985 4.559 1.00 0.00 N ATOM 789 CA LEU A 75 6.331 9.736 3.300 1.00 0.00 C ATOM 790 C LEU A 75 7.789 9.354 3.546 1.00 0.00 C ATOM 791 O LEU A 75 8.412 8.693 2.715 1.00 0.00 O ATOM 792 CB LEU A 75 6.259 10.970 2.393 1.00 0.00 C ATOM 793 CG LEU A 75 4.937 11.162 1.639 1.00 0.00 C ATOM 794 CD1 LEU A 75 4.704 10.016 0.666 1.00 0.00 C ATOM 795 CD2 LEU A 75 3.772 11.282 2.610 1.00 0.00 C ATOM 0 H LEU A 75 5.387 10.962 4.717 1.00 0.00 H new ATOM 0 HA LEU A 75 5.835 8.902 2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.442 11.856 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.067 10.911 1.664 1.00 0.00 H new ATOM 0 HG LEU A 75 5.003 12.090 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.761 10.170 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.520 9.980 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.664 9.075 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.846 11.417 2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.704 10.375 3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.930 12.140 3.264 1.00 0.00 H new ATOM 807 N GLN A 76 8.326 9.772 4.690 1.00 0.00 N ATOM 808 CA GLN A 76 9.712 9.469 5.037 1.00 0.00 C ATOM 809 C GLN A 76 9.899 7.973 5.274 1.00 0.00 C ATOM 810 O GLN A 76 10.939 7.407 4.934 1.00 0.00 O ATOM 811 CB GLN A 76 10.142 10.267 6.273 1.00 0.00 C ATOM 812 CG GLN A 76 9.278 10.024 7.503 1.00 0.00 C ATOM 813 CD GLN A 76 9.666 8.767 8.262 1.00 0.00 C ATOM 814 OE1 GLN A 76 8.820 8.116 8.874 1.00 0.00 O ATOM 815 NE2 GLN A 76 10.949 8.425 8.234 1.00 0.00 N ATOM 0 H GLN A 76 7.825 10.319 5.390 1.00 0.00 H new ATOM 0 HA GLN A 76 10.344 9.761 4.198 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.175 10.016 6.513 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.120 11.330 6.031 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.355 10.883 8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.234 9.950 7.198 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.617 8.994 7.714 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.266 7.594 8.733 1.00 0.00 H new ATOM 824 N ASP A 77 8.886 7.339 5.855 1.00 0.00 N ATOM 825 CA ASP A 77 8.937 5.907 6.131 1.00 0.00 C ATOM 826 C ASP A 77 8.900 5.115 4.831 1.00 0.00 C ATOM 827 O ASP A 77 9.723 4.228 4.605 1.00 0.00 O ATOM 828 CB ASP A 77 7.760 5.496 7.017 1.00 0.00 C ATOM 829 CG ASP A 77 7.900 4.081 7.547 1.00 0.00 C ATOM 830 OD1 ASP A 77 7.584 3.133 6.799 1.00 0.00 O ATOM 831 OD2 ASP A 77 8.326 3.923 8.710 1.00 0.00 O ATOM 0 H ASP A 77 8.020 7.794 6.144 1.00 0.00 H new ATOM 0 HA ASP A 77 9.869 5.690 6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.681 6.189 7.855 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.834 5.578 6.447 1.00 0.00 H new ATOM 836 N CYS A 78 7.933 5.447 3.984 1.00 0.00 N ATOM 837 CA CYS A 78 7.773 4.783 2.697 1.00 0.00 C ATOM 838 C CYS A 78 9.030 4.940 1.849 1.00 0.00 C ATOM 839 O CYS A 78 9.425 4.023 1.130 1.00 0.00 O ATOM 840 CB CYS A 78 6.569 5.362 1.952 1.00 0.00 C ATOM 841 SG CYS A 78 5.061 5.447 2.944 1.00 0.00 S ATOM 0 H CYS A 78 7.244 6.177 4.167 1.00 0.00 H new ATOM 0 HA CYS A 78 7.606 3.721 2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.819 6.364 1.603 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.376 4.755 1.068 1.00 0.00 H new ATOM 0 HG CYS A 78 4.207 4.567 2.512 1.00 0.00 H new ATOM 847 N GLN A 79 9.654 6.111 1.939 1.00 0.00 N ATOM 848 CA GLN A 79 10.870 6.386 1.184 1.00 0.00 C ATOM 849 C GLN A 79 11.982 5.435 1.607 1.00 0.00 C ATOM 850 O GLN A 79 12.736 4.934 0.773 1.00 0.00 O ATOM 851 CB GLN A 79 11.310 7.837 1.388 1.00 0.00 C ATOM 852 CG GLN A 79 12.341 8.305 0.376 1.00 0.00 C ATOM 853 CD GLN A 79 12.707 9.766 0.550 1.00 0.00 C ATOM 854 OE1 GLN A 79 12.658 10.302 1.657 1.00 0.00 O ATOM 855 NE2 GLN A 79 13.080 10.417 -0.546 1.00 0.00 