USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 798 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 102 GLN : amide:sc= -0.18 K(o=-5,f=-6.7) USER MOD Set 1.2: B 13 ASN : amide:sc= -4.86! C(o=-5!,f=-10!) USER MOD Set 2.1: A 61 CYS SG : rot 101:sc= -1.5 USER MOD Set 2.2: A 76 SER OG : rot -121:sc= 1.87 USER MOD Set 2.3: A 80 CYS SG : rot -65:sc= 1.86 USER MOD Set 2.4: A 82 THR OG1 : rot 145:sc= 0.531 USER MOD Set 3.1: A 17 HIS : no HD1:sc= -5.09! C(o=-4.9!,f=-11!) USER MOD Set 3.2: A 19 THR OG1 : rot 3:sc= 0.169 USER MOD Single : A 16 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.9!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.89!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -163:sc= -1.16 (180deg=-1.67) USER MOD Single : A 41 THR OG1 : rot -38:sc= 0.936 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 160:sc= 0.617 USER MOD Single : A 65 TYR OH : rot 96:sc= 0.321 USER MOD Single : A 67 TYR OH : rot 101:sc= 1.25 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -2.3! C(o=-2.3!,f=-2.9!) USER MOD Single : A 73 SER OG : rot 38:sc= 0.345 USER MOD Single : A 81 GLN : amide:sc=-0.000301 X(o=-0.0003,f=-0.42) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 90 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0723) USER MOD Single : A 91 CYS SG : rot 50:sc= 0.278 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.37 X(o=-1.4,f=-0.96) USER MOD Single : A 105 MET CE :methyl -134:sc= -0.645 (180deg=-1.52) USER MOD Single : B 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 9 CYS SG : rot 70:sc= -4.48! USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 14 16.290 12.039 -6.892 1.00 0.00 N ATOM 163 CA PRO A 14 15.250 12.179 -7.917 1.00 0.00 C ATOM 164 C PRO A 14 13.930 11.545 -7.494 1.00 0.00 C ATOM 165 O PRO A 14 13.816 11.000 -6.396 1.00 0.00 O ATOM 166 CB PRO A 14 15.838 11.440 -9.121 1.00 0.00 C ATOM 167 CG PRO A 14 16.788 10.454 -8.535 1.00 0.00 C ATOM 168 CD PRO A 14 17.353 11.107 -7.303 1.00 0.00 C ATOM 0 HA PRO A 14 15.011 13.224 -8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.059 10.943 -9.699 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.348 12.127 -9.797 1.00 0.00 H new ATOM 0 HG2 PRO A 14 16.280 9.523 -8.285 1.00 0.00 H new ATOM 0 HG3 PRO A 14 17.579 10.205 -9.243 1.00 0.00 H new ATOM 0 HD2 PRO A 14 17.569 10.376 -6.524 1.00 0.00 H new ATOM 0 HD3 PRO A 14 18.285 11.630 -7.517 1.00 0.00 H new ATOM 176 N ASP A 15 12.936 11.618 -8.372 1.00 0.00 N ATOM 177 CA ASP A 15 11.623 11.049 -8.090 1.00 0.00 C ATOM 178 C ASP A 15 11.506 9.641 -8.666 1.00 0.00 C ATOM 179 O ASP A 15 10.430 9.045 -8.660 1.00 0.00 O ATOM 180 CB ASP A 15 10.522 11.941 -8.666 1.00 0.00 C ATOM 181 CG ASP A 15 10.766 12.296 -10.119 1.00 0.00 C ATOM 182 OD1 ASP A 15 10.603 11.407 -10.982 1.00 0.00 O ATOM 183 OD2 ASP A 15 11.117 13.462 -10.394 1.00 0.00 O ATOM 0 H ASP A 15 13.014 12.066 -9.285 1.00 0.00 H new ATOM 0 HA ASP A 15 11.505 10.991 -7.008 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.562 11.433 -8.575 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.455 12.856 -8.078 1.00 0.00 H new ATOM 188 N ASN A 16 12.621 9.116 -9.163 1.00 0.00 N ATOM 189 CA ASN A 16 12.644 7.778 -9.743 1.00 0.00 C ATOM 190 C ASN A 16 13.776 6.946 -9.150 1.00 0.00 C ATOM 191 O ASN A 16 14.139 5.898 -9.687 1.00 0.00 O ATOM 192 CB ASN A 16 12.800 7.862 -11.263 1.00 0.00 C ATOM 193 CG ASN A 16 11.503 8.231 -11.958 1.00 0.00 C ATOM 194 OD1 ASN A 16 10.506 8.546 -11.309 1.00 0.00 O ATOM 195 ND2 ASN A 16 11.512 8.192 -13.285 1.00 0.00 N ATOM 0 H ASN A 16 13.521 9.597 -9.176 1.00 0.00 H new ATOM 0 HA ASN A 16 11.698 7.291 -9.507 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.563 8.601 -11.507 1.00 0.00 H new ATOM 0 HB3 ASN A 16 13.153 6.903 -11.643 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.669 8.429 -13.808 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.362 7.925 -13.782 1.00 0.00 H new ATOM 202 N HIS A 17 14.331 7.419 -8.039 1.00 0.00 N ATOM 203 CA HIS A 17 15.422 6.718 -7.371 1.00 0.00 C ATOM 204 C HIS A 17 15.045 5.267 -7.090 1.00 0.00 C ATOM 205 O HIS A 17 13.918 4.958 -6.700 1.00 0.00 O ATOM 206 CB HIS A 17 15.787 7.425 -6.065 1.00 0.00 C ATOM 207 CG HIS A 17 17.234 7.303 -5.701 1.00 0.00 C ATOM 208 ND1 HIS A 17 17.686 6.518 -4.661 1.00 0.00 N ATOM 209 CD2 HIS A 17 18.335 7.870 -6.248 1.00 0.00 C ATOM 210 CE1 HIS A 17 19.001 6.610 -4.582 1.00 0.00 C ATOM 211 NE2 HIS A 17 19.420 7.424 -5.534 1.00 0.00 N ATOM 0 H HIS A 17 14.043 8.284 -7.582 1.00 0.00 H new ATOM 0 HA HIS A 17 16.287 6.728 -8.034 1.00 0.00 H new ATOM 0 HB2 HIS A 17 15.530 8.481 -6.149 1.00 0.00 H new ATOM 0 HB3 HIS A 17 15.182 7.013 -5.257 1.00 0.00 H new ATOM 0 HD2 HIS A 17 18.356 8.547 -7.089 1.00 0.00 H new ATOM 0 HE1 HIS A 17 19.627 6.105 -3.861 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.392 7.680 -5.710 1.00 0.00 H new ATOM 220 N PRO A 18 16.007 4.354 -7.292 1.00 0.00 N ATOM 221 CA PRO A 18 15.798 2.921 -7.067 1.00 0.00 C ATOM 222 C PRO A 18 15.652 2.582 -5.588 1.00 0.00 C ATOM 223 O PRO A 18 15.000 1.602 -5.226 1.00 0.00 O ATOM 224 CB PRO A 18 17.067 2.284 -7.639 1.00 0.00 C ATOM 225 CG PRO A 18 18.101 3.353 -7.550 1.00 0.00 C ATOM 226 CD PRO A 18 17.372 4.652 -7.756 1.00 0.00 C ATOM 0 HA PRO A 18 14.879 2.565 -7.532 1.00 0.00 H new ATOM 0 HB2 PRO A 18 17.359 1.402 -7.069 1.00 0.00 H new ATOM 0 HB3 PRO A 18 16.918 1.962 -8.670 1.00 0.00 H new ATOM 0 HG2 PRO A 18 18.599 3.334 -6.581 1.00 0.00 H new ATOM 0 HG3 PRO A 18 18.872 3.214 -8.307 1.00 0.00 H new ATOM 0 HD2 PRO A 18 17.824 5.462 -7.183 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.383 4.958 -8.802 1.00 0.00 H new ATOM 234 N THR A 19 16.262 3.399 -4.735 1.00 0.00 N ATOM 235 CA THR A 19 16.200 3.185 -3.294 1.00 0.00 C ATOM 236 C THR A 19 15.379 4.273 -2.612 1.00 0.00 C ATOM 237 O THR A 19 15.002 4.142 -1.447 1.00 0.00 O ATOM 238 CB THR A 19 17.608 3.152 -2.670 1.00 0.00 C ATOM 239 OG1 THR A 19 18.301 4.371 -2.960 1.00 0.00 O ATOM 240 CG2 THR A 19 18.407 1.971 -3.200 1.00 0.00 C ATOM 0 H THR A 19 16.805 4.215 -5.017 1.00 0.00 H new ATOM 0 HA THR A 19 15.719 2.219 -3.138 1.00 0.00 H new ATOM 0 HB THR A 19 17.501 3.043 -1.591 1.00 0.00 H new ATOM 0 HG1 THR A 19 17.708 4.974 -3.455 1.00 0.00 H new ATOM 0 HG21 THR A 19 19.398 1.968 -2.745 1.00 0.00 H new ATOM 0 HG22 THR A 19 17.892 1.043 -2.953 1.00 0.00 H new ATOM 0 HG23 THR A 19 18.505 2.054 -4.282 1.00 0.00 H new ATOM 248 N LYS A 20 15.105 5.347 -3.344 1.00 0.00 N ATOM 249 CA LYS A 20 14.326 6.459 -2.810 1.00 0.00 C ATOM 250 C LYS A 20 13.088 6.715 -3.663 1.00 0.00 C ATOM 251 O LYS A 20 13.103 6.505 -4.876 1.00 0.00 O ATOM 252 CB LYS A 20 15.184 7.724 -2.745 1.00 0.00 C ATOM 253 CG LYS A 20 15.918 7.895 -1.426 1.00 0.00 C ATOM 254 CD LYS A 20 17.203 7.084 -1.394 1.00 0.00 C ATOM 255 CE LYS A 20 18.188 7.643 -0.379 1.00 0.00 C ATOM 256 NZ LYS A 20 17.917 7.135 0.995 1.00 0.00 N ATOM 0 H LYS A 20 15.411 5.472 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 20 14.003 6.194 -1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.912 7.701 -3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.548 8.593 -2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.148 8.949 -1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.271 7.585 -0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 20 16.974 6.047 -1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.659 7.084 -2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.203 7.374 -0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.133 8.732 -0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.610 7.539 1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.958 7.413 1.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.994 6.098 1.003 1.00 0.00 H new ATOM 270 N PHE A 21 12.017 7.170 -3.022 1.00 0.00 N ATOM 271 CA PHE A 21 10.770 7.455 -3.722 1.00 0.00 C ATOM 272 C PHE A 21 9.994 8.566 -3.021 1.00 0.00 C ATOM 273 O PHE A 21 9.429 8.363 -1.946 1.00 0.00 O ATOM 274 CB PHE A 21 9.909 6.193 -3.809 1.00 0.00 C ATOM 275 CG PHE A 21 10.653 4.994 -4.325 1.00 0.00 C ATOM 276 CD1 PHE A 21 10.702 4.726 -5.684 1.00 0.00 C ATOM 277 CD2 PHE A 21 11.302 4.137 -3.452 1.00 0.00 C ATOM 278 CE1 PHE A 21 11.385 3.623 -6.161 1.00 0.00 C ATOM 279 CE2 PHE A 21 11.987 3.032 -3.924 1.00 0.00 C ATOM 280 CZ PHE A 21 12.029 2.776 -5.281 1.00 0.00 C ATOM 0 H PHE A 21 11.987 7.349 -2.018 1.00 0.00 H new ATOM 0 HA PHE A 21 11.017 7.788 -4.730 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.511 5.966 -2.820 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.056 6.389 -4.459 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.201 5.386 -6.377 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.273 4.334 -2.390 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.415 3.424 -7.222 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.488 2.370 -3.233 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.565 1.915 -5.653 1.00 0.00 H new ATOM 290 N LYS A 22 9.971 9.743 -3.637 1.00 0.00 N ATOM 291 CA LYS A 22 9.265 10.888 -3.075 1.00 0.00 C ATOM 292 C LYS A 22 7.762 10.633 -3.033 1.00 0.00 C ATOM 293 O LYS A 22 7.139 10.362 -4.060 1.00 0.00 O ATOM 294 CB LYS A 22 9.557 12.147 -3.895 1.00 0.00 C ATOM 295 CG LYS A 22 10.802 12.892 -3.444 1.00 0.00 C ATOM 296 CD LYS A 22 11.462 13.625 -4.599 1.00 0.00 C ATOM 297 CE LYS A 22 12.881 14.048 -4.252 1.00 0.00 C ATOM 298 NZ LYS A 22 12.906 15.086 -3.185 1.00 0.00 N ATOM 0 H LYS A 22 10.434 9.929 -4.527 1.00 0.00 H new ATOM 0 HA LYS A 22 9.619 11.036 -2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.669 11.870 -4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.700 12.818 -3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.538 13.605 -2.663 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.510 12.188 -3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.478 12.981 -5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.872 14.504 -4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.450 13.177 -3.925 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.374 14.433 -5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.891 15.347 -2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.385 15.927 -3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.459 14.710 -2.324 1.00 0.00 H new ATOM 312 N VAL A 23 7.184 10.724 -1.840 1.00 0.00 N ATOM 313 CA VAL A 23 5.753 10.506 -1.665 1.00 0.00 C ATOM 314 C VAL A 23 5.058 11.776 -1.186 1.00 0.00 C ATOM 315 O VAL A 23 5.703 12.706 -0.701 1.00 0.00 O ATOM 316 CB VAL A 23 5.476 9.372 -0.659 1.00 0.00 C ATOM 317 CG1 VAL A 23 6.028 8.053 -1.177 1.00 0.00 C ATOM 318 CG2 VAL A 23 6.069 9.711 0.701 1.00 0.00 C ATOM 0 H VAL A 23 7.685 10.947 -0.980 1.00 0.00 H new ATOM 0 HA VAL A 23 5.355 10.222 -2.639 1.00 0.00 H new ATOM 0 HB VAL A 23 4.397 9.266 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.823 7.264 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.552 7.807 -2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.105 8.141 -1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.864 8.900 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.147 9.844 0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.621 10.632 1.074 1.00 0.00 H new ATOM 328 N THR A 24 3.736 11.808 -1.323 1.00 0.00 N ATOM 329 CA THR A 24 2.952 12.964 -0.906 1.00 0.00 C ATOM 330 C THR A 24 1.798 12.548 -0.001 1.00 0.00 C ATOM 331 O THR A 24 0.876 11.858 -0.433 1.00 0.00 O ATOM 332 CB THR A 24 2.388 13.729 -2.118 1.00 0.00 C ATOM 333 OG1 THR A 24 3.460 14.187 -2.950 1.00 0.00 O ATOM 334 CG2 THR A 24 1.547 14.913 -1.667 1.00 0.00 C ATOM 0 H THR A 24 3.186 11.046 -1.720 1.00 0.00 H new ATOM 0 HA THR A 24 3.626 13.619 -0.354 1.00 0.00 H new ATOM 0 HB THR A 24 1.753 13.049 -2.686 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.093 14.671 -3.719 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.160 15.438 -2.540 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.715 14.558 -1.059 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.163 15.593 -1.078 1.00 0.00 H new ATOM 342 N ASN A 25 1.856 12.972 1.257 1.00 0.00 N ATOM 343 CA ASN A 25 0.815 12.643 2.224 1.00 0.00 C ATOM 344 C ASN A 25 -0.553 13.101 1.727 1.00 0.00 C ATOM 345 O ASN A 25 -0.743 