USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 406 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 53 CYS SG : rot -172:sc= 1.37 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -173:sc= -0.761 (180deg=-0.817) USER MOD Set 2.1: A 18 HIS : no HD1:sc= -0.214 K(o=1.8,f=-10!) USER MOD Set 2.2: A 25 ASN : amide:sc= -0.943 K(o=1.8,f=-0.32!) USER MOD Set 2.3: A 57 CYS SG : rot -135:sc= 1.27 USER MOD Set 2.4: A 58 GLN : amide:sc= 0 K(o=1.8,f=1) USER MOD Set 2.5: A 60 CYS SG : rot 33:sc= 1.73 USER MOD Set 3.1: A 20 CYS SG : rot -170:sc= 1.26 USER MOD Set 3.2: A 23 CYS SG : rot -139:sc= 0.978 USER MOD Set 3.3: A 26 ASN : amide:sc= -4.98! K(o=-3!,f=1.7) USER MOD Set 3.4: A 33 THR OG1 : rot 180:sc= -0.285 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 167:sc=-0.00153 (180deg=-0.205) USER MOD Single : A 32 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=-0.12) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.47) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0.287 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.93!) USER MOD Single : A 69 HIS : no HD1:sc= -0.16 K(o=-0.16,f=-0.73) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 221 N GLY A 16 60.886 -1.917 20.755 1.00 0.00 N ATOM 222 CA GLY A 16 62.205 -2.224 20.203 1.00 0.00 C ATOM 223 C GLY A 16 63.024 -0.958 19.994 1.00 0.00 C ATOM 224 O GLY A 16 62.484 0.074 19.594 1.00 0.00 O ATOM 0 HA2 GLY A 16 62.736 -2.897 20.877 1.00 0.00 H new ATOM 0 HA3 GLY A 16 62.092 -2.748 19.254 1.00 0.00 H new ATOM 228 N LYS A 17 64.335 -1.061 20.252 1.00 0.00 N ATOM 229 CA LYS A 17 65.234 0.068 20.076 1.00 0.00 C ATOM 230 C LYS A 17 65.585 0.199 18.597 1.00 0.00 C ATOM 231 O LYS A 17 65.508 1.276 18.022 1.00 0.00 O ATOM 232 CB LYS A 17 66.510 -0.135 20.899 1.00 0.00 C ATOM 233 CG LYS A 17 66.168 -0.310 22.403 1.00 0.00 C ATOM 234 CD LYS A 17 67.450 -0.558 23.228 1.00 0.00 C ATOM 235 CE LYS A 17 67.109 -0.781 24.710 1.00 0.00 C ATOM 236 NZ LYS A 17 68.371 -1.010 25.469 1.00 0.00 N ATOM 0 H LYS A 17 64.787 -1.914 20.581 1.00 0.00 H new ATOM 0 HA LYS A 17 64.742 0.978 20.420 1.00 0.00 H new ATOM 0 HB2 LYS A 17 67.046 -1.013 20.538 1.00 0.00 H new ATOM 0 HB3 LYS A 17 67.173 0.720 20.768 1.00 0.00 H new ATOM 0 HG2 LYS A 17 65.659 0.581 22.771 1.00 0.00 H new ATOM 0 HG3 LYS A 17 65.480 -1.146 22.530 1.00 0.00 H new ATOM 0 HD2 LYS A 17 67.978 -1.428 22.836 1.00 0.00 H new ATOM 0 HD3 LYS A 17 68.123 0.294 23.129 1.00 0.00 H new ATOM 0 HE2 LYS A 17 66.581 0.085 25.109 1.00 0.00 H new ATOM 0 HE3 LYS A 17 66.444 -1.638 24.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 68.149 -1.162 26.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 68.856 -1.849 25.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 68.990 -0.179 25.373 1.00 0.00 H new ATOM 250 N HIS A 18 66.005 -0.906 17.993 1.00 0.00 N ATOM 251 CA HIS A 18 66.401 -0.884 16.580 1.00 0.00 C ATOM 252 C HIS A 18 65.254 -0.477 15.647 1.00 0.00 C ATOM 253 O HIS A 18 65.445 0.395 14.796 1.00 0.00 O ATOM 254 CB HIS A 18 66.898 -2.280 16.140 1.00 0.00 C ATOM 255 CG HIS A 18 68.083 -2.183 15.214 1.00 0.00 C ATOM 256 ND1 HIS A 18 69.099 -3.116 15.252 1.00 0.00 N ATOM 257 CD2 HIS A 18 68.434 -1.278 14.254 1.00 0.00 C ATOM 258 CE1 HIS A 18 70.010 -2.746 14.337 1.00 0.00 C ATOM 259 NE2 HIS A 18 69.651 -1.618 13.689 1.00 0.00 N ATOM 0 H HIS A 18 66.082 -1.817 18.445 1.00 0.00 H new ATOM 0 HA HIS A 18 67.194 -0.141 16.501 1.00 0.00 H new ATOM 0 HB2 HIS A 18 67.170 -2.863 17.020 1.00 0.00 H new ATOM 0 HB3 HIS A 18 66.089 -2.814 15.641 1.00 0.00 H new ATOM 0 HD2 HIS A 18 67.845 -0.417 13.975 1.00 0.00 H new ATOM 0 HE1 HIS A 18 70.924 -3.288 14.142 1.00 0.00 H new ATOM 0 HE2 HIS A 18 70.159 -1.129 12.952 1.00 0.00 H new ATOM 266 N ILE A 19 64.098 -1.144 15.792 1.00 0.00 N ATOM 267 CA ILE A 19 62.924 -0.915 14.944 1.00 0.00 C ATOM 268 C ILE A 19 61.941 -0.020 15.667 1.00 0.00 C ATOM 269 O ILE A 19 61.295 -0.457 16.616 1.00 0.00 O ATOM 270 CB ILE A 19 62.247 -2.288 14.629 1.00 0.00 C ATOM 271 CG1 ILE A 19 63.150 -3.125 13.684 1.00 0.00 C ATOM 272 CG2 ILE A 19 60.862 -2.101 13.950 1.00 0.00 C ATOM 273 CD1 ILE A 19 62.925 -4.634 13.895 1.00 0.00 C ATOM 0 H ILE A 19 63.954 -1.860 16.504 1.00 0.00 H new ATOM 0 HA ILE A 19 63.230 -0.433 14.015 1.00 0.00 H new ATOM 0 HB ILE A 19 62.108 -2.805 15.579 1.00 0.00 H new ATOM 0 HG12 ILE A 19 62.937 -2.864 12.647 1.00 0.00 H new ATOM 0 HG13 ILE A 19 64.197 -2.881 13.866 1.00 0.00 H new ATOM 0 HG21 ILE A 19 60.422 -3.077 13.746 1.00 0.00 H new ATOM 0 HG22 ILE A 19 60.205 -1.538 14.613 1.00 0.00 H new ATOM 0 HG23 ILE A 19 60.986 -1.556 13.014 1.00 0.00 H new ATOM 0 HD11 ILE A 19 63.570 -5.196 13.220 1.00 0.00 H new ATOM 0 HD12 ILE A 19 63.162 -4.897 14.926 1.00 0.00 H new ATOM 0 HD13 ILE A 19 61.883 -4.879 13.688 1.00 0.00 H new ATOM 285 N CYS A 20 61.795 1.205 15.185 1.00 0.00 N ATOM 286 CA CYS A 20 60.835 2.121 15.780 1.00 0.00 C ATOM 287 C CYS A 20 59.435 1.657 15.373 1.00 0.00 C ATOM 288 O CYS A 20 59.231 1.141 14.279 1.00 0.00 O ATOM 289 CB CYS A 20 61.115 3.558 15.332 1.00 0.00 C ATOM 290 SG CYS A 20 59.669 4.586 15.651 1.00 0.00 S ATOM 0 H CYS A 20 62.320 1.583 14.396 1.00 0.00 H new ATOM 0 HA CYS A 20 60.916 2.115 16.867 1.00 0.00 H new ATOM 0 HB2 CYS A 20 61.979 3.954 15.865 1.00 0.00 H new ATOM 0 HB3 CYS A 20 61.360 3.577 14.270 1.00 0.00 H new ATOM 0 HG CYS A 20 59.827 5.745 15.084 1.00 0.00 H new ATOM 295 N ALA A 21 58.481 1.786 16.269 1.00 0.00 N ATOM 296 CA ALA A 21 57.127 1.317 15.995 1.00 0.00 C ATOM 297 C ALA A 21 56.458 2.098 14.872 1.00 0.00 C ATOM 298 O ALA A 21 55.407 1.673 14.382 1.00 0.00 O ATOM 299 CB ALA A 21 56.281 1.462 17.260 1.00 0.00 C ATOM 0 H ALA A 21 58.609 2.208 17.189 1.00 0.00 H new ATOM 0 HA ALA A 21 57.199 0.275 15.683 1.00 0.00 H new ATOM 0 HB1 ALA A 21 55.268 1.113 17.062 1.00 0.00 H new ATOM 0 HB2 ALA A 21 56.719 0.867 18.061 1.00 0.00 H new ATOM 0 HB3 ALA A 21 56.252 2.509 17.560 1.00 0.00 H new ATOM 305 N ILE A 22 57.052 3.253 14.524 1.00 0.00 N ATOM 306 CA ILE A 22 56.507 4.171 13.506 1.00 0.00 C ATOM 307 C ILE A 22 57.426 4.272 12.270 1.00 0.00 C ATOM 308 O ILE A 22 57.064 3.832 11.180 1.00 0.00 O ATOM 309 CB ILE A 22 