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 -162:sc= 1.52 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -159:sc= 1.4 (180deg=-0.0201) USER MOD Set 2.1: A 49 SER OG : rot -75:sc= 0.288 USER MOD Set 2.2: A 62 TYR OH : rot 71:sc= 0.0425 USER MOD Set 3.1: A 18 HIS : no HD1:sc= -0.159 K(o=2.8,f=-8.4!) USER MOD Set 3.2: A 57 CYS SG : rot -135:sc= 1.04 USER MOD Set 3.3: A 60 CYS SG : rot 27:sc= 1.93 USER MOD Set 4.1: A 20 CYS SG : rot 90:sc= 1.9 USER MOD Set 4.2: A 23 CYS SG : rot 100:sc= 1.14 USER MOD Set 4.3: A 26 ASN : amide:sc= -0.723 K(o=3.7,f=2.3) USER MOD Set 4.4: A 33 THR OG1 : rot 93:sc= 1.41 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.833 K(o=-0.83,f=-3!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -152:sc= 0.00565 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0143 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 X(o=0,f=-0.012) USER MOD Single : A 47 CYS SG : rot -58:sc= -0.0437 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -0.322 K(o=-0.32,f=-2.2) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -170:sc= 0.00512 USER MOD Single : A 58 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.69) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 69 HIS : no HD1:sc= -0.526 K(o=-0.53,f=-1.3) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 221 N GLY A 16 60.917 -1.814 20.003 1.00 0.00 N ATOM 222 CA GLY A 16 62.321 -2.205 20.007 1.00 0.00 C ATOM 223 C GLY A 16 63.212 -0.979 19.858 1.00 0.00 C ATOM 224 O GLY A 16 62.782 0.041 19.319 1.00 0.00 O ATOM 0 HA2 GLY A 16 62.558 -2.724 20.935 1.00 0.00 H new ATOM 0 HA3 GLY A 16 62.513 -2.904 19.193 1.00 0.00 H new ATOM 228 N LYS A 17 64.460 -1.100 20.314 1.00 0.00 N ATOM 229 CA LYS A 17 65.395 -0.001 20.196 1.00 0.00 C ATOM 230 C LYS A 17 65.796 0.123 18.734 1.00 0.00 C ATOM 231 O LYS A 17 65.832 1.206 18.182 1.00 0.00 O ATOM 232 CB LYS A 17 66.621 -0.242 21.077 1.00 0.00 C ATOM 233 CG LYS A 17 66.200 -0.351 22.564 1.00 0.00 C ATOM 234 CD LYS A 17 67.416 -0.682 23.454 1.00 0.00 C ATOM 235 CE LYS A 17 66.994 -0.805 24.928 1.00 0.00 C ATOM 236 NZ LYS A 17 68.192 -1.133 25.753 1.00 0.00 N ATOM 0 H LYS A 17 64.834 -1.937 20.760 1.00 0.00 H new ATOM 0 HA LYS A 17 64.929 0.925 20.533 1.00 0.00 H new ATOM 0 HB2 LYS A 17 67.126 -1.157 20.767 1.00 0.00 H new ATOM 0 HB3 LYS A 17 67.333 0.574 20.952 1.00 0.00 H new ATOM 0 HG2 LYS A 17 65.750 0.587 22.889 1.00 0.00 H new ATOM 0 HG3 LYS A 17 65.440 -1.125 22.676 1.00 0.00 H new ATOM 0 HD2 LYS A 17 67.872 -1.615 23.122 1.00 0.00 H new ATOM 0 HD3 LYS A 17 68.171 0.097 23.351 1.00 0.00 H new ATOM 0 HE2 LYS A 17 66.546 0.128 25.270 1.00 0.00 H new ATOM 0 HE3 LYS A 17 66.237 -1.581 25.