14.269 1.386 1.00 0.00 O ATOM 346 CB ASN A 25 1.121 13.291 3.576 1.00 0.00 C ATOM 347 CG ASN A 25 0.519 12.521 4.735 1.00 0.00 C ATOM 348 OD1 ASN A 25 1.093 11.539 5.207 1.00 0.00 O ATOM 349 ND2 ASN A 25 -0.643 12.964 5.200 1.00 0.00 N ATOM 0 H ASN A 25 2.613 13.544 1.631 1.00 0.00 H new ATOM 0 HA ASN A 25 0.795 11.560 2.344 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.201 13.356 3.708 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.737 14.311 3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.096 12.486 5.979 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.083 13.782 4.778 1.00 0.00 H new ATOM 356 N VAL A 26 -1.504 12.173 1.689 1.00 0.00 N ATOM 357 CA VAL A 26 -2.855 12.481 1.235 1.00 0.00 C ATOM 358 C VAL A 26 -3.899 11.848 2.149 1.00 0.00 C ATOM 359 O VAL A 26 -3.603 10.911 2.891 1.00 0.00 O ATOM 360 CB VAL A 26 -3.088 11.993 -0.207 1.00 0.00 C ATOM 361 CG1 VAL A 26 -2.082 12.628 -1.155 1.00 0.00 C ATOM 362 CG2 VAL A 26 -3.011 10.475 -0.275 1.00 0.00 C ATOM 0 H VAL A 26 -1.364 11.202 1.967 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.959 13.566 1.265 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.087 12.298 -0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.262 12.271 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.190 13.712 -1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.072 12.356 -0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.178 10.148 -1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.026 10.146 0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.774 10.043 0.372 1.00 0.00 H new ATOM 372 N ASP A 27 -5.121 12.365 2.089 1.00 0.00 N ATOM 373 CA ASP A 27 -6.211 11.850 2.909 1.00 0.00 C ATOM 374 C ASP A 27 -7.137 10.961 2.087 1.00 0.00 C ATOM 375 O ASP A 27 -6.888 10.710 0.907 1.00 0.00 O ATOM 376 CB ASP A 27 -7.004 13.004 3.524 1.00 0.00 C ATOM 377 CG ASP A 27 -8.149 13.456 2.639 1.00 0.00 C ATOM 378 OD1 ASP A 27 -8.065 13.249 1.410 1.00 0.00 O ATOM 379 OD2 ASP A 27 -9.127 14.018 3.174 1.00 0.00 O ATOM 0 H ASP A 27 -5.382 13.141 1.481 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.778 11.250 3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.397 12.695 4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.335 13.845 3.705 1.00 0.00 H new ATOM 384 N ASP A 28 -8.206 10.486 2.716 1.00 0.00 N ATOM 385 CA ASP A 28 -9.170 9.624 2.043 1.00 0.00 C ATOM 386 C ASP A 28 -9.580 10.214 0.697 1.00 0.00 C ATOM 387 O ASP A 28 -9.637 9.508 -0.309 1.00 0.00 O ATOM 388 CB ASP A 28 -10.406 9.420 2.921 1.00 0.00 C ATOM 389 CG ASP A 28 -11.188 8.179 2.541 1.00 0.00 C ATOM 390 OD1 ASP A 28 -10.553 7.143 2.254 1.00 0.00 O ATOM 391 OD2 ASP A 28 -12.435 8.243 2.530 1.00 0.00 O ATOM 0 H ASP A 28 -8.427 10.684 3.692 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.695 8.659 1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.099 9.347 3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.054 10.293 2.840 1.00 0.00 H new ATOM 396 N GLU A 29 -9.863 11.513 0.688 1.00 0.00 N ATOM 397 CA GLU A 29 -10.269 12.197 -0.535 1.00 0.00 C ATOM 398 C GLU A 29 -9.166 12.132 -1.586 1.00 0.00 C ATOM 399 O GLU A 29 -9.433 12.181 -2.786 1.00 0.00 O ATOM 400 CB GLU A 29 -10.620 13.656 -0.236 1.00 0.00 C ATOM 401 CG GLU A 29 -11.517 13.831 0.978 1.00 0.00 C ATOM 402 CD GLU A 29 -12.316 15.119 0.932 1.00 0.00 C ATOM 403 OE1 GLU A 29 -11.722 16.174 0.627 1.00 0.00 O ATOM 404 OE2 GLU A 29 -13.534 15.072 1.202 1.00 0.00 O ATOM 0 H GLU A 29 -9.819 12.112 1.512 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.151 11.692 -0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.699 14.218 -0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.113 14.088 -1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.202 12.985 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.907 13.818 1.881 1.00 0.00 H new ATOM 411 N GLY A 30 -7.923 12.023 -1.126 1.00 0.00 N ATOM 412 CA GLY A 30 -6.797 11.954 -2.039 1.00 0.00 C ATOM 413 C GLY A 30 -6.071 13.279 -2.165 1.00 0.00 C ATOM 414 O GLY A 30 -5.132 13.409 -2.950 1.00 0.00 O ATOM 0 H GLY A 30 -7.676 11.981 -0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.099 11.192 -1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.149 11.641 -3.022 1.00 0.00 H new ATOM 418 N VAL A 31 -6.508 14.268 -1.391 1.00 0.00 N ATOM 419 CA VAL A 31 -5.894 15.590 -1.419 1.00 0.00 C ATOM 420 C VAL A 31 -4.437 15.529 -0.973 1.00 0.00 C ATOM 421 O VAL A 31 -3.974 14.506 -0.471 1.00 0.00 O ATOM 422 CB VAL A 31 -6.654 16.581 -0.519 1.00 0.00 C ATOM 423 CG1 VAL A 31 -8.089 16.745 -0.997 1.00 0.00 C ATOM 424 CG2 VAL A 31 -6.615 16.121 0.931 1.00 0.00 C ATOM 0 H VAL A 31 -7.285 14.178 -0.737 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.941 15.939 -2.451 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.163 17.552 -0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.610 17.449 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.091 17.123 -2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.595 15.780 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.157 16.833 1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.081 15.139 1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.579 16.061 1.266 1.00 0.00 H new ATOM 434 N GLU A 32 -3.720 16.632 -1.161 1.00 0.00 N ATOM 435 CA GLU A 32 -2.315 16.704 -0.778 1.00 0.00 C ATOM 436 C GLU A 32 -2.129 17.601 0.442 1.00 0.00 C ATOM 437 O GLU A 32 -2.237 18.825 0.350 1.00 0.00 O ATOM 438 CB GLU A 32 -1.472 17.227 -1.943 1.00 0.00 C ATOM 439 CG GLU A 32 -1.682 16.462 -3.238 1.00 0.00 C ATOM 440 CD GLU A 32 -1.350 17.289 -4.465 1.00 0.00 C ATOM 441 OE1 GLU A 32 -2.050 18.293 -4.711 1.00 0.00 O ATOM 442 OE2 GLU A 32 -0.390 16.931 -5.179 1.00 0.00 O ATOM 0 H GLU A 32 -4.089 17.488 -1.576 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.983 15.698 -0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.709 18.278 -2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.418 17.178 -1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.062 15.565 -3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.719 16.132 -3.297 1.00 0.00 H new ATOM 449 N LEU A 33 -1.849 16.984 1.585 1.00 0.00 N ATOM 450 CA LEU A 33 -1.647 17.726 2.825 1.00 0.00 C ATOM 451 C LEU A 33 -0.203 18.201 2.948 1.00 0.00 C ATOM 452 O LEU A 33 0.060 19.395 3.084 1.00 0.00 O ATOM 453 CB LEU A 33 -2.014 16.855 4.028 1.00 0.00 C ATOM 454 CG LEU A 33 -3.323 16.073 3.917 1.00 0.00 C ATOM 455 CD1 LEU A 33 -3.524 15.191 5.139 1.00 0.00 C ATOM 456 CD2 LEU A 33 -4.499 17.023 3.744 1.00 0.00 C ATOM 0 H LEU A 33 -1.757 15.973 1.679 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.296 18.601 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.204 16.146 4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.069 17.493 4.910 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.267 15.432 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.461 14.642 5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.697 14.486 5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.559 15.812 6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.422 16.449 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.557 17.690 4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.361 17.612 2.837 1.00 0.00 H new ATOM 468 N GLY A 34 0.731 17.256 2.897 1.00 0.00 N ATOM 469 CA GLY A 34 2.138 17.597 3.002 1.00 0.00 C ATOM 470 C GLY A 34 3.026 16.641 2.230 1.00 0.00 C ATOM 471 O GLY A 34 2.700 15.463 2.083 1.00 0.00 O ATOM 0 H GLY A 34 0.539 16.261 2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.292 18.610 2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.432 17.594 4.052 1.00 0.00 H new ATOM 475 N SER A 35 4.150 17.148 1.735 1.00 0.00 N ATOM 476 CA SER A 35 5.085 16.332 0.970 1.00 0.00 C ATOM 477 C SER A 35 6.031 15.575 1.898 1.00 0.00 C ATOM 478 O SER A 35 6.319 16.021 3.007 1.00 0.00 O ATOM 479 CB SER A 35 5.889 17.207 0.007 1.00 0.00 C ATOM 480 OG SER A 35 6.629 18.191 0.709 1.00 0.00 O ATOM 0 H SER A 35 4.435 18.120 1.850 1.00 0.00 H new ATOM 0 HA SER A 35 4.509 15.606 0.396 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.568 16.584 -0.575 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.214 17.690 -0.700 1.00 0.00 H new ATOM 0 HG SER A 35 7.136 18.736 0.071 1.00 0.00 H new ATOM 486 N GLY A 36 6.511 14.425 1.433 1.00 0.00 N ATOM 487 CA GLY A 36 7.418 13.623 2.233 1.00 0.00 C ATOM 488 C GLY A 36 8.247 12.673 1.392 1.00 0.00 C ATOM 489 O GLY A 36 7.907 12.392 0.242 1.00 0.00 O ATOM 0 H GLY A 36 6.288 14.035 0.517 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.082 14.281 2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.845 13.051 2.963 1.00 0.00 H new ATOM 493 N VAL A 37 9.340 12.178 1.964 1.00 0.00 N ATOM 494 CA VAL A 37 10.221 11.254 1.259 1.00 0.00 C ATOM 495 C VAL A 37 10.330 9.926 1.999 1.00 0.00 C ATOM 496 O VAL A 37 10.726 9.883 3.163 1.00 0.00 O ATOM 497 CB VAL A 37 11.631 11.848 1.081 1.00 0.00 C ATOM 498 CG1 VAL A 37 12.543 10.856 0.376 1.00 0.00 C ATOM 499 CG2 VAL A 37 11.563 13.161 0.316 1.00 0.00 C ATOM 0 H VAL A 37 9.637 12.401 2.914 1.00 0.00 H new ATOM 0 HA VAL A 37 9.780 11.084 0.277 1.00 0.00 H new ATOM 0 HB VAL A 37 12.049 12.051 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.535 11.293 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.616 9.944 0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.133 10.619 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.568 13.567 0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.126 12.987 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.947 13.872 0.867 1.00 0.00 H new ATOM 509 N MET A 38 9.976 8.843 1.314 1.00 0.00 N ATOM 510 CA MET A 38 10.037 7.512 1.907 1.00 0.00 C ATOM 511 C MET A 38 11.379 6.848 1.618 1.00 0.00 C ATOM 512 O MET A 38 11.845 6.841 0.479 1.00 0.00 O ATOM 513 CB MET A 38 8.898 6.640 1.373 1.00 0.00 C ATOM 514 CG MET A 38 8.779 5.298 2.076 1.00 0.00 C ATOM 515 SD MET A 38 8.076 5.441 3.730 1.00 0.00 S ATOM 516 CE MET A 38 6.335 5.608 3.346 1.00 0.00 C ATOM 0 H MET A 38 9.645 8.861 0.350 1.00 0.00 H new ATOM 0 HA MET A 38 9.930 7.618 2.987 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.957 7.181 1.478 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.050 6.470 0.307 1.00 0.00 H new ATOM 0 HG2 MET A 38 8.157 4.632 1.477 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.765 4.838 2.143 1.00 0.00 H new ATOM 0 HE1 MET A 38 5.807 6.002 4.214 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.212 6.291 2.505 1.00 0.00 H new ATOM 0 HE3 MET A 38 5.925 4.633 3.084 1.00 0.00 H new ATOM 526 N GLU A 39 11.995 6.291 2.656 1.00 0.00 N ATOM 527 CA GLU A 39 13.285 5.626 2.511 1.00 0.00 C ATOM 528 C GLU A 39 13.176 4.146 2.866 1.00 0.00 C ATOM 529 O GLU A 39 12.604 3.782 3.894 1.00 0.00 O ATOM 530 CB GLU A 39 14.333 6.299 3.399 1.00 0.00 C ATOM 531 CG GLU A 39 15.516 5.405 3.730 1.00 0.00 C ATOM 532 CD GLU A 39 16.749 6.192 4.130 1.00 0.00 C ATOM 533 OE1 GLU A 39 16.755 7.425 3.932 1.00 0.00 O ATOM 534 OE2 GLU A 39 17.707 5.575 4.641 1.00 0.00 O ATOM 0 H GLU A 39 11.622 6.287 3.605 1.00 0.00 H new ATOM 0 HA GLU A 39 13.594 5.711 1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.696 7.198 2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.859 6.619 4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.241 4.731 4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.751 4.784 2.865 1.00 0.00 H new ATOM 541 N LEU A 40 13.730 3.296 2.008 1.00 0.00 N ATOM 542 CA LEU A 40 13.696 1.855 2.229 1.00 0.00 C ATOM 543 C LEU A 40 15.062 1.339 2.670 1.00 0.00 C ATOM 544 O LEU A 40 16.005 1.291 1.880 1.00 0.00 O ATOM 545 CB LEU A 40 13.253 1.133 0.955 1.00 0.00 C ATOM 546 CG LEU A 40 11.744 0.972 0.765 1.00 0.00 C ATOM 547 CD1 LEU A 40 11.113 2.296 0.363 1.00 0.00 C ATOM 548 CD2 LEU A 40 11.449 -0.099 -0.275 1.00 0.00 C ATOM 0 H LEU A 40 14.208 3.580 1.153 1.00 0.00 H new ATOM 0 HA LEU A 40 12.977 1.652 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.651 1.675 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.708 0.143 0.946 1.00 0.00 H new ATOM 0 HG LEU A 40 11.309 0.659 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.039 2.162 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.294 3.037 