56.313 5.598 14.151 1.00 0.00 C ATOM 310 CG1 ILE A 22 55.264 5.546 15.307 1.00 0.00 C ATOM 311 CG2 ILE A 22 55.815 6.641 13.103 1.00 0.00 C ATOM 312 CD1 ILE A 22 55.542 6.638 16.361 1.00 0.00 C ATOM 0 H ILE A 22 57.925 3.577 14.941 1.00 0.00 H new ATOM 0 HA ILE A 22 55.549 3.776 13.167 1.00 0.00 H new ATOM 0 HB ILE A 22 57.288 5.900 14.533 1.00 0.00 H new ATOM 0 HG12 ILE A 22 54.262 5.677 14.899 1.00 0.00 H new ATOM 0 HG13 ILE A 22 55.289 4.565 15.781 1.00 0.00 H new ATOM 0 HG21 ILE A 22 55.693 7.611 13.585 1.00 0.00 H new ATOM 0 HG22 ILE A 22 56.545 6.725 12.298 1.00 0.00 H new ATOM 0 HG23 ILE A 22 54.858 6.317 12.693 1.00 0.00 H new ATOM 0 HD11 ILE A 22 54.796 6.577 17.153 1.00 0.00 H new ATOM 0 HD12 ILE A 22 56.535 6.490 16.785 1.00 0.00 H new ATOM 0 HD13 ILE A 22 55.492 7.620 15.890 1.00 0.00 H new ATOM 324 N CYS A 23 58.577 4.926 12.454 1.00 0.00 N ATOM 325 CA CYS A 23 59.527 5.191 11.366 1.00 0.00 C ATOM 326 C CYS A 23 60.417 3.999 11.032 1.00 0.00 C ATOM 327 O CYS A 23 61.013 3.942 9.954 1.00 0.00 O ATOM 328 CB CYS A 23 60.407 6.382 11.767 1.00 0.00 C ATOM 329 SG CYS A 23 59.522 7.419 12.968 1.00 0.00 S ATOM 0 H CYS A 23 58.877 5.287 13.360 1.00 0.00 H new ATOM 0 HA CYS A 23 58.943 5.404 10.470 1.00 0.00 H new ATOM 0 HB2 CYS A 23 61.343 6.026 12.199 1.00 0.00 H new ATOM 0 HB3 CYS A 23 60.665 6.969 10.886 1.00 0.00 H new ATOM 0 HG CYS A 23 59.723 8.673 12.690 1.00 0.00 H new ATOM 334 N GLY A 24 60.522 3.075 11.965 1.00 0.00 N ATOM 335 CA GLY A 24 61.359 1.889 11.788 1.00 0.00 C ATOM 336 C GLY A 24 62.853 2.170 11.965 1.00 0.00 C ATOM 337 O GLY A 24 63.631 1.218 11.995 1.00 0.00 O ATOM 0 H GLY A 24 60.038 3.116 12.862 1.00 0.00 H new ATOM 0 HA2 GLY A 24 61.053 1.127 12.504 1.00 0.00 H new ATOM 0 HA3 GLY A 24 61.189 1.478 10.793 1.00 0.00 H new ATOM 341 N ASN A 25 63.239 3.464 12.046 1.00 0.00 N ATOM 342 CA ASN A 25 64.681 3.819 12.169 1.00 0.00 C ATOM 343 C ASN A 25 64.972 5.176 12.831 1.00 0.00 C ATOM 344 O ASN A 25 66.107 5.645 12.793 1.00 0.00 O ATOM 345 CB ASN A 25 65.315 3.781 10.755 1.00 0.00 C ATOM 346 CG ASN A 25 65.704 2.361 10.384 1.00 0.00 C ATOM 347 OD1 ASN A 25 66.607 1.783 10.991 1.00 0.00 O ATOM 348 ND2 ASN A 25 65.061 1.747 9.428 1.00 0.00 N ATOM 0 H ASN A 25 62.601 4.259 12.030 1.00 0.00 H new ATOM 0 HA ASN A 25 65.121 3.081 12.840 1.00 0.00 H new ATOM 0 HB2 ASN A 25 64.609 4.174 10.023 1.00 0.00 H new ATOM 0 HB3 ASN A 25 66.195 4.424 10.727 1.00 0.00 H new ATOM 0 HD21 ASN A 25 65.306 0.788 9.183 1.00 0.00 H new ATOM 0 HD22 ASN A 25 64.314 2.227 8.926 1.00 0.00 H new ATOM 355 N ASN A 26 64.001 5.756 13.510 1.00 0.00 N ATOM 356 CA ASN A 26 64.245 7.017 14.234 1.00 0.00 C ATOM 357 C ASN A 26 64.858 6.720 15.590 1.00 0.00 C ATOM 358 O ASN A 26 65.747 7.434 16.057 1.00 0.00 O ATOM 359 CB ASN A 26 62.946 7.778 14.408 1.00 0.00 C ATOM 360 CG ASN A 26 62.776 8.823 13.301 1.00 0.00 C ATOM 361 OD1 ASN A 26 63.132 8.581 12.151 1.00 0.00 O ATOM 362 ND2 ASN A 26 62.282 9.994 13.602 1.00 0.00 N ATOM 0 H ASN A 26 63.050 5.394 13.584 1.00 0.00 H new ATOM 0 HA ASN A 26 64.936 7.630 13.656 1.00 0.00 H new ATOM 0 HB2 ASN A 26 62.107 7.083 14.390 1.00 0.00 H new ATOM 0 HB3 ASN A 26 62.934 8.268 15.382 1.00 0.00 H new ATOM 0 HD21 ASN A 26 62.191 10.710 12.881 1.00 0.00 H new ATOM 0 HD22 ASN A 26 61.987 10.193 14.558 1.00 0.00 H new ATOM 369 N ALA A 27 64.359 5.661 16.211 1.00 0.00 N ATOM 370 CA ALA A 27 64.820 5.245 17.520 1.00 0.00 C ATOM 371 C ALA A 27 66.319 4.990 17.490 1.00 0.00 C ATOM 372 O ALA A 27 67.009 5.165 18.494 1.00 0.00 O ATOM 373 CB ALA A 27 64.076 3.980 17.942 1.00 0.00 C ATOM 0 H ALA A 27 63.625 5.070 15.820 1.00 0.00 H new ATOM 0 HA ALA A 27 64.619 6.036 18.242 1.00 0.00 H new ATOM 0 HB1 ALA A 27 64.422 3.666 18.927 1.00 0.00 H new ATOM 0 HB2 ALA A 27 63.006 4.183 17.981 1.00 0.00 H new ATOM 0 HB3 ALA A 27 64.268 3.187 17.220 1.00 0.00 H new ATOM 379 N GLU A 28 66.820 4.583 16.329 1.00 0.00 N ATOM 380 CA GLU A 28 68.227 4.313 16.167 1.00 0.00 C ATOM 381 C GLU A 28 69.042 5.605 16.333 1.00 0.00 C ATOM 382 O GLU A 28 70.154 5.556 16.864 1.00 0.00 O ATOM 383 CB GLU A 28 68.437 3.676 14.775 1.00 0.00 C ATOM 384 CG GLU A 28 69.921 3.452 14.466 1.00 0.00 C ATOM 385 CD GLU A 28 70.079 2.296 13.468 1.00 0.00 C ATOM 386 OE1 GLU A 28 69.951 1.155 13.880 1.00 0.00 O ATOM 387 OE2 GLU A 28 70.323 2.574 12.305 1.00 0.00 O ATOM 0 H GLU A 28 66.262 4.435 15.488 1.00 0.00 H new ATOM 0 HA GLU A 28 68.575 3.620 16.933 1.00 0.00 H new ATOM 0 HB2 GLU A 28 67.909 2.724 14.728 1.00 0.00 H new ATOM 0 HB3 GLU A 28 68.001 4.320 14.012 1.00 0.00 H new ATOM 0 HG2 GLU A 28 70.357 4.362 14.054 1.00 0.00 H new ATOM 0 HG3 GLU A 28 70.463 3.227 15.385 1.00 0.00 H new ATOM 394 N ASP A 29 68.468 6.742 15.865 1.00 0.00 N ATOM 395 CA ASP A 29 69.112 8.072 15.940 1.00 0.00 C ATOM 396 C ASP A 29 68.179 9.135 16.580 1.00 0.00 C ATOM 397 O ASP A 29 67.901 9.047 17.779 1.00 0.00 O ATOM 398 CB ASP A 29 69.570 8.483 14.534 1.00 0.00 C ATOM 399 CG ASP A 29 68.433 8.321 13.533 1.00 0.00 C ATOM 400 OD1 ASP A 29 68.172 7.192 13.152 1.00 0.00 O ATOM 401 OD2 ASP A 29 67.838 9.322 13.162 1.00 0.00 O ATOM 0 H ASP A 29 67.547 6.760 15.426 1.00 0.00 H new ATOM 0 HA ASP A 29 69.982 8.009 16.594 1.00 0.00 H new ATOM 0 HB2 ASP A 29 69.909 9.519 14.544 1.00 0.00 H new ATOM 0 HB3 ASP A 29 70.420 7.873 14.229 1.00 0.00 H new ATOM 406 N TYR A 30 67.731 10.145 15.792 1.00 0.00 N ATOM 407 CA TYR A 30 66.876 11.235 16.287 1.00 0.00 C ATOM 408 C TYR A 30 65.394 10.873 16.179 1.00 0.00 C ATOM 409 O TYR A 30 65.053 9.888 15.531 1.00 0.00 O ATOM 410 CB TYR A 30 67.157 12.496 15.473 1.00 0.00 C ATOM 411 CG TYR A 30 68.633 12.890 15.642 1.00 0.00 C ATOM 412 CD1 TYR A 30 69.027 13.596 16.785 1.00 0.00 C ATOM 413 CD2 TYR A 30 69.574 12.554 14.666 1.00 0.00 C ATOM 414 CE1 TYR A 30 70.369 13.964 16.950 1.00 0.00 C ATOM 415 CE2 TYR A 30 70.914 12.918 14.831 1.00 0.00 C ATOM 416 CZ TYR A 30 71.313 13.625 15.973 1.00 0.00 C ATOM 417 OH TYR A 30 72.635 13.985 16.135 1.00 0.00 O ATOM 0 H TYR A 30 67.956 10.220 14.800 1.00 0.00 H new ATOM 0 HA TYR A 30 67.104 11.405 17.339 1.00 0.00 H new ATOM 0 HB2 TYR A 30 66.933 12.321 14.421 1.00 0.00 H new ATOM 0 HB3 TYR A 30 