N ATOM 0 H GLN A 79 9.338 6.883 2.526 1.00 0.00 H new ATOM 0 HA GLN A 79 10.661 6.232 0.125 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.436 8.485 1.330 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.722 7.946 2.391 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.240 7.695 0.470 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.954 8.149 -0.631 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.106 9.932 -1.443 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.341 11.402 -0.491 1.00 0.00 H new ATOM 864 N ASP A 80 12.080 5.191 2.912 1.00 0.00 N ATOM 865 CA ASP A 80 13.090 4.286 3.447 1.00 0.00 C ATOM 866 C ASP A 80 12.854 2.873 2.928 1.00 0.00 C ATOM 867 O ASP A 80 13.792 2.091 2.764 1.00 0.00 O ATOM 868 CB ASP A 80 13.055 4.293 4.975 1.00 0.00 C ATOM 869 CG ASP A 80 14.123 3.403 5.580 1.00 0.00 C ATOM 870 OD1 ASP A 80 15.245 3.898 5.815 1.00 0.00 O ATOM 871 OD2 ASP A 80 13.837 2.210 5.818 1.00 0.00 O ATOM 0 H ASP A 80 11.472 5.608 3.617 1.00 0.00 H new ATOM 0 HA ASP A 80 14.072 4.627 3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.189 5.313 5.334 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.074 3.962 5.315 1.00 0.00 H new ATOM 876 N LEU A 81 11.589 2.559 2.672 1.00 0.00 N ATOM 877 CA LEU A 81 11.202 1.251 2.164 1.00 0.00 C ATOM 878 C LEU A 81 11.613 1.094 0.703 1.00 0.00 C ATOM 879 O LEU A 81 11.606 -0.010 0.159 1.00 0.00 O ATOM 880 CB LEU A 81 9.688 1.064 2.313 1.00 0.00 C ATOM 881 CG LEU A 81 9.228 0.356 3.595 1.00 0.00 C ATOM 882 CD1 LEU A 81 10.082 0.766 4.787 1.00 0.00 C ATOM 883 CD2 LEU A 81 7.764 0.663 3.866 1.00 0.00 C ATOM 0 H LEU A 81 10.808 3.201 2.810 1.00 0.00 H new ATOM 0 HA LEU A 81 11.716 0.485 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.213 2.044 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.324 0.497 1.456 1.00 0.00 H new ATOM 0 HG LEU A 81 9.346 -0.718 3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.732 0.248 5.680 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.122 0.501 4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.004 1.843 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.449 0.156 4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.634 1.739 3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.158 0.315 3.029 1.00 0.00 H new ATOM 895 N CYS A 82 11.972 2.210 0.077 1.00 0.00 N ATOM 896 CA CYS A 82 12.394 2.205 -1.318 1.00 0.00 C ATOM 897 C CYS A 82 13.913 2.306 -1.419 1.00 0.00 C ATOM 898 O CYS A 82 14.582 2.679 -0.454 1.00 0.00 O ATOM 899 CB CYS A 82 11.737 3.364 -2.074 1.00 0.00 C ATOM 900 SG CYS A 82 12.157 3.433 -3.831 1.00 0.00 S ATOM 0 H CYS A 82 11.979 3.131 0.515 1.00 0.00 H new ATOM 0 HA CYS A 82 12.079 1.265 -1.770 1.00 0.00 H new ATOM 0 HB2 CYS A 82 10.655 3.282 -1.973 1.00 0.00 H new ATOM 0 HB3 CYS A 82 12.031 4.303 -1.604 1.00 0.00 H new ATOM 0 HG CYS A 82 11.778 2.333 -4.411 1.00 0.00 H new ATOM 906 N ASP A 83 14.454 1.969 -2.586 1.00 0.00 N ATOM 907 CA ASP A 83 15.895 2.025 -2.804 1.00 0.00 C ATOM 908 C ASP A 83 16.422 3.438 -2.585 1.00 0.00 C ATOM 909 O ASP A 83 17.590 3.630 -2.249 1.00 0.00 O ATOM 910 CB ASP A 83 16.242 1.552 -4.216 1.00 0.00 C ATOM 911 CG ASP A 83 17.734 1.583 -4.485 1.00 0.00 C ATOM 912 OD1 ASP A 83 18.415 0.587 -4.164 1.00 0.00 O ATOM 913 OD2 ASP A 83 18.221 2.603 -5.014 1.00 0.00 O ATOM 0 H ASP A 83 13.917 1.655 -3.394 1.00 0.00 H new ATOM 0 HA ASP A 83 16.371 1.361 -2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.871 0.537 -4.358 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.731 2.183 -4.943 1.00 0.00 H new ATOM 918 N GLY A 84 15.553 4.427 -2.775 1.00 0.00 N ATOM 919 CA GLY A 84 15.952 5.809 -2.588 1.00 0.00 C ATOM 920 C GLY A 84 15.240 6.757 -3.533 1.00 0.00 C ATOM 921 O GLY A 84 15.759 7.827 -3.853 1.00 0.00 O ATOM 