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 67.913 -1.218 26.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 68.600 -2.033 25.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 68.899 -0.377 25.654 1.00 0.00 H new ATOM 250 N HIS A 18 66.140 -0.996 18.120 1.00 0.00 N ATOM 251 CA HIS A 18 66.562 -0.962 16.723 1.00 0.00 C ATOM 252 C HIS A 18 65.446 -0.461 15.788 1.00 0.00 C ATOM 253 O HIS A 18 65.697 0.435 14.976 1.00 0.00 O ATOM 254 CB HIS A 18 67.003 -2.360 16.247 1.00 0.00 C ATOM 255 CG HIS A 18 68.151 -2.282 15.271 1.00 0.00 C ATOM 256 ND1 HIS A 18 69.115 -3.269 15.222 1.00 0.00 N ATOM 257 CD2 HIS A 18 68.520 -1.349 14.345 1.00 0.00 C ATOM 258 CE1 HIS A 18 70.008 -2.903 14.290 1.00 0.00 C ATOM 259 NE2 HIS A 18 69.694 -1.727 13.719 1.00 0.00 N ATOM 0 H HIS A 18 66.138 -1.921 18.551 1.00 0.00 H new ATOM 0 HA HIS A 18 67.399 -0.266 16.676 1.00 0.00 H new ATOM 0 HB2 HIS A 18 67.297 -2.961 17.107 1.00 0.00 H new ATOM 0 HB3 HIS A 18 66.160 -2.867 15.777 1.00 0.00 H new ATOM 0 HD2 HIS A 18 67.972 -0.443 14.131 1.00 0.00 H new ATOM 0 HE1 HIS A 18 70.879 -3.486 14.029 1.00 0.00 H new ATOM 0 HE2 HIS A 18 70.205 -1.228 12.991 1.00 0.00 H new ATOM 266 N ILE A 19 64.237 -1.060 15.892 1.00 0.00 N ATOM 267 CA ILE A 19 63.098 -0.712 15.024 1.00 0.00 C ATOM 268 C ILE A 19 62.078 0.120 15.782 1.00 0.00 C ATOM 269 O ILE A 19 61.548 -0.310 16.809 1.00 0.00 O ATOM 270 CB ILE A 19 62.396 -2.010 14.488 1.00 0.00 C ATOM 271 CG1 ILE A 19 63.429 -3.071 14.030 1.00 0.00 C ATOM 272 CG2 ILE A 19 61.479 -1.713 13.279 1.00 0.00 C ATOM 273 CD1 ILE A 19 63.633 -4.163 15.102 1.00 0.00 C ATOM 0 H ILE A 19 64.029 -1.790 16.574 1.00 0.00 H new ATOM 0 HA ILE A 19 63.486 -0.134 14.186 1.00 0.00 H new ATOM 0 HB ILE A 19 61.806 -2.389 15.322 1.00 0.00 H new ATOM 0 HG12 ILE A 19 63.092 -3.531 13.101 1.00 0.00 H new ATOM 0 HG13 ILE A 19 64.382 -2.585 13.818 1.00 0.00 H new ATOM 0 HG21 ILE A 19 61.013 -2.638 12.940 1.00 0.00 H new ATOM 0 HG22 ILE A 19 60.705 -1.004 13.575 1.00 0.00 H new ATOM 0 HG23 ILE A 19 62.071 -1.287 12.469 1.00 0.00 H new ATOM 0 HD11 ILE A 19 64.364 -4.890 14.747 1.00 0.00 H new ATOM 0 HD12 ILE A 19 63.994 -3.706 16.023 1.00 0.00 H new ATOM 0 HD13 ILE A 19 62.685 -4.666 15.294 1.00 0.00 H new ATOM 285 N CYS A 20 61.786 1.292 15.224 1.00 0.00 N ATOM 286 CA CYS A 20 60.790 2.194 15.791 1.00 0.00 