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.553 2.639 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.371 -0.200 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.897 0.185 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.868 -1.050 0.053 1.00 0.00 H new ATOM 560 N THR A 41 15.162 0.952 3.938 1.00 0.00 N ATOM 561 CA THR A 41 16.411 0.438 4.485 1.00 0.00 C ATOM 562 C THR A 41 16.202 -0.910 5.163 1.00 0.00 C ATOM 563 O THR A 41 15.217 -1.111 5.874 1.00 0.00 O ATOM 564 CB THR A 41 17.026 1.421 5.499 1.00 0.00 C ATOM 565 OG1 THR A 41 16.131 1.612 6.600 1.00 0.00 O ATOM 566 CG2 THR A 41 17.325 2.760 4.843 1.00 0.00 C ATOM 0 H THR A 41 14.392 0.985 4.606 1.00 0.00 H new ATOM 0 HA THR A 41 17.097 0.316 3.646 1.00 0.00 H new ATOM 0 HB THR A 41 17.962 0.996 5.862 1.00 0.00 H new ATOM 0 HG1 THR A 41 15.207 1.625 6.272 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.759 3.437 5.579 1.00 0.00 H new ATOM 0 HG22 THR A 41 18.030 2.615 4.024 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.401 3.189 4.455 1.00 0.00 H new ATOM 574 N GLN A 42 17.134 -1.831 4.940 1.00 0.00 N ATOM 575 CA GLN A 42 17.050 -3.162 5.531 1.00 0.00 C ATOM 576 C GLN A 42 16.517 -3.091 6.958 1.00 0.00 C ATOM 577 O GLN A 42 15.923 -4.046 7.457 1.00 0.00 O ATOM 578 CB GLN A 42 18.423 -3.835 5.519 1.00 0.00 C ATOM 579 CG GLN A 42 18.810 -4.406 4.164 1.00 0.00 C ATOM 580 CD GLN A 42 20.299 -4.664 4.042 1.00 0.00 C ATOM 581 OE1 GLN A 42 20.952 -5.061 5.007 1.00 0.00 O ATOM 582 NE2 GLN A 42 20.843 -4.439 2.852 1.00 0.00 N ATOM 0 H GLN A 42 17.956 -1.680 4.355 1.00 0.00 H new ATOM 0 HA GLN A 42 16.357 -3.755 4.934 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.176 -3.110 5.827 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.432 -4.637 6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 42 18.269 -5.338 3.999 1.00 0.00 H new ATOM 0 HG3 GLN A 42 18.500 -3.714 3.381 1.00 0.00 H new ATOM 0 HE21 GLN A 42 20.263 -4.110 2.080 1.00 0.00 H new ATOM 0 HE22 GLN A 42 21.841 -4.595 2.710 1.00 0.00 H new ATOM 591 N SER A 43 16.735 -1.953 7.610 1.00 0.00 N ATOM 592 CA SER A 43 16.280 -1.759 8.981 1.00 0.00 C ATOM 593 C SER A 43 14.768 -1.559 9.030 1.00 0.00 C ATOM 594 O SER A 43 14.032 -2.427 9.497 1.00 0.00 O ATOM 595 CB SER A 43 16.985 -0.555 9.609 1.00 0.00 C ATOM 596 OG SER A 43 18.228 -0.931 10.177 1.00 0.00 O ATOM 0 H SER A 43 17.224 -1.152 7.210 1.00 0.00 H new ATOM 0 HA SER A 43 16.529 -2.655 9.550 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.145 0.212 8.852 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.348 -0.117 10.377 1.00 0.00 H new ATOM 0 HG SER A 43 18.659 -0.144 10.570 1.00 0.00 H new ATOM 602 N GLU A 44 14.314 -0.409 8.543 1.00 0.00 N ATOM 603 CA GLU A 44 12.890 -0.094 8.531 1.00 0.00 C ATOM 604 C GLU A 44 12.601 1.086 7.608 1.00 0.00 C ATOM 605 O GLU A 44 13.513 1.658 7.009 1.00 0.00 O ATOM 606 CB GLU A 44 12.403 0.220 9.947 1.00 0.00 C ATOM 607 CG GLU A 44 13.334 1.138 10.721 1.00 0.00 C ATOM 608 CD GLU A 44 13.213 0.960 12.222 1.00 0.00 C ATOM 609 OE1 GLU A 44 12.072 0.952 12.728 1.00 0.00 O ATOM 610 OE2 GLU A 44 14.260 0.829 12.891 1.00 0.00 O ATOM 0 H GLU A 44 14.911 0.320 8.152 1.00 0.00 H new ATOM 0 HA GLU A 44 12.354 -0.966 8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.417 0.681 9.889 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.286 -0.714 10.497 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.363 0.945 10.418 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.114 2.174 10.463 1.00 0.00 H new ATOM 617 N LEU A 45 11.327 1.445 7.498 1.00 0.00 N ATOM 618 CA LEU A 45 10.916 2.557 6.648 1.00 0.00 C ATOM 619 C LEU A 45 10.941 3.872 7.421 1.00 0.00 C ATOM 620 O LEU A 45 10.532 3.930 8.581 1.00 0.00 O ATOM 621 CB LEU A 45 9.514 2.307 6.089 1.00 0.00 C ATOM 622 CG LEU A 45 9.445 1.542 4.767 1.00 0.00 C ATOM 623 CD1 LEU A 45 8.032 1.038 4.516 1.00 0.00 C ATOM 624 CD2 LEU A 45 9.911 2.422 3.617 1.00 0.00 C ATOM 0 H LEU A 45 10.561 0.982 7.987 1.00 0.00 H new ATOM 0 HA LEU A 45 11.622 2.630 5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.940 1.757 6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.021 3.270 5.955 1.00 0.00 H new ATOM 0 HG LEU A 45 10.110 0.681 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.002 0.496 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.734 0.372 5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.346 1.884 4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.855 1.861 2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.272 3.302 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.941 2.734 3.792 1.00 0.00 H new ATOM 636 N VAL A 46 11.422 4.926 6.770 1.00 0.00 N ATOM 637 CA VAL A 46 11.497 6.242 7.395 1.00 0.00 C ATOM 638 C VAL A 46 10.977 7.326 6.457 1.00 0.00 C ATOM 639 O VAL A 46 11.392 7.414 5.301 1.00 0.00 O ATOM 640 CB VAL A 46 12.940 6.585 7.808 1.00 0.00 C ATOM 641 CG1 VAL A 46 12.997 7.958 8.460 1.00 0.00 C ATOM 642 CG2 VAL A 46 13.494 5.520 8.742 1.00 0.00 C ATOM 0 H VAL A 46 11.766 4.895 5.810 1.00 0.00 H new ATOM 0 HA VAL A 46 10.871 6.206 8.286 1.00 0.00 H new ATOM 0 HB VAL A 46 13.560 6.608 6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.025 8.183 8.745 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.643 8.710 7.755 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.364 7.966 9.347 1.00 0.00 H new ATOM 0 HG21 VAL A 46 14.515 5.778 9.024 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.874 5.462 9.637 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.491 4.555 8.236 1.00 0.00 H new ATOM 652 N LEU A 47 10.066 8.151 6.963 1.00 0.00 N ATOM 653 CA LEU A 47 9.489 9.231 6.171 1.00 0.00 C ATOM 654 C LEU A 47 10.135 10.568 6.522 1.00 0.00 C ATOM 655 O LEU A 47 10.420 10.845 7.687 1.00 0.00 O ATOM 656 CB LEU A 47 7.978 9.306 6.400 1.00 0.00 C ATOM 657 CG LEU A 47 7.117 8.441 5.480 1.00 0.00 C ATOM 658 CD1 LEU A 47 5.653 8.526 5.883 1.00 0.00 C ATOM 659 CD2 LEU A 47 7.297 8.862 4.028 1.00 0.00 C ATOM 0 H LEU A 47 9.712 8.092 7.918 1.00 0.00 H new ATOM 0 HA LEU A 47 9.681 9.020 5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.772 9.020 7.432 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.665 10.344 6.288 1.00 0.00 H new ATOM 0 HG LEU A 47 7.441 7.405 5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.055 7.904 5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.537 8.175 6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.316 9.560 5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.676 8.235 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.001 9.905 3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.343 8.748 3.743 1.00 0.00 H new ATOM 671 N HIS A 48 10.361 11.394 5.505 1.00 0.00 N ATOM 672 CA HIS A 48 10.970 12.704 5.706 1.00 0.00 C ATOM 673 C HIS A 48 10.070 13.811 5.167 1.00 0.00 C ATOM 674 O HIS A 48 9.946 13.990 3.954 1.00 0.00 O ATOM 675 CB HIS A 48 12.337 12.764 5.023 1.00 0.00 C ATOM 676 CG HIS A 48 13.261 11.660 5.434 1.00 0.00 C ATOM 677 ND1 HIS A 48 14.128 11.761 6.501 1.00 0.00 N ATOM 678 CD2 HIS A 48 13.450 10.424 4.914 1.00 0.00 C ATOM 679 CE1 HIS A 48 14.811 10.637 6.620 1.00 0.00 C ATOM 680 NE2 HIS A 48 14.418 9.808 5.669 1.00 0.00 N ATOM 0 H HIS A 48 10.132 11.180 4.535 1.00 0.00 H new ATOM 0 HA HIS A 48 11.100 12.856 6.777 1.00 0.00 H new ATOM 0 HB2 HIS A 48 12.196 12.726 3.943 1.00 0.00 H new ATOM 0 HB3 HIS A 48 12.805 13.722 5.249 1.00 0.00 H new ATOM 0 HD2 HIS A 48 12.935 10.001 4.064 1.00 0.00 H new ATOM 0 HE1 HIS A 48 15.563 10.430 7.367 1.00 0.00 H new ATOM 0 HE2 HIS A 48 14.775 8.864 5.520 1.00 0.00 H new ATOM 689 N LEU A 49 9.442 14.551 6.074 1.00 0.00 N ATOM 690 CA LEU A 49 8.552 15.641 5.690 1.00 0.00 C ATOM 691 C LEU A 49 9.314 16.958 5.591 1.00 0.00 C ATOM 692 O LEU A 49 10.523 17.007 5.820 1.00 0.00 O ATOM 693 CB LEU A 49 7.410 15.773 6.699 1.00 0.00 C ATOM 694 CG LEU A 49 6.190 14.884 6.453 1.00 0.00 C ATOM 695 CD1 LEU A 49 6.391 13.515 7.084 1.00 0.00 C ATOM 696 CD2 LEU A 49 4.931 15.545 6.996 1.00 0.00 C ATOM 0 H LEU A 49 9.533 14.416 7.081 1.00 0.00 H new ATOM 0 HA LEU A 49 8.137 15.409 4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.802 15.551 7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.081 16.812 6.711 1.00 0.00 H new ATOM 0 HG LEU A 49 6.072 14.751 5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.513 12.896 6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.269 13.039 6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.535 13.627 8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.073 14.899 6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.039 15.708 8.068 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.778 16.502 6.497 1.00 0.00 H new ATOM 789 N ALA A 54 10.538 13.167 11.756 1.00 0.00 N ATOM 790 CA ALA A 54 10.710 11.982 10.926 1.00 0.00 C ATOM 791 C ALA A 54 10.101 10.752 11.591 1.00 0.00 C ATOM 792 O ALA A 54 10.447 10.410 12.722 1.00 0.00 O ATOM 793 CB ALA A 54 12.185 11.750 10.635 1.00 0.00 C ATOM 0 HA ALA A 54 10.187 12.150 9.985 1.00 0.00 H new ATOM 0 HB1 ALA A 54 12.298 10.861 10.014 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.593 12.614 10.110 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.723 11.608 11.572 1.00 0.00 H new ATOM 799 N VAL A 55 9.191 10.091 10.883 1.00 0.00 N ATOM 800 CA VAL A 55 8.533 8.899 11.406 1.00 0.00 C ATOM 801 C VAL A 55 9.214 7.631 10.902 1.00 0.00 C ATOM 802 O VAL A 55 9.802 7.618 9.820 1.00 0.00 O ATOM 803 CB VAL A 55 7.045 8.861 11.012 1.00 0.00 C ATOM 804 CG1 VAL A 55 6.289 7.865 11.878 1.00 0.00 C ATOM 805 CG2 VAL A 55 6.430 10.248 11.119 1.00 0.00 C ATOM 0 H VAL A 55 8.892 10.361 9.946 1.00 0.00 H new ATOM 0 HA VAL A 55 8.612 8.944 12.492 1.00 0.00 H new ATOM 0 HB VAL A 55 6.970 8.535 9.975 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.239 7.852 11.585 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.715 6.871 11.745 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.370 8.158 12.925 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.378 10.202 10.837 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.515 10.606 12.145 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.955 10.931 10.452 1.00 0.00 H new ATOM 815 N ARG A 56 9.130 6.567 11.693 1.00 0.00 N ATOM 816 CA ARG A 56 9.738 5.293 11.328 1.00 0.00 C ATOM 817 C ARG A 56 8.757 4.143 11.535 1.00 0.00 C ATOM 818 O ARG A 56 8.020 4.112 12.520 1.00 0.00 O ATOM 819 CB ARG A 56 11.003 5.053 12.153 1.00 0.00 C ATOM 820 CG ARG A 56 11.882 6.285 12.294 1.00 0.00 C ATOM 821 CD ARG A 56 12.658 6.269 13.602 1.00 0.00 C ATOM 822 NE ARG A 56 13.785 5.342 13.558 1.00 0.00 N ATOM 823 CZ ARG A 56 14.844 5.508 12.773 1.00 0.00 C ATOM 824 NH1 ARG A 56 14.920 6.561 11.972 1.00 0.00 N ATOM 825 NH2 ARG A 56 15.830 4.620 12.790 1.00 0.00 N ATOM 0 H ARG A 56 8.647 6.562 12.591 1.00 0.00 H new ATOM 0 HA ARG A 56 10.004 5.335 10.272 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.718 4.705 13.146 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.583 4.255 11.689 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.579 6.334 11.457 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.264 7.182 12.247 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.023 7.273 13.819 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.990 5.989 14.417 1.00 0.00 H new ATOM 0 HE ARG A 56 13.758 4.522 14.163 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.165 7.246 11.957 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.734 6.686 11.370 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.775 3.809 13.406 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.642 4.748 12.187 1.00 0.00 H new ATOM 839 N TRP A 57 8.753 3.200 10.599 1.00 0.00 N ATOM 840 CA TRP A 57 7.862 2.048 10.679 1.00 0.00 C ATOM 841 C TRP A 57 8.634 0.748 10.477 1.00 0.00 C ATOM 842 O TRP A 57 9.156 0.469 9.398 1.00 0.00 O ATOM 843 CB TRP A 57 6.752 2.164 9.633 1.00 0.00 C ATOM 844 CG TRP A 57 5.760 3.245 9.938 1.00 0.00 C ATOM 845 CD1 TRP A 57 4.694 3.164 10.788 1.00 0.00 C ATOM 846 CD2 TRP A 57 5.741 4.569 9.393 1.00 0.00 C ATOM 847 NE1 TRP A 57 4.013 4.358 10.804 1.00 0.00 N ATOM 848 CE2 TRP A 57 4.636 5.236 9.957 1.00 0.00 C ATOM 849 CE3 TRP A 57 6.551 5.256 8.485 1.00 0.00 C ATOM 850 CZ2 TRP A 57 4.323 6.555 9.641 1.00 0.00 C ATOM 851 CZ3 TRP A 57 6.238 6.565 8.172 1.00 0.00 C ATOM 852 CH2 TRP A 57 5.133 7.204 8.749 1.00 0.00 C ATOM 0 H TRP A 57 9.356 3.211 9.777 1.00 0.00 H new ATOM 0 HA TRP A 57 7.415 2.033 11.673 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.200 2.356 8.658 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.229 1.210 9.561 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.426 2.290 11.363 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.179 4.558 11.357 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.406 4.773 8.