0 H GLY A 84 14.581 4.295 -3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.747 6.106 -1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.028 5.895 -2.736 1.00 0.00 H new ATOM 925 N ASP A 85 14.049 6.369 -3.979 1.00 0.00 N ATOM 926 CA ASP A 85 13.268 7.199 -4.888 1.00 0.00 C ATOM 927 C ASP A 85 12.069 7.810 -4.173 1.00 0.00 C ATOM 928 O ASP A 85 11.279 7.102 -3.546 1.00 0.00 O ATOM 929 CB ASP A 85 12.799 6.379 -6.090 1.00 0.00 C ATOM 930 CG ASP A 85 12.061 7.221 -7.112 1.00 0.00 C ATOM 931 OD1 ASP A 85 12.708 8.072 -7.759 1.00 0.00 O ATOM 932 OD2 ASP A 85 10.835 7.033 -7.263 1.00 0.00 O ATOM 0 H ASP A 85 13.605 5.486 -3.726 1.00 0.00 H new ATOM 0 HA ASP A 85 13.908 8.008 -5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 85 13.661 5.909 -6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.147 5.576 -5.746 1.00 0.00 H new ATOM 937 N LEU A 86 11.938 9.129 -4.270 1.00 0.00 N ATOM 938 CA LEU A 86 10.837 9.839 -3.631 1.00 0.00 C ATOM 939 C LEU A 86 9.527 9.584 -4.369 1.00 0.00 C ATOM 940 O LEU A 86 8.507 9.278 -3.751 1.00 0.00 O ATOM 941 CB LEU A 86 11.129 11.341 -3.587 1.00 0.00 C ATOM 942 CG LEU A 86 10.100 12.182 -2.829 1.00 0.00 C ATOM 943 CD1 LEU A 86 10.161 11.887 -1.337 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.327 13.663 -3.092 1.00 0.00 C ATOM 0 H LEU A 86 12.582 9.728 -4.786 1.00 0.00 H new ATOM 0 HA LEU A 86 10.738 9.466 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.106 11.492 -3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.196 11.712 -4.610 1.00 0.00 H new ATOM 0 HG LEU A 86 9.106 11.917 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.422 12.495 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.949 10.832 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.156 12.123 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.587 14.247 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.327 13.942 -2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.230 13.862 -4.159 1.00 0.00 H new ATOM 956 N ASN A 87 9.564 9.711 -5.694 1.00 0.00 N ATOM 957 CA ASN A 87 8.380 9.495 -6.521 1.00 0.00 C ATOM 958 C ASN A 87 7.756 8.131 -6.234 1.00 0.00 C ATOM 959 O ASN A 87 6.562 7.923 -6.455 1.00 0.00 O ATOM 960 CB ASN A 87 8.744 9.602 -8.004 1.00 0.00 C ATOM 961 CG ASN A 87 9.311 10.962 -8.364 1.00 0.00 C ATOM 962 OD1 ASN A 87 8.574 11.879 -8.725 1.00 0.00 O ATOM 963 ND2 ASN A 87 10.629 11.099 -8.267 1.00 0.00 N ATOM 0 H ASN A 87 10.402 9.963 -6.218 1.00 0.00 H new ATOM 0 HA ASN A 87 7.649 10.266 -6.276 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.472 8.830 -8.253 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.857 9.410 -8.608 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.067 11.991 -8.496 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.203 10.312 -7.963 1.00 0.00 H new ATOM 970 N LYS A 88 8.574 7.210 -5.737 1.00 0.00 N ATOM 971 CA LYS A 88 8.119 5.871 -5.409 1.00 0.00 C ATOM 972 C LYS A 88 7.202 5.904 -4.191 1.00 0.00 C ATOM 973 O LYS A 88 6.090 5.375 -4.217 1.00 0.00 O ATOM 974 CB LYS A 88 9.328 4.984 -5.129 1.00 0.00 C ATOM 975 CG LYS A 88 9.489 3.829 -6.104 1.00 0.00 C ATOM 976 CD LYS A 88 8.416 2.771 -5.905 1.00 0.00 C ATOM 977 CE LYS A 88 8.700 1.529 -6.735 1.00 0.00 C ATOM 978 NZ LYS A 88 10.020 0.927 -6.399 1.00 0.00 N ATOM 0 H LYS A 88 9.564 7.372 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 88 7.557 5.467 -6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.229 5.597 -5.156 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.245 4.584 -4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.443 4.206 -7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.473 3.378 -5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.361 2.501 -4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.444 3.180 -6.181 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.913 0.794 -6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.677 1.787 -7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.021 -0.078 -6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.771 1.424 -6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.191 1.014 -5.377 1.00 0.00 H new ATOM 992 N ALA A 89 7.683 6.538 -3.126 1.00 0.00 N ATOM 993 CA ALA A 89 6.919 6.651 -1.890 1.00 0.00 C ATOM 994 C ALA A 89 5.671 7.501 -2.097 1.00 0.00 C ATOM 995 O ALA A 89 4.675 7.340 -1.391 1.00 0.00 O ATOM 996 CB ALA A 89 7.787 7.239 -0.788 1.00 0.00 C ATOM 0 H ALA A 89 8.601 6.982 -3.095 1.00 0.00 H new ATOM 0 HA ALA A 89 6.601 5.652 -1.591 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.205 7.318 0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.647 6.591 -0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.132 8.229 -1.086 1.00 0.00 H new ATOM 1002 N ILE A 90 5.729 8.408 -3.068 1.00 0.00 N ATOM 1003 CA ILE A 90 4.598 9.278 -3.367 1.00 0.00 C ATOM 1004 C ILE A 90 3.412 8.470 -3.883 1.00 0.00 C ATOM 1005 O ILE A 90 2.331 8.499 -3.296 1.00 0.00 O ATOM 1006 CB ILE A 90 4.974 10.359 -4.402 1.00 0.00 C ATOM 1007 CG1 ILE A 90 6.049 11.287 -3.829 1.00 0.00 C ATOM 1008 CG2 ILE A 90 3.742 11.156 -4.813 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.554 12.317 -4.817 1.00 0.00 C ATOM 0 H ILE A 90 6.546 8.559 -3.660 1.00 0.00 H new ATOM 0 HA ILE A 90 4.318 9.771 -2.436 1.00 0.00 H new ATOM 0 HB ILE A 90 5.375 9.869 -5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.645 11.801 -2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.890 10.685 -3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.026 11.914 -5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.005 10.485 -5.254 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.313 11.640 -3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.313 12.938 -4.340 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.988 11.812 -5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.725 12.945 -5.144 1.00 0.00 H new ATOM 1021 N LYS A 91 3.620 7.747 -4.982 1.00 0.00 N ATOM 1022 CA LYS A 91 2.563 6.926 -5.567 1.00 0.00 C ATOM 1023 C LYS A 91 2.016 5.945 -4.536 1.00 0.00 C ATOM 1024 O LYS A 91 0.823 5.641 -4.521 1.00 0.00 O ATOM 1025 CB LYS A 91 3.089 6.163 -6.786 1.00 0.00 C ATOM 1026 CG LYS A 91 3.474 7.060 -7.953 1.00 0.00 C ATOM 1027 CD LYS A 91 2.265 7.771 -8.545 1.00 0.00 C ATOM 1028 CE LYS A 91 1.308 6.796 -9.215 1.00 0.00 C ATOM 1029 NZ LYS A 91 1.987 5.975 -10.255 1.00 0.00 N ATOM 0 H LYS A 91 4.508 7.713 -5.483 1.00 0.00 H new ATOM 0 HA LYS A 91 1.756 7.586 -5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.958 5.577 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.327 5.458 -7.118 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.202 7.799 -7.618 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.958 6.463 -8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.740 8.312 -7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.599 8.511 -9.273 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.873 6.139 -8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.486 7.349 -9.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.274 5.542 -10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.616 6.581 -10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.546 5.227 -9.797 1.00 0.00 H new ATOM 1043 N PHE A 92 2.903 5.455 -3.678 1.00 0.00 N ATOM 1044 CA PHE A 92 2.529 4.509 -2.632 1.00 0.00 C ATOM 1045 C PHE A 92 1.498 5.124 -1.685 1.00 0.00 C ATOM 1046 O PHE A 92 0.365 4.646 -1.586 1.00 0.00 O ATOM 1047 CB PHE A 92 3.782 4.086 -1.861 1.00 0.00 C ATOM 1048 CG PHE A 92 3.535 3.098 -0.754 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.055 