C ATOM 287 C CYS A 20 59.403 1.716 15.337 1.00 0.00 C ATOM 288 O CYS A 20 59.247 1.178 14.248 1.00 0.00 O ATOM 289 CB CYS A 20 61.092 3.632 15.350 1.00 0.00 C ATOM 290 SG CYS A 20 59.594 4.651 15.457 1.00 0.00 S ATOM 0 H CYS A 20 62.229 1.640 14.374 1.00 0.00 H new ATOM 0 HA CYS A 20 60.816 2.185 16.881 1.00 0.00 H new ATOM 0 HB2 CYS A 20 61.874 4.056 15.980 1.00 0.00 H new ATOM 0 HB3 CYS A 20 61.469 3.634 14.327 1.00 0.00 H new ATOM 0 HG CYS A 20 59.518 5.188 16.638 1.00 0.00 H new ATOM 295 N ALA A 21 58.413 1.843 16.196 1.00 0.00 N ATOM 296 CA ALA A 21 57.076 1.347 15.884 1.00 0.00 C ATOM 297 C ALA A 21 56.407 2.118 14.751 1.00 0.00 C ATOM 298 O ALA A 21 55.348 1.695 14.278 1.00 0.00 O ATOM 299 CB ALA A 21 56.203 1.449 17.129 1.00 0.00 C ATOM 0 H ALA A 21 58.501 2.282 17.112 1.00 0.00 H new ATOM 0 HA ALA A 21 57.184 0.313 15.558 1.00 0.00 H new ATOM 0 HB1 ALA A 21 55.203 1.080 16.903 1.00 0.00 H new ATOM 0 HB2 ALA A 21 56.639 0.850 17.929 1.00 0.00 H new ATOM 0 HB3 ALA A 21 56.143 2.490 17.447 1.00 0.00 H new ATOM 305 N ILE A 22 57.011 3.255 14.370 1.00 0.00 N ATOM 306 CA ILE A 22 56.469 4.146 13.325 1.00 0.00 C ATOM 307 C ILE A 22 57.413 4.244 12.110 1.00 0.00 C ATOM 308 O ILE A 22 57.085 3.767 11.023 1.00 0.00 O ATOM 309 CB ILE A 22 56.230 5.574 13.924 1.00 0.00 C ATOM 310 CG1 ILE A 22 55.107 5.538 15.001 1.00 0.00 C ATOM 311 CG2 ILE A 22 55.793 6.585 12.819 1.00 0.00 C ATOM 312 CD1 ILE A 22 55.301 6.653 16.048 1.00 0.00 C ATOM 0 H ILE A 22 57.887 3.584 14.775 1.00 0.00 H new ATOM 0 HA ILE A 22 55.526 3.722 12.980 1.00 0.00 H new ATOM 0 HB ILE A 22 57.174 5.892 14.367 1.00 0.00 H new ATOM 0 HG12 ILE A 22 54.135 5.652 14.521 1.00 0.00 H new ATOM 0 HG13 ILE A 22 55.106 4.567 15.496 1.00 0.00 H new ATOM 0 HG21 ILE A 22 55.635 7.567 13.266 1.00 0.00 H new ATOM 0 HG22 ILE A 22 56.572 6.653 12.060 1.00 0.00 H new ATOM 0 HG23 ILE A 22 54.866 6.243 12.358 1.00 0.00 H new ATOM 0 HD11 ILE A 22 54.501 6.602 16.787 1.00 0.00 H new ATOM 0 HD12 ILE A 22 56.262 6.522 16.545 1.00 0.00 H new ATOM 0 HD13 ILE A 22 55.277 7.624 15.554 1.00 0.00 H new ATOM 324 N CYS A 23 58.553 4.917 12.300 1.00 0.00 N ATOM 325 CA CYS A 23 59.521 5.153 11.217 1.00 0.00 C ATOM 326 C CYS A 23 60.391 3.943 10.929 1.00 0.00 C ATOM 327 O CYS A 23 60.885 3.781 9.812 1.00 0.00 O ATOM 328 CB CYS A 23 60.436 6.309 11.599 1.00 0.00 C ATOM 329 SG CYS A 23 59.549 7.455 12.684 1.00 0.00 S ATOM 0 H CYS A 23 58.831 5.311 13.199 1.00 0.00 H new ATOM 0 HA CYS A 23 58.941 5.376 10.321 1.00 0.00 H new ATOM 