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.471 7.049 10.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 6.856 7.105 7.470 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.916 8.228 8.485 1.00 0.00 H new ATOM 863 N PRO A 58 8.709 -0.067 11.540 1.00 0.00 N ATOM 864 CA PRO A 58 9.414 -1.352 11.503 1.00 0.00 C ATOM 865 C PRO A 58 8.696 -2.383 10.639 1.00 0.00 C ATOM 866 O PRO A 58 7.468 -2.465 10.645 1.00 0.00 O ATOM 867 CB PRO A 58 9.421 -1.794 12.969 1.00 0.00 C ATOM 868 CG PRO A 58 8.244 -1.113 13.576 1.00 0.00 C ATOM 869 CD PRO A 58 8.110 0.202 12.858 1.00 0.00 C ATOM 0 HA PRO A 58 10.408 -1.259 11.066 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.340 -2.877 13.056 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.346 -1.503 13.466 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.342 -1.715 13.460 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.390 -0.961 14.645 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.067 0.508 12.771 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.634 1.001 13.382 1.00 0.00 H new ATOM 877 N TYR A 59 9.470 -3.168 9.898 1.00 0.00 N ATOM 878 CA TYR A 59 8.908 -4.193 9.027 1.00 0.00 C ATOM 879 C TYR A 59 8.184 -5.262 9.840 1.00 0.00 C ATOM 880 O TYR A 59 7.432 -6.070 9.295 1.00 0.00 O ATOM 881 CB TYR A 59 10.010 -4.836 8.184 1.00 0.00 C ATOM 882 CG TYR A 59 10.691 -3.872 7.239 1.00 0.00 C ATOM 883 CD1 TYR A 59 9.949 -3.024 6.426 1.00 0.00 C ATOM 884 CD2 TYR A 59 12.077 -3.808 7.161 1.00 0.00 C ATOM 885 CE1 TYR A 59 10.567 -2.142 5.561 1.00 0.00 C ATOM 886 CE2 TYR A 59 12.704 -2.928 6.300 1.00 0.00 C ATOM 887 CZ TYR A 59 11.945 -2.098 5.502 1.00 0.00 C ATOM 888 OH TYR A 59 12.564 -1.220 4.642 1.00 0.00 O ATOM 0 H TYR A 59 10.488 -3.114 9.883 1.00 0.00 H new ATOM 0 HA TYR A 59 8.186 -3.715 8.365 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.758 -5.269 8.848 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.583 -5.656 7.607 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.870 -3.055 6.471 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.674 -4.457 7.784 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.975 -1.491 4.935 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.782 -2.890 6.252 1.00 0.00 H new ATOM 0 HH TYR A 59 13.489 -1.075 4.932 1.00 0.00 H new ATOM 898 N LEU A 60 8.416 -5.258 11.148 1.00 0.00 N ATOM 899 CA LEU A 60 7.786 -6.227 12.039 1.00 0.00 C ATOM 900 C LEU A 60 6.299 -5.929 12.203 1.00 0.00 C ATOM 901 O LEU A 60 5.449 -6.704 11.762 1.00 0.00 O ATOM 902 CB LEU A 60 8.474 -6.214 13.405 1.00 0.00 C ATOM 903 CG LEU A 60 9.633 -7.197 13.582 1.00 0.00 C ATOM 904 CD1 LEU A 60 10.666 -6.635 14.547 1.00 0.00 C ATOM 905 CD2 LEU A 60 9.120 -8.543 14.072 1.00 0.00 C ATOM 0 H LEU A 60 9.035 -4.595 11.615 1.00 0.00 H new ATOM 0 HA LEU A 60 7.892 -7.216 11.594 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.846 -5.207 13.593 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.725 -6.425 14.169 1.00 0.00 H new ATOM 0 HG LEU A 60 10.112 -7.344 12.614 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.483 -7.347 14.661 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.056 -5.695 14.156 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.200 -6.459 15.517 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.958 -9.230 14.192 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.616 -8.414 15.030 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.418 -8.951 13.345 1.00 0.00 H new ATOM 917 N CYS A 61 5.993 -4.804 12.838 1.00 0.00 N ATOM 918 CA CYS A 61 4.608 -4.403 13.058 1.00 0.00 C ATOM 919 C CYS A 61 3.842 -4.346 11.741 1.00 0.00 C ATOM 920 O CYS A 61 2.693 -4.782 11.659 1.00 0.00 O ATOM 921 CB CYS A 61 4.554 -3.042 13.753 1.00 0.00 C ATOM 922 SG CYS A 61 4.731 -1.633 12.633 1.00 0.00 S ATOM 0 H CYS A 61 6.685 -4.153 13.210 1.00 0.00 H new ATOM 0 HA CYS A 61 4.137 -5.149 13.698 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.606 -2.954 14.283 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.344 -2.998 14.503 1.00 0.00 H new ATOM 0 HG CYS A 61 3.561 -1.120 12.393 1.00 0.00 H new ATOM 928 N LEU A 62 4.484 -3.805 10.712 1.00 0.00 N ATOM 929 CA LEU A 62 3.863 -3.688 9.397 1.00 0.00 C ATOM 930 C LEU A 62 2.968 -4.889 9.110 1.00 0.00 C ATOM 931 O LEU A 62 3.445 -5.949 8.703 1.00 0.00 O ATOM 932 CB LEU A 62 4.936 -3.567 8.313 1.00 0.00 C ATOM 933 CG LEU A 62 5.396 -2.147 7.981 1.00 0.00 C ATOM 934 CD1 LEU A 62 6.654 -2.180 7.126 1.00 0.00 C ATOM 935 CD2 LEU A 62 4.289 -1.380 7.273 1.00 0.00 C ATOM 0 H LEU A 62 5.435 -3.440 10.763 1.00 0.00 H new ATOM 0 HA LEU A 62 3.247 -2.789 9.392 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.806 -4.146 8.624 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.556 -4.027 7.401 1.00 0.00 H new ATOM 0 HG LEU A 62 5.628 -1.633 8.914 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.967 -1.161 6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.449 -2.692 7.668 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.449 -2.711 6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.634 -0.372 7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.026 -1.892 6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.413 -1.326 7.919 1.00 0.00 H new ATOM 947 N ARG A 63 1.668 -4.716 9.323 1.00 0.00 N ATOM 948 CA ARG A 63 0.705 -5.785 9.087 1.00 0.00 C ATOM 949 C ARG A 63 0.782 -6.276 7.644 1.00 0.00 C ATOM 950 O ARG A 63 0.752 -7.479 7.385 1.00 0.00 O ATOM 951 CB ARG A 63 -0.713 -5.302 9.398 1.00 0.00 C ATOM 952 CG ARG A 63 -1.792 -6.308 9.033 1.00 0.00 C ATOM 953 CD ARG A 63 -2.144 -7.200 10.214 1.00 0.00 C ATOM 954 NE ARG A 63 -1.220 -8.323 10.345 1.00 0.00 N ATOM 955 CZ ARG A 63 -0.134 -8.296 11.109 1.00 0.00 C ATOM 956 NH1 ARG A 63 0.162 -7.209 11.808 1.00 0.00 N ATOM 957 NH2 ARG A 63 0.658 -9.359 11.177 1.00 0.00 N ATOM 0 H ARG A 63 1.257 -3.845 9.659 1.00 0.00 H new ATOM 0 HA ARG A 63 0.951 -6.615 9.749 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.785 -5.074 10.461 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.898 -4.372 8.860 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.684 -5.780 8.696 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.451 -6.923 8.200 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.130 -6.610 11.131 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.159 -7.578 10.093 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.420 -9.175 9.821 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.445 -6.391 11.760 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.997 -7.191 12.394 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.433 -10.198 10.642 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.492 -9.337 11.764 1.00 0.00 H new ATOM 971 N ARG A 64 0.881 -5.337 6.709 1.00 0.00 N ATOM 972 CA ARG A 64 0.960 -5.673 5.293 1.00 0.00 C ATOM 973 C ARG A 64 1.431 -4.475 4.475 1.00 0.00 C ATOM 974 O ARG A 64 1.522 -3.358 4.986 1.00 0.00 O ATOM 975 CB ARG A 64 -0.402 -6.149 4.783 1.00 0.00 C ATOM 976 CG ARG A 64 -1.390 -5.020 4.541 1.00 0.00 C ATOM 977 CD ARG A 64 -2.798 -5.550 4.318 1.00 0.00 C ATOM 978 NE ARG A 64 -3.816 -4.602 4.761 1.00 0.00 N ATOM 979 CZ ARG A 64 -5.121 -4.842 4.698 1.00 0.00 C ATOM 980 NH1 ARG A 64 -5.564 -5.993 4.213 1.00 0.00 N ATOM 981 NH2 ARG A 64 -5.986 -3.929 5.121 1.00 0.00 N ATOM 0 H ARG A 64 0.908 -4.337 6.907 1.00 0.00 H new ATOM 0 HA ARG A 64 1.686 -6.478 5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.260 -6.701 3.854 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.828 -6.845 5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.386 -4.342 5.395 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.076 -4.440 3.673 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.940 -5.766 3.259 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.921 -6.491 4.855 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.508 -3.706 5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.902 -6.697 3.887 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.567 -6.174 4.166 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.649 -3.042 5.495 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.988 -4.114 5.072 1.00 0.00 H new ATOM 995 N TYR A 65 1.728 -4.714 3.202 1.00 0.00 N ATOM 996 CA TYR A 65 2.193 -3.655 2.314 1.00 0.00 C ATOM 997 C TYR A 65 1.732 -3.905 0.881 1.00 0.00 C ATOM 998 O TYR A 65 2.222 -4.810 0.208 1.00 0.00 O ATOM 999 CB TYR A 65 3.718 -3.554 2.360 1.00 0.00 C ATOM 1000 CG TYR A 65 4.418 -4.885 2.205 1.00 0.00 C ATOM 1001 CD1 TYR A 65 4.624 -5.716 3.300 1.00 0.00 C ATOM 1002 CD2 TYR A 65 4.874 -5.313 0.964 1.00 0.00 C ATOM 1003 CE1 TYR A 65 5.264 -6.933 3.164 1.00 0.00 C ATOM 1004 CE2 TYR A 65 5.514 -6.529 0.818 1.00 0.00 C ATOM 1005 CZ TYR A 65 5.706 -7.335 1.921 1.00 0.00 C ATOM 1006 OH TYR A 65 6.344 -8.546 1.779 1.00 0.00 O ATOM 0 H TYR A 65 1.655 -5.631 2.762 1.00 0.00 H new ATOM 0 HA TYR A 65 1.763 -2.714 2.657 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.053 -2.883 1.570 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.016 -3.105 3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.278 -5.405 4.274 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.726 -4.684 0.099 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.417 -7.566 4.026 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.862 -6.847 -0.154 1.00 0.00 H new ATOM 0 HH TYR A 65 5.698 -9.224 1.491 1.00 0.00 H new ATOM 1016 N GLY A 66 0.784 -3.093 0.421 1.00 0.00 N ATOM 1017 CA GLY A 66 0.272 -3.241 -0.928 1.00 0.00 C ATOM 1018 C GLY A 66 0.738 -2.132 -1.850 1.00 0.00 C ATOM 1019 O GLY A 66 1.682 -1.407 -1.533 1.00 0.00 O ATOM 0 H GLY A 66 0.362 -2.336 0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.591 -4.202 -1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.818 -3.253 -0.901 1.00 0.00 H new ATOM 1023 N TYR A 67 0.078 -1.999 -2.995 1.00 0.00 N ATOM 1024 CA TYR A 67 0.433 -0.973 -3.968 1.00 0.00 C ATOM 1025 C TYR A 67 -0.651 -0.832 -5.032 1.00 0.00 C ATOM 1026 O TYR A 67 -1.268 -1.816 -5.440 1.00 0.00 O ATOM 1027 CB TYR A 67 1.771 -1.308 -4.629 1.00 0.00 C ATOM 1028 CG TYR A 67 1.640 -2.194 -5.847 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.470 -1.646 -7.113 1.00 0.00 C ATOM 1030 CD2 TYR A 67 1.684 -3.578 -5.733 1.00 0.00 C ATOM 1031 CE1 TYR A 67 1.348 -2.451 -8.229 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.565 -4.390 -6.844 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.397 -3.822 -8.089 1.00 0.00 C ATOM 1034 OH TYR A 67 1.276 -4.628 -9.198 1.00 0.00 O ATOM 0 H TYR A 67 -0.706 -2.589 -3.272 1.00 0.00 H new ATOM 0 HA TYR A 67 0.524 -0.024 -3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.267 -0.381 -4.916 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.414 -1.800 -3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.433 -0.573 -7.226 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.813 -4.027 -4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.215 -2.009 -9.205 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.603 -5.464 -6.738 1.00 0.00 H new ATOM 0 HH TYR A 67 2.162 -4.946 -9.469 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.877 0.399 -5.477 1.00 0.00 N ATOM 1045 CA ASP A 68 -1.886 0.671 -6.495 1.00 0.00 C ATOM 1046 C ASP A 68 -1.396 1.732 -7.475 1.00 0.00 C ATOM 1047 O ASP A 68 -0.383 2.390 -7.238 1.00 0.00 O ATOM 1048 CB ASP A 68 -3.191 1.126 -5.841 1.00 0.00 C ATOM 1049 CG ASP A 68 -4.118 -0.032 -5.531 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -3.624 -1.173 -5.413 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -5.339 0.202 -5.407 1.00 0.00 O ATOM 0 H ASP A 68 -0.375 1.224 -5.149 