66.511 13.309 15.805 1.00 0.00 H new ATOM 0 HD1 TYR A 30 68.298 13.856 17.538 1.00 0.00 H new ATOM 0 HD2 TYR A 30 69.266 12.013 13.783 1.00 0.00 H new ATOM 0 HE1 TYR A 30 70.675 14.509 17.831 1.00 0.00 H new ATOM 0 HE2 TYR A 30 71.642 12.654 14.078 1.00 0.00 H new ATOM 0 HH TYR A 30 73.156 13.671 15.366 1.00 0.00 H new ATOM 427 N LYS A 31 64.540 11.688 16.832 1.00 0.00 N ATOM 428 CA LYS A 31 63.085 11.478 16.849 1.00 0.00 C ATOM 429 C LYS A 31 62.363 12.707 16.313 1.00 0.00 C ATOM 430 O LYS A 31 61.635 13.378 17.053 1.00 0.00 O ATOM 431 CB LYS A 31 62.618 11.177 18.294 1.00 0.00 C ATOM 432 CG LYS A 31 63.243 9.848 18.813 1.00 0.00 C ATOM 433 CD LYS A 31 62.784 9.557 20.269 1.00 0.00 C ATOM 434 CE LYS A 31 63.378 8.230 20.786 1.00 0.00 C ATOM 435 NZ LYS A 31 64.865 8.321 20.848 1.00 0.00 N ATOM 0 H LYS A 31 64.843 12.507 17.360 1.00 0.00 H new ATOM 0 HA LYS A 31 62.845 10.629 16.209 1.00 0.00 H new ATOM 0 HB2 LYS A 31 62.902 11.999 18.951 1.00 0.00 H new ATOM 0 HB3 LYS A 31 61.531 11.108 18.322 1.00 0.00 H new ATOM 0 HG2 LYS A 31 62.950 9.024 18.162 1.00 0.00 H new ATOM 0 HG3 LYS A 31 64.330 9.913 18.775 1.00 0.00 H new ATOM 0 HD2 LYS A 31 63.092 10.375 20.921 1.00 0.00 H new ATOM 0 HD3 LYS A 31 61.696 9.511 20.308 1.00 0.00 H new ATOM 0 HE2 LYS A 31 62.979 8.005 21.775 1.00 0.00 H new ATOM 0 HE3 LYS A 31 63.084 7.411 20.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 65.239 7.520 21.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 65.255 8.294 19.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 65.139 9.213 21.307 1.00 0.00 H new ATOM 449 N HIS A 32 62.576 12.969 15.011 1.00 0.00 N ATOM 450 CA HIS A 32 61.949 14.106 14.318 1.00 0.00 C ATOM 451 C HIS A 32 60.783 13.657 13.450 1.00 0.00 C ATOM 452 O HIS A 32 59.786 14.374 13.344 1.00 0.00 O ATOM 453 CB HIS A 32 62.967 14.812 13.418 1.00 0.00 C ATOM 454 CG HIS A 32 63.967 15.573 14.250 1.00 0.00 C ATOM 455 ND1 HIS A 32 63.588 16.555 15.148 1.00 0.00 N ATOM 456 CD2 HIS A 32 65.337 15.496 14.336 1.00 0.00 C ATOM 457 CE1 HIS A 32 64.704 17.030 15.731 1.00 0.00 C ATOM 458 NE2 HIS A 32 65.800 16.419 15.275 1.00 0.00 N ATOM 0 H HIS A 32 63.182 12.404 14.416 1.00 0.00 H new ATOM 0 HA HIS A 32 61.585 14.786 15.088 1.00 0.00 H new ATOM 0 HB2 HIS A 32 63.483 14.079 12.798 1.00 0.00 H new ATOM 0 HB3 HIS A 32 62.452 15.495 12.742 1.00 0.00 H new ATOM 0 HD2 HIS A 32 65.960 14.824 13.764 1.00 0.00 H new ATOM 0 HE1 HIS A 32 64.712 17.811 16.477 1.00 0.00 H new ATOM 0 HE2 HIS A 32 66.766 16.590 15.553 1.00 0.00 H new ATOM 466 N THR A 33 60.921 12.480 12.832 1.00 0.00 N ATOM 467 CA THR A 33 59.871 11.946 11.958 1.00 0.00 C ATOM 468 C THR A 33 58.820 11.211 12.781 1.00 0.00 C ATOM 469 O THR A 33 57.782 10.810 12.254 1.00 0.00 O ATOM 470 CB THR A 33 60.465 11.009 10.895 1.00 0.00 C ATOM 471 OG1 THR A 33 60.687 9.731 11.452 1.00 0.00 O ATOM 472 CG2 THR A 33 61.791 11.572 10.363 1.00 0.00 C ATOM 0 H THR A 33 61.743 11.882 12.919 1.00 0.00 H new ATOM 0 HA THR A 33 59.396 12.784 11.447 1.00 0.00 H new ATOM 0 HB THR A 33 59.758 10.930 10.070 1.00 0.00 H new ATOM 0 HG1 THR A 33 61.065 9.138 10.769 1.00 0.00 H new ATOM 0 HG21 THR A 33 62.198 10.896 9.611 1.00 0.00 H new ATOM 0 HG22 THR A 33 61.617 12.550 9.915 1.00 0.00 H new ATOM 0 HG23 THR A 33 62.500 11.670 11.185 1.00 0.00 H new ATOM 480 N ASP A 34 59.076 11.060 14.082 1.00 0.00 N ATOM 481 CA ASP A 34 58.110 10.395 14.962 1.00 0.00 C ATOM 482 C ASP A 34 56.802 11.174 15.002 1.00 0.00 C ATOM 483 O ASP A 34 55.725 10.597 15.157 1.00 0.00 O ATOM 484 CB ASP A 34 58.653 10.265 16.397 1.00 0.00 C ATOM 485 CG ASP A 34 59.472 8.987 16.561 1.00 0.00 C ATOM 486 OD1 ASP A 34 58.907 7.925 16.392 1.00 0.00 O ATOM 487 OD2 ASP A 34 60.652 9.088 16.834 1.00 0.00 O ATOM 0 H ASP A 34 59.927 11.382 14.544 1.00 0.00 H new ATOM 0 HA ASP A 34 57.937 9.398 14.557 1.00 0.00 H new ATOM 0 HB2 ASP A 34 59.272 11.130 16.635 1.00 0.00 H new ATOM 0 HB3 ASP A 34 57.824 10.262 17.104 1.00 0.00 H new ATOM 492 N MET A 35 56.908 12.486 14.870 1.00 0.00 N ATOM 493 CA MET A 35 55.730 13.349 14.904 1.00 0.00 C ATOM 494 C MET A 35 54.808 13.047 13.725 1.00 0.00 C ATOM 495 O MET A 35 53.587 13.016 13.883 1.00 0.00 O ATOM 496 CB MET A 35 56.157 14.825 14.844 1.00 0.00 C ATOM 497 CG MET A 35 56.706 15.296 16.199 1.00 0.00 C ATOM 498 SD MET A 35 55.339 15.755 17.307 1.00 0.00 S ATOM 499 CE MET A 35 55.272 17.532 16.951 1.00 0.00 C ATOM 0 H MET A 35 57.791 12.979 14.739 1.00 0.00 H new ATOM 0 HA MET A 35 55.195 13.158 15.834 1.00 0.00 H new ATOM 0 HB2 MET A 35 56.918 14.956 14.074 1.00 0.00 H new ATOM 0 HB3 MET A 35 55.305 15.442 14.559 1.00 0.00 H new ATOM 0 HG2 MET A 35 57.301 14.504 16.653 1.00 0.00 H new ATOM 0 HG3 MET A 35 57.368 16.149 16.054 1.00 0.00 H new ATOM 0 HE1 MET A 35 54.483 17.993 17.545 1.00 0.00 H new ATOM 0 HE2 MET A 35 56.229 17.990 17.202 1.00 0.00 H new ATOM 0 HE3 MET A 35 55.064 17.683 15.892 1.00 0.00 H new ATOM 509 N ASP A 36 55.408 12.834 12.551 1.00 0.00 N ATOM 510 CA ASP A 36 54.651 12.543 11.332 1.00 0.00 C ATOM 511 C ASP A 36 54.269 11.065 11.256 1.00 0.00 C ATOM 512 O ASP A 36 55.135 10.197 11.115 1.00 0.00 O ATOM 513 CB ASP A 36 55.493 12.923 10.109 1.00 0.00 C ATOM 514 CG ASP A 36 54.640 12.863 8.847 1.00 0.00 C ATOM 515 OD1 ASP A 36 53.801 13.736 8.682 1.00 0.00 O ATOM 516 OD2 ASP A 36 54.843 11.955 8.061 1.00 0.00 O ATOM 0 H ASP A 36 56.419 12.858 12.419 1.00 0.00 H new ATOM 0 HA ASP A 36 53.732 13.129 11.349 1.00 0.00 H new ATOM 0 HB2 ASP A 36 55.900 13.926 10.235 1.00 0.00 H new ATOM 0 HB3 ASP A 36 56.341 12.245 10.017 1.00 0.00 H new ATOM 521 N LEU A 37 52.960 10.800 11.346 1.00 0.00 N ATOM 522 CA LEU A 37 52.431 9.433 11.281 1.00 0.00 C ATOM 523 C LEU A 37 52.226 9.043 9.823 1.00 0.00 C ATOM 524 O LEU A 37 51.632 9.800 9.052 1.00 0.00 O ATOM 525 CB LEU A 37 51.075 9.343 12.018 1.00 0.00 C ATOM 526 CG LEU A 37 51.213 9.616 13.554 1.00 0.00 C ATOM 527 CD1 LEU A 37 49.823 9.783 14.188 1.00 0.00 C ATOM 528 CD2 LEU A 37 51.959 8.490 14.317 1.00 0.00 C ATOM 0 H LEU A 37 52.245 11.518 11.465 1.00 0.00 H new ATOM 0 HA LEU A 37 53.142 8.758 11.758 1.00 0.00 H new ATOM 0 HB2 LEU A 37 50.380 10.062 11.585 1.00 0.00 H new ATOM 0 