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 Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 91:sc= 0.839 USER MOD Single : A 44 CYS SG : rot 121:sc= -2.02! USER MOD Single : A 46 SER OG : rot -20:sc= 0.348 USER MOD Single : A 47 THR OG1 : rot -15:sc= 1.11 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0926 USER MOD Single : A 57 CYS SG : rot -60:sc= 0.0134 USER MOD Single : A 58 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.16) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.197 X(o=-0.2,f=0.021) USER MOD Single : A 78 CYS SG : rot 82:sc= 0.74 USER MOD Single : A 79 GLN : amide:sc= -0.522 K(o=-0.52,f=0) USER MOD Single : A 82 CYS SG : rot 68:sc= 0.854 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -145:sc= -1.85! (180deg=-3.75!) USER MOD Single : A 91 LYS NZ :NH3+ -167:sc= 0.255 (180deg=0.0167) USER MOD Single : A 93 LYS NZ :NH3+ 168:sc= -0.0222 (180deg=-0.226) USER MOD Single : A 97 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.0051) USER MOD Single : A 98 LYS NZ :NH3+ 163:sc= -0.0848 (180deg=-0.434) USER MOD Single : A 99 MET CE :methyl -138:sc= -0.282 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 142 N GLN A 34 -7.106 -6.718 8.476 1.00 0.00 N ATOM 143 CA GLN A 34 -6.892 -7.991 7.794 1.00 0.00 C ATOM 144 C GLN A 34 -5.675 -7.933 6.873 1.00 0.00 C ATOM 145 O GLN A 34 -5.048 -8.957 6.598 1.00 0.00 O ATOM 146 CB GLN A 34 -8.135 -8.377 6.989 1.00 0.00 C ATOM 147 CG GLN A 34 -8.028 -9.734 6.314 1.00 0.00 C ATOM 148 CD GLN A 34 -9.276 -10.097 5.533 1.00 0.00 C ATOM 149 OE1 GLN A 34 -10.383 -9.691 5.886 1.00 0.00 O ATOM 150 NE2 GLN A 34 -9.102 -10.870 4.466 1.00 0.00 N ATOM 0 HA GLN A 34 -6.706 -8.748 8.556 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.000 -8.378 7.652 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.316 -7.616 6.229 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.170 -9.735 5.642 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.842 -10.498 7.069 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.166 -11.183 4.210 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.905 -11.150 3.903 1.00 0.00 H new ATOM 159 N TRP A 35 -5.348 -6.735 6.397 1.00 0.00 N ATOM 160 CA TRP A 35 -4.207 -6.555 5.503 1.00 0.00 C ATOM 161 C TRP A 35 -2.914 -7.032 6.155 1.00 0.00 C ATOM 162 O TRP A 35 -2.450 -6.454 7.137 1.00 0.00 O ATOM 163 CB TRP A 35 -4.071 -5.087 5.098 1.00 0.00 C ATOM 164 CG TRP A 35 -5.077 -4.655 4.075 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.428 -4.561 4.242 1.00 0.00 C ATOM 166 CD2 TRP A 35 -4.810 -4.257 2.726 1.00 0.00 C ATOM 167 NE1 TRP A 35 -7.019 -4.132 3.079 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.047 -3.937 2.133 1.00 0.00 C ATOM 169 CE3 TRP A 35 -3.647 -4.140 1.960 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.151 -3.509 0.812 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -3.752 -3.714 0.649 1.00 0.00 C ATOM 172 CH2 TRP A 35 -4.996 -3.403 0.087 1.00 0.00 C ATOM 0 H TRP A 35 -5.855 -5.877 6.614 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.386 -7.157 4.612 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.175 -4.462 5.985 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.069 -4.918 4.705 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.956 -4.791 5.156 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.019 -3.983 2.942 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.683 -4.378 2.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.109 -3.269 0.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.859 -3.620 0.048 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.045 -3.073 -0.940 1.00 0.00 H new ATOM 183 N SER A 36 -2.336 -8.092 5.597 1.00 0.00 N ATOM 184 CA SER A 36 -1.092 -8.651 6.116 1.00 0.00 C ATOM 185 C SER A 36 0.089 -8.242 5.242 1.00 0.00 C ATOM 186 O SER A 36 -0.057 -7.432 4.327 1.00 0.00 O ATOM 187 CB SER A 36 -1.185 -10.176 6.190 1.00 0.00 C ATOM 188 OG SER A 36 -2.247 -10.582 7.036 1.00 0.00 O ATOM 0 H SER A 36 -2.710 -8.582 4.784 1.00 0.00 H new ATOM 0 HA SER A 36 -0.934 -8.257 7.120 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.336 -10.583 5.190 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.244 -10.583 6.561 1.00 0.00 H new ATOM 0 HG SER A 36 -2.286 -11.561 7.065 1.00 0.00 H new ATOM 194 N VAL A 37 1.257 -8.806 5.531 1.00 0.00 N ATOM 195 CA VAL A 37 2.463 -8.496 4.773 1.00 0.00 C ATOM 196 C VAL A 37 2.304 -8.876 3.303 1.00 0.00 C ATOM 197 O VAL A 37 2.814 -8.192 2.418 1.00 0.00 O ATOM 198 CB VAL A 37 3.693 -9.227 5.350 1.00 0.00 C ATOM 199 CG1 VAL A 37 4.954 -8.841 4.593 1.00 0.00 C ATOM 200 CG2 VAL A 37 3.843 -8.929 6.834 1.00 0.00 C ATOM 0 H VAL A 37 1.394 -9.480 6.284 1.00 0.00 H new ATOM 0 HA VAL A 37 2.617 -7.420 4.852 1.00 0.00 H new ATOM 0 HB VAL A 37 3.541 -10.300 5.229 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.809 -9.368 5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.845 -9.112 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.113 -7.766 4.676 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.716 -9.453 7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.969 -7.856 6.979 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.952 -9.264 7.364 1.00 0.00 H new ATOM 210 N ASP A 38 1.589 -9.967 3.051 1.00 0.00 N ATOM 211 CA ASP A 38 1.369 -10.441 1.688 1.00 0.00 C ATOM 212 C ASP A 38 0.353 -9.573 0.951 1.00 0.00 C ATOM 213 O ASP A 38 0.450 -9.383 -0.261 1.00 0.00 O ATOM 214 CB ASP A 38 0.894 -11.895 1.706 1.00 0.00 C ATOM 215 CG ASP A 38 0.600 -12.424 0.315 1.00 0.00 C ATOM 216 OD1 ASP A 38 1.529 -12.953 -0.329 1.00 0.00 O ATOM 217 OD2 ASP A 38 -0.562 -12.311 -0.128 1.00 0.00 O ATOM 0 H ASP A 38 1.152 -10.540 3.772 1.00 0.00 H new ATOM 0 HA ASP A 38 2.318 -10.375 1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.656 -12.518 2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.004 -11.974 2.319 1.00 0.00 H new ATOM 222 N ASP A 39 -0.621 -9.048 1.687 1.00 0.00 N ATOM 223 CA ASP A 39 -1.658 -8.209 1.096 1.00 0.00 C ATOM 224 C ASP A 39 -1.105 -6.848 0.686 1.00 0.00 C ATOM 225 O ASP A 39 -1.416 -6.342 -0.392 1.00 0.00 O ATOM 226 CB ASP A 39 -2.814 -8.025 2.080 1.00 0.00 C ATOM 227 CG ASP A 39 -3.496 -9.335 2.419 1.00 0.00 C ATOM 228 OD1 ASP A 39 -3.044 -10.013 3.365 1.00 0.00 O ATOM 229 OD2 ASP A 39 -4.484 -9.684 1.737 1.00 0.00 O ATOM 0 H ASP A 39 -0.714 -9.188 2.693 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.023 -8.712 0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.440 -7.566 2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.545 -7.337 1.654 1.00 0.00 H new ATOM 234 N VAL A 40 -0.287 -6.260 1.549 1.00 0.00 N ATOM 235 CA VAL A 40 0.300 -4.955 1.277 1.00 0.00 C ATOM 236 C VAL A 40 1.295 -5.017 0.120 1.00 0.00 C ATOM 237 O VAL A 40 1.230 -4.211 -0.807 1.00 0.00 O ATOM 238 CB VAL A 40 1.010 -4.390 2.523 1.00 0.00 C ATOM 239 CG1 VAL A 40 1.639 -3.039 2.219 1.00 0.00 C ATOM 240 CG2 VAL A 40 0.036 -4.282 3.685 1.00 0.00 C ATOM 0 H VAL A 40 -0.015 -6.667 2.444 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.522 -4.294 1.002 1.00 0.00 H new ATOM 0 HB VAL A 40 1.807 -5.077 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.135 -2.659 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.370 -3.150 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.864 -2.338 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.553 -3.881 4.557 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.784 -3.617 3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.361 -5.270 3.920 1.00 0.00 H new ATOM 250 N ILE A 41 2.214 -5.975 0.181 1.00 0.00 N ATOM 251 CA ILE A 41 3.226 -6.132 -0.858 1.00 0.00 C ATOM 252 C ILE A 41 2.596 -6.409 -2.222 1.00 0.00 C ATOM 253 O ILE A 41 2.798 -5.652 -3.172 1.00 0.00 O ATOM 254 CB ILE A 41 4.210 -7.270 -0.517 1.00 0.00 C ATOM 255 CG1 ILE A 41 4.976 -6.943 0.767 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.177 -7.502 -1.671 1.00 0.00 C ATOM 257 CD1 ILE A 41 5.844 -8.079 1.264 1.00 0.00 C ATOM 0 H ILE A 41 2.279 -6.655 0.939 1.00 0.00 H new ATOM 0 HA ILE A 41 3.770 -5.189 -0.905 1.00 0.00 H new ATOM 0 HB ILE A 41 3.640 -8.185 -0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.602 -6.068 0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.263 -6.674 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.864 -8.308 -1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.617 -7.774 -2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.743 -6.590 -1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.356 -7.774 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.221 -8.949 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.581 -8.333 0.503 1.00 0.00 H new ATOM 269 N THR A 42 1.838 -7.496 -2.310 1.00 0.00 N ATOM 270 CA THR A 42 1.193 -7.884 -3.562 1.00 0.00 C ATOM 271 C THR A 42 0.366 -6.745 -4.157 1.00 0.00 C ATOM 272 O THR A 42 0.632 -6.300 -5.271 1.00 0.00 O ATOM 273 CB THR A 42 0.283 -9.113 -3.366 1.00 0.00 C ATOM 274 OG1 THR A 42 1.046 -10.210 -2.851 1.00 0.00 O ATOM 275 CG2 THR A 42 -0.374 -9.519 -4.677 1.00 0.00 C ATOM 0 H THR A 42 1.654 -8.126 -1.529 1.00 0.00 H new ATOM 0 HA THR A 42 1.997 -8.133 -4.255 1.00 0.00 H new ATOM 0 HB THR A 42 -0.499 -8.846 -2.655 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.027 -10.190 -1.871 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.010 -10.388 -4.511 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.978 -8.693 -5.052 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.395 -9.767 -5.408 1.00 0.00 H new ATOM 283 N TRP A 43 -0.635 -6.285 -3.412 1.00 0.00 N ATOM 284 CA TRP A 43 -1.508 -5.206 -3.876 1.00 0.00 C ATOM 285 C TRP A 43 -0.703 -4.011 -4.386 1.00 0.00 C ATOM 286 O TRP A 43 -0.937 -3.523 -5.493 1.00 0.00 O ATOM 287 CB TRP A 43 -2.445 -4.757 -2.753 1.00 0.00 C ATOM 288 CG TRP A 43 -3.339 -3.621 -3.149 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.502 -3.704 -3.859 1.00 0.00 C ATOM 290 CD2 TRP A 43 -3.139 -2.233 -2.863 1.00 0.00 C ATOM 291 NE1 TRP A 43 -5.036 -2.450 -4.034 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.218 -1.532 -3.431 1.00 0.00 C ATOM 293 CE3 TRP A 43 -2.153 -1.515 -2.180 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.337 -0.147 -3.340 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.272 -0.140 -2.088 1.00 0.00 C ATOM 296 CH2 TRP A 43 -3.358 0.531 -2.666 1.00 0.00 C ATOM 0 H TRP A 43 -0.864 -6.641 -2.484 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.098 -5.597 -4.705 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.059 -5.602 -2.441 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.850 -4.459 -1.890 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.938 -4.620 -4.229 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.901 -2.238 -4.532 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.313 -2.025 -1.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.172 0.373 -3.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.516 0.425 -1.563 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.424 1.605 -2.578 1.00 0.00 H new ATOM 307 N CYS A 44 0.241 -3.545 -3.575 1.00 0.00 N ATOM 308 CA CYS A 44 1.076 -2.402 -3.939 1.00 0.00 C ATOM 309 C CYS A 44 1.755 -2.617 -5.290 1.00 0.00 C ATOM 310 O CYS A 44 1.443 -1.938 -6.265 1.00 0.00 O ATOM 311 CB CYS A 44 2.131 -2.159 -2.859 1.00 0.00 C ATOM 312 SG CYS A 44 3.183 -0.722 -3.164 1.00 0.00 S ATOM 0 H CYS A 44 0.449 -3.941 -2.658 1.00 0.00 H new ATOM 0 HA CYS A 44 0.431 -1.527 -4.020 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.630 -2.032 -1.899 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.760 -3.045 -2.775 1.00 0.00 H new ATOM 0 HG CYS A 44 3.063 0.120 -2.181 1.00 0.00 H new ATOM 318 N ILE A 45 2.683 -3.566 -5.332 1.00 0.00 N ATOM 319 CA ILE A 45 3.425 -3.883 -6.552 1.00 0.00 C ATOM 320 C ILE A 45 2.496 -4.159 -7.735 1.00 0.00 C ATOM 321 O ILE A 45 2.843 -3.892 -8.886 1.00 0.00 O ATOM 322 CB ILE A 45 4.319 -5.118 -6.331 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.252 -4.893 -5.140 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.118 -5.433 -7.585 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.015 -6.133 -4.728 1.00 0.00 C ATOM 0 H ILE A 45 2.943 -4.136 -4.527 1.00 0.00 H new ATOM 0 HA ILE A 45 4.035 -3.010 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 45 3.679 -5.973 -6.112 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.963 -4.105 -5.389 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.666 -4.538 -4.292 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.743 -6.308 -7.408 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.435 -5.635 -8.410 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.750 -4.581 -7.837 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.657 -5.900 -3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.311 -6.917 -4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.628 -6.477 -5.561 1.00 0.00 H new ATOM 337 N SER A 46 1.315 -4.690 -7.442 1.00 0.00 N ATOM 338 CA SER A 46 0.343 -5.030 -8.478 1.00 0.00 C ATOM 339 C SER A 46 -0.164 -3.802 -9.231 1.00 0.00 C ATOM 340 O SER A 46 -0.800 -3.936 -10.277 1.00 0.00 O ATOM 341 CB SER A 46 -0.839 -5.778 -7.861 1.00 0.00 C ATOM 342 OG SER A 46 -1.800 -6.117 -8.846 1.00 0.00 O ATOM 0 H SER A 46 1.005 -4.896 -6.492 1.00 0.00 H new ATOM 0 HA SER A 46 0.855 -5.667 -9.199 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.483 -6.683 -7.369 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.304 -5.159 -7.093 1.00 0.00 H new ATOM 0 HG SER A 46 -1.674 -5.549 -9.635 1.00 0.00 H new ATOM 348 N THR A 47 0.110 -2.608 -8.713 1.00 0.00 N ATOM 349 CA THR A 47 -0.358 -1.387 -9.366 1.00 0.00 C ATOM 350 C THR A 47 0.470 -0.161 -8.987 1.00 0.00 C ATOM 351 O THR A 47 0.062 0.970 -9.256 1.00 0.00 O ATOM 352 CB THR A 47 -1.835 -1.115 -9.015 1.00 0.00 C ATOM 353 OG1 THR A 47 -2.276 0.104 -9.628 1.00 0.00 O ATOM 354 CG2 THR A 47 -2.024 -1.030 -7.507 1.00 0.00 C ATOM 0 H THR A 47 0.645 -2.459 -7.857 1.00 0.00 H new ATOM 0 HA THR A 47 -0.247 -1.554 -10.437 1.00 0.00 H new ATOM 0 HB THR A 47 -2.432 -1.943 -9.396 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.498 0.619 -9.928 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.073 -0.838 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.721 -1.972 -7.049 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.413 -0.220 -7.109 1.00 0.00 H new ATOM 362 N LEU A 48 1.634 -0.369 -8.382 1.00 0.00 N ATOM 363 CA LEU A 48 2.469 0.758 -7.977 1.00 0.00 C ATOM 364 C LEU A 48 3.428 1.180 -9.087 1.00 0.00 C ATOM 365 O LEU A 48 3.265 2.247 -9.681 1.00 0.00 O ATOM 366 CB LEU A 48 3.266 0.417 -6.721 1.00 0.00 C ATOM 367 CG LEU A 48 3.947 1.612 -6.056 1.00 0.00 C ATOM 368 CD1 LEU A 48 2.989 2.321 -5.114 1.00 0.00 C ATOM 369 CD2 LEU A 48 5.195 1.171 -5.317 1.00 0.00 C ATOM 0 H LEU A 48 2.017 -1.289 -8.164 1.00 0.00 H new ATOM 0 HA LEU A 48 1.798 1.591 -7.767 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.598 -0.052 -5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.026 -0.321 -6.978 1.00 0.00 H new ATOM 0 HG LEU A 48 4.240 2.315 -6.835 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.494 3.169 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.124 2.676 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.660 1.628 -4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.666 2.036 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.926 0.446 -4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.892 0.714 -6.020 1.00 0.00 H new ATOM 381 N GLU A 49 4.427 0.347 -9.367 1.00 0.00 N ATOM 382 CA GLU A 49 5.405 0.664 -10.403 1.00 0.00 C ATOM 383 C GLU A 49 5.844 -0.569 -11.189 1.00 0.00 C ATOM 384 O GLU A 49 5.472 -0.742 -12.350 1.00 0.00 O ATOM 385 CB GLU A 49 6.629 1.344 -9.785 1.00 0.00 C ATOM 386 CG GLU A 49 6.384 2.790 -9.382 1.00 0.00 C ATOM 387 CD GLU A 49 6.156 3.696 -10.578 1.00 0.00 C ATOM 388 OE1 GLU A 49 4.992 3.827 -11.010 1.00 0.00 O ATOM 389 OE2 GLU A 49 7.143 4.273 -11.082 1.00 0.00 O ATOM 0 H GLU A 49 4.580 -0.545 -8.896 1.00 0.00 H new ATOM 0 HA GLU A 49 4.917 1.343 -11.103 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.943 0.779 -8.907 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.452 1.309 -10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.517 2.838 -8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.238 3.155 -8.812 1.00 0.00 H new ATOM 396 N VAL A 50 6.634 -1.424 -10.544 1.00 0.00 N ATOM 397 CA VAL A 50 7.161 -2.620 -11.194 1.00 0.00 C ATOM 398 C VAL A 50 6.436 -3.888 -10.753 1.00 0.00 C ATOM 399 O VAL A 50 5.361 -3.833 -10.156 1.00 0.00 O ATOM 400 CB VAL A 50 8.668 -2.782 -10.904 