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.068 -0.251 -7.047 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.964 1.663 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.700 1.828 -6.502 1.00 0.00 H new ATOM 1056 N SER A 69 -2.121 1.893 -8.577 1.00 0.00 N ATOM 1057 CA SER A 69 -1.758 2.870 -9.596 1.00 0.00 C ATOM 1058 C SER A 69 -1.425 4.218 -8.962 1.00 0.00 C ATOM 1059 O SER A 69 -2.195 4.746 -8.161 1.00 0.00 O ATOM 1060 CB SER A 69 -2.897 3.036 -10.604 1.00 0.00 C ATOM 1061 OG SER A 69 -2.568 3.996 -11.592 1.00 0.00 O ATOM 0 H SER A 69 -2.964 1.359 -8.787 1.00 0.00 H new ATOM 0 HA SER A 69 -0.873 2.503 -10.116 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.108 2.078 -11.079 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.805 3.341 -10.084 1.00 0.00 H new ATOM 0 HG SER A 69 -3.311 4.082 -12.225 1.00 0.00 H new ATOM 1067 N ASN A 70 -0.272 4.768 -9.327 1.00 0.00 N ATOM 1068 CA ASN A 70 0.164 6.053 -8.795 1.00 0.00 C ATOM 1069 C ASN A 70 -0.309 6.235 -7.356 1.00 0.00 C ATOM 1070 O ASN A 70 -0.643 7.343 -6.935 1.00 0.00 O ATOM 1071 CB ASN A 70 -0.364 7.196 -9.665 1.00 0.00 C ATOM 1072 CG ASN A 70 0.065 8.558 -9.154 1.00 0.00 C ATOM 1073 OD1 ASN A 70 1.232 8.935 -9.266 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -0.879 9.302 -8.590 1.00 0.00 N ATOM 0 H ASN A 70 0.377 4.344 -9.989 1.00 0.00 H new ATOM 0 HA ASN A 70 1.254 6.071 -8.806 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.008 7.066 -10.687 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.453 7.150 -9.699 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.650 10.228 -8.228 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.833 8.948 -8.519 1.00 0.00 H new ATOM 1081 N LEU A 71 -0.334 5.139 -6.605 1.00 0.00 N ATOM 1082 CA LEU A 71 -0.766 5.176 -5.212 1.00 0.00 C ATOM 1083 C LEU A 71 -0.059 4.100 -4.394 1.00 0.00 C ATOM 1084 O LEU A 71 0.149 2.983 -4.866 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.281 4.988 -5.121 1.00 0.00 C ATOM 1086 CG LEU A 71 -2.932 5.402 -3.801 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -2.747 4.318 -2.751 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -2.354 6.723 -3.313 1.00 0.00 C ATOM 0 H LEU A 71 -0.060 4.214 -6.937 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.502 6.151 -4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.746 5.557 -5.926 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.508 3.937 -5.301 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.000 5.536 -3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.217 4.631 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.208 3.393 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.683 4.152 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.829 7.003 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.280 6.616 -3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.539 7.498 -4.057 1.00 0.00 H new ATOM 1100 N PHE A 72 0.307 4.445 -3.163 1.00 0.00 N ATOM 1101 CA PHE A 72 0.990 3.508 -2.279 1.00 0.00 C ATOM 1102 C PHE A 72 0.577 3.732 -0.827 1.00 0.00 C ATOM 1103 O PHE A 72 0.607 4.857 -0.328 1.00 0.00 O ATOM 1104 CB PHE A 72 2.507 3.655 -2.418 1.00 0.00 C ATOM 1105 CG PHE A 72 3.281 2.888 -1.384 1.00 0.00 C ATOM 1106 CD1 PHE A 72 3.330 1.504 -1.423 1.00 0.00 C ATOM 1107 CD2 PHE A 72 3.960 3.551 -0.375 1.00 0.00 C ATOM 1108 CE1 PHE A 72 4.041 0.796 -0.472 1.00 0.00 C ATOM 1109 CE2 PHE A 72 4.673 2.848 0.578 1.00 0.00 C ATOM 1110 CZ PHE A 72 4.714 1.469 0.529 1.00 0.00 C ATOM 0 H PHE A 72 0.142 5.366 -2.756 1.00 0.00 H new ATOM 0 HA PHE A 72 0.702 2.498 -2.569 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.807 3.317 -3.410 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.770 4.711 -2.348 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.807 0.973 -2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.932 4.630 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.070 -0.283 -0.512 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.197 3.377 1.360 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.271 0.917 1.272 1.00 0.00 H new ATOM 1120 N SER A 73 0.192 2.652 -0.154 1.00 0.00 N ATOM 1121 CA SER A 73 -0.231 2.730 1.239 1.00 0.00 C ATOM 1122 C SER A 73 0.140 1.456 1.992 1.00 0.00 C ATOM 1123 O SER A 73 0.478 0.439 1.385 1.00 0.00 O ATOM 1124 CB SER A 73 -1.740 2.965 1.323 1.00 0.00 C ATOM 1125 OG SER A 73 -2.164 3.084 2.671 1.00 0.00 O ATOM 0 H SER A 73 0.164 1.713 -0.551 1.00 0.00 H new ATOM 0 HA SER A 73 0.287 3.569 1.704 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.001 3.870 0.775 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.267 2.140 0.844 1.00 0.00 H new ATOM 0 HG SER A 73 -1.489 3.575 3.184 1.00 0.00 H new ATOM 1131 N PHE A 74 0.073 1.518 3.317 1.00 0.00 N ATOM 1132 CA PHE A 74 0.402 0.370 4.155 1.00 0.00 C ATOM 1133 C PHE A 74 -0.345 0.434 5.483 1.00 0.00 C ATOM 1134 O PHE A 74 -0.633 1.516 5.994 1.00 0.00 O ATOM 1135 CB PHE A 74 1.910 0.312 4.407 1.00 0.00 C ATOM 1136 CG PHE A 74 2.478 1.595 4.941 1.00 0.00 C ATOM 1137 CD1 PHE A 74 2.343 1.923 6.280 1.00 0.00 C ATOM 1138 CD2 PHE A 74 3.148 2.473 4.104 1.00 0.00 C ATOM 1139 CE1 PHE A 74 2.865 3.103 6.776 1.00 0.00 C ATOM 1140 CE2 PHE A 74 3.673 3.654 4.594 1.00 0.00 C ATOM 1141 CZ PHE A 74 3.530 3.970 5.931 1.00 0.00 C ATOM 0 H PHE A 74 -0.206 2.351 3.835 1.00 0.00 H new ATOM 0 HA PHE A 74 0.093 -0.533 3.628 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.122 -0.491 5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.417 0.060 3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.824 1.249 6.945 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.261 2.232 3.057 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.753 3.347 7.822 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.195 4.329 3.932 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.937 4.893 6.315 1.00 0.00 H new ATOM 1151 N GLU A 75 -0.657 -0.733 6.037 1.00 0.00 N ATOM 1152 CA GLU A 75 -1.372 -0.810 7.306 1.00 0.00 C ATOM 1153 C GLU A 75 -0.406 -1.063 8.460 1.00 0.00 C ATOM 1154 O GLU A 75 0.696 -1.574 8.261 1.00 0.00 O ATOM 1155 CB GLU A 75 -2.426 -1.918 7.257 1.00 0.00 C ATOM 1156 CG GLU A 75 -3.371 -1.912 8.446 1.00 0.00 C ATOM 1157 CD GLU A 75 -4.554 -2.841 8.256 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -4.442 -3.789 7.451 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -5.593 -2.621 8.914 1.00 0.00 O ATOM 0 H GLU A 75 -0.426 -1.638 5.627 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.868 0.146 7.473 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.008 -1.814 6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.923 -2.884 7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.824 -2.205 9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.734 -0.898 8.612 1.00 0.00 H new ATOM 1166 N SER A 76 -0.829 -0.700 9.667 1.00 0.00 N ATOM 1167 CA SER A 76 -0.001 -0.883 10.854 1.00 0.00 C ATOM 1168 C SER A 76 -0.866 -1.067 12.097 1.00 0.00 C ATOM 1169 O SER A 76 -1.988 -0.567 12.166 1.00 0.00 O ATOM 1170 CB SER A 76 0.932 0.315 11.040 1.00 0.00 C ATOM 1171 OG SER A 76 2.093 -0.050 11.767 1.00 0.00 O ATOM 0 H SER A 76 -1.740 -0.278 9.849 1.00 0.00 H new ATOM 0 HA SER A 76 0.598 -1.783 10.714 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.219 0.711 10.066 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.406 1.112 11.566 1.00 0.00 H new ATOM 0 HG SER A 76 2.153 0.492 12.581 1.00 0.00 H new ATOM 1177 N GLY A 77 -0.334 -1.790 13.078 1.00 0.00 N ATOM 1178 CA GLY A 77 -1.070 -2.028 14.306 1.00 0.00 C ATOM 1179 C GLY A 77 -0.943 -0.882 15.290 1.00 0.00 C ATOM 1180 O GLY A 77 -0.590 0.235 14.910 1.00 0.00 O ATOM 0 H GLY A 77 0.593 -2.215 13.044 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.123 -2.185 14.070 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.707 -2.944 14.772 1.00 0.00 H new ATOM 1184 N ARG A 78 -1.232 -1.157 16.558 1.00 0.00 N ATOM 1185 CA ARG A 78 -1.151 -0.140 17.598 1.00 0.00 C ATOM 1186 C ARG A 78 0.128 -0.298 18.415 1.00 0.00 C ATOM 1187 O ARG A 78 0.269 0.291 19.487 1.00 0.00 O ATOM 1188 CB ARG A 78 -2.370 -0.223 18.519 1.00 0.00 C ATOM 1189 CG ARG A 78 -2.313 -1.380 19.502 1.00 0.00 C ATOM 1190 CD ARG A 78 -3.022 -1.041 20.804 1.00 0.00 C ATOM 1191 NE ARG A 78 -3.099 -2.192 21.701 1.00 0.00 N ATOM 1192 CZ ARG A 78 -3.927 -2.261 22.737 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -4.745 -1.252 23.006 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -3.939 -3.341 23.507 1.00 0.00 N ATOM 0 H ARG A 78 -1.524 -2.076 16.889 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.135 0.837 17.115 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.459 0.711 19.075 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.269 -0.319 17.910 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.773 -2.261 19.055 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.273 -1.633 19.708 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.495 -0.227 21.303 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.028 -0.683 20.586 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.483 -2.985 21.522 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.739 -0.420 22.416 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.380 -1.308 23.803 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.312 -4.119 23.304 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.575 -3.393 24.303 1.00 0.00 H new ATOM 1208 N ARG A 79 1.057 -1.097 17.901 1.00 0.00 N ATOM 1209 CA ARG A 79 2.324 -1.334 18.583 1.00 0.00 C ATOM 1210 C ARG A 79 3.410 -0.405 18.051 1.00 0.00 C ATOM 1211 O ARG A 79 4.476 -0.271 18.653 1.00 0.00 O ATOM 1212 CB ARG A 79 2.755 -2.792 18.411 1.00 0.00 C ATOM 1213 CG ARG A 79 3.099 -3.160 16.976 1.00 0.00 C ATOM 1214 CD ARG A 79 2.855 -4.636 16.706 1.00 0.00 C ATOM 1215 NE ARG A 79 3.974 -5.465 17.146 1.00 0.00 N ATOM 1216 CZ ARG A 79 4.175 -6.710 16.728 1.00 0.00 C ATOM 1217 NH1 ARG A 79 3.335 -7.267 15.866 1.00 0.00 N ATOM 1218 NH2 ARG A 79 5.216 -7.401 17.174 1.00 0.00 N ATOM 0 H ARG A 79 0.956 -1.591 17.014 1.00 0.00 H new ATOM 0 HA ARG A 79 2.181 -1.127 19.644 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.622 -2.983 19.044 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.954 -3.443 18.762 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.499 -2.560 16.292 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.144 -2.921 16.778 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.946 -4.953 17.218 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.689 -4.787 15.639 1.00 0.00 H new ATOM 0 HE ARG A 79 4.637 -5.066 17.810 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.533 -6.739 15.522 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.491 -8.223 15.547 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.863 -6.977 17.839 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.369 -8.357 16.852 1.00 0.00 H new ATOM 1232 N CYS A 80 3.133 0.234 16.920 1.00 0.00 N ATOM 1233 CA CYS A 80 4.087 1.151 16.306 1.00 0.00 C ATOM 1234 C CYS A 80 4.028 2.523 16.969 1.00 0.00 C ATOM 1235 O CYS A 80 3.114 2.809 17.741 1.00 0.00 O ATOM 1236 CB CYS A 80 3.808 1.282 14.808 1.00 0.00 C ATOM 1237 SG CYS A 80 2.110 1.763 14.413 1.00 0.00 S ATOM 0 H CYS A 80 2.256 0.134 16.409 1.00 0.00 H new ATOM 0 HA CYS A 80 5.088 0.743 16.448 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.491 2.019 14.385 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.027 0.330 14.324 1.00 0.00 H new ATOM 0 HG CYS A 80 1.296 0.817 14.775 1.00 0.00 H new ATOM 1243 N GLN A 81 5.009 3.365 16.662 1.00 0.00 N ATOM 1244 CA GLN A 81 5.068 4.707 17.231 1.00 0.00 C ATOM 1245 C GLN A 81 3.791 5.483 16.930 1.00 0.00 C ATOM 1246 O GLN A 81 3.007 5.784 17.831 1.00 0.00 O ATOM 1247 CB GLN A 81 6.280 5.463 16.682 1.00 0.00 C ATOM 1248 CG GLN A 81 6.119 6.974 16.713 1.00 0.00 C ATOM 1249 CD GLN A 81 7.415 7.705 16.422 1.00 0.00 C ATOM 1250 OE1 GLN A 81 8.471 7.353 16.947 1.00 0.00 O ATOM 1251 NE2 GLN A 81 7.340 8.729 15.580 1.00 0.00 N ATOM 0 H GLN A 81 5.773 3.143 16.024 1.00 0.00 H new ATOM 0 HA GLN A 81 5.167 4.612 18.312 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.162 5.188 17.260 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.461 5.146 