HB3 LEU A 37 50.646 8.353 11.864 1.00 0.00 H new ATOM 0 HG LEU A 37 51.803 10.528 13.642 1.00 0.00 H new ATOM 0 HD11 LEU A 37 49.931 9.972 15.256 1.00 0.00 H new ATOM 0 HD12 LEU A 37 49.308 10.623 13.721 1.00 0.00 H new ATOM 0 HD13 LEU A 37 49.243 8.873 14.038 1.00 0.00 H new ATOM 0 HD21 LEU A 37 52.018 8.745 15.375 1.00 0.00 H new ATOM 0 HD22 LEU A 37 51.418 7.551 14.200 1.00 0.00 H new ATOM 0 HD23 LEU A 37 52.966 8.382 13.913 1.00 0.00 H new ATOM 540 N THR A 38 52.735 7.864 9.456 1.00 0.00 N ATOM 541 CA THR A 38 52.624 7.355 8.084 1.00 0.00 C ATOM 542 C THR A 38 52.744 5.833 8.067 1.00 0.00 C ATOM 543 O THR A 38 53.339 5.245 8.973 1.00 0.00 O ATOM 544 CB THR A 38 53.701 7.988 7.177 1.00 0.00 C ATOM 545 OG1 THR A 38 53.450 7.620 5.826 1.00 0.00 O ATOM 546 CG2 THR A 38 55.117 7.520 7.567 1.00 0.00 C ATOM 0 H THR A 38 53.231 7.240 10.093 1.00 0.00 H new ATOM 0 HA THR A 38 51.643 7.631 7.697 1.00 0.00 H new ATOM 0 HB THR A 38 53.651 9.070 7.299 1.00 0.00 H new ATOM 0 HG1 THR A 38 54.130 8.021 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 38 55.849 7.986 6.907 1.00 0.00 H new ATOM 0 HG22 THR A 38 55.324 7.807 8.598 1.00 0.00 H new ATOM 0 HG23 THR A 38 55.181 6.436 7.472 1.00 0.00 H new ATOM 554 N TYR A 39 52.172 5.210 7.033 1.00 0.00 N ATOM 555 CA TYR A 39 52.209 3.751 6.884 1.00 0.00 C ATOM 556 C TYR A 39 51.968 3.363 5.426 1.00 0.00 C ATOM 557 O TYR A 39 50.910 3.654 4.865 1.00 0.00 O ATOM 558 CB TYR A 39 51.138 3.104 7.775 1.00 0.00 C ATOM 559 CG TYR A 39 51.218 1.576 7.658 1.00 0.00 C ATOM 560 CD1 TYR A 39 52.155 0.873 8.430 1.00 0.00 C ATOM 561 CD2 TYR A 39 50.366 0.880 6.791 1.00 0.00 C ATOM 562 CE1 TYR A 39 52.233 -0.518 8.337 1.00 0.00 C ATOM 563 CE2 TYR A 39 50.446 -0.511 6.701 1.00 0.00 C ATOM 564 CZ TYR A 39 51.381 -1.212 7.471 1.00 0.00 C ATOM 565 OH TYR A 39 51.460 -2.589 7.379 1.00 0.00 O ATOM 0 H TYR A 39 51.676 5.694 6.284 1.00 0.00 H new ATOM 0 HA TYR A 39 53.193 3.394 7.189 1.00 0.00 H new ATOM 0 HB2 TYR A 39 51.283 3.407 8.812 1.00 0.00 H new ATOM 0 HB3 TYR A 39 50.148 3.449 7.478 1.00 0.00 H new ATOM 0 HD1 TYR A 39 52.816 1.408 9.096 1.00 0.00 H new ATOM 0 HD2 TYR A 39 49.647 1.419 6.192 1.00 0.00 H new ATOM 0 HE1 TYR A 39 52.952 -1.059 8.934 1.00 0.00 H new ATOM 0 HE2 TYR A 39 49.785 -1.047 6.036 1.00 0.00 H new ATOM 0 HH TYR A 39 50.798 -2.912 6.733 1.00 0.00 H new ATOM 575 N THR A 40 52.971 2.712 4.827 1.00 0.00 N ATOM 576 CA THR A 40 52.898 2.272 3.427 1.00 0.00 C ATOM 577 C THR A 40 53.875 1.123 3.177 1.00 0.00 C ATOM 578 O THR A 40 54.896 1.016 3.858 1.00 0.00 O ATOM 579 CB THR A 40 53.202 3.445 2.468 1.00 0.00 C ATOM 580 OG1 THR A 40 52.955 3.025 1.133 1.00 0.00 O ATOM 581 CG2 THR A 40 54.669 3.903 2.580 1.00 0.00 C ATOM 0 H THR A 40 53.848 2.477 5.292 1.00 0.00 H new ATOM 0 HA THR A 40 51.884 1.921 3.234 1.00 0.00 H new ATOM 0 HB THR A 40 52.559 4.282 2.740 1.00 0.00 H new ATOM 0 HG1 THR A 40 53.144 3.764 0.517 1.00 0.00 H new ATOM 0 HG21 THR A 40 54.846 4.729 1.891 1.00 0.00 H new ATOM 0 HG22 THR A 40 54.871 4.231 3.600 1.00 0.00 H new ATOM 0 HG23 THR A 40 55.329 3.073 2.328 1.00 0.00 H new ATOM 589 N ASP A 41 53.551 0.278 2.187 1.00 0.00 N ATOM 590 CA ASP A 41 54.402 -0.862 1.831 1.00 0.00 C ATOM 591 C ASP A 41 55.551 -0.389 0.943 1.00 0.00 C ATOM 592 O ASP A 41 55.327 0.160 -0.137 1.00 0.00 O ATOM 593 CB ASP A 41 53.570 -1.933 1.096 1.00 0.00 C ATOM 594 CG ASP A 41 54.315 -3.276 1.056 1.00 0.00 C ATOM 595 OD1 ASP A 41 55.528 -3.265 1.144 1.00 0.00 O ATOM 596 OD2 ASP A 41 53.646 -4.295 0.945 1.00 0.00 O ATOM 0 H ASP A 41 52.707 0.364 1.621 1.00 0.00 H new ATOM 0 HA ASP A 41 54.812 -1.300 2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 41 52.610 -2.060 1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 41 53.358 -1.600 0.080 1.00 0.00 H new ATOM 601 N ARG A 42 56.777 -0.605 1.410 1.00 0.00 N ATOM 602 CA ARG A 42 57.961 -0.195 0.659 1.00 0.00 C ATOM 603 C ARG A 42 58.150 -1.110 -0.548 1.00 0.00 C ATOM 604 O ARG A 42 57.988 -2.327 -0.447 1.00 0.00 O ATOM 605 CB ARG A 42 59.214 -0.262 1.555 1.00 0.00 C ATOM 606 CG ARG A 42 59.132 0.778 2.709 1.00 0.00 C ATOM 607 CD ARG A 42 60.376 0.688 3.624 1.00 0.00 C ATOM 608 NE ARG A 42 60.276 1.653 4.727 1.00 0.00 N ATOM 609 CZ ARG A 42 60.493 2.952 4.583 1.00 0.00 C ATOM 610 NH1 ARG A 42 60.822 3.434 3.416 1.00 0.00 N ATOM 611 NH2 ARG A 42 60.376 3.751 5.607 1.00 0.00 N ATOM 0 H ARG A 42 56.977 -1.060 2.301 1.00 0.00 H new ATOM 0 HA ARG A 42 57.821 0.832 0.321 1.00 0.00 H new ATOM 0 HB2 ARG A 42 59.315 -1.264 1.971 1.00 0.00 H new ATOM 0 HB3 ARG A 42 60.105 -0.075 0.955 1.00 0.00 H new ATOM 0 HG2 ARG A 42 59.053 1.783 2.293 1.00 0.00 H new ATOM 0 HG3 ARG A 42 58.230 0.605 3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 42 60.468 -0.322 4.024 1.00 0.00 H new ATOM 0 HD3 ARG A 42 61.277 0.884 3.043 1.00 0.00 H new ATOM 0 HE ARG A 42 60.026 1.305 5.653 1.00 0.00 H new ATOM 0 HH11 ARG A 42 60.912 2.811 2.614 1.00 0.00 H new ATOM 0 HH12 ARG A 42 60.989 4.434 3.306 1.00 0.00 H new ATOM 0 HH21 ARG A 42 60.117 3.376 6.520 1.00 0.00 H new ATOM 0 HH22 ARG A 42 60.543 4.751 5.495 1.00 0.00 H new ATOM 625 N ASP A 43 58.488 -0.512 -1.688 1.00 0.00 N ATOM 626 CA ASP A 43 58.689 -1.276 -2.915 1.00 0.00 C ATOM 627 C ASP A 43 59.970 -2.099 -2.839 1.00 0.00 C ATOM 628 O ASP A 43 60.984 -1.642 -2.310 1.00 0.00 O ATOM 629 CB ASP A 43 58.764 -0.321 -4.113 1.00 0.00 C ATOM 630 CG ASP A 43 57.419 0.372 -4.325 1.00 0.00 C ATOM 631 OD1 ASP A 43 56.441 -0.327 -4.553 1.00 0.00 O ATOM 632 OD2 ASP A 43 57.386 1.589 -4.252 1.00 0.00 O ATOM 0 H ASP A 43 58.628 0.494 -1.787 1.00 0.00 H new ATOM 0 HA ASP A 43 57.846 -1.956 -3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 43 59.542 0.424 -3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 43 59.041 -0.874 -5.011 1.00 0.00 H new ATOM 637 N TYR A 44 59.914 -3.315 -3.377 1.00 0.00 N ATOM 638 CA TYR A 44 61.075 -4.197 -3.373 1.00 0.00 C ATOM 639 C TYR A 44 62.215 -3.572 -4.170 1.00 0.00 C ATOM 640 O TYR A 44 63.372 -3.599 -3.745 1.00 0.00 O ATOM 641 CB TYR A 44 60.711 -5.553 -3.986 1.00 0.00 C ATOM 642 CG TYR A 44 59.657 -6.246 -3.112 1.00 0.00 C ATOM 643 CD1 TYR A 44 58.298 -5.987 -3.327 1.00 