0 HB2 CYS A 23 61.325 5.931 12.103 1.00 0.00 H new ATOM 0 HB3 CYS A 23 60.774 6.829 10.703 1.00 0.00 H new ATOM 0 HG CYS A 23 59.888 7.233 13.919 1.00 0.00 H new ATOM 334 N GLY A 24 60.593 3.127 11.948 1.00 0.00 N ATOM 335 CA GLY A 24 61.432 1.936 11.829 1.00 0.00 C ATOM 336 C GLY A 24 62.917 2.260 11.972 1.00 0.00 C ATOM 337 O GLY A 24 63.727 1.336 12.021 1.00 0.00 O ATOM 0 H GLY A 24 60.188 3.264 12.874 1.00 0.00 H new ATOM 0 HA2 GLY A 24 61.144 1.213 12.593 1.00 0.00 H new ATOM 0 HA3 GLY A 24 61.256 1.465 10.862 1.00 0.00 H new ATOM 341 N ASN A 25 63.264 3.568 11.990 1.00 0.00 N ATOM 342 CA ASN A 25 64.695 3.989 12.075 1.00 0.00 C ATOM 343 C ASN A 25 64.944 5.315 12.830 1.00 0.00 C ATOM 344 O ASN A 25 66.050 5.860 12.749 1.00 0.00 O ATOM 345 CB ASN A 25 65.289 4.095 10.641 1.00 0.00 C ATOM 346 CG ASN A 25 65.321 2.733 9.949 1.00 0.00 C ATOM 347 OD1 ASN A 25 65.822 1.760 10.512 1.00 0.00 O ATOM 348 ND2 ASN A 25 64.784 2.599 8.768 1.00 0.00 N ATOM 0 H ASN A 25 62.597 4.338 11.948 1.00 0.00 H new ATOM 0 HA ASN A 25 65.192 3.217 12.663 1.00 0.00 H new ATOM 0 HB2 ASN A 25 64.694 4.791 10.050 1.00 0.00 H new ATOM 0 HB3 ASN A 25 66.299 4.502 10.693 1.00 0.00 H new ATOM 0 HD21 ASN A 25 64.779 1.687 8.310 1.00 0.00 H new ATOM 0 HD22 ASN A 25 64.369 3.406 8.302 1.00 0.00 H new ATOM 355 N ASN A 26 63.978 5.805 13.611 1.00 0.00 N ATOM 356 CA ASN A 26 64.205 7.042 14.395 1.00 0.00 C ATOM 357 C ASN A 26 64.918 6.708 15.693 1.00 0.00 C ATOM 358 O ASN A 26 65.764 7.464 16.165 1.00 0.00 O ATOM 359 CB ASN A 26 62.885 7.738 14.707 1.00 0.00 C ATOM 360 CG ASN A 26 62.541 7.641 16.196 1.00 0.00 C ATOM 361 OD1 ASN A 26 62.950 8.486 16.988 1.00 0.00 O ATOM 362 ND2 ASN A 26 61.806 6.649 16.621 1.00 0.00 N ATOM 0 H ASN A 26 63.055 5.386 13.723 1.00 0.00 H new ATOM 0 HA ASN A 26 64.822 7.714 13.799 1.00 0.00 H new ATOM 0 HB2 ASN A 26 62.946 8.786 14.414 1.00 0.00 H new ATOM 0 HB3 ASN A 26 62.086 7.288 14.117 1.00 0.00 H new ATOM 0 HD21 ASN A 26 61.571 6.576 17.611 1.00 0.00 H new ATOM 0 HD22 ASN A 26 61.466 5.947 15.963 1.00 0.00 H new ATOM 369 N ALA A 27 64.526 5.584 16.279 1.00 0.00 N ATOM 370 CA ALA A 27 65.073 5.154 17.537 1.00 0.00 C ATOM 371 C ALA A 27 66.587 5.036 17.414 1.00 0.00 C ATOM 372 O ALA A 27 67.320 5.344 18.355 1.00 0.00 O ATOM 373 CB ALA A 27 64.406 3.844 17.928 1.00 0.00 C ATOM 0 H ALA A 27 63.823 4.955 15.890 1.00 0.00 H new ATOM 0 HA ALA A 27 64.875 5.878 18.328 1.00 0.00 H new ATOM 0 HB1 ALA A 27 64.808 3.501 18.881 1.00 0.00 H new ATOM 0 HB2 ALA A 27 