15.655 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.367 7.271 15.982 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.748 7.276 17.692 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.443 8.986 15.168 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.179 9.259 15.345 1.00 0.00 H new ATOM 1260 N THR A 82 3.586 5.806 15.656 1.00 0.00 N ATOM 1261 CA THR A 82 2.405 6.549 15.236 1.00 0.00 C ATOM 1262 C THR A 82 1.151 6.025 15.928 1.00 0.00 C ATOM 1263 O THR A 82 0.463 6.764 16.630 1.00 0.00 O ATOM 1264 CB THR A 82 2.205 6.471 13.711 1.00 0.00 C ATOM 1265 OG1 THR A 82 2.249 5.107 13.280 1.00 0.00 O ATOM 1266 CG2 THR A 82 3.275 7.272 12.984 1.00 0.00 C ATOM 0 H THR A 82 4.224 5.564 14.897 1.00 0.00 H new ATOM 0 HA THR A 82 2.568 7.588 15.521 1.00 0.00 H new ATOM 0 HB THR A 82 1.230 6.895 13.472 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.621 4.978 12.539 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.114 7.202 11.908 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.220 8.316 13.292 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.259 6.872 13.230 1.00 0.00 H new ATOM 1274 N GLY A 83 0.861 4.743 15.726 1.00 0.00 N ATOM 1275 CA GLY A 83 -0.310 4.142 16.338 1.00 0.00 C ATOM 1276 C GLY A 83 -1.245 3.525 15.317 1.00 0.00 C ATOM 1277 O GLY A 83 -1.103 3.756 14.117 1.00 0.00 O ATOM 0 H GLY A 83 1.416 4.110 15.150 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.006 3.376 17.046 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.848 4.900 16.908 1.00 0.00 H new ATOM 1281 N GLN A 84 -2.202 2.736 15.795 1.00 0.00 N ATOM 1282 CA GLN A 84 -3.163 2.082 14.915 1.00 0.00 C ATOM 1283 C GLN A 84 -3.626 3.030 13.813 1.00 0.00 C ATOM 1284 O GLN A 84 -3.669 4.245 14.004 1.00 0.00 O ATOM 1285 CB GLN A 84 -4.367 1.587 15.717 1.00 0.00 C ATOM 1286 CG GLN A 84 -4.685 2.445 16.931 1.00 0.00 C ATOM 1287 CD GLN A 84 -6.060 2.162 17.503 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -6.652 1.115 17.237 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -6.576 3.095 18.294 1.00 0.00 N ATOM 0 H GLN A 84 -2.332 2.534 16.786 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.669 1.228 14.451 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.240 1.558 15.065 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.179 0.564 16.045 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.933 2.271 17.701 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.621 3.497 16.654 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.050 3.947 18.487 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.498 2.959 18.708 1.00 0.00 H new ATOM 1298 N GLY A 85 -3.971 2.467 12.660 1.00 0.00 N ATOM 1299 CA GLY A 85 -4.425 3.277 11.545 1.00 0.00 C ATOM 1300 C GLY A 85 -3.614 3.039 10.286 1.00 0.00 C ATOM 1301 O GLY A 85 -2.473 2.580 10.353 1.00 0.00 O ATOM 0 H GLY A 85 -3.944 1.464 12.478 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.474 3.058 11.344 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.366 4.331 11.818 1.00 0.00 H new ATOM 1305 N ILE A 86 -4.204 3.349 9.137 1.00 0.00 N ATOM 1306 CA ILE A 86 -3.529 3.165 7.858 1.00 0.00 C ATOM 1307 C ILE A 86 -2.932 4.476 7.358 1.00 0.00 C ATOM 1308 O ILE A 86 -3.435 5.557 7.667 1.00 0.00 O ATOM 1309 CB ILE A 86 -4.488 2.610 6.789 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -4.788 1.134 7.059 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -3.895 2.790 5.400 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -6.157 0.699 6.583 1.00 0.00 C ATOM 0 H ILE A 86 -5.148 3.729 9.065 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.729 2.444 8.025 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.424 3.167 6.838 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.030 0.522 6.569 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.707 0.945 8.129 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.585 2.393 4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.728 3.850 5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.947 2.256 5.337 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.301 -0.358 6.807 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.922 1.285 7.091 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.235 0.856 5.507 1.00 0.00 H new ATOM 1324 N PHE A 87 -1.858 4.374 6.583 1.00 0.00 N ATOM 1325 CA PHE A 87 -1.193 5.552 6.038 1.00 0.00 C ATOM 1326 C PHE A 87 -1.009 5.424 4.529 1.00 0.00 C ATOM 1327 O PHE A 87 -0.293 4.543 4.052 1.00 0.00 O ATOM 1328 CB PHE A 87 0.165 5.754 6.713 1.00 0.00 C ATOM 1329 CG PHE A 87 0.097 5.742 8.213 1.00 0.00 C ATOM 1330 CD1 PHE A 87 0.141 4.547 8.912 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -0.011 6.926 8.925 1.00 0.00 C ATOM 1332 CE1 PHE A 87 0.078 4.533 10.293 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -0.074 6.919 10.305 1.00 0.00 C ATOM 1334 CZ PHE A 87 -0.029 5.720 10.990 1.00 0.00 C ATOM 0 H PHE A 87 -1.429 3.487 6.318 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.823 6.419 6.237 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.846 4.970 6.382 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.587 6.703 6.384 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.225 3.616 8.372 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.046 7.866 8.394 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.112 3.594 10.826 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.158 7.849 10.847 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.077 5.711 12.069 1.00 0.00 H new ATOM 1344 N ALA A 88 -1.662 6.308 3.782 1.00 0.00 N ATOM 1345 CA ALA A 88 -1.571 6.296 2.328 1.00 0.00 C ATOM 1346 C ALA A 88 -0.854 7.540 1.812 1.00 0.00 C ATOM 1347 O ALA A 88 -1.030 8.635 2.345 1.00 0.00 O ATOM 1348 CB ALA A 88 -2.958 6.191 1.712 1.00 0.00 C ATOM 0 H ALA A 88 -2.260 7.042 4.161 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.988 5.424 2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.874 6.183 0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.435 5.270 2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.560 7.045 2.023 1.00 0.00 H new ATOM 1354 N PHE A 89 -0.046 7.362 0.772 1.00 0.00 N ATOM 1355 CA PHE A 89 0.699 8.470 0.186 1.00 0.00 C ATOM 1356 C PHE A 89 0.679 8.393 -1.338 1.00 0.00 C ATOM 1357 O PHE A 89 0.616 7.308 -1.915 1.00 0.00 O ATOM 1358 CB PHE A 89 2.144 8.464 0.689 1.00 0.00 C ATOM 1359 CG PHE A 89 2.260 8.292 2.177 1.00 0.00 C ATOM 1360 CD1 PHE A 89 2.087 7.046 2.758 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.544 9.374 2.993 1.00 0.00 C ATOM 1362 CE1 PHE A 89 2.192 6.884 4.127 1.00 0.00 C ATOM 1363 CE2 PHE A 89 2.651 9.219 4.363 1.00 0.00 C ATOM 1364 CZ PHE A 89 2.476 7.972 4.930 1.00 0.00 C ATOM 0 H PHE A 89 0.109 6.462 0.318 1.00 0.00 H new ATOM 0 HA PHE A 89 0.219 9.400 0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.689 7.660 0.195 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.625 9.399 0.401 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.868 6.192 2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.684 10.351 2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.052 5.908 4.568 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.871 10.072 4.988 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.561 7.847 5.999 1.00 0.00 H new ATOM 1374 N LYS A 90 0.733 9.553 -1.984 1.00 0.00 N ATOM 1375 CA LYS A 90 0.722 9.619 -3.440 1.00 0.00 C ATOM 1376 C LYS A 90 2.132 9.470 -4.003 1.00 0.00 C ATOM 1377 O LYS A 90 3.028 10.247 -3.671 1.00 0.00 O ATOM 1378 CB LYS A 90 0.113 10.944 -3.906 1.00 0.00 C ATOM 1379 CG LYS A 90 -1.393 10.888 -4.095 1.00 0.00 C ATOM 1380 CD LYS A 90 -1.910 12.123 -4.815 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.307 11.897 -5.373 1.00 0.00 C ATOM 1382 NZ LYS A 90 -3.288 11.025 -6.579 1.00 0.00 N ATOM 0 H LYS A 90 0.785 10.461 -1.521 1.00 0.00 H new ATOM 0 HA LYS A 90 0.113 8.795 -3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.351 11.719 -3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.578 11.237 -4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.656 9.997 -4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.880 10.801 -3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.924 12.968 -4.127 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.230 12.384 -5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.935 11.443 -4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.757 12.857 -5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.211 11.071 -7.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.545 11.350 -7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.094 10.044 -6.295 1.00 0.00 H new ATOM 1396 N CYS A 91 2.320 8.469 -4.855 1.00 0.00 N ATOM 1397 CA CYS A 91 3.622 8.218 -5.464 1.00 0.00 C ATOM 1398 C CYS A 91 3.466 7.758 -6.910 1.00 0.00 C ATOM 1399 O CYS A 91 2.350 7.594 -7.403 1.00 0.00 O ATOM 1400 CB CYS A 91 4.390 7.167 -4.662 1.00 0.00 C ATOM 1401 SG CYS A 91 6.187 7.351 -4.735 1.00 0.00 S ATOM 0 H CYS A 91 1.588 7.818 -5.140 1.00 0.00 H new ATOM 0 HA CYS A 91 4.185 9.152 -5.457 1.00 0.00 H new ATOM 0 HB2 CYS A 91 4.072 7.217 -3.620 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.122 6.177 -5.030 1.00 0.00 H new ATOM 0 HG CYS A 91 6.509 8.580 -4.458 1.00 0.00 H new ATOM 1407 N SER A 92 4.593 7.553 -7.585 1.00 0.00 N ATOM 1408 CA SER A 92 4.581 7.117 -8.977 1.00 0.00 C ATOM 1409 C SER A 92 5.245 5.751 -9.123 1.00 0.00 C ATOM 1410 O SER A 92 4.995 5.028 -10.088 1.00 0.00 O ATOM 1411 CB SER A 92 5.296 8.141 -9.860 1.00 0.00 C ATOM 1412 OG SER A 92 5.475 7.645 -11.175 1.00 0.00 O ATOM 0 H SER A 92 5.525 7.682 -7.191 1.00 0.00 H new ATOM 0 HA SER A 92 3.543 7.034 -9.298 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.718 9.065 -9.892 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.265 8.386 -9.426 1.00 0.00 H new ATOM 0 HG SER A 92 5.933 8.319 -11.719 1.00 0.00 H new ATOM 1418 N ARG A 93 6.092 5.405 -8.159 1.00 0.00 N ATOM 1419 CA ARG A 93 6.793 4.127 -8.181 1.00 0.00 C ATOM 1420 C ARG A 93 6.259 3.196 -7.096 1.00 0.00 C ATOM 1421 O ARG A 93 7.028 2.596 -6.346 1.00 0.00 O ATOM 1422 CB ARG A 93 8.296 4.342 -7.989 1.00 0.00 C ATOM 1423 CG ARG A 93 8.836 5.556 -8.726 1.00 0.00 C ATOM 1424 CD ARG A 93 8.892 5.317 -10.227 1.00 0.00 C ATOM 1425 NE ARG A 93 10.075 4.555 -10.616 1.00 0.00 N ATOM 1426 CZ ARG A 93 10.155 3.844 -11.736 1.00 0.00 C ATOM 1427 NH1 ARG A 93 9.128 3.800 -12.573 1.00 0.00 N ATOM 1428 NH2 ARG A 93 11.266 3.177 -12.021 1.00 0.00 N ATOM 0 H ARG A 93 6.309 5.992 -7.353 1.00 0.00 H new ATOM 0 HA ARG A 93 6.620 3.663 -9.152 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.506 4.450 -6.925 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.828 3.454 -8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.205 6.420 -8.517 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.834 5.793 -8.357 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.996 4.782 -10.543 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.891 6.275 -10.747 1.00 0.00 H new ATOM 0 HE ARG A 93 10.884 4.569 -9.995 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.273 4.313 -12.358 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.193 3.253 -13.432 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.059 3.210 -11.380 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.327 2.631 -12.881 1.00 0.00 H new ATOM 1442 N ALA A 94 4.937 3.081 -7.021 1.00 0.00 N ATOM 1443 CA ALA A 94 4.301 2.222 -6.030 1.00 0.00 C ATOM 1444 C ALA A 94 4.905 0.822 -6.048 1.00 0.00 C ATOM 1445 O ALA A 94 5.580 0.416 -5.103 1.00 0.00 O ATOM 1446 CB ALA A 94 2.801 2.155 -6.275 1.00 0.00 C ATOM 0 H ALA A 94 4.286 3.572 -7.634 1.00 0.00 H new ATOM 0 HA ALA A 94 4.478 2.653 -5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.339 1.510 -5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.376 3.156 -6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.612 1.751 -7.270 1.00 0.00 H new ATOM 1452 N GLU A 95 4.655 0.089 -7.128 1.00 0.00 N ATOM 1453 CA GLU A 95 5.174 -1.267 -7.267 1.00 0.00 C ATOM 1454 C GLU A 95 6.626 -1.344 -6.802 1.00 0.00 C ATOM 1455 O GLU A 95 6.970 -2.153 -5.941 1.00 0.00 O ATOM 1456 CB GLU A 95 5.067 -1.731 -8.721 1.00 0.00 C ATOM 1457 CG GLU A 95 4.940 -3.238 -8.871 1.00 0.00 C