0.00 C ATOM 644 CD2 TYR A 44 60.047 -7.141 -2.107 1.00 0.00 C ATOM 645 CE1 TYR A 44 57.328 -6.619 -2.536 1.00 0.00 C ATOM 646 CE2 TYR A 44 59.080 -7.771 -1.319 1.00 0.00 C ATOM 647 CZ TYR A 44 57.718 -7.512 -1.533 1.00 0.00 C ATOM 648 OH TYR A 44 56.763 -8.135 -0.754 1.00 0.00 O ATOM 0 H TYR A 44 59.083 -3.709 -3.818 1.00 0.00 H new ATOM 0 HA TYR A 44 61.394 -4.342 -2.341 1.00 0.00 H new ATOM 0 HB2 TYR A 44 60.327 -5.415 -4.997 1.00 0.00 H new ATOM 0 HB3 TYR A 44 61.600 -6.178 -4.066 1.00 0.00 H new ATOM 0 HD1 TYR A 44 57.996 -5.299 -4.103 1.00 0.00 H new ATOM 0 HD2 TYR A 44 61.095 -7.344 -1.941 1.00 0.00 H new ATOM 0 HE1 TYR A 44 56.280 -6.416 -2.701 1.00 0.00 H new ATOM 0 HE2 TYR A 44 59.382 -8.459 -0.543 1.00 0.00 H new ATOM 0 HH TYR A 44 57.203 -8.724 -0.106 1.00 0.00 H new ATOM 658 N LYS A 45 61.880 -3.007 -5.326 1.00 0.00 N ATOM 659 CA LYS A 45 62.884 -2.375 -6.174 1.00 0.00 C ATOM 660 C LYS A 45 63.434 -1.131 -5.481 1.00 0.00 C ATOM 661 O LYS A 45 62.667 -0.336 -4.933 1.00 0.00 O ATOM 662 CB LYS A 45 62.260 -1.978 -7.532 1.00 0.00 C ATOM 663 CG LYS A 45 63.346 -1.818 -8.637 1.00 0.00 C ATOM 664 CD LYS A 45 62.696 -1.428 -9.995 1.00 0.00 C ATOM 665 CE LYS A 45 63.768 -1.251 -11.091 1.00 0.00 C ATOM 666 NZ LYS A 45 63.099 -0.873 -12.368 1.00 0.00 N ATOM 0 H LYS A 45 60.929 -2.974 -5.694 1.00 0.00 H new ATOM 0 HA LYS A 45 63.695 -3.082 -6.348 1.00 0.00 H new ATOM 0 HB2 LYS A 45 61.539 -2.736 -7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 45 61.712 -1.042 -7.422 1.00 0.00 H new ATOM 0 HG2 LYS A 45 64.065 -1.054 -8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 45 63.899 -2.751 -8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 45 61.986 -2.198 -10.297 1.00 0.00 H new ATOM 0 HD3 LYS A 45 62.132 -0.502 -9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 45 64.482 -0.481 -10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 45 64.331 -2.176 -11.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 63.815 -0.752 -13.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 62.434 -1.622 -12.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 62.581 0.019 -12.238 1.00 0.00 H new ATOM 680 N ASN A 46 64.764 -0.986 -5.514 1.00 0.00 N ATOM 681 CA ASN A 46 65.450 0.155 -4.895 1.00 0.00 C ATOM 682 C ASN A 46 66.753 0.448 -5.633 1.00 0.00 C ATOM 683 O ASN A 46 67.379 -0.455 -6.190 1.00 0.00 O ATOM 684 CB ASN A 46 65.748 -0.140 -3.419 1.00 0.00 C ATOM 685 CG ASN A 46 64.460 -0.088 -2.602 1.00 0.00 C ATOM 686 OD1 ASN A 46 63.834 0.967 -2.504 1.00 0.00 O ATOM 687 ND2 ASN A 46 64.020 -1.169 -2.015 1.00 0.00 N ATOM 0 H ASN A 46 65.391 -1.651 -5.967 1.00 0.00 H new ATOM 0 HA ASN A 46 64.799 1.027 -4.959 1.00 0.00 H new ATOM 0 HB2 ASN A 46 66.209 -1.123 -3.323 1.00 0.00 H new ATOM 0 HB3 ASN A 46 66.463 0.587 -3.032 1.00 0.00 H new ATOM 0 HD21 ASN A 46 63.156 -1.140 -1.474 1.00 0.00 H new ATOM 0 HD22 ASN A 46 64.541 -2.042 -2.098 1.00 0.00 H new ATOM 694 N CYS A 47 67.150 1.716 -5.635 1.00 0.00 N ATOM 695 CA CYS A 47 68.376 2.129 -6.311 1.00 0.00 C ATOM 696 C CYS A 47 69.608 1.497 -5.666 1.00 0.00 C ATOM 697 O CYS A 47 70.538 1.109 -6.378 1.00 0.00 O ATOM 698 CB CYS A 47 68.501 3.654 -6.275 1.00 0.00 C ATOM 699 SG CYS A 47 67.250 4.389 -7.359 1.00 0.00 S ATOM 0 H CYS A 47 66.643 2.474 -5.178 1.00 0.00 H new ATOM 0 HA CYS A 47 68.321 1.788 -7.345 1.00 0.00 H new ATOM 0 HB2 CYS A 47 68.372 4.016 -5.255 1.00 0.00 H new ATOM 0 HB3 CYS A 47 69.498 3.955 -6.596 1.00 0.00 H new ATOM 0 HG CYS A 47 67.355 5.684 -7.327 1.00 0.00 H new ATOM 705 N GLU A 48 69.597 1.414 -4.322 1.00 0.00 N ATOM 706 CA GLU A 48 70.712 0.838 -3.539 1.00 0.00 C ATOM 707 C GLU A 48 70.176 -0.159 -2.510 1.00 0.00 C ATOM 708 O GLU A 48 69.126 0.066 -1.905 1.00 0.00 O ATOM 709 CB GLU A 48 71.470 1.955 -2.793 1.00 0.00 C ATOM 710 CG GLU A 48 72.212 2.893 -3.771 1.00 0.00 C ATOM 711 CD GLU A 48 72.930 4.012 -3.009 1.00 0.00 C ATOM 712 OE1 GLU A 48 72.806 4.061 -1.796 1.00 0.00 O ATOM 713 OE2 GLU A 48 73.601 4.795 -3.660 1.00 0.00 O ATOM 0 H GLU A 48 68.820 1.742 -3.749 1.00 0.00 H new ATOM 0 HA GLU A 48 71.386 0.330 -4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 48 70.767 2.535 -2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 48 72.186 1.510 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 48 72.935 2.321 -4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 48 71.503 3.324 -4.478 1.00 0.00 H new ATOM 720 N SER A 49 70.914 -1.258 -2.318 1.00 0.00 N ATOM 721 CA SER A 49 70.528 -2.291 -1.360 1.00 0.00 C ATOM 722 C SER A 49 71.714 -3.203 -1.061 1.00 0.00 C ATOM 723 O SER A 49 72.615 -3.327 -1.893 1.00 0.00 O ATOM 724 CB SER A 49 69.380 -3.125 -1.931 1.00 0.00 C ATOM 725 OG SER A 49 69.747 -3.606 -3.215 1.00 0.00 O ATOM 0 H SER A 49 71.783 -1.452 -2.816 1.00 0.00 H new ATOM 0 HA SER A 49 70.206 -1.808 -0.437 1.00 0.00 H new ATOM 0 HB2 SER A 49 69.156 -3.960 -1.267 1.00 0.00 H new ATOM 0 HB3 SER A 49 68.475 -2.521 -2.001 1.00 0.00 H new ATOM 0 HG SER A 49 69.015 -4.143 -3.585 1.00 0.00 H new ATOM 731 N TYR A 50 71.686 -3.839 0.121 1.00 0.00 N ATOM 732 CA TYR A 50 72.733 -4.764 0.558 1.00 0.00 C ATOM 733 C TYR A 50 72.082 -5.950 1.266 1.00 0.00 C ATOM 734 O TYR A 50 71.106 -5.768 1.995 1.00 0.00 O ATOM 735 CB TYR A 50 73.702 -4.042 1.499 1.00 0.00 C ATOM 736 CG TYR A 50 74.797 -3.336 0.682 1.00 0.00 C ATOM 737 CD1 TYR A 50 75.929 -4.053 0.279 1.00 0.00 C ATOM 738 CD2 TYR A 50 74.671 -1.981 0.348 1.00 0.00 C ATOM 739 CE1 TYR A 50 76.934 -3.417 -0.457 1.00 0.00 C ATOM 740 CE2 TYR A 50 75.676 -1.346 -0.391 1.00 0.00 C ATOM 741 CZ TYR A 50 76.809 -2.064 -0.793 1.00 0.00 C ATOM 742 OH TYR A 50 77.801 -1.437 -1.521 1.00 0.00 O ATOM 0 H TYR A 50 70.933 -3.723 0.799 1.00 0.00 H new ATOM 0 HA TYR A 50 73.295 -5.125 -0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 50 73.161 -3.314 2.104 1.00 0.00 H new ATOM 0 HB3 TYR A 50 74.153 -4.756 2.188 1.00 0.00 H new ATOM 0 HD1 TYR A 50 76.027 -5.097 0.536 1.00 0.00 H new ATOM 0 HD2 TYR A 50 73.799 -1.427 0.661 1.00 0.00 H new ATOM 0 HE1 TYR A 50 77.808 -3.971 -0.767 1.00 0.00 H new ATOM 0 HE2 TYR A 50 75.578 -0.302 -0.651 1.00 0.00 H new ATOM 0 HH TYR A 50 77.556 -0.500 -1.669 1.00 