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.438 -1.558 -11.377 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.906 -3.027 -9.420 1.00 0.00 C ATOM 0 H VAL A 50 6.923 -1.311 -9.572 1.00 0.00 H new ATOM 0 HA VAL A 50 6.998 -2.485 -12.263 1.00 0.00 H new ATOM 0 HB VAL A 50 9.032 -3.649 -11.455 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.499 -1.691 -11.164 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.296 -1.431 -12.450 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.071 -0.674 -10.856 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.975 -3.139 -9.236 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.525 -2.182 -8.846 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.388 -3.936 -9.114 1.00 0.00 H new ATOM 412 N GLU A 51 7.045 -5.031 -11.065 1.00 0.00 N ATOM 413 CA GLU A 51 6.489 -6.332 -10.712 1.00 0.00 C ATOM 414 C GLU A 51 7.164 -6.871 -9.457 1.00 0.00 C ATOM 415 O GLU A 51 7.942 -6.166 -8.815 1.00 0.00 O ATOM 416 CB GLU A 51 6.684 -7.315 -11.865 1.00 0.00 C ATOM 417 CG GLU A 51 8.133 -7.443 -12.305 1.00 0.00 C ATOM 418 CD GLU A 51 8.343 -8.552 -13.318 1.00 0.00 C ATOM 419 OE1 GLU A 51 8.274 -9.736 -12.924 1.00 0.00 O ATOM 420 OE2 GLU A 51 8.572 -8.238 -14.505 1.00 0.00 O ATOM 0 H GLU A 51 7.932 -5.079 -11.566 1.00 0.00 H new ATOM 0 HA GLU A 51 5.423 -6.214 -10.518 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.315 -8.295 -11.564 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.080 -6.994 -12.714 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.462 -6.497 -12.735 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.758 -7.631 -11.432 1.00 0.00 H new ATOM 427 N GLU A 52 6.868 -8.119 -9.104 1.00 0.00 N ATOM 428 CA GLU A 52 7.465 -8.723 -7.919 1.00 0.00 C ATOM 429 C GLU A 52 8.886 -9.194 -8.213 1.00 0.00 C ATOM 430 O GLU A 52 9.144 -10.391 -8.350 1.00 0.00 O ATOM 431 CB GLU A 52 6.614 -9.898 -7.430 1.00 0.00 C ATOM 432 CG GLU A 52 5.172 -9.522 -7.130 1.00 0.00 C ATOM 433 CD GLU A 52 4.349 -10.705 -6.661 1.00 0.00 C ATOM 434 OE1 GLU A 52 3.789 -11.417 -7.520 1.00 0.00 O ATOM 435 OE2 GLU A 52 4.264 -10.920 -5.433 1.00 0.00 O ATOM 0 H GLU A 52 6.226 -8.725 -9.615 1.00 0.00 H new ATOM 0 HA GLU A 52 7.504 -7.967 -7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.626 -10.684 -8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.067 -10.314 -6.530 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.154 -8.745 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.717 -9.099 -8.025 1.00 0.00 H new ATOM 442 N THR A 53 9.800 -8.236 -8.316 1.00 0.00 N ATOM 443 CA THR A 53 11.204 -8.527 -8.581 1.00 0.00 C ATOM 444 C THR A 53 12.098 -7.577 -7.795 1.00 0.00 C ATOM 445 O THR A 53 13.068 -7.991 -7.160 1.00 0.00 O ATOM 446 CB THR A 53 11.537 -8.410 -10.080 1.00 0.00 C ATOM 447 OG1 THR A 53 11.276 -7.078 -10.540 1.00 0.00 O ATOM 448 CG2 THR A 53 10.721 -9.402 -10.895 1.00 0.00 C ATOM 0 H THR A 53 9.591 -7.242 -8.219 1.00 0.00 H new ATOM 0 HA THR A 53 11.386 -9.554 -8.266 1.00 0.00 H new ATOM 0 HB THR A 53 12.595 -8.638 -10.212 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.492 -7.013 -11.494 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.973 -9.300 -11.950 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.945 -10.416 -10.564 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.659 -9.201 -10.755 1.00 0.00 H new ATOM 456 N ASP A 54 11.752 -6.294 -7.851 1.00 0.00 N ATOM 457 CA ASP A 54 12.496 -5.254 -7.155 1.00 0.00 C ATOM 458 C ASP A 54 12.513 -5.517 -5.645 1.00 0.00 C ATOM 459 O ASP A 54 11.547 -6.047 -5.096 1.00 0.00 O ATOM 460 CB ASP A 54 11.864 -3.890 -7.454 1.00 0.00 C ATOM 461 CG ASP A 54 12.541 -2.749 -6.721 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.550 -2.226 -7.239 1.00 0.00 O ATOM 463 OD2 ASP A 54 12.063 -2.378 -5.629 1.00 0.00 O ATOM 0 H ASP A 54 10.950 -5.949 -8.379 1.00 0.00 H new ATOM 0 HA ASP A 54 13.527 -5.258 -7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.909 -3.703 -8.527 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.810 -3.916 -7.179 1.00 0.00 H new ATOM 468 N PRO A 55 13.617 -5.158 -4.953 1.00 0.00 N ATOM 469 CA PRO A 55 13.748 -5.363 -3.502 1.00 0.00 C ATOM 470 C PRO A 55 12.643 -4.683 -2.690 1.00 0.00 C ATOM 471 O PRO A 55 12.625 -4.775 -1.463 1.00 0.00 O ATOM 472 CB PRO A 55 15.108 -4.737 -3.170 1.00 0.00 C ATOM 473 CG PRO A 55 15.858 -4.748 -4.456 1.00 0.00 C ATOM 474 CD PRO A 55 14.829 -4.545 -5.530 1.00 0.00 C ATOM 0 HA PRO A 55 13.667 -6.420 -3.247 1.00 0.00 H new ATOM 0 HB2 PRO A 55 14.993 -3.723 -2.788 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.630 -5.309 -2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.608 -3.957 -4.478 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.386 -5.692 -4.593 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.680 -3.488 -5.751 1.00 0.00 H new ATOM 0 HD3 PRO A 55 15.120 -5.028 -6.463 1.00 0.00 H new ATOM 482 N LEU A 56 11.730 -3.999 -3.377 1.00 0.00 N ATOM 483 CA LEU A 56 10.622 -3.314 -2.714 1.00 0.00 C ATOM 484 C LEU A 56 9.883 -4.261 -1.771 1.00 0.00 C ATOM 485 O LEU A 56 9.495 -3.878 -0.667 1.00 0.00 O ATOM 486 CB LEU A 56 9.649 -2.757 -3.757 1.00 0.00 C ATOM 487 CG LEU A 56 8.449 -1.995 -3.189 1.00 0.00 C ATOM 488 CD1 LEU A 56 8.868 -0.616 -2.707 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.348 -1.885 -4.233 1.00 0.00 C ATOM 0 H LEU A 56 11.736 -3.904 -4.393 1.00 0.00 H new ATOM 0 HA LEU A 56 11.032 -2.492 -2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.198 -2.092 -4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.280 -3.584 -4.364 1.00 0.00 H new ATOM 0 HG LEU A 56 8.062 -2.551 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.000 -0.091 -2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.622 -0.717 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.282 -0.049 -3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.502 -1.341 -3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.726 -1.352 -5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.026 -2.883 -4.529 1.00 0.00 H new ATOM 501 N CYS A 57 9.696 -5.500 -2.216 1.00 0.00 N ATOM 502 CA CYS A 57 9.004 -6.506 -1.419 1.00 0.00 C ATOM 503 C CYS A 57 9.869 -6.963 -0.249 1.00 0.00 C ATOM 504 O CYS A 57 9.355 -7.324 0.811 1.00 0.00 O ATOM 505 CB CYS A 57 8.635 -7.708 -2.289 1.00 0.00 C ATOM 506 SG CYS A 57 10.055 -8.530 -3.046 1.00 0.00 S ATOM 0 H CYS A 57 10.015 -5.831 -3.126 1.00 0.00 H new ATOM 0 HA CYS A 57 8.094 -6.056 -1.023 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.091 -8.431 -1.681 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.956 -7.379 -3.076 1.00 0.00 H new ATOM 0 HG CYS A 57 10.687 -7.689 -3.810 1.00 0.00 H new ATOM 512 N GLN A 58 11.182 -6.946 -0.449 1.00 0.00 N ATOM 513 CA GLN A 58 12.118 -7.361 0.589 1.00 0.00 C ATOM 514 C GLN A 58 12.125 -6.366 1.743 1.00 0.00 C ATOM 515 O GLN A 58 12.318 -6.743 2.899 1.00 0.00 O ATOM 516 CB GLN A 58 13.528 -7.501 0.011 1.00 0.00 C ATOM 517 CG GLN A 58 14.516 -8.142 0.971 1.00 0.00 C ATOM 518 CD GLN A 58 14.139 -9.566 1.329 1.00 0.00 C ATOM 519 OE1 GLN A 58 14.547 -10.515 0.659 1.00 0.00 O ATOM 520 NE2 GLN A 58 13.353 -9.722 2.389 1.00 0.00 N ATOM 0 H GLN A 58 11.622 -6.649 -1.320 1.00 0.00 H new ATOM 0 HA GLN A 58 11.793 -8.329 0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.481 -8.097 -0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.896 -6.515 -0.271 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.510 -8.135 0.523 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.572 -7.545 1.881 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.039 -8.907 2.915 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.064 -10.657 2.677 1.00 0.00 H new ATOM 529 N ARG A 59 11.915 -5.092 1.423 1.00 0.00 N ATOM 530 CA ARG A 59 11.892 -4.043 2.435 1.00 0.00 C ATOM 531 C ARG A 59 10.608 -4.116 3.252 1.00 0.00 C ATOM 532 O ARG A 59 10.629 -3.982 4.476 1.00 0.00 O ATOM 533 CB ARG A 59 12.019 -2.666 1.778 1.00 0.00 C ATOM 534 CG ARG A 59 13.258 -2.510 0.914 1.00 0.00 C ATOM 535 CD ARG A 59 14.525 -2.482 1.748 1.00 0.00 C ATOM 536 NE ARG A 59 14.876 -3.803 2.264 1.00 0.00 N ATOM 537 CZ ARG A 59 15.888 -4.027 3.095 1.00 0.00 C ATOM 538 NH1 ARG A 59 16.654 -3.022 3.500 1.00 0.00 N ATOM 539 NH2 ARG A 59 16.136 -5.258 3.522 1.00 0.00 N ATOM 0 H ARG