ATOM 1458 CD GLU A 95 4.149 -3.637 -10.101 1.00 0.00 C ATOM 1459 OE1 GLU A 95 4.003 -2.796 -11.012 1.00 0.00 O ATOM 1460 OE2 GLU A 95 3.676 -4.792 -10.153 1.00 0.00 O ATOM 0 H GLU A 95 4.097 0.411 -7.919 1.00 0.00 H new ATOM 0 HA GLU A 95 4.574 -1.925 -6.638 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.203 -1.254 -9.183 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.948 -1.393 -9.267 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.935 -3.679 -8.925 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.457 -3.648 -7.984 1.00 0.00 H new ATOM 1467 N GLU A 96 7.472 -0.497 -7.381 1.00 0.00 N ATOM 1468 CA GLU A 96 8.886 -0.471 -7.027 1.00 0.00 C ATOM 1469 C GLU A 96 9.076 -0.672 -5.526 1.00 0.00 C ATOM 1470 O GLU A 96 9.859 -1.520 -5.097 1.00 0.00 O ATOM 1471 CB GLU A 96 9.518 0.854 -7.459 1.00 0.00 C ATOM 1472 CG GLU A 96 9.895 0.898 -8.930 1.00 0.00 C ATOM 1473 CD GLU A 96 8.962 0.074 -9.796 1.00 0.00 C ATOM 1474 OE1 GLU A 96 7.762 0.414 -9.866 1.00 0.00 O ATOM 1475 OE2 GLU A 96 9.432 -0.910 -10.404 1.00 0.00 O ATOM 0 H GLU A 96 7.203 0.179 -8.096 1.00 0.00 H new ATOM 0 HA GLU A 96 9.380 -1.289 -7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.822 1.665 -7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.410 1.034 -6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.884 1.933 -9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.915 0.532 -9.051 1.00 0.00 H new ATOM 1482 N ILE A 97 8.353 0.113 -4.734 1.00 0.00 N ATOM 1483 CA ILE A 97 8.441 0.021 -3.282 1.00 0.00 C ATOM 1484 C ILE A 97 7.843 -1.288 -2.777 1.00 0.00 C ATOM 1485 O ILE A 97 8.296 -1.845 -1.776 1.00 0.00 O ATOM 1486 CB ILE A 97 7.720 1.198 -2.599 1.00 0.00 C ATOM 1487 CG1 ILE A 97 8.258 2.529 -3.128 1.00 0.00 C ATOM 1488 CG2 ILE A 97 7.887 1.116 -1.089 1.00 0.00 C ATOM 1489 CD1 ILE A 97 7.226 3.635 -3.141 1.00 0.00 C ATOM 0 H ILE A 97 7.700 0.819 -5.073 1.00 0.00 H new ATOM 0 HA ILE A 97 9.500 0.057 -3.027 1.00 0.00 H new ATOM 0 HB ILE A 97 6.657 1.139 -2.831 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.104 2.839 -2.515 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.635 2.383 -4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.372 1.954 -0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.462 0.180 -0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.947 1.155 -0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.677 4.549 -3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.390 3.345 -3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.866 3.809 -2.127 1.00 0.00 H new ATOM 1501 N PHE A 98 6.825 -1.777 -3.478 1.00 0.00 N ATOM 1502 CA PHE A 98 6.165 -3.022 -3.101 1.00 0.00 C ATOM 1503 C PHE A 98 7.032 -4.226 -3.458 1.00 0.00 C ATOM 1504 O PHE A 98 6.870 -5.308 -2.897 1.00 0.00 O ATOM 1505 CB PHE A 98 4.806 -3.134 -3.795 1.00 0.00 C ATOM 1506 CG PHE A 98 4.423 -4.545 -4.139 1.00 0.00 C ATOM 1507 CD1 PHE A 98 4.941 -5.162 -5.266 1.00 0.00 C ATOM 1508 CD2 PHE A 98 3.545 -5.253 -3.336 1.00 0.00 C ATOM 1509 CE1 PHE A 98 4.591 -6.460 -5.586 1.00 0.00 C ATOM 1510 CE2 PHE A 98 3.191 -6.552 -3.650 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.714 -7.156 -4.777 1.00 0.00 C ATOM 0 H PHE A 98 6.439 -1.330 -4.310 1.00 0.00 H new ATOM 0 HA PHE A 98 6.014 -3.012 -2.022 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.040 -2.706 -3.148 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.823 -2.538 -4.707 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.627 -4.622 -5.902 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.132 -4.785 -2.454 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.003 -6.930 -6.467 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.506 -7.094 -3.015 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.438 -8.170 -5.025 1.00 0.00 H new ATOM 1521 N ASN A 99 7.952 -4.028 -4.396 1.00 0.00 N ATOM 1522 CA ASN A 99 8.844 -5.097 -4.830 1.00 0.00 C ATOM 1523 C ASN A 99 10.139 -5.086 -4.023 1.00 0.00 C ATOM 1524 O ASN A 99 10.707 -6.138 -3.725 1.00 0.00 O ATOM 1525 CB ASN A 99 9.158 -4.955 -6.321 1.00 0.00 C ATOM 1526 CG ASN A 99 8.167 -5.701 -7.194 1.00 0.00 C ATOM 1527 OD1 ASN A 99 7.822 -6.849 -6.918 1.00 0.00 O ATOM 1528 ND2 ASN A 99 7.705 -5.048 -8.254 1.00 0.00 N ATOM 0 H ASN A 99 8.100 -3.137 -4.870 1.00 0.00 H new ATOM 0 HA ASN A 99 8.339 -6.048 -4.661 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.153 -3.899 -6.592 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.163 -5.330 -6.515 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.036 -5.498 -8.878 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.019 -4.096 -8.444 1.00 0.00 H new ATOM 1535 N LEU A 100 10.600 -3.891 -3.671 1.00 0.00 N ATOM 1536 CA LEU A 100 11.828 -3.742 -2.898 1.00 0.00 C ATOM 1537 C LEU A 100 11.585 -4.054 -1.425 1.00 0.00 C ATOM 1538 O LEU A 100 12.437 -4.637 -0.753 1.00 0.00 O ATOM 1539 CB LEU A 100 12.378 -2.322 -3.046 1.00 0.00 C ATOM 1540 CG LEU A 100 13.896 -2.175 -2.929 1.00 0.00 C ATOM 1541 CD1 LEU A 100 14.369 -0.930 -3.663 1.00 0.00 C ATOM 1542 CD2 LEU A 100 14.316 -2.127 -1.468 1.00 0.00 C ATOM 0 H LEU A 100 10.142 -3.011 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 100 12.560 -4.451 -3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.069 -1.933 -4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 100 11.912 -1.693 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 100 14.363 -3.044 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.451 -0.841 -3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 100 14.101 -1.005 -4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 100 13.894 -0.050 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 100 15.399 -2.022 -1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 100 13.840 -1.276 -0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.011 -3.048 -0.971 1.00 0.00 H new ATOM 1554 N LEU A 101 10.416 -3.663 -0.928 1.00 0.00 N ATOM 1555 CA LEU A 101 10.059 -3.903 0.466 1.00 0.00 C ATOM 1556 C LEU A 101 10.234 -5.375 0.827 1.00 0.00 C ATOM 1557 O LEU A 101 10.879 -5.706 1.821 1.00 0.00 O ATOM 1558 CB LEU A 101 8.614 -3.471 0.724 1.00 0.00 C ATOM 1559 CG LEU A 101 8.419 -2.030 1.197 1.00 0.00 C ATOM 1560 CD1 LEU A 101 6.948 -1.649 1.155 1.00 0.00 C ATOM 1561 CD2 LEU A 101 8.979 -1.848 2.600 1.00 0.00 C ATOM 0 H LEU A 101 9.700 -3.179 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 101 10.726 -3.312 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.044 -3.611 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.184 -4.139 1.471 1.00 0.00 H new ATOM 0 HG LEU A 101 8.964 -1.370 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.829 -0.620 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.578 -1.739 0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.381 -2.314 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.831 -0.816 2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.463 -2.518 3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.044 -2.079 2.599 1.00 0.00 H new ATOM 1573 N GLN A 102 9.656 -6.252 0.013 1.00 0.00 N ATOM 1574 CA GLN A 102 9.750 -7.688 0.246 1.00 0.00 C ATOM 1575 C GLN A 102 11.189 -8.171 0.099 1.00 0.00 C ATOM 1576 O GLN A 102 11.571 -9.196 0.663 1.00 0.00 O ATOM 1577 CB GLN A 102 8.843 -8.444 -0.726 1.00 0.00 C ATOM 1578 CG GLN A 102 9.131 -8.141 -2.187 1.00 0.00 C ATOM 1579 CD GLN A 102 8.348 -9.030 -3.133 1.00 0.00 C ATOM 1580 OE1 GLN A 102 7.260 -8.671 -3.584 1.00 0.00 O ATOM 1581 NE2 GLN A 102 8.898 -10.200 -3.438 1.00 0.00 N ATOM 0 H GLN A 102 9.118 -5.993 -0.814 1.00 0.00 H new ATOM 0 HA GLN A 102 9.423 -7.887 1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.955 -9.515 -0.557 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.804 -8.194 -0.510 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.890 -7.098 -2.392 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.197 -8.265 -2.377 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.802 -10.458 -3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.417 -10.841 -4.069 1.00 0.00 H new ATOM 1590 N ASP A 103 11.982 -7.426 -0.664 1.00 0.00 N ATOM 1591 CA ASP A 103 13.380 -7.777 -0.885 1.00 0.00 C ATOM 1592 C ASP A 103 14.216 -7.489 0.357 1.00 0.00 C ATOM 1593 O ASP A 103 15.223 -8.153 0.609 1.00 0.00 O ATOM 1594 CB ASP A 103 13.939 -7.006 -2.082 1.00 0.00 C ATOM 1595 CG ASP A 103 13.716 -7.731 -3.394 1.00 0.00 C ATOM 1596 OD1 ASP A 103 12.546 -7.864 -3.807 1.00 0.00 O ATOM 1597 OD2 ASP A 103 14.713 -8.168 -4.007 1.00 0.00 O ATOM 0 H ASP A 103 11.680 -6.576 -1.140 1.00 0.00 H new ATOM 0 HA ASP A 103 13.431 -8.845 -1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.469 -6.024 -2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.007 -6.842 -1.938 1.00 0.00 H new ATOM 1602 N LEU A 104 13.794 -6.495 1.131 1.00 0.00 N ATOM 1603 CA LEU A 104 14.505 -6.118 2.348 1.00 0.00 C ATOM 1604 C LEU A 104 14.010 -6.929 3.541 1.00 0.00 C ATOM 1605 O LEU A 104 14.806 -7.435 4.333 1.00 0.00 O ATOM 1606 CB LEU A 104 14.327 -4.624 2.623 1.00 0.00 C ATOM 1607 CG LEU A 104 14.956 -3.674 1.604 1.00 0.00 C ATOM 1608 CD1 LEU A 104 14.775 -2.228 2.039 1.00 0.00 C ATOM 1609 CD2 LEU A 104 16.431 -3.995 1.415 1.00 0.00 C ATOM 0 H LEU A 104 12.963 -5.936 0.938 1.00 0.00 H new ATOM 0 HA LEU A 104 15.564 -6.331 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.260 -4.410 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.748 -4.403 3.604 1.00 0.00 H new ATOM 0 HG LEU A 104 14.450 -3.810 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 104 15.229 -1.567 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 104 13.712 -2.003 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 104 15.254 -2.076 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.862 -3.309 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.952 -3.888 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.538 -5.019 1.057 1.00 0.00 H new ATOM 1621 N MET A 105 12.692 -7.051 3.662 1.00 0.00 N ATOM 1622 CA MET A 105 12.092 -7.804 4.757 1.00 0.00 C ATOM 1623 C MET A 105 12.712 -9.194 4.865 1.00 0.00 C ATOM 1624 O MET A 105 12.948 -9.693 5.965 1.00 0.00 O ATOM 1625 CB MET A 105 10.580 -7.922 4.555 1.00 0.00 C ATOM 1626 CG MET A 105 9.849 -6.593 4.655 1.00 0.00 C ATOM 1627 SD MET A 105 8.129 -6.706 4.125 1.00 0.00 S ATOM 1628 CE MET A 105 7.285 -6.674 5.705 1.00 0.00 C ATOM 0 H MET A 105 12.020 -6.638 3.016 1.00 0.00 H new ATOM 0 HA MET A 105 12.287 -7.265 5.684 1.00 0.00 H new ATOM 0 HB2 MET A 105 10.385 -8.362 3.577 1.00 0.00 H new ATOM 0 HB3 MET A 105 10.174 -8.608 5.299 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.885 -6.239 5.685 1.00 0.00 H new ATOM 0 HG3 MET A 105 10.365 -5.852 4.045 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.523 -7.453 5.726 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.004 -6.848 6.505 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.814 -5.701 5.846 1.00 0.00 H new ATOM 2275 N PHE B 2 -1.751 11.385 7.964 1.00 0.00 N ATOM 2276 CA PHE B 2 -3.205 11.286 7.992 1.00 0.00 C ATOM 2277 C PHE B 2 -3.648 9.901 8.455 1.00 0.00 C ATOM 2278 O PHE B 2 -2.903 8.928 8.337 1.00 0.00 O ATOM 2279 CB PHE B 2 -3.784 11.582 6.607 1.00 0.00 C ATOM 2280 CG PHE B 2 -5.284 11.651 6.586 1.00 0.00 C ATOM 2281 CD1 PHE B 2 -5.940 12.843 6.845 1.00 0.00 C ATOM 2282 CD2 PHE B 2 -6.039 10.522 6.309 1.00 0.00 C ATOM 2283 CE1 PHE B 2 -7.321 12.910 6.826 1.00 0.00 C ATOM 2284 CE2 PHE B 2 -7.419 10.582 6.288 1.00 0.00 C ATOM 2285 CZ PHE B 2 -8.061 11.778 6.548 1.00 0.00 C ATOM 0 HA PHE B 2 -3.580 12.024 8.701 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -3.380 12.528 6.248 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -3.454 10.810 5.912 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -5.366 13.731 7.064 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -5.543 9.584 6.107 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -7.820 13.846 7.028 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -7.995 9.695 6.069 1.00 0.00 H new ATOM 0 HZ PHE B 2 -9.140 11.827 6.534 1.00 0.00 H new ATOM 2295 N ARG B 3 -4.865 9.820 8.982 1.00 0.00 N ATOM 2296 CA ARG B 3 -5.407 8.556 9.465 1.00 0.00 C ATOM 2297 C ARG B 3 -6.499 8.041 8.532 1.00 0.00 C ATOM 2298 O ARG B 3 -7.550 8.667 8.384 1.00 0.00 