1.826 -1.028 1.00 0.00 C ATOM 1050 CD2 PHE A 92 3.797 3.441 0.562 1.00 0.00 C ATOM 1051 CE1 PHE A 92 2.839 0.917 -0.009 1.00 0.00 C ATOM 1052 CE2 PHE A 92 3.583 2.536 1.586 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.104 1.273 1.300 1.00 0.00 C ATOM 0 H PHE A 92 3.893 5.699 -3.686 1.00 0.00 H new ATOM 0 HA PHE A 92 2.075 3.631 -3.092 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.495 3.654 -2.563 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.250 4.975 -1.438 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.848 1.542 -2.049 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.173 4.427 0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.464 -0.070 -0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.790 2.817 2.608 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.937 0.564 2.098 1.00 0.00 H new ATOM 1063 N LYS A 93 1.897 6.192 -1.002 1.00 0.00 N ATOM 1064 CA LYS A 93 1.018 6.878 -0.062 1.00 0.00 C ATOM 1065 C LYS A 93 -0.254 7.369 -0.748 1.00 0.00 C ATOM 1066 O LYS A 93 -1.298 7.511 -0.110 1.00 0.00 O ATOM 1067 CB LYS A 93 1.753 8.057 0.580 1.00 0.00 C ATOM 1068 CG LYS A 93 0.908 8.843 1.571 1.00 0.00 C ATOM 1069 CD LYS A 93 0.518 7.995 2.771 1.00 0.00 C ATOM 1070 CE LYS A 93 -0.300 8.794 3.774 1.00 0.00 C ATOM 1071 NZ LYS A 93 -1.551 9.329 3.170 1.00 0.00 N ATOM 0 H LYS A 93 2.827 6.602 -1.083 1.00 0.00 H new ATOM 0 HA LYS A 93 0.732 6.165 0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.641 7.685 1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.095 8.731 -0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.463 9.719 1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.009 9.207 1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.057 7.131 2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.416 7.612 3.255 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.550 8.161 4.625 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.300 9.620 4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.104 9.824 3.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.311 9.993 2.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.113 8.544 2.782 1.00 0.00 H new ATOM 1085 N ILE A 94 -0.164 7.627 -2.049 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.311 8.107 -2.813 1.00 0.00 C ATOM 1087 C ILE A 94 -2.389 7.035 -2.938 1.00 0.00 C ATOM 1088 O ILE A 94 -3.480 7.177 -2.386 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.901 8.574 -4.224 1.00 0.00 C ATOM 1090 CG1 ILE A 94 -0.223 9.945 -4.151 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -2.116 8.622 -5.143 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.373 10.402 -5.466 1.00 0.00 C ATOM 0 H ILE A 94 0.689 7.512 -2.596 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.713 8.956 -2.261 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.190 7.859 -4.637 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.952 10.683 -3.817 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.564 9.911 -3.398 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.809 8.954 -6.135 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.558 7.628 -5.213 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.851 9.319 -4.739 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.835 11.380 -5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.127 9.685 -5.793 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.413 10.470 -6.218 1.00 0.00 H new ATOM 1104 N LEU A 95 -2.078 5.970 -3.675 1.00 0.00 N ATOM 1105 CA LEU A 95 -3.026 4.880 -3.885 1.00 0.00 C ATOM 1106 C LEU A 95 -3.682 4.463 -2.577 1.00 0.00 C ATOM 1107 O LEU A 95 -4.853 4.085 -2.553 1.00 0.00 O ATOM 1108 CB LEU A 95 -2.327 3.675 -4.519 1.00 0.00 C ATOM 1109 CG LEU A 95 -1.744 3.916 -5.914 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -1.083 