A 59 11.758 -4.762 0.471 1.00 0.00 H new ATOM 0 HA ARG A 59 12.739 -4.193 3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.136 -2.483 1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.032 -1.903 2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.310 -3.333 0.201 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.184 -1.590 0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.347 -2.100 1.143 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.394 -1.791 2.581 1.00 0.00 H new ATOM 0 HE ARG A 59 14.311 -4.600 1.969 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.467 -2.074 3.173 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.430 -3.197 4.138 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.550 -6.033 3.212 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.913 -5.430 4.160 1.00 0.00 H new ATOM 553 N LEU A 60 9.490 -4.326 2.565 1.00 0.00 N ATOM 554 CA LEU A 60 8.193 -4.425 3.222 1.00 0.00 C ATOM 555 C LEU A 60 8.118 -5.682 4.087 1.00 0.00 C ATOM 556 O LEU A 60 7.473 -5.688 5.135 1.00 0.00 O ATOM 557 CB LEU A 60 7.071 -4.440 2.180 1.00 0.00 C ATOM 558 CG LEU A 60 6.980 -3.188 1.301 1.00 0.00 C ATOM 559 CD1 LEU A 60 5.992 -3.406 0.167 1.00 0.00 C ATOM 560 CD2 LEU A 60 6.576 -1.981 2.133 1.00 0.00 C ATOM 0 H LEU A 60 9.457 -4.431 1.551 1.00 0.00 H new ATOM 0 HA LEU A 60 8.070 -3.554 3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.207 -5.308 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.120 -4.572 2.696 1.00 0.00 H new ATOM 0 HG LEU A 60 7.963 -2.997 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.939 -2.507 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.321 -4.246 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.006 -3.622 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.516 -1.101 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.604 -2.163 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.318 -1.812 2.913 1.00 0.00 H new ATOM 572 N ARG A 61 8.784 -6.744 3.640 1.00 0.00 N ATOM 573 CA ARG A 61 8.794 -8.008 4.371 1.00 0.00 C ATOM 574 C ARG A 61 9.782 -7.957 5.533 1.00 0.00 C ATOM 575 O ARG A 61 9.535 -8.530 6.594 1.00 0.00 O ATOM 576 CB ARG A 61 9.150 -9.163 3.433 1.00 0.00 C ATOM 577 CG ARG A 61 9.098 -10.531 4.097 1.00 0.00 C ATOM 578 CD ARG A 61 9.488 -11.634 3.126 1.00 0.00 C ATOM 579 NE ARG A 61 9.402 -12.960 3.735 1.00 0.00 N ATOM 580 CZ ARG A 61 9.484 -14.094 3.045 1.00 0.00 C ATOM 581 NH1 ARG A 61 9.648 -14.064 1.729 1.00 0.00 N ATOM 582 NH2 ARG A 61 9.402 -15.261 3.671 1.00 0.00 N ATOM 0 H ARG A 61 9.324 -6.754 2.775 1.00 0.00 H new ATOM 0 HA ARG A 61 7.795 -8.173 4.774 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.465 -9.155 2.585 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.152 -9.000 3.035 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.769 -10.546 4.956 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.092 -10.716 4.475 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.837 -11.594 2.253 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.505 -11.463 2.774 1.00 0.00 H new ATOM 0 HE ARG A 61 9.272 -13.019 4.745 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.712 -13.169 1.243 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.711 -14.936 1.203 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.276 -15.289 4.683 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.465 -16.130 3.140 1.00 0.00 H new ATOM 596 N GLU A 62 10.902 -7.271 5.324 1.00 0.00 N ATOM 597 CA GLU A 62 11.922 -7.144 6.358 1.00 0.00 C ATOM 598 C GLU A 62 11.344 -6.484 7.603 1.00 0.00 C ATOM 599 O GLU A 62 11.742 -6.796 8.726 1.00 0.00 O ATOM 600 CB GLU A 62 13.112 -6.331 5.839 1.00 0.00 C ATOM 601 CG GLU A 62 14.264 -6.241 6.826 1.00 0.00 C ATOM 602 CD GLU A 62 14.841 -7.599 7.176 1.00 0.00 C ATOM 603 OE1 GLU A 62 15.675 -8.109 6.398 1.00 0.00 O ATOM 604 OE2 GLU A 62 14.459 -8.152 8.230 1.00 0.00 O ATOM 0 H GLU A 62 11.125 -6.796 4.450 1.00 0.00 H new ATOM 0 HA GLU A 62 12.267 -8.144 6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.472 -6.780 4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.774 -5.324 5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.050 -5.614 6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.920 -5.751 7.737 1.00 0.00 H new ATOM 611 N ASN A 63 10.400 -5.571 7.395 1.00 0.00 N ATOM 612 CA ASN A 63 9.756 -4.871 8.499 1.00 0.00 C ATOM 613 C ASN A 63 8.269 -5.196 8.544 1.00 0.00 C ATOM 614 O ASN A 63 7.459 -4.528 7.901 1.00 0.00 O ATOM 615 CB ASN A 63 9.954 -3.360 8.371 1.00 0.00 C ATOM 616 CG ASN A 63 11.416 -2.973 8.253 1.00 0.00 C ATOM 617 OD1 ASN A 63 12.295 -3.649 8.790 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.684 -1.879 7.550 1.00 0.00 N ATOM 0 H ASN A 63 10.065 -5.299 6.471 1.00 0.00 H new ATOM 0 HA ASN A 63 10.219 -5.207 9.427 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.414 -2.999 7.495 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.520 -2.865 9.240 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.649 -1.569 7.438 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.925 -1.349 7.122 1.00 0.00 H new ATOM 625 N ASP A 64 7.921 -6.240 9.291 1.00 0.00 N ATOM 626 CA ASP A 64 6.529 -6.656 9.427 1.00 0.00 C ATOM 627 C ASP A 64 5.641 -5.474 9.810 1.00 0.00 C ATOM 628 O ASP A 64 5.603 -5.060 10.969 1.00 0.00 O ATOM 629 CB ASP A 64 6.407 -7.764 10.475 1.00 0.00 C ATOM 630 CG ASP A 64 7.244 -8.981 10.129 1.00 0.00 C ATOM 631 OD1 ASP A 64 8.424 -9.026 10.538 1.00 0.00 O ATOM 632 OD2 ASP A 64 6.719 -9.888 9.451 1.00 0.00 O ATOM 0 H ASP A 64 8.585 -6.814 9.812 1.00 0.00 H new ATOM 0 HA ASP A 64 6.194 -7.039 8.463 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.716 -7.378 11.446 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.362 -8.059 10.568 1.00 0.00 H new ATOM 637 N ILE A 65 4.932 -4.934 8.823 1.00 0.00 N ATOM 638 CA ILE A 65 4.046 -3.797 9.040 1.00 0.00 C ATOM 639 C ILE A 65 2.639 -4.094 8.529 1.00 0.00 C ATOM 640 O ILE A 65 2.418 -4.211 7.323 1.00 0.00 O ATOM 641 CB ILE A 65 4.588 -2.528 8.344 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.868 -2.040 9.032 1.00 0.00 C ATOM 643 CG2 ILE A 65 3.537 -1.426 8.328 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.681 -1.678 10.491 1.00 0.00 C ATOM 0 H ILE A 65 4.955 -5.269 7.860 1.00 0.00 H new ATOM 0 HA ILE A 65 4.004 -3.620 10.115 1.00 0.00 H new ATOM 0 HB ILE A 65 4.827 -2.785 7.312 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.629 -2.817 8.955 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.247 -1.169 8.497 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.943 -0.544 7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.655 -1.772 7.788 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.260 -1.173 9.351 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.631 -1.342 10.907 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.945 -0.879 10.576 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.333 -2.552 11.041 1.00 0.00 H new ATOM 656 N VAL A 66 1.695 -4.215 9.456 1.00 0.00 N ATOM 657 CA VAL A 66 0.309 -4.491 9.104 1.00 0.00 C ATOM 658 C VAL A 66 -0.308 -3.301 8.375 1.00 0.00 C ATOM 659 O VAL A 66 0.192 -2.180 8.466 1.00 0.00 O ATOM 660 CB VAL A 66 -0.527 -4.819 10.360 1.00 0.00 C ATOM 661 CG1 VAL A 66 -0.548 -3.634 11.312 1.00 0.00 C ATOM 662 CG2 VAL A 66 -1.942 -5.239 9.986 1.00 0.00 C ATOM 0 H VAL A 66 1.866 -4.126 10.458 1.00 0.00 H new ATOM 0 HA VAL A 66 0.302 -5.358 8.443 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.055 -5.660 10.868 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.142 -3.884 12.191 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.470 -3.395 11.618 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.988 -2.772 10.810 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.506 -5.463 10.891 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.431 -4.429 9.445 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.903 -6.126 9.353 1.00 0.00 H new ATOM 672 N GLY A 67 -1.392 -3.553 7.650 1.00 0.00 N ATOM 673 CA GLY A 67 -2.057 -2.495 6.910 1.00 0.00 C ATOM 674 C GLY A 67 -2.611 -1.406 7.810 1.00 0.00 C ATOM 675 O GLY A 67 -3.090 -0.379 7.329 1.00 0.00 O ATOM 0 H GLY A 67 -1.823 -4.473 7.561 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.353 -2.054 