O ATOM 2299 CB ARG B 3 -5.965 8.722 10.879 1.00 0.00 C ATOM 2300 CG ARG B 3 -6.631 10.068 11.117 1.00 0.00 C ATOM 2301 CD ARG B 3 -5.621 11.121 11.544 1.00 0.00 C ATOM 2302 NE ARG B 3 -6.108 12.477 11.302 1.00 0.00 N ATOM 2303 CZ ARG B 3 -5.387 13.569 11.530 1.00 0.00 C ATOM 2304 NH1 ARG B 3 -4.152 13.465 12.001 1.00 0.00 N ATOM 2305 NH2 ARG B 3 -5.901 14.767 11.285 1.00 0.00 N ATOM 0 H ARG B 3 -5.495 10.616 9.085 1.00 0.00 H new ATOM 0 HA ARG B 3 -4.597 7.827 9.486 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -6.688 7.929 11.070 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -5.155 8.595 11.597 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -7.134 10.393 10.206 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -7.398 9.965 11.885 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -5.397 11.000 12.604 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -4.688 10.969 11.002 1.00 0.00 H new ATOM 0 HE ARG B 3 -7.054 12.591 10.938 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -3.754 12.545 12.189 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -3.600 14.305 12.175 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -6.850 14.850 10.921 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -5.347 15.605 11.460 1.00 0.00 H new ATOM 2319 N LEU B 4 -6.245 6.898 7.905 1.00 0.00 N ATOM 2320 CA LEU B 4 -7.206 6.299 6.986 1.00 0.00 C ATOM 2321 C LEU B 4 -8.065 5.258 7.698 1.00 0.00 C ATOM 2322 O LEU B 4 -7.717 4.789 8.782 1.00 0.00 O ATOM 2323 CB LEU B 4 -6.479 5.655 5.804 1.00 0.00 C ATOM 2324 CG LEU B 4 -6.193 6.570 4.613 1.00 0.00 C ATOM 2325 CD1 LEU B 4 -5.176 5.930 3.681 1.00 0.00 C ATOM 2326 CD2 LEU B 4 -7.479 6.888 3.864 1.00 0.00 C ATOM 0 H LEU B 4 -5.381 6.367 8.016 1.00 0.00 H new ATOM 0 HA LEU B 4 -7.858 7.090 6.616 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -5.532 5.251 6.162 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.073 4.811 5.454 1.00 0.00 H new ATOM 0 HG LEU B 4 -5.774 7.504 4.989 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -4.985 6.595 2.839 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -4.247 5.754 4.223 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -5.567 4.982 3.312 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.256 7.540 3.020 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -7.926 5.963 3.500 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.177 7.389 4.535 1.00 0.00 H new ATOM 2338 N ARG B 5 -9.186 4.901 7.081 1.00 0.00 N ATOM 2339 CA ARG B 5 -10.093 3.915 7.655 1.00 0.00 C ATOM 2340 C ARG B 5 -10.234 2.705 6.736 1.00 0.00 C ATOM 2341 O ARG B 5 -10.755 1.664 7.138 1.00 0.00 O ATOM 2342 CB ARG B 5 -11.467 4.540 7.907 1.00 0.00 C ATOM 2343 CG ARG B 5 -11.493 5.498 9.087 1.00 0.00 C ATOM 2344 CD ARG B 5 -10.922 6.857 8.714 1.00 0.00 C ATOM 2345 NE ARG B 5 -11.525 7.936 9.492 1.00 0.00 N ATOM 2346 CZ ARG B 5 -11.052 9.177 9.517 1.00 0.00 C ATOM 2347 NH1 ARG B 5 -9.976 9.494 8.811 1.00 0.00 N ATOM 2348 NH2 ARG B 5 -11.657 10.104 10.249 1.00 0.00 N ATOM 0 H ARG B 5 -9.488 5.280 6.183 1.00 0.00 H new ATOM 0 HA ARG B 5 -9.673 3.582 8.604 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -11.785 5.072 7.010 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -12.192 3.745 8.079 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -12.518 5.617 9.438 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -10.920 5.076 9.913 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -9.844 6.854 8.874 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -11.086 7.040 7.652 1.00 0.00 H new ATOM 0 HE ARG B 5 -12.355 7.725 10.046 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -9.509 8.784 8.247 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -9.615 10.448 8.832 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -12.486 9.864 10.793 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -11.293 11.057 10.268 1.00 0.00 H new ATOM 2362 N HIS B 6 -9.766 2.850 5.500 1.00 0.00 N ATOM 2363 CA HIS B 6 -9.839 1.769 4.524 1.00 0.00 C ATOM 2364 C HIS B 6 -8.495 1.571 3.830 1.00 0.00 C ATOM 2365 O HIS B 6 -7.590 2.396 3.961 1.00 0.00 O ATOM 2366 CB HIS B 6 -10.923 2.063 3.487 1.00 0.00 C ATOM 2367 CG HIS B 6 -12.311 2.041 4.048 1.00 0.00 C ATOM 2368 ND1 HIS B 6 -13.150 0.951 3.942 1.00 0.00 N ATOM 2369 CD2 HIS B 6 -13.007 2.984 4.727 1.00 0.00 C ATOM 2370 CE1 HIS B 6 -14.301 1.225 4.529 1.00 0.00 C ATOM 2371 NE2 HIS B 6 -14.240 2.452 5.014 1.00 0.00 N ATOM 0 H HIS B 6 -9.333 3.705 5.151 1.00 0.00 H new ATOM 0 HA HIS B 6 -10.093 0.851 5.054 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -10.735 3.041 3.044 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -10.853 1.330 2.683 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -12.657 3.971 4.993 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -15.148 0.559 4.600 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -14.987 2.927 5.520 1.00 0.00 H new ATOM 2380 N PHE B 7 -8.371 0.473 3.093 1.00 0.00 N ATOM 2381 CA PHE B 7 -7.136 0.166 2.379 1.00 0.00 C ATOM 2382 C PHE B 7 -7.367 0.156 0.871 1.00 0.00 C ATOM 2383 O PHE B 7 -8.027 -0.729 0.325 1.00 0.00 O ATOM 2384 CB PHE B 7 -6.584 -1.187 2.831 1.00 0.00 C ATOM 2385 CG PHE B 7 -5.106 -1.336 2.609 1.00 0.00 C ATOM 2386 CD1 PHE B 7 -4.230 -0.331 2.988 1.00 0.00 C ATOM 2387 CD2 PHE B 7 -4.592 -2.481 2.021 1.00 0.00 C ATOM 2388 CE1 PHE B 7 -2.870 -0.465 2.786 1.00 0.00 C ATOM 2389 CE2 PHE B 7 -3.232 -2.620 1.817 1.00 0.00 C ATOM 2390 CZ PHE B 7 -2.370 -1.611 2.198 1.00 0.00 C ATOM 0 H PHE B 7 -9.110 -0.220 2.974 1.00 0.00 H new ATOM 0 HA PHE B 7 -6.408 0.944 2.612 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -6.800 -1.323 3.891 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -7.106 -1.980 2.296 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -4.615 0.568 3.447 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -5.261 -3.273 1.719 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -2.198 0.325 3.087 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.844 -3.518 1.360 1.00 0.00 H new ATOM 0 HZ PHE B 7 -1.307 -1.717 2.037 1.00 0.00 H new ATOM 2400 N PRO B 8 -6.812 1.163 0.181 1.00 0.00 N ATOM 2401 CA PRO B 8 -6.944 1.294 -1.273 1.00 0.00 C ATOM 2402 C PRO B 8 -6.164 0.220 -2.024 1.00 0.00 C ATOM 2403 O PRO B 8 -6.702 -0.447 -2.909 1.00 0.00 O ATOM 2404 CB PRO B 8 -6.358 2.679 -1.559 1.00 0.00 C ATOM 2405 CG PRO B 8 -5.416 2.931 -0.434 1.00 0.00 C ATOM 2406 CD PRO B 8 -6.014 2.253 0.767 1.00 0.00 C ATOM 0 HA PRO B 8 -7.977 1.177 -1.601 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -5.843 2.700 -2.519 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -7.139 3.439 -1.599 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -4.427 2.530 -0.656 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -5.295 4.000 -0.259 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -5.244 1.872 1.438 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.633 2.937 1.348 1.00 0.00 H new ATOM 2414 N CYS B 9 -4.896 0.057 -1.666 1.00 0.00 N ATOM 2415 CA CYS B 9 -4.041 -0.936 -2.307 1.00 0.00 C ATOM 2416 C CYS B 9 -4.809 -2.229 -2.564 1.00 0.00 C ATOM 2417 O CYS B 9 -5.776 -2.537 -1.868 1.00 0.00 O ATOM 2418 CB CYS B 9 -2.815 -1.221 -1.439 1.00 0.00 C ATOM 2419 SG CYS B 9 -1.499 0.009 -1.593 1.00 0.00 S ATOM 0 H CYS B 9 -4.436 0.600 -0.935 1.00 0.00 H new ATOM 0 HA CYS B 9 -3.712 -0.533 -3.265 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.126 -1.275 -0.396 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -2.415 -2.200 -1.704 1.00 0.00 H new ATOM 0 HG CYS B 9 -1.883 1.126 -1.049 1.00 0.00 H new ATOM 2425 N GLY B 10 -4.372 -2.982 -3.569 1.00 0.00 N ATOM 2426 CA GLY B 10 -5.031 -4.231 -3.901 1.00 0.00 C ATOM 2427 C GLY B 10 -4.106 -5.426 -3.773 1.00 0.00 C ATOM 2428 O GLY B 10 -4.283 -6.264 -2.891 1.00 0.00 O ATOM 0 H GLY B 10 -3.573 -2.749 -4.159 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -5.891 -4.370 -3.246 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -5.412 -4.178 -4.921 1.00 0.00 H new ATOM 2432 N ASN B 11 -3.117 -5.504 -4.658 1.00 0.00 N ATOM 2433 CA ASN B 11 -2.163 -6.607 -4.641 1.00 0.00 C ATOM 2434 C ASN B 11 -1.195 -6.471 -3.470 1.00 0.00 C ATOM 2435 O ASN B 11 -0.118 -5.890 -3.605 1.00 0.00 O ATOM 2436 CB ASN B 11 -1.384 -6.654 -5.958 1.00 0.00 C ATOM 2437 CG ASN B 11 -2.274 -6.972 -7.144 1.00 0.00 C ATOM 2438 OD1 ASN B 11 -2.748 -8.098 -7.295 1.00 0.00 O ATOM 2439 ND2 ASN B 11 -2.504 -5.978 -7.994 1.00 0.00 N ATOM 0 H ASN B 11 -2.956 -4.817 -5.395 1.00 0.00 H new ATOM 0 HA ASN B 11 -2.721 -7.536 -4.522 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -0.894 -5.694 -6.122 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -0.598 -7.405 -5.885 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -3.094 -6.132 -8.811 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -2.090 -5.060 -7.829 1.00 0.00 H new ATOM 2446 N VAL B 12 -1.586 -7.011 -2.320 1.00 0.00 N ATOM 2447 CA VAL B 12 -0.753 -6.952 -1.125 1.00 0.00 C ATOM 2448 C VAL B 12 -0.043 -8.279 -0.884 1.00 0.00 C ATOM 2449 O VAL B 12 -0.594 -9.347 -1.150 1.00 0.00 O ATOM 2450 CB VAL B 12 -1.584 -6.593 0.121 1.00 0.00 C ATOM 2451 CG1 VAL B 12 -2.617 -7.674 0.404 1.00 0.00 C ATOM 2452 CG2 VAL B 12 -0.677 -6.383 1.324 1.00 0.00 C ATOM 0 H VAL B 12 -2.475 -7.494 -2.191 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.011 -6.172 -1.295 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.113 -5.660 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.194 -7.403 1.288 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.286 -7.771 -0.451 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.111 -8.624 0.578 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.281 -6.130 2.195 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.119 -7.298 1.523 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.019 -5.570 1.117 1.00 0.00 H new ATOM 2462 N ASN B 13 1.183 -8.205 -0.377 1.00 0.00 N ATOM 2463 CA ASN B 13 1.969 -9.401 -0.099 1.00 0.00 C ATOM 2464 C ASN B 13 2.653 -9.299 1.261 1.00 0.00 C ATOM 2465 O ASN B 13 3.084 -8.221 1.671 1.00 0.00 O ATOM 2466 CB ASN B 13 3.017 -9.614 -1.194 1.00 0.00 C ATOM 2467 CG ASN B 13 4.039 -8.495 -1.242 1.00 0.00 C ATOM 2468 OD1 ASN B 13 3.722 -7.337 -0.966 1.00 0.00 O ATOM 2469 ND2 ASN B 13 5.273 -8.836 -1.593 1.00 0.00 N ATOM 0 H ASN B 13 1.654 -7.329 -0.150 1.00 0.00 H new ATOM 0 HA ASN B 13 1.291 -10.255 -0.082 1.00 0.00 H new ATOM 0 HB2 ASN B 13 3.528 -10.562 -1.025 1.00 0.00 H new ATOM 0 HB3 ASN B 13 2.519 -9.689 -2.160 1.00 0.00 H new ATOM 0 HD21 ASN B 13 6.004 -8.126 -1.643 1.00 0.00 H new ATOM 0 HD22 ASN B 13 5.490 -9.808 -1.813 1.00 0.00 H new ATOM 2476 N TYR B 14 2.749 -10.428 1.955 1.00 0.00 N ATOM 2477 CA TYR B 14 3.378 -10.466 3.269 1.00 0.00 C ATOM 2478 C TYR B 14 4.878 -10.716 3.148 1.00 0.00 C ATOM 2479 O TYR B 14 5.390 -10.973 2.060 1.00 0.00 O ATOM 2480 CB TYR B 14 2.737 -11.552 4.134 1.00 0.00 C ATOM 2481 CG TYR B 14 1.259 -11.739 3.875 1.00 0.00 C ATOM 2482 CD1 TYR B 14 0.386 -10.659 3.908 1.00 0.00 C ATOM 2483 CD2 TYR B 14 0.736 -12.995 3.595 1.00 0.00 C ATOM 2484 CE1 TYR B 14 -0.965 -10.825 3.673 1.00 0.00 C ATOM 2485 CE2 TYR B 14 -0.614 -13.171 3.357 1.00 0.00 C ATOM 2486 CZ TYR B 14 -1.460 -12.082 3.397 1.00 0.00 C ATOM 2487 OH TYR B 14 -2.805 -12.251 3.161 1.00 0.00 O ATOM 0 H TYR B 14 2.399 -11.329 1.629 1.00 0.00 H new ATOM 0 HA TYR B 14 3.227 -9.497 3.744 1.00 0.00 H new ATOM 0 HB2 TYR B 14 3.251 -12.497 3.956 1.00 0.00 H new ATOM 0 HB3 TYR B 14 2.884 -11.302 5.185 1.00 0.00 H new ATOM 0 HD1 TYR B 14 0.770 -9.672 4.121 1.00 0.00 H new ATOM 0 HD2 TYR B 14 1.396 -13.849 3.563 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -1.630 -9.975 3.705 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -1.004 -14.155 3.141 1.00 0.00 H new ATOM 0 HH TYR B 14 -2.989 -13.197 2.982 1.00 0.00 H new ATOM 2497 N GLY B 15 5.578 -10.639 4.276 1.00 0.00 N ATOM 2498 CA GLY B 15 7.012 -10.860 4.277 1.00 0.00 C ATOM 2499 C GLY B 15 7.491 -11.560 5.533 1.00 0.00 C ATOM 2500 O GLY B 15 7.585 -12.787 5.570 1.00 0.00 O ATOM 0 H GLY B 15 5.177 -10.427 5.190 1.00 0.00 H new ATOM 0 HA2 GLY B 15 7.285 -11.456 3.406 1.00 0.00 H new ATOM 0 HA3 GLY B 15 7.524 -9.902 4.181 1.00 0.00 H new