2.650 -6.436 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -2.827 4.387 -6.876 1.00 0.00 C ATOM 0 H LEU A 95 -1.177 5.840 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.801 5.241 -4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.523 3.353 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.039 2.852 -4.578 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.989 4.698 -5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.673 2.836 -7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.280 2.354 -5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.822 1.851 -6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.391 4.552 -7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.606 3.628 -6.946 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.259 5.318 -6.510 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.925 4.539 -1.491 1.00 0.00 N ATOM 1124 CA ILE A 96 -3.440 4.161 -0.184 1.00 0.00 C ATOM 1125 C ILE A 96 -4.357 5.235 0.396 1.00 0.00 C ATOM 1126 O ILE A 96 -5.384 4.924 1.000 1.00 0.00 O ATOM 1127 CB ILE A 96 -2.293 3.881 0.806 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -1.355 2.817 0.232 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.848 3.440 2.153 1.00 0.00 C ATOM 1130 CD1 ILE A 96 -0.056 2.678 0.993 1.00 0.00 C ATOM 0 H ILE A 96 -1.956 4.858 -1.490 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.020 3.250 -0.329 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.726 4.799 0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.869 1.856 0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.133 3.063 -0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.024 3.246 2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.483 4.227 2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.435 2.530 2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.557 1.906 0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.480 3.627 0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.267 2.401 2.026 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.984 6.495 0.209 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.773 7.611 0.722 1.00 0.00 C ATOM 1144 C ASN A 97 -6.135 7.685 0.038 1.00 0.00 C ATOM 1145 O ASN A 97 -7.171 7.726 0.701 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.018 8.926 0.526 1.00 0.00 C ATOM 1147 CG ASN A 97 -4.749 10.108 1.136 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -5.568 10.752 0.481 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -4.454 10.397 2.398 1.00 0.00 N ATOM 0 H ASN A 97 -3.141 6.771 -0.294 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.936 7.446 1.787 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.028 8.844 0.974 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.872 9.103 -0.540 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.913 11.180 2.863 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.768 9.836 2.903 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.125 7.703 -1.291 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.360 7.777 -2.067 1.00 0.00 C ATOM 1158 C LYS A 98 -8.244 6.557 -1.823 1.00 0.00 C ATOM 1159 O LYS A 98 -9.465 6.677 -1.742 1.00 0.00 O ATOM 1160 CB LYS A 98 -7.048 7.901 -3.562 1.00 0.00 C ATOM 1161 CG LYS A 98 -6.606 9.295 -3.985 1.00 0.00 C ATOM 1162 CD LYS A 98 -5.248 9.656 -3.408 1.00 0.00 C ATOM 1163 CE LYS A 98 -4.793 11.029 -3.876 1.00 0.00 C ATOM 1164 NZ LYS A 98 -5.740 12.100 -3.459 1.00 0.00 N ATOM 0 H LYS A 98 -5.275 7.667 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.902 8.664 -1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.265 7.188 -3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.934 7.622 -4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.564 9.349 -5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.346 10.026 -3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.298 9.639 -2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.514 8.907 -3.705 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.804 11.241 -3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.699 11.030 -4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.302 13.030 -3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.613 12.030 -4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.968 11.989 -2.450 1.00 0.00 H new ATOM 1178 N MET A 99 -7.624 5.387 -1.711 1.00 0.00 N ATOM 1179 CA MET A 99 -8.368 4.153 -1.479 1.00 0.00 C ATOM 1180 C MET A 99 -9.198 4.241 -0.201 1.00 0.00 C ATOM 1181 O MET A 99 -10.361 3.836 -0.176 1.00 0.00 O ATOM 1182 CB MET A 99 -7.416 2.959 -1.395 1.00 0.00 C ATOM 1183 CG MET A 99 -8.129 1.621 -1.286 1.00 0.00 C ATOM 1184 SD MET A 99 -6.997 0.250 -0.988 1.00 0.00 S ATOM 1185 CE MET A 99 -6.395 0.658 0.649 1.00 0.00 C ATOM 0 H MET A 99 -6.613 5.267 -1.777 1.00 0.00 H new ATOM 0 HA MET A 99 -9.045 4.012 -2.322 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.778 2.951 -2.279 1.00 0.00 H new ATOM 0 HB3 MET A 99 -6.763 3.085 -0.531 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.858 1.667 -0.477 1.00 0.00 H new ATOM 0 HG3 MET A 99 -8.685 1.434 -2.205 1.00 0.00 H new ATOM 0 HE1 MET A 99 -6.029 -0.245 1.137 1.00 0.00 H new ATOM 0 HE2 MET A 99 -5.584 1.382 0.568 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.206 1.086 1.239 1.00 0.00 H new ATOM 1195 N ARG A 100 -8.592 4.771 0.858 1.00 0.00 N ATOM 1196 CA ARG A 100 -9.276 4.908 2.139 1.00 0.00 C ATOM 1197 C ARG A 100 -10.408 5.927 2.052 1.00 0.00 C ATOM 1198 O ARG A 100 -11.567 5.606 2.316 1.00 0.00 O ATOM 1199 CB ARG A 100 -8.285 5.322 3.231 1.00 0.00 C ATOM 1200 CG ARG A 100 -8.934 5.550 4.589 1.00 0.00 C ATOM 1201 CD ARG A 100 -7.913 5.976 5.631 1.00 0.00 C ATOM 1202 NE ARG A 100 -7.172 7.164 5.216 1.00 0.00 N ATOM 1203 CZ ARG A 100 -6.426 7.896 6.037 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -6.332 7.575 7.322 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -5.775 8.953 5.574 1.00 0.00 N ATOM 0 H ARG A 100 -7.631 5.112 0.854 1.00 0.00 H new ATOM 0 HA ARG A 100 -9.705 3.939 2.394 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.521 4.551 3.328 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.778 6.236 2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.706 6.315 4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.428 4.635 4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.420 6.176 6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.215 5.158 5.811 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.230 7.449 4.238 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.834 6.764 7.683 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.758 8.140 7.948 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -5.847 9.204 4.588 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.202 9.515 6.203 1.00 0.00 H new ATOM 1219 N ASP A 101 -10.066 7.156 1.679 1.00 0.00 N ATOM 1220 CA ASP A 101 -11.052 8.225 1.566 1.00 0.00 C ATOM 1221 C ASP A 101 -12.056 7.940 0.452 1.00 0.00 C ATOM 1222 O ASP A 101 -13.221 7.643 0.717 1.00 0.00 O ATOM 1223 CB ASP A 101 -10.356 9.563 1.310 1.00 0.00 C ATOM 1224 CG ASP A 101 -9.440 9.966 2.448 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -8.249 9.591 2.414 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -9.913 10.657 3.375 1.00 0.00 O ATOM 0 H ASP A 101 -9.113 7.437 1.450 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.596 8.277 2.509 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -9.778 9.498 0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -11.108 10.338 1.161 1.00 0.00 H new