0.00 H new ATOM 752 N HIS A 51 72.645 -7.150 1.043 1.00 0.00 N ATOM 753 CA HIS A 51 72.147 -8.395 1.650 1.00 0.00 C ATOM 754 C HIS A 51 73.008 -8.767 2.850 1.00 0.00 C ATOM 755 O HIS A 51 72.765 -9.770 3.522 1.00 0.00 O ATOM 756 CB HIS A 51 72.209 -9.528 0.618 1.00 0.00 C ATOM 757 CG HIS A 51 71.186 -9.288 -0.459 1.00 0.00 C ATOM 758 ND1 HIS A 51 71.447 -8.491 -1.565 1.00 0.00 N ATOM 759 CD2 HIS A 51 69.902 -9.743 -0.619 1.00 0.00 C ATOM 760 CE1 HIS A 51 70.343 -8.495 -2.334 1.00 0.00 C ATOM 761 NE2 HIS A 51 69.373 -9.243 -1.803 1.00 0.00 N ATOM 0 H HIS A 51 73.456 -7.283 0.439 1.00 0.00 H new ATOM 0 HA HIS A 51 71.117 -8.245 1.974 1.00 0.00 H new ATOM 0 HB2 HIS A 51 73.206 -9.581 0.181 1.00 0.00 H new ATOM 0 HB3 HIS A 51 72.023 -10.486 1.103 1.00 0.00 H new ATOM 0 HD2 HIS A 51 69.381 -10.391 0.070 1.00 0.00 H new ATOM 0 HE1 HIS A 51 70.253 -7.959 -3.267 1.00 0.00 H new ATOM 0 HE2 HIS A 51 68.442 -9.412 -2.185 1.00 0.00 H new ATOM 769 N LYS A 52 74.030 -7.958 3.098 1.00 0.00 N ATOM 770 CA LYS A 52 74.950 -8.211 4.203 1.00 0.00 C ATOM 771 C LYS A 52 74.237 -8.163 5.546 1.00 0.00 C ATOM 772 O LYS A 52 74.526 -8.992 6.411 1.00 0.00 O ATOM 773 CB LYS A 52 76.083 -7.171 4.207 1.00 0.00 C ATOM 774 CG LYS A 52 76.998 -7.339 2.966 1.00 0.00 C ATOM 775 CD LYS A 52 78.095 -6.243 2.941 1.00 0.00 C ATOM 776 CE LYS A 52 79.015 -6.418 1.720 1.00 0.00 C ATOM 777 NZ LYS A 52 80.036 -5.333 1.719 1.00 0.00 N ATOM 0 H LYS A 52 74.244 -7.123 2.552 1.00 0.00 H new ATOM 0 HA LYS A 52 75.361 -9.210 4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 52 75.659 -6.167 4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 52 76.675 -7.277 5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 52 77.462 -8.325 2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 52 76.400 -7.282 2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 52 77.630 -5.257 2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 52 78.685 -6.292 3.856 1.00 0.00 H new ATOM 0 HE2 LYS A 52 79.502 -7.393 1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 52 78.430 -6.385 0.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 80.661 -5.446 0.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 79.561 -4.409 1.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 80.599 -5.386 2.592 1.00 0.00 H new ATOM 791 N CYS A 53 73.314 -7.197 5.703 1.00 0.00 N ATOM 792 CA CYS A 53 72.547 -7.028 6.942 1.00 0.00 C ATOM 793 C CYS A 53 71.095 -7.439 6.748 1.00 0.00 C ATOM 794 O CYS A 53 70.672 -7.734 5.630 1.00 0.00 O ATOM 795 CB CYS A 53 72.600 -5.559 7.351 1.00 0.00 C ATOM 796 SG CYS A 53 74.330 -5.034 7.413 1.00 0.00 S ATOM 0 H CYS A 53 73.083 -6.518 4.978 1.00 0.00 H new ATOM 0 HA CYS A 53 72.982 -7.662 7.715 1.00 0.00 H new ATOM 0 HB2 CYS A 53 72.046 -4.948 6.638 1.00 0.00 H new ATOM 0 HB3 CYS A 53 72.128 -5.421 8.324 1.00 0.00 H new ATOM 0 HG CYS A 53 74.403 -3.837 7.916 1.00 0.00 H new ATOM 802 N SER A 54 70.345 -7.471 7.860 1.00 0.00 N ATOM 803 CA SER A 54 68.927 -7.856 7.837 1.00 0.00 C ATOM 804 C SER A 54 68.151 -6.990 6.848 1.00 0.00 C ATOM 805 O SER A 54 67.085 -7.382 6.374 1.00 0.00 O ATOM 806 CB SER A 54 68.323 -7.686 9.230 1.00 0.00 C ATOM 807 OG SER A 54 67.956 -6.325 9.420 1.00 0.00 O ATOM 0 H SER A 54 70.698 -7.234 8.787 1.00 0.00 H new ATOM 0 HA SER A 54 68.859 -8.899 7.527 1.00 0.00 H new ATOM 0 HB2 SER A 54 67.450 -8.329 9.341 1.00 0.00 H new ATOM 0 HB3 SER A 54 69.042 -7.990 9.990 1.00 0.00 H new ATOM 0 HG SER A 54 67.566 -6.213 10.312 1.00 0.00 H new ATOM 813 N ASP A 55 68.719 -5.810 6.539 1.00 0.00 N ATOM 814 CA ASP A 55 68.143 -4.835 5.598 1.00 0.00 C ATOM 815 C ASP A 55 66.938 -4.124 6.206 1.00 0.00 C ATOM 816 O ASP A 55 66.423 -3.166 5.630 1.00 0.00 O ATOM 817 CB ASP A 55 67.761 -5.499 4.264 1.00 0.00 C ATOM 818 CG ASP A 55 67.983 -4.533 3.105 1.00 0.00 C ATOM 819 OD1 ASP A 55 67.565 -3.399 3.205 1.00 0.00 O ATOM 820 OD2 ASP A 55 68.571 -4.965 2.124 1.00 0.00 O ATOM 0 H ASP A 55 69.604 -5.504 6.943 1.00 0.00 H new ATOM 0 HA ASP A 55 68.912 -4.089 5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 55 68.358 -6.399 4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 55 66.717 -5.810 4.291 1.00 0.00 H new ATOM 825 N LEU A 56 66.503 -4.580 7.377 1.00 0.00 N ATOM 826 CA LEU A 56 65.380 -3.964 8.054 1.00 0.00 C ATOM 827 C LEU A 56 65.784 -2.559 8.470 1.00 0.00 C ATOM 828 O LEU A 56 65.029 -1.608 8.259 1.00 0.00 O ATOM 829 CB LEU A 56 65.001 -4.771 9.314 1.00 0.00 C ATOM 830 CG LEU A 56 64.611 -6.252 8.983 1.00 0.00 C ATOM 831 CD1 LEU A 56 64.312 -7.034 10.276 1.00 0.00 C ATOM 832 CD2 LEU A 56 63.374 -6.360 8.065 1.00 0.00 C ATOM 0 H LEU A 56 66.914 -5.372 7.871 1.00 0.00 H new ATOM 0 HA LEU A 56 64.522 -3.938 7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 56 65.840 -4.766 10.010 1.00 0.00 H new ATOM 0 HB3 LEU A 56 64.166 -4.283 9.817 1.00 0.00 H new ATOM 0 HG LEU A 56 65.468 -6.674 8.459 1.00 0.00 H new ATOM 0 HD11 LEU A 56 64.043 -8.060 10.026 1.00 0.00 H new ATOM 0 HD12 LEU A 56 65.196 -7.035 10.913 1.00 0.00 H new ATOM 0 HD13 LEU A 56 63.485 -6.560 10.805 1.00 0.00 H new ATOM 0 HD21 LEU A 56 63.154 -7.410 7.872 1.00 0.00 H new ATOM 0 HD22 LEU A 56 62.518 -5.894 8.552 1.00 0.00 H new ATOM 0 HD23 LEU A 56 63.576 -5.853 7.122 1.00 0.00 H new ATOM 844 N CYS A 57 67.005 -2.448 9.027 1.00 0.00 N ATOM 845 CA CYS A 57 67.567 -1.167 9.455 1.00 0.00 C ATOM 846 C CYS A 57 68.348 -0.583 8.280 1.00 0.00 C ATOM 847 O CYS A 57 69.086 -1.304 7.605 1.00 0.00 O ATOM 848 CB CYS A 57 68.428 -1.394 10.704 1.00 0.00 C ATOM 849 SG CYS A 57 69.558 0.006 11.002 1.00 0.00 S ATOM 0 H CYS A 57 67.622 -3.244 9.189 1.00 0.00 H new ATOM 0 HA CYS A 57 66.796 -0.449 9.733 1.00 0.00 H new ATOM 0 HB2 CYS A 57 67.783 -1.533 11.571 1.00 0.00 H new ATOM 0 HB3 CYS A 57 69.006 -2.311 10.587 1.00 0.00 H new ATOM 0 HG CYS A 57 70.745 -0.446 11.281 1.00 0.00 H new ATOM 854 N GLN A 58 68.132 0.701 8.007 1.00 0.00 N ATOM 855 CA GLN A 58 68.759 1.371 6.860 1.00 0.00 C ATOM 856 C GLN A 58 70.236 1.716 7.065 1.00 0.00 C ATOM 857 O GLN A 58 71.030 1.636 6.128 1.00 0.00 O ATOM 858 CB GLN A 58 67.965 2.654 6.512 1.00 0.00 C ATOM 859 CG GLN A 58 68.108 3.735 7.612 1.00 0.00 C ATOM 