6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.870 -2.924 6.324 1.00 0.00 H new ATOM 679 N ASP A 68 -2.547 -1.628 9.120 1.00 0.00 N ATOM 680 CA ASP A 68 -3.049 -0.658 10.087 1.00 0.00 C ATOM 681 C ASP A 68 -2.075 0.506 10.257 1.00 0.00 C ATOM 682 O ASP A 68 -2.385 1.493 10.925 1.00 0.00 O ATOM 683 CB ASP A 68 -3.299 -1.337 11.435 1.00 0.00 C ATOM 684 CG ASP A 68 -3.955 -0.409 12.440 1.00 0.00 C ATOM 685 OD1 ASP A 68 -5.194 -0.259 12.388 1.00 0.00 O ATOM 686 OD2 ASP A 68 -3.231 0.166 13.279 1.00 0.00 O ATOM 0 H ASP A 68 -2.152 -2.472 9.536 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.990 -0.259 9.708 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.932 -2.212 11.286 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.352 -1.694 11.839 1.00 0.00 H new ATOM 691 N LEU A 69 -0.897 0.389 9.650 1.00 0.00 N ATOM 692 CA LEU A 69 0.117 1.437 9.737 1.00 0.00 C ATOM 693 C LEU A 69 0.127 2.303 8.481 1.00 0.00 C ATOM 694 O LEU A 69 0.455 3.487 8.539 1.00 0.00 O ATOM 695 CB LEU A 69 1.510 0.828 9.946 1.00 0.00 C ATOM 696 CG LEU A 69 1.859 0.414 11.380 1.00 0.00 C ATOM 697 CD1 LEU A 69 1.651 1.569 12.348 1.00 0.00 C ATOM 698 CD2 LEU A 69 1.046 -0.797 11.803 1.00 0.00 C ATOM 0 H LEU A 69 -0.621 -0.420 9.093 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.135 2.063 10.593 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.600 -0.049 9.305 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.254 1.549 9.607 1.00 0.00 H new ATOM 0 HG LEU A 69 2.914 0.142 11.404 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.906 1.248 13.358 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.290 2.404 12.061 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.608 1.884 12.320 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.310 -1.074 12.824 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.016 -0.557 11.755 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.260 -1.631 11.134 1.00 0.00 H new ATOM 710 N LEU A 70 -0.232 1.703 7.347 1.00 0.00 N ATOM 711 CA LEU A 70 -0.253 2.412 6.067 1.00 0.00 C ATOM 712 C LEU A 70 -0.939 3.780 6.177 1.00 0.00 C ATOM 713 O LEU A 70 -0.385 4.784 5.726 1.00 0.00 O ATOM 714 CB LEU A 70 -0.939 1.558 4.995 1.00 0.00 C ATOM 715 CG LEU A 70 -0.324 0.174 4.775 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.146 -0.621 3.772 1.00 0.00 C ATOM 717 CD2 LEU A 70 1.118 0.298 4.305 1.00 0.00 C ATOM 0 H LEU A 70 -0.513 0.724 7.288 1.00 0.00 H new ATOM 0 HA LEU A 70 0.783 2.589 5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.987 1.433 5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.918 2.102 4.051 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.330 -0.360 5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.694 -1.602 3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.162 -0.741 4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.172 -0.090 2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.538 -0.696 4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.148 0.851 3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.702 0.828 5.058 1.00 0.00 H new ATOM 729 N PRO A 71 -2.151 3.851 6.771 1.00 0.00 N ATOM 730 CA PRO A 71 -2.882 5.118 6.915 1.00 0.00 C ATOM 731 C PRO A 71 -2.160 6.125 7.808 1.00 0.00 C ATOM 732 O PRO A 71 -2.405 7.328 7.720 1.00 0.00 O ATOM 733 CB PRO A 71 -4.212 4.701 7.560 1.00 0.00 C ATOM 734 CG PRO A 71 -4.319 3.235 7.323 1.00 0.00 C ATOM 735 CD PRO A 71 -2.911 2.725 7.339 1.00 0.00 C ATOM 0 HA PRO A 71 -2.992 5.621 5.954 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -4.221 4.929 8.626 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -5.051 5.234 7.113 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.919 2.755 8.096 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.802 3.026 6.368 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.580 2.482 8.349 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.801 1.820 6.741 1.00 0.00 H new ATOM 743 N GLU A 72 -1.269 5.632 8.667 1.00 0.00 N ATOM 744 CA GLU A 72 -0.529 6.502 9.579 1.00 0.00 C ATOM 745 C GLU A 72 0.965 6.521 9.261 1.00 0.00 C ATOM 746 O GLU A 72 1.773 6.966 10.077 1.00 0.00 O ATOM 747 CB GLU A 72 -0.744 6.058 11.028 1.00 0.00 C ATOM 748 CG GLU A 72 -0.229 4.659 11.322 1.00 0.00 C ATOM 749 CD GLU A 72 -0.421 4.261 12.772 1.00 0.00 C ATOM 750 OE1 GLU A 72 0.471 4.560 13.593 1.00 0.00 O ATOM 751 OE2 GLU A 72 -1.463 3.649 13.086 1.00 0.00 O ATOM 0 H GLU A 72 -1.043 4.641 8.750 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.913 7.514 9.446 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.248 6.765 11.693 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.809 6.099 11.257 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.745 3.944 10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.830 4.606 11.071 1.00 0.00 H new ATOM 758 N LEU A 73 1.332 6.043 8.075 1.00 0.00 N ATOM 759 CA LEU A 73 2.734 6.021 7.665 1.00 0.00 C ATOM 760 C LEU A 73 3.076 7.246 6.824 1.00 0.00 C ATOM 761 O LEU A 73 2.542 7.430 5.730 1.00 0.00 O ATOM 762 CB LEU A 73 3.050 4.743 6.883 1.00 0.00 C ATOM 763 CG LEU A 73 3.369 3.515 7.741 1.00 0.00 C ATOM 764 CD1 LEU A 73 3.479 2.272 6.871 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.655 3.728 8.525 1.00 0.00 C ATOM 0 H LEU A 73 0.682 5.668 7.384 1.00 0.00 H new ATOM 0 HA LEU A 73 3.345 6.040 8.568 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.199 4.508 6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.898 4.938 6.227 1.00 0.00 H new ATOM 0 HG LEU A 73 2.553 3.372 8.450 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.706 1.409 7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.535 2.106 6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.275 2.409 6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.864 2.844 9.128 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.479 3.898 7.832 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.544 4.594 9.177 1.00 0.00 H new ATOM 777 N CYS A 74 3.969 8.082 7.346 1.00 0.00 N ATOM 778 CA CYS A 74 4.387 9.293 6.649 1.00 0.00 C ATOM 779 C CYS A 74 5.281 8.959 5.460 1.00 0.00 C ATOM 780 O CYS A 74 5.659 7.805 5.260 1.00 0.00 O ATOM 781 CB CYS A 74 5.122 10.228 7.610 1.00 0.00 C ATOM 782 SG CYS A 74 4.126 10.767 9.019 1.00 0.00 S ATOM 0 H CYS A 74 4.418 7.942 8.251 1.00 0.00 H new ATOM 0 HA CYS A 74 3.494 9.794 6.275 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.014 9.723 7.981 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.459 11.106 7.059 1.00 0.00 H new ATOM 0 HG CYS A 74 4.834 11.552 9.776 1.00 0.00 H new ATOM 788 N LEU A 75 5.617 9.978 4.674 1.00 0.00 N ATOM 789 CA LEU A 75 6.465 9.794 3.502 1.00 0.00 C ATOM 790 C LEU A 75 7.867 9.344 3.901 1.00 0.00 C ATOM 791 O LEU A 75 8.609 8.802 3.082 1.00 0.00 O ATOM 792 CB LEU A 75 6.546 11.091 2.689 1.00 0.00 C ATOM 793 CG LEU A 75 5.398 11.322 1.700 1.00 0.00 C ATOM 794 CD1 LEU A 75 5.380 10.233 0.638 1.00 0.00 C ATOM 795 CD2 LEU A 75 4.062 11.381 2.427 1.00 0.00 C ATOM 0 H LEU A 75 5.314 10.940 4.828 1.00 0.00 H new ATOM 0 HA LEU A 75 6.016 9.015 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.581 11.932 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.485 11.095 2.136 1.00 0.00 H new ATOM 0 HG LEU A 75 5.561 12.281 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.558 10.414 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.323 10.241 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.245 9.262 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.262 11.546 1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.891 10.440 2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.075 12.199 3.147 1.00 0.00 H new ATOM 807 N GLN A 76 8.224 9.570 5.162 1.00 0.00 N ATOM 808 CA GLN A 76 9.538 9.182 5.662 1.00 0.00 C ATOM 809 C GLN A 76 9.693 7.665 5.666 1.00 0.00 C ATOM 810 O GLN A 76 10.587 7.121 5.017 1.00 0.00 O ATOM 811 CB GLN A 76 9.757 9.736 7.073 1.00 0.00 C ATOM 812 CG GLN A 76 11.044 9.251 7.726 1.00 0.00 C ATOM 813 CD GLN A 76 12.256 9.429 6.832 1.00 0.00 C ATOM 814 OE1 GLN A 76 12.611 8.536 6.062 1.00 0.00 O ATOM 815 NE2 GLN A 76 12.898 10.586 6.928 1.00 0.00 N ATOM 0 H GLN A 76 7.624 10.018 5.854 1.00 0.00 H new ATOM 0 HA GLN A 76 10.291 9.603 4.996 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.770 10.825 7.029 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.912 9.453 7.701 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.201 9.795 8.657 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.940 8.197 7.986 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.570 11.299 7.579 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.720 10.763 6.350 1.00 0.00 H new ATOM 824 N ASP A 77 8.817 6.988 6.400 1.00 0.00 N ATOM 825 CA ASP A 77 8.855 5.533 6.490 1.00 0.00 C ATOM 826 C ASP A 77 8.635 4.898 5.121 1.00 0.00 C ATOM 827 O ASP A 77 9.155 3.818 4.837 1.00 0.00 O ATOM 828 CB ASP A 77 7.795 5.035 7.473 1.00 0.00 C ATOM 829 CG ASP A 77 8.009 5.571 8.874 1.00 0.00 C ATOM 830 OD1 ASP A 77 7.554 6.700 9.155 1.00 0.00 O ATOM 831 OD2 ASP A 77 8.629 4.860 9.694 1.00 0.00 O ATOM 0 H ASP A 77 8.071 7.424 6.942 1.00 0.00 H new ATOM 0 HA ASP A 77 9.841 5.241 6.851 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.808 5.333 7.120 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.810 3.945 7.498 1.00 0.00 H new ATOM 836 N CYS A 78 7.864 5.573 4.276 1.00 0.00 N ATOM 837 CA CYS A 78 7.576 5.074 2.937 1.00 0.00 C ATOM 838 C CYS A 78 8.806 5.164 2.042 1.00 0.00 C ATOM 839 O CYS A 78 9.061 4.275 1.230 1.00 0.00 O ATOM 840 CB CYS A 78 6.420 5.859 2.314 1.00 0.00 C ATOM 841 SG CYS A 78 4.858 5.711 3.212 1.00 0.00 S ATOM 0 H CYS A 78 7.427 6.468 4.495 1.00 0.00 H new ATOM 0 HA CYS A 78 7.290 4.026 3.024 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.697 6.912 2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.272 5.516 1.290 1.00 0.00 H new ATOM 0 HG CYS A 78 4.853 6.541 4.213 1.00 0.00 H new ATOM 847 N GLN A 79 9.569 6.244 2.195 1.00 0.00 N ATOM 848 CA GLN A 79 10.773 6.443 1.398 1.00 0.00 C ATOM 849 C GLN A 79 11.819 5.388 1.738 1.00 0.00 C ATOM 850 O GLN A 79 12.476 4.841 0.851 1.00 0.00 O ATOM 851 CB GLN A 79 11.344 7.842 1.631 1.00 0.00 C ATOM 852 CG GLN A 79 12.314 8.288 0.547 1.00 0.00 C ATOM 853 CD GLN A 79 13.046 9.573 0.892 1.00 0.00 C ATOM 854 OE1 GLN A 79 14.188 9.776 0.479 1.00 0.00 O ATOM 855 NE2 GLN A 79 12.395 10.452 1.648 1.00 0.00 N ATOM 0 H GLN A 79 9.374 6.991 2.862 1.00 0.00 H new ATOM 0 HA GLN A 79 10.506 6.345 0.346 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.523 8.556 1.689 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.853 7.862 2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.044 7.497 0.373 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.767 8.428 -0.386 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.449 10.246 1.970 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.841 11.332 1.906 1.00 0.00 H new ATOM 864 N ASP A 80 11.972 5.114 3.030 1.00 0.00 N ATOM 865 CA ASP A 80 12.927 4.113 3.493 1.00 0.00 C ATOM 866 C ASP A 80 12.567 2.742 2.937 1.00 0.00 C ATOM 867 O ASP A 80 13.439 1.957 2.564 1.00 0.00 O ATOM 868 CB ASP A 80 12.942 4.064 5.021 1.00 0.00 C ATOM 869 CG ASP A 80 13.980 3.099 5.558 1.00 0.00 C ATOM 870 OD1 ASP A 80 15.132 3.528 5.779 1.00 0.00 O ATOM 871 OD2 ASP A 80 13.642 1.913 5.757 1.00 0.00 O ATOM 0 H ASP A 80 11.447 5.571 3.775 1.00 0.00 H new ATOM 0 HA ASP A 80 13.919 4.390 3.136 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.141 5.062 5.412 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.956 3.771 5.382 1.00 0.00 H new ATOM 876 N LEU A 81 11.268 2.467 2.887 1.00 0.00 N ATOM 877 CA LEU A 81 10.762 1.200 2.376 1.00 0.00 C ATOM 878 C LEU A 81 11.075 1.052 0.890 1.00 0.00 C ATOM 879 O LEU A 81 10.956 -0.035 0.325 1.00 0.00 O ATOM 880 CB LEU A 81 9.252 1.114 2.612 1.00 0.00 C ATOM 881 CG LEU A 81 8.817 0.348 3.868 1.00 0.00 C ATOM 882 CD1 LEU A 81 9.744 0.635 5.041 1.00 0.00 C ATOM 883 CD2 LEU A 81 7.386 0.709 4.229 1.00 0.00 C ATOM 0 H LEU A 81 10.541 3.112 3.197 1.00 0.00 H new ATOM 0 HA LEU A 81 11.255 0.387 2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.854 2.127 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.794 0.641 1.744 1.00 0.00 H new ATOM 0 HG LEU A 81 8.874 -0.718 3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.408 0.077 5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.759 0.332 4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.729 1.702 5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.086 0.160 5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.318 1.780 4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.725 0.446 3.403 1.00 0.00 H new ATOM 895 N CYS A 82 11.473 2.155 0.267 1.00 0.00 N ATOM 896 CA CYS A 82 11.808 2.157 -1.151 1.00 0.00 C ATOM 897 C CYS A 82 13.322 2.153 -1.347 1.00 0.00 C ATOM 898 O CYS A 82 14.080 2.197 -0.379 1.00 0.00 O ATOM 899 CB CYS A 82 11.196 3.381 -1.835 1.00 0.00 C ATOM 900 SG CYS A 82 9.398 3.485 -1.681 1.00 0.00 S ATOM 0 H CYS A 82 11.572 3.062 0.724 1.00 0.00 H new ATOM 0 HA CYS A 82 11.397 1.254 -1.602 1.00 0.00 H new ATOM 0 HB2 CYS A 82 11.640 4.282 -1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 82 11.460 3.364 -2.892 1.00 0.00 H new ATOM 0 HG CYS A 82 9.081 3.715 -0.441 1.00 0.00 H new ATOM 906 N ASP A 83 13.754 2.099 -2.602 1.00 0.00 N ATOM 907 CA ASP A 83 15.179 2.088 -2.918 1.00 0.00 C ATOM 908 C ASP A 83 15.834 3.408 -2.524 1.00 0.00 C ATOM 909 O ASP A 83 17.007 3.443 -2.152 1.00 0.00 O ATOM 910 CB ASP A 83 15.389 1.823 -4.410 1.00 0.00 C ATOM 911 CG ASP A 83 14.838 0.477 -4.839 1.00 0.00 C ATOM 912 OD1 ASP A 83 13.632 0.404 -5.158 1.00 0.00 O ATOM 913 OD2 ASP A 83 15.610 -0.504 -4.854 1.00 0.00 O ATOM 0 H ASP A 83 13.140 2.062 -3.416 1.00 0.00 H new ATOM 0 HA ASP A 83 15.648 1.288 -2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 83 14.907 2.611 -4.988 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.454 1.866 -4.638 1.00 0.00 H new ATOM 918 N GLY A 84 15.067 4.491 -2.607 1.00 0.00 N ATOM 919 CA GLY A 84 15.589 5.799 -2.255 1.00 0.00 C ATOM 920 C GLY A 84 14.919 6.918 -3.026 1.00 0.00 C ATOM 921 O GLY A 84 15.006 8.085 -2.643 1.00 0.00 O ATOM 0 H GLY A 84 14.094 4.486 -2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.452 5.966 -1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.662 5.822 -2.446 1.00 0.00 H new ATOM 925 N ASP A 85 14.248 6.562 -4.117 1.00 0.00 N ATOM 926 CA ASP A 85 13.561 7.536 -4.948 1.00 0.00 C ATOM 927 C ASP A 85 12.296 8.044 -4.265 1.00 0.00 C ATOM 928 O ASP A 85 11.359 7.281 -4.027 1.00 0.00 O ATOM 929 CB ASP A 85 13.212 6.910 -6.295 1.00 0.00 C ATOM 930 CG ASP A 85 14.252 7.203 -7.358 1.00 0.00 C ATOM 931 OD1 ASP A 85 15.226 6.430 -7.464 1.00 0.00 O ATOM 932 OD2 ASP A 85 14.092 8.207 -8.085 1.00 0.00 O ATOM 0 H ASP A 85 14.167 5.600 -4.445 1.00 0.00 H new ATOM 0 HA ASP A 85 14.226 8.385 -5.104 1.00 0.00 H new ATOM 0 HB2 ASP A 85 13.113 5.831 -6.176 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.243 7.284 -6.626 1.00 0.00 H new ATOM 937 N LEU A 86 12.276 9.335 -3.954 1.00 0.00 N ATOM 938 CA LEU A 86 11.124 9.945 -3.301 1.00 0.00 C ATOM 939 C LEU A 86 9.874 9.795 -4.162 1.00 0.00 C ATOM 940 O LEU A 86 8.786 9.537 -3.649 1.00 0.00 O ATOM 941 CB LEU A 86 11.394 11.425 -3.018 1.00 0.00 C ATOM 942 CG LEU A 86 10.262 12.171 -2.306 1.00 0.00 C ATOM 943 CD1 LEU A 86 9.986 11.555 -0.942 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.607 13.647 -2.165 1.00 0.00 C ATOM 0 H LEU A 86 13.044 9.979 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 86 10.956 9.430 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.297 11.504 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.600 11.927 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 86 9.359 12.082 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.178 12.100 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.696 10.511 -1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.885 11.612 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.793 14.164 -1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.523 13.753 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.753 14.083 -3.153 1.00 0.00 H new ATOM 956 N ASN A 87 10.042 9.954 -5.474 1.00 0.00 N ATOM 957 CA ASN A 87 8.931 9.834 -6.417 1.00 0.00 C ATOM 958 C ASN A 87 8.149 8.552 -6.163 1.00 0.00 C ATOM 959 O ASN A 87 6.916 8.553 -6.138 1.00 0.00 O ATOM 960 CB ASN A 87 9.460 9.835 -7.850 1.00 0.00 C ATOM 961 CG ASN A 87 8.375 10.130 -8.867 1.00 0.00 C ATOM 962 OD1 ASN A 87 8.139 11.284 -9.223 1.00 0.00 O ATOM 963 ND2 ASN A 87 7.707 9.084 -9.340 1.00 0.00 