860 CD GLN A 58 66.967 4.744 7.516 1.00 0.00 C ATOM 861 OE1 GLN A 58 65.798 4.388 7.648 1.00 0.00 O ATOM 862 NE2 GLN A 58 67.248 6.000 7.304 1.00 0.00 N ATOM 0 H GLN A 58 67.526 1.304 8.564 1.00 0.00 H new ATOM 0 HA GLN A 58 68.729 0.658 6.037 1.00 0.00 H new ATOM 0 HB2 GLN A 58 68.319 3.054 5.562 1.00 0.00 H new ATOM 0 HB3 GLN A 58 66.912 2.405 6.381 1.00 0.00 H new ATOM 0 HG2 GLN A 58 68.105 3.265 8.596 1.00 0.00 H new ATOM 0 HG3 GLN A 58 69.065 4.247 7.506 1.00 0.00 H new ATOM 0 HE21 GLN A 58 68.219 6.294 7.195 1.00 0.00 H new ATOM 0 HE22 GLN A 58 66.497 6.688 7.248 1.00 0.00 H new ATOM 871 N TYR A 59 70.583 2.148 8.268 1.00 0.00 N ATOM 872 CA TYR A 59 71.951 2.568 8.575 1.00 0.00 C ATOM 873 C TYR A 59 72.873 1.379 8.824 1.00 0.00 C ATOM 874 O TYR A 59 74.094 1.505 8.732 1.00 0.00 O ATOM 875 CB TYR A 59 71.922 3.485 9.793 1.00 0.00 C ATOM 876 CG TYR A 59 72.673 4.782 9.472 1.00 0.00 C ATOM 877 CD1 TYR A 59 72.003 5.831 8.837 1.00 0.00 C ATOM 878 CD2 TYR A 59 74.024 4.916 9.809 1.00 0.00 C ATOM 879 CE1 TYR A 59 72.687 7.020 8.537 1.00 0.00 C ATOM 880 CE2 TYR A 59 74.707 6.102 9.508 1.00 0.00 C ATOM 881 CZ TYR A 59 74.040 7.153 8.876 1.00 0.00 C ATOM 882 OH TYR A 59 74.712 8.320 8.580 1.00 0.00 O ATOM 0 H TYR A 59 69.936 2.219 9.054 1.00 0.00 H new ATOM 0 HA TYR A 59 72.351 3.101 7.713 1.00 0.00 H new ATOM 0 HB2 TYR A 59 70.892 3.708 10.070 1.00 0.00 H new ATOM 0 HB3 TYR A 59 72.381 2.988 10.647 1.00 0.00 H new ATOM 0 HD1 TYR A 59 70.960 5.727 8.577 1.00 0.00 H new ATOM 0 HD2 TYR A 59 74.541 4.105 10.301 1.00 0.00 H new ATOM 0 HE1 TYR A 59 72.171 7.831 8.045 1.00 0.00 H new ATOM 0 HE2 TYR A 59 75.751 6.203 9.765 1.00 0.00 H new ATOM 0 HH TYR A 59 75.641 8.248 8.883 1.00 0.00 H new ATOM 892 N CYS A 60 72.290 0.232 9.138 1.00 0.00 N ATOM 893 CA CYS A 60 73.068 -0.966 9.394 1.00 0.00 C ATOM 894 C CYS A 60 73.731 -1.481 8.121 1.00 0.00 C ATOM 895 O CYS A 60 74.755 -2.160 8.189 1.00 0.00 O ATOM 896 CB CYS A 60 72.161 -2.062 9.928 1.00 0.00 C ATOM 897 SG CYS A 60 72.085 -2.042 11.753 1.00 0.00 S ATOM 0 H CYS A 60 71.281 0.108 9.221 1.00 0.00 H new ATOM 0 HA CYS A 60 73.838 -0.709 10.121 1.00 0.00 H new ATOM 0 HB2 CYS A 60 71.158 -1.936 9.520 1.00 0.00 H new ATOM 0 HB3 CYS A 60 72.523 -3.032 9.589 1.00 0.00 H new ATOM 0 HG CYS A 60 72.192 -0.818 12.178 1.00 0.00 H new ATOM 902 N ARG A 61 73.106 -1.182 6.975 1.00 0.00 N ATOM 903 CA ARG A 61 73.590 -1.642 5.661 1.00 0.00 C ATOM 904 C ARG A 61 75.072 -1.332 5.459 1.00 0.00 C ATOM 905 O ARG A 61 75.794 -2.147 4.878 1.00 0.00 O ATOM 906 CB ARG A 61 72.803 -0.938 4.548 1.00 0.00 C ATOM 907 CG ARG A 61 71.375 -1.519 4.436 1.00 0.00 C ATOM 908 CD ARG A 61 70.490 -0.630 3.543 1.00 0.00 C ATOM 909 NE ARG A 61 71.125 -0.414 2.250 1.00 0.00 N ATOM 910 CZ ARG A 61 70.612 0.413 1.345 1.00 0.00 C ATOM 911 NH1 ARG A 61 69.501 1.048 1.600 1.00 0.00 N ATOM 912 NH2 ARG A 61 71.217 0.585 0.202 1.00 0.00 N ATOM 0 H ARG A 61 72.257 -0.619 6.929 1.00 0.00 H new ATOM 0 HA ARG A 61 73.447 -2.722 5.624 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.751 0.131 4.753 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.324 -1.055 3.598 1.00 0.00 H new ATOM 0 HG2 ARG A 61 71.419 -2.527 4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 61 70.932 -1.600 5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 61 69.516 -1.100 3.403 1.00 0.00 H new ATOM 0 HD3 ARG A 61 70.314 0.328 4.033 1.00 0.00 H new ATOM 0 HE ARG A 61 71.988 -0.912 2.033 1.00 0.00 H new ATOM 0 HH11 ARG A 61 69.028 0.909 2.493 1.00 0.00 H new ATOM 0 HH12 ARG A 61 69.106 1.683 0.907 1.00 0.00 H new ATOM 0 HH21 ARG A 61 72.083 0.085 0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 61 70.824 1.220 -0.493 1.00 0.00 H new ATOM 926 N TYR A 62 75.504 -0.167 5.947 1.00 0.00 N ATOM 927 CA TYR A 62 76.901 0.268 5.829 1.00 0.00 C ATOM 928 C TYR A 62 77.726 -0.168 7.035 1.00 0.00 C ATOM 929 O TYR A 62 78.784 -0.782 6.873 1.00 0.00 O ATOM 930 CB TYR A 62 76.958 1.795 5.723 1.00 0.00 C ATOM 931 CG TYR A 62 76.171 2.248 4.488 1.00 0.00 C ATOM 932 CD1 TYR A 62 76.771 2.172 3.227 1.00 0.00 C ATOM 933 CD2 TYR A 62 74.856 2.724 4.615 1.00 0.00 C ATOM 934 CE1 TYR A 62 76.062 2.573 2.089 1.00 0.00 C ATOM 935 CE2 TYR A 62 74.154 3.133 3.477 1.00 0.00 C ATOM 936 CZ TYR A 62 74.750 3.056 2.215 1.00 0.00 C ATOM 937 OH TYR A 62 74.051 3.452 1.093 1.00 0.00 O ATOM 0 H TYR A 62 74.902 0.498 6.432 1.00 0.00 H new ATOM 0 HA TYR A 62 77.318 -0.195 4.934 1.00 0.00 H new ATOM 0 HB2 TYR A 62 76.540 2.249 6.621 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.994 2.127 5.650 1.00 0.00 H new ATOM 0 HD1 TYR A 62 77.782 1.804 3.131 1.00 0.00 H new ATOM 0 HD2 TYR A 62 74.389 2.774 5.587 1.00 0.00 H new ATOM 0 HE1 TYR A 62 76.524 2.511 1.115 1.00 0.00 H new ATOM 0 HE2 TYR A 62 73.147 3.510 3.574 1.00 0.00 H new ATOM 0 HH TYR A 62 73.158 3.759 1.355 1.00 0.00 H new ATOM 947 N GLN A 63 77.235 0.189 8.234 1.00 0.00 N ATOM 948 CA GLN A 63 77.913 -0.120 9.511 1.00 0.00 C ATOM 949 C GLN A 63 76.885 -0.470 10.580 1.00 0.00 C ATOM 950 O GLN A 63 76.068 0.373 10.937 1.00 0.00 O ATOM 951 CB GLN A 63 78.725 1.098 10.031 1.00 0.00 C ATOM 952 CG GLN A 63 79.995 1.358 9.197 1.00 0.00 C ATOM 953 CD GLN A 63 80.731 2.593 9.713 1.00 0.00 C ATOM 954 OE1 GLN A 63 80.338 3.199 10.710 1.00 0.00 O ATOM 955 NE2 GLN A 63 81.797 2.998 9.080 1.00 0.00 N ATOM 0 H GLN A 63 76.359 0.699 8.348 1.00 0.00 H new ATOM 0 HA GLN A 63 78.583 -0.958 9.322 1.00 0.00 H new ATOM 0 HB2 GLN A 63 78.094 1.986 10.013 1.00 0.00 H new ATOM 0 HB3 GLN A 63 79.005 0.927 11.070 1.00 0.00 H new ATOM 0 HG2 GLN A 63 80.652 0.490 9.244 1.00 0.00 H new ATOM 0 HG3 GLN A 63 79.727 1.498 8.150 1.00 0.00 H new ATOM 0 HE21 GLN A 63 82.122 2.495 8.254 1.00 0.00 H new ATOM 0 HE22 GLN A 63 82.306 3.818 9.411 1.00 0.00 H new ATOM 964 N LYS A 64 76.939 -1.720 11.059 1.00 0.00 N ATOM 965 CA LYS A 64 76.016 -2.225 12.090 1.00 0.00 C ATOM 966 C LYS A 64 75.860 -1.253 13.270 1.00 0.00 C ATOM 967 O LYS A 64 76.819 -0.578 13.654 1.00 0.00 O ATOM 968 CB LYS A 64 76.530 -3.571 12.635 1.00 0.00 C ATOM 969 CG LYS A 64 76.474 -4.725 11.585 1.00 0.00 C ATOM 970 CD LYS A 64 75.021 -5.171 11.218 1.00 0.00 C ATOM 971 CE LYS A 64 75.005 -6.646 10.785 1.00 0.00 C ATOM 972 NZ LYS A 64 73.673 -6.972 10.212 1.00 0.00 N ATOM 0 H LYS A 64 77.621 -2.410 10.745 1.00 0.00 H new ATOM 0 HA LYS A 64 75.043 -2.340 11.612 1.00 0.00 H new ATOM 0 HB2 LYS A 64 77.558 -3.448 12.975 1.00 0.00 H new ATOM 0 HB3 LYS A 64 75.938 -3.852 13.506 1.00 0.00 H new ATOM 0 HG2 LYS A 64 76.986 -4.404 10.678 1.00 0.00 H new ATOM 0 HG3 LYS A 64 77.021 -5.584 11.973 1.00 0.00 H new ATOM 0 HD2 LYS A 64 74.363 -5.030 12.076 1.00 0.00 H new ATOM 0 HD3 LYS A 64 74.634 -4.545 10.414 1.00 0.00 H new ATOM 0 HE2 LYS A 64 75.786 -6.830 10.048 1.00 0.00 H new ATOM 0 HE3 LYS A 64 75.215 -7.290 11.