N ATOM 0 H ASN A 87 10.940 10.167 -5.909 1.00 0.00 H new ATOM 0 HA ASN A 87 8.266 10.686 -6.275 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.252 10.579 -7.942 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.906 8.865 -8.070 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.965 9.221 -10.026 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.936 8.144 -9.017 1.00 0.00 H new ATOM 970 N LYS A 88 8.883 7.462 -5.983 1.00 0.00 N ATOM 971 CA LYS A 88 8.280 6.163 -5.723 1.00 0.00 C ATOM 972 C LYS A 88 7.308 6.248 -4.549 1.00 0.00 C ATOM 973 O LYS A 88 6.235 5.644 -4.570 1.00 0.00 O ATOM 974 CB LYS A 88 9.378 5.135 -5.432 1.00 0.00 C ATOM 975 CG LYS A 88 8.853 3.770 -5.012 1.00 0.00 C ATOM 976 CD LYS A 88 8.147 3.053 -6.154 1.00 0.00 C ATOM 977 CE LYS A 88 9.134 2.398 -7.111 1.00 0.00 C ATOM 978 NZ LYS A 88 9.905 3.399 -7.901 1.00 0.00 N ATOM 0 H LYS A 88 9.903 7.453 -6.013 1.00 0.00 H new ATOM 0 HA LYS A 88 7.721 5.850 -6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.996 5.017 -6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.024 5.522 -4.644 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.681 3.157 -4.656 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.163 3.889 -4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.478 2.295 -5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.528 3.764 -6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.826 1.774 -6.545 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.594 1.739 -7.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.081 3.026 -8.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.360 4.282 -7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.813 3.588 -7.430 1.00 0.00 H new ATOM 992 N ALA A 89 7.690 7.015 -3.530 1.00 0.00 N ATOM 993 CA ALA A 89 6.852 7.185 -2.351 1.00 0.00 C ATOM 994 C ALA A 89 5.554 7.904 -2.700 1.00 0.00 C ATOM 995 O ALA A 89 4.489 7.548 -2.199 1.00 0.00 O ATOM 996 CB ALA A 89 7.603 7.939 -1.264 1.00 0.00 C ATOM 0 H ALA A 89 8.572 7.526 -3.499 1.00 0.00 H new ATOM 0 HA ALA A 89 6.599 6.194 -1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.960 8.056 -0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.496 7.380 -0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.892 8.922 -1.636 1.00 0.00 H new ATOM 1002 N ILE A 90 5.645 8.924 -3.552 1.00 0.00 N ATOM 1003 CA ILE A 90 4.473 9.673 -3.971 1.00 0.00 C ATOM 1004 C ILE A 90 3.395 8.729 -4.495 1.00 0.00 C ATOM 1005 O ILE A 90 2.250 8.771 -4.047 1.00 0.00 O ATOM 1006 CB ILE A 90 4.847 10.698 -5.060 1.00 0.00 C ATOM 1007 CG1 ILE A 90 5.520 11.929 -4.447 1.00 0.00 C ATOM 1008 CG2 ILE A 90 3.620 11.112 -5.862 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.511 11.628 -3.346 1.00 0.00 C ATOM 0 H ILE A 90 6.521 9.247 -3.963 1.00 0.00 H new ATOM 0 HA ILE A 90 4.083 10.207 -3.105 1.00 0.00 H new ATOM 0 HB ILE A 90 5.556 10.219 -5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.032 12.477 -5.238 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.748 12.588 -4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.910 11.836 -6.624 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.186 10.235 -6.342 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.885 11.562 -5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.936 12.560 -2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.004 11.110 -2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.309 10.997 -3.737 1.00 0.00 H new ATOM 1021 N LYS A 91 3.773 7.875 -5.444 1.00 0.00 N ATOM 1022 CA LYS A 91 2.840 6.912 -6.018 1.00 0.00 C ATOM 1023 C LYS A 91 2.279 6.006 -4.930 1.00 0.00 C ATOM 1024 O LYS A 91 1.125 5.580 -4.989 1.00 0.00 O ATOM 1025 CB LYS A 91 3.532 6.068 -7.093 1.00 0.00 C ATOM 1026 CG LYS A 91 4.075 6.886 -8.256 1.00 0.00 C ATOM 1027 CD LYS A 91 2.958 7.561 -9.042 1.00 0.00 C ATOM 1028 CE LYS A 91 2.092 6.546 -9.772 1.00 0.00 C ATOM 1029 NZ LYS A 91 2.872 5.769 -10.775 1.00 0.00 N ATOM 0 H LYS A 91 4.716 7.831 -5.830 1.00 0.00 H new ATOM 0 HA LYS A 91 2.020 7.463 -6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.352 5.514 -6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.825 5.332 -7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.763 7.643 -7.879 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.647 6.238 -8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.338 8.147 -8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.389 8.257 -9.762 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.647 5.862 -9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.271 7.061 -10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.219 5.252 -11.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.451 6.419 -11.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.491 5.092 -10.285 1.00 0.00 H new ATOM 1043 N PHE A 92 3.113 5.715 -3.937 1.00 0.00 N ATOM 1044 CA PHE A 92 2.722 4.865 -2.819 1.00 0.00 C ATOM 1045 C PHE A 92 1.574 5.498 -2.034 1.00 0.00 C ATOM 1046 O PHE A 92 0.485 4.929 -1.936 1.00 0.00 O ATOM 1047 CB PHE A 92 3.932 4.629 -1.909 1.00 0.00 C ATOM 1048 CG PHE A 92 3.728 3.567 -0.867 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.297 2.298 -1.219 1.00 0.00 C ATOM 1050 CD2 PHE A 92 3.984 3.838 0.468 1.00 0.00 C ATOM 1051 CE1 PHE A 92 3.123 1.318 -0.259 1.00 0.00 C ATOM 1052 CE2 PHE A 92 3.809 2.865 1.432 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.379 1.603 1.069 1.00 0.00 C ATOM 0 H PHE A 92 4.072 6.059 -3.885 1.00 0.00 H new ATOM 0 HA PHE A 92 2.374 3.907 -3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.787 4.355 -2.526 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.185 5.565 -1.411 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.095 2.072 -2.255 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.324 4.821 0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.788 0.332 -0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.008 3.090 2.469 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.243 0.841 1.822 1.00 0.00 H new ATOM 1063 N LYS A 93 1.825 6.683 -1.488 1.00 0.00 N ATOM 1064 CA LYS A 93 0.822 7.403 -0.709 1.00 0.00 C ATOM 1065 C LYS A 93 -0.434 7.673 -1.536 1.00 0.00 C ATOM 1066 O LYS A 93 -1.524 7.836 -0.987 1.00 0.00 O ATOM 1067 CB LYS A 93 1.404 8.727 -0.201 1.00 0.00 C ATOM 1068 CG LYS A 93 0.460 9.510 0.698 1.00 0.00 C ATOM 1069 CD LYS A 93 0.222 8.794 2.019 1.00 0.00 C ATOM 1070 CE LYS A 93 -0.711 9.585 2.921 1.00 0.00 C ATOM 1071 NZ LYS A 93 -2.050 9.780 2.301 1.00 0.00 N ATOM 0 H LYS A 93 2.719 7.168 -1.571 1.00 0.00 H new ATOM 0 HA LYS A 93 0.543 6.778 0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.324 8.522 0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.673 9.347 -1.057 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.876 10.499 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.491 9.658 0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.203 7.809 1.829 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.174 8.638 2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.824 9.065 3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.267 10.556 3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.714 10.139 3.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.975 10.465 1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.397 8.872 1.931 1.00 0.00 H new ATOM 1085 N ILE A 94 -0.276 7.714 -2.856 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.400 7.971 -3.753 1.00 0.00 C ATOM 1087 C ILE A 94 -2.382 6.804 -3.778 1.00 0.00 C ATOM 1088 O ILE A 94 -3.519 6.935 -3.328 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.923 8.256 -5.192 1.00 0.00 C ATOM 1090 CG1 ILE A 94 -0.383 9.685 -5.299 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -2.061 8.032 -6.183 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.299 9.979 -6.618 1.00 0.00 C ATOM 0 H ILE A 94 0.617 7.573 -3.328 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.907 8.853 -3.362 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.116 7.565 -5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.206 10.386 -5.161 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.324 9.859 -4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.709 8.237 -7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.400 6.998 -6.120 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.888 8.701 -5.944 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.656 11.009 -6.622 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.143 9.302 -6.750 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.410 9.838 -7.434 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.944 5.672 -4.324 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.794 4.490 -4.419 1.00 0.00 C ATOM 1106 C LEU A 95 -3.453 4.188 -3.081 1.00 0.00 C ATOM 1107 O LEU A 95 -4.580 3.693 -3.028 1.00 0.00 O ATOM 1108 CB LEU A 95 -1.982 3.280 -4.888 1.00 0.00 C ATOM 1109 CG LEU A 95 -1.295 3.445 -6.245 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -0.469 2.213 -6.574 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -2.321 3.704 -7.340 1.00 0.00 C ATOM 0 H LEU A 95 -1.006 5.549 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.575 4.695 -5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.222 3.059 -4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.643 2.415 -4.936 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.629 4.306 -6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.013 2.346 -7.542 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.292 2.069 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.118 1.338 -6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.811 3.818 -8.297 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.013 2.864 -7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.874 4.615 -7.112 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.744 4.494 -2.001 1.00 0.00 N ATOM 1124 CA ILE A 96 -3.261 4.257 -0.664 1.00 0.00 C ATOM 1125 C ILE A 96 -4.280 5.323 -0.265 1.00 0.00 C ATOM 1126 O ILE A 96 -5.219 5.049 0.483 1.00 0.00 O ATOM 1127 CB ILE A 96 -2.119 4.211 0.371 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -1.097 3.147 -0.034 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.667 3.928 1.763 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.239 3.287 0.662 1.00 0.00 C ATOM 0 H ILE A 96 -1.811 4.906 -2.027 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.761 3.289 -0.678 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.625 5.183 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.508 2.161 0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.942 3.197 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.845 3.900 2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.367 4.714 2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.182 2.967 1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.910 2.498 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.673 4.258 0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.098 3.206 1.740 1.00 0.00 H new ATOM 1142 N ASN A 97 -4.093 6.536 -0.776 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.998 7.642 -0.479 1.00 0.00 C ATOM 1144 C ASN A 97 -6.363 7.422 -1.126 1.00 0.00 C ATOM 1145 O ASN A 97 -7.398 7.521 -0.463 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.401 8.963 -0.964 1.00 0.00 C ATOM 1147 CG ASN A 97 -5.320 10.141 -0.706 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -5.249 10.781 0.343 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -6.192 10.431 -1.665 1.00 0.00 N ATOM 0 H ASN A 97 -3.322 6.779 -1.398 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.131 7.685 0.602 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.447 9.133 -0.464 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.193 8.895 -2.032 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.838 11.212 -1.548 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.216 9.873 -2.519 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.360 7.126 -2.422 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.599 6.894 -3.158 1.00 0.00 C ATOM 1158 C LYS A 98 -8.351 5.690 -2.604 1.00 0.00 C ATOM 1159 O LYS A 98 -9.554 5.764 -2.349 1.00 0.00 O ATOM 1160 CB LYS A 98 -7.309 6.689 -4.647 1.00 0.00 C ATOM 1161 CG LYS A 98 -7.092 7.984 -5.413 1.00 0.00 C ATOM 1162 CD LYS A 98 -5.795 8.668 -5.008 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.635 10.011 -5.701 1.00 0.00 C ATOM 1164 NZ LYS A 98 -6.751 10.939 -5.372 1.00 0.00 N ATOM 0 H LYS A 98 -5.513 7.041 -2.985 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.227 7.776 -3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.423 6.063 -4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.139 6.146 -5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.074 7.775 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.930 8.658 -5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.779 8.811 -3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.950 8.026 -5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.688 10.462 -5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.593 9.861 -6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.476 11.912 -5.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.596 10.673 -5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.962 10.881 -4.355 1.00 0.00 H new ATOM 1178 N MET A 99 -7.639 4.582 -2.420 1.00 0.00 N ATOM 1179 CA MET A 99 -8.247 3.363 -1.897 1.00 0.00 C ATOM 1180 C MET A 99 -8.928 3.635 -0.559 1.00 0.00 C ATOM 1181 O MET A 99 -9.992 3.088 -0.269 1.00 0.00 O ATOM 1182 CB MET A 99 -7.187 2.268 -1.738 1.00 0.00 C ATOM 1183 CG MET A 99 -7.764 0.872 -1.546 1.00 0.00 C ATOM 1184 SD MET A 99 -8.449 0.608 0.103 1.00 0.00 S ATOM 1185 CE MET A 99 -6.994 0.837 1.121 1.00 0.00 C ATOM 0 H MET A 99 -6.643 4.503 -2.625 1.00 0.00 H new ATOM 0 HA MET A 99 -9.001 3.022 -2.606 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.545 2.267 -2.619 1.00 0.00 H new ATOM 0 HB3 MET A 99 -6.555 2.510 -0.884 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.544 0.703 -2.288 1.00 0.00 H new ATOM 0 HG3 MET A 99 -6.983 0.134 -1.731 1.00 0.00 H new ATOM 0 HE1 MET A 99 -6.975 0.079 1.904 1.00 0.00 H new ATOM 0 HE2 MET A 99 -6.100 0.744 0.504 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.020 1.828 1.575 1.00 0.00 H new ATOM 1195 N ARG A 100 -8.309 4.491 0.248 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.848 4.841 1.556 1.00 0.00 C ATOM 1197 C ARG A 100 -10.232 5.473 1.427 1.00 0.00 C ATOM 1198 O ARG A 100 -11.228 4.901 1.868 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.895 5.797 2.279 1.00 0.00 C ATOM 1200 CG ARG A 100 -8.258 6.045 3.735 1.00 0.00 C ATOM 1201 CD ARG A 100 -9.203 7.227 3.888 1.00 0.00 C ATOM 1202 NE ARG A 100 -9.627 7.411 5.272 1.00 0.00 N ATOM 1203 CZ ARG A 100 -10.328 8.457 5.698 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -10.682 9.413 4.850 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -10.676 8.548 6.974 1.00 0.00 N ATOM 0 H ARG A 100 -7.431 4.956 0.017 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.946 3.926 2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.884 5.392 2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.882 6.750 1.751 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.723 5.151 4.151 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -7.350 6.229 4.310 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.710 8.133 3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.079 7.075 3.257 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.371 6.695 5.952 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -10.416 9.347 3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -11.220 10.214 5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.406 7.815 7.630 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.214 9.351 7.300 1.00 0.00 H new ATOM 1219 N ASP A 101 -10.284 6.655 0.819 1.00 0.00 N ATOM 1220 CA ASP A 101 -11.545 7.367 0.639 1.00 0.00 C ATOM 1221 C ASP A 101 -12.373 6.744 -0.480 1.00 0.00 C ATOM 1222 O ASP A 101 -13.403 6.117 -0.228 1.00 0.00 O ATOM 1223 CB ASP A 101 -11.281 8.841 0.331 1.00 0.00 C ATOM 1224 CG ASP A 101 -12.563 9.644 0.213 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -13.046 10.147 1.248 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -13.084 9.768 -0.916 1.00 0.00 O ATOM 0 H ASP A 101 -9.469 7.139 0.443 1.00 0.00 H new ATOM 0 HA ASP A 101 -12.110 7.290 1.568 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.659 9.268 1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.718 8.920 -0.599 1.00 0.00 H new