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 73.615 -7.994 10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 72.929 -6.700 10.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 73.541 -6.451 9.322 1.00 0.00 H new ATOM 986 N ASP A 65 74.622 -1.217 13.819 1.00 0.00 N ATOM 987 CA ASP A 65 74.250 -0.361 14.963 1.00 0.00 C ATOM 988 C ASP A 65 73.695 -1.215 16.114 1.00 0.00 C ATOM 989 O ASP A 65 72.956 -0.723 16.971 1.00 0.00 O ATOM 990 CB ASP A 65 73.169 0.652 14.540 1.00 0.00 C ATOM 991 CG ASP A 65 73.322 1.035 13.049 1.00 0.00 C ATOM 992 OD1 ASP A 65 74.426 1.421 12.704 1.00 0.00 O ATOM 993 OD2 ASP A 65 72.362 0.943 12.270 1.00 0.00 O ATOM 0 H ASP A 65 73.850 -1.787 13.475 1.00 0.00 H new ATOM 0 HA ASP A 65 75.145 0.166 15.295 1.00 0.00 H new ATOM 0 HB2 ASP A 65 72.180 0.226 14.710 1.00 0.00 H new ATOM 0 HB3 ASP A 65 73.242 1.547 15.158 1.00 0.00 H new ATOM 998 N LEU A 66 74.039 -2.505 16.130 1.00 0.00 N ATOM 999 CA LEU A 66 73.539 -3.431 17.168 1.00 0.00 C ATOM 1000 C LEU A 66 74.017 -3.068 18.601 1.00 0.00 C ATOM 1001 O LEU A 66 73.779 -3.825 19.547 1.00 0.00 O ATOM 1002 CB LEU A 66 73.975 -4.886 16.831 1.00 0.00 C ATOM 1003 CG LEU A 66 73.252 -5.438 15.562 1.00 0.00 C ATOM 1004 CD1 LEU A 66 74.117 -6.514 14.886 1.00 0.00 C ATOM 1005 CD2 LEU A 66 71.914 -6.119 15.925 1.00 0.00 C ATOM 0 H LEU A 66 74.658 -2.937 15.444 1.00 0.00 H new ATOM 0 HA LEU A 66 72.453 -3.343 17.164 1.00 0.00 H new ATOM 0 HB2 LEU A 66 75.053 -4.913 16.674 1.00 0.00 H new ATOM 0 HB3 LEU A 66 73.760 -5.534 17.681 1.00 0.00 H new ATOM 0 HG LEU A 66 73.079 -4.586 14.904 1.00 0.00 H new ATOM 0 HD11 LEU A 66 73.603 -6.892 14.002 1.00 0.00 H new ATOM 0 HD12 LEU A 66 75.073 -6.081 14.592 1.00 0.00 H new ATOM 0 HD13 LEU A 66 74.289 -7.334 15.584 1.00 0.00 H new ATOM 0 HD21 LEU A 66 71.438 -6.492 15.018 1.00 0.00 H new ATOM 0 HD22 LEU A 66 72.102 -6.951 16.604 1.00 0.00 H new ATOM 0 HD23 LEU A 66 71.257 -5.396 16.409 1.00 0.00 H new ATOM 1017 N ALA A 67 74.661 -1.918 18.781 1.00 0.00 N ATOM 1018 CA ALA A 67 75.114 -1.512 20.100 1.00 0.00 C ATOM 1019 C ALA A 67 73.925 -1.292 21.025 1.00 0.00 C ATOM 1020 O ALA A 67 73.992 -1.635 22.209 1.00 0.00 O ATOM 1021 CB ALA A 67 75.926 -0.220 20.001 1.00 0.00 C ATOM 0 H ALA A 67 74.878 -1.258 18.034 1.00 0.00 H new ATOM 0 HA ALA A 67 75.741 -2.305 20.508 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.261 0.076 20.995 1.00 0.00 H new ATOM 0 HB2 ALA A 67 76.792 -0.383 19.360 1.00 0.00 H new ATOM 0 HB3 ALA A 67 75.304 0.569 19.578 1.00 0.00 H new ATOM 1027 N ILE A 68 72.839 -0.724 20.480 1.00 0.00 N ATOM 1028 CA ILE A 68 71.637 -0.465 21.277 1.00 0.00 C ATOM 1029 C ILE A 68 70.880 -1.767 21.598 1.00 0.00 C ATOM 1030 O ILE A 68 70.907 -2.214 22.746 1.00 0.00 O ATOM 1031 CB ILE A 68 70.700 0.581 20.601 1.00 0.00 C ATOM 1032 CG1 ILE A 68 70.750 0.488 19.047 1.00 0.00 C ATOM 1033 CG2 ILE A 68 71.110 2.014 21.021 1.00 0.00 C ATOM 1034 CD1 ILE A 68 69.424 0.993 18.428 1.00 0.00 C ATOM 0 H ILE A 68 72.771 -0.439 19.503 1.00 0.00 H new ATOM 0 HA ILE A 68 71.971 -0.034 22.221 1.00 0.00 H new ATOM 0 HB ILE A 68 69.685 0.361 20.932 1.00 0.00 H new ATOM 0 HG12 ILE A 68 71.583 1.080 18.668 1.00 0.00 H new ATOM 0 HG13 ILE A 68 70.929 -0.544 18.745 1.00 0.00 H new ATOM 0 HG21 ILE A 68 70.449 2.737 20.543 1.00 0.00 H new ATOM 0 HG22 ILE A 68 71.032 2.112 22.104 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.138 2.203 20.712 1.00 0.00 H new ATOM 0 HD11 ILE A 68 69.479 0.920 17.342 1.00 0.00 H new ATOM 0 HD12 ILE A 68 68.597 0.383 18.792 1.00 0.00 H new ATOM 0 HD13 ILE A 68 69.261 2.032 18.714 1.00 0.00 H new ATOM 1046 N HIS A 69 70.237 -2.386 20.598 1.00 0.00 N ATOM 1047 CA HIS A 69 69.519 -3.649 20.829 1.00 0.00 C ATOM 1048 C HIS A 69 70.497 -4.818 20.973 1.00 0.00 C ATOM 1049 O HIS A 69 71.308 -5.081 20.084 1.00 0.00 O ATOM 1050 CB HIS A 69 68.559 -3.920 19.677 1.00 0.00 C ATOM 1051 CG HIS A 69 67.424 -4.776 20.165 1.00 0.00 C ATOM 1052 ND1 HIS A 69 67.634 -6.036 20.696 1.00 0.00 N ATOM 1053 CD2 HIS A 69 66.064 -4.568 20.205 1.00 0.00 C ATOM 1054 CE1 HIS A 69 66.427 -6.540 21.028 1.00 0.00 C ATOM 1055 NE2 HIS A 69 65.441 -5.684 20.752 1.00 0.00 N ATOM 0 H HIS A 69 70.198 -2.042 19.639 1.00 0.00 H new ATOM 0 HA HIS A 69 68.956 -3.555 21.757 1.00 0.00 H new ATOM 0 HB2 HIS A 69 68.176 -2.980 19.280 1.00 0.00 H new ATOM 0 HB3 HIS A 69 69.083 -4.421 18.863 1.00 0.00 H new ATOM 0 HD2 HIS A 69 65.559 -3.676 19.864 1.00 0.00 H new ATOM 0 HE1 HIS A 69 66.277 -7.517 21.464 1.00 0.00 H new ATOM 0 HE2 HIS A 69 64.442 -5.820 20.909 1.00 0.00 H new ATOM 1063 N HIS A 70 70.413 -5.519 22.105 1.00 0.00 N ATOM 1064 CA HIS A 70 71.292 -6.660 22.358 1.00 0.00 C ATOM 1065 C HIS A 70 70.962 -7.822 21.428 1.00 0.00 C ATOM 1066 O HIS A 70 71.860 -8.477 20.904 1.00 0.00 O ATOM 1067 CB HIS A 70 71.147 -7.121 23.809 1.00 0.00 C ATOM 1068 CG HIS A 70 71.800 -6.122 24.722 1.00 0.00 C ATOM 1069 ND1 HIS A 70 73.153 -6.168 25.023 1.00 0.00 N ATOM 1070 CD2 HIS A 70 71.299 -5.044 25.412 1.00 0.00 C ATOM 1071 CE1 HIS A 70 73.417 -5.144 25.855 1.00 0.00 C ATOM 1072 NE2 HIS A 70 72.320 -4.429 26.125 1.00 0.00 N ATOM 0 H HIS A 70 69.751 -5.319 22.855 1.00 0.00 H new ATOM 0 HA HIS A 70 72.318 -6.341 22.172 1.00 0.00 H new ATOM 0 HB2 HIS A 70 70.093 -7.227 24.064 1.00 0.00 H new ATOM 0 HB3 HIS A 70 71.606 -8.101 23.938 1.00 0.00 H new ATOM 0 HD2 HIS A 70 70.268 -4.724 25.401 1.00 0.00 H new ATOM 0 HE1 HIS A 70 74.396 -4.926 26.256 1.00 0.00 H new ATOM 0 HE2 HIS A 70 72.248 -3.608 26.726 1.00 0.00 H new