63.331 3.997 18.022 1.00 0.00 H new ATOM 0 HB3 ALA A 27 64.600 3.094 17.161 1.00 0.00 H new ATOM 379 N GLU A 28 67.036 4.640 16.221 1.00 0.00 N ATOM 380 CA GLU A 28 68.447 4.529 15.918 1.00 0.00 C ATOM 381 C GLU A 28 69.026 5.912 15.565 1.00 0.00 C ATOM 382 O GLU A 28 70.156 6.215 15.954 1.00 0.00 O ATOM 383 CB GLU A 28 68.595 3.545 14.733 1.00 0.00 C ATOM 384 CG GLU A 28 70.056 3.413 14.258 1.00 0.00 C ATOM 385 CD GLU A 28 70.215 2.185 13.362 1.00 0.00 C ATOM 386 OE1 GLU A 28 70.032 1.082 13.847 1.00 0.00 O ATOM 387 OE2 GLU A 28 70.532 2.376 12.199 1.00 0.00 O ATOM 0 H GLU A 28 66.424 4.389 15.444 1.00 0.00 H new ATOM 0 HA GLU A 28 69.000 4.157 16.781 1.00 0.00 H new ATOM 0 HB2 GLU A 28 68.222 2.565 15.030 1.00 0.00 H new ATOM 0 HB3 GLU A 28 67.975 3.884 13.903 1.00 0.00 H new ATOM 0 HG2 GLU A 28 70.350 4.310 13.713 1.00 0.00 H new ATOM 0 HG3 GLU A 28 70.719 3.331 15.119 1.00 0.00 H new ATOM 394 N ASP A 29 68.242 6.708 14.791 1.00 0.00 N ATOM 395 CA ASP A 29 68.661 8.050 14.310 1.00 0.00 C ATOM 396 C ASP A 29 67.914 9.216 15.025 1.00 0.00 C ATOM 397 O ASP A 29 67.767 9.200 16.248 1.00 0.00 O ATOM 398 CB ASP A 29 68.448 8.103 12.777 1.00 0.00 C ATOM 399 CG ASP A 29 69.315 9.195 12.125 1.00 0.00 C ATOM 400 OD1 ASP A 29 69.802 10.048 12.845 1.00 0.00 O ATOM 401 OD2 ASP A 29 69.529 9.107 10.926 1.00 0.00 O ATOM 0 H ASP A 29 67.307 6.439 14.485 1.00 0.00 H new ATOM 0 HA ASP A 29 69.714 8.191 14.553 1.00 0.00 H new ATOM 0 HB2 ASP A 29 68.692 7.134 12.341 1.00 0.00 H new ATOM 0 HB3 ASP A 29 67.397 8.294 12.561 1.00 0.00 H new ATOM 406 N TYR A 30 67.475 10.242 14.260 1.00 0.00 N ATOM 407 CA TYR A 30 66.784 11.414 14.827 1.00 0.00 C ATOM 408 C TYR A 30 65.402 11.042 15.374 1.00 0.00 C ATOM 409 O TYR A 30 65.097 9.864 15.509 1.00 0.00 O ATOM 410 CB TYR A 30 66.624 12.494 13.751 1.00 0.00 C ATOM 411 CG TYR A 30 67.942 12.657 12.986 1.00 0.00 C ATOM 412 CD1 TYR A 30 69.011 13.314 13.608 1.00 0.00 C ATOM 413 CD2 TYR A 30 68.088 12.158 11.686 1.00 0.00 C ATOM 414 CE1 TYR A 30 70.224 13.474 12.930 1.00 0.00 C ATOM 415 CE2 TYR A 30 69.302 12.315 11.009 1.00 0.00 C ATOM 416 CZ TYR A 30 70.371 12.975 11.629 1.00 0.00 C ATOM 417 OH TYR A 30 71.568 13.132 10.960 1.00 0.00 O ATOM 0 H TYR A 30 67.589 10.278 13.247 1.00 0.00 H new ATOM 0 HA TYR A 30 67.391 11.790 15.651 1.00 0.00 H new ATOM 0 HB2 TYR A 30 65.824 12.220 13.063 1.00 0.00 H new ATOM 0 HB3 TYR A 30 66.339 13.440 14.211 1.00 0.00 H new ATOM 0 HD1 TYR A 30 68.899 13.697 14.611 1.00 0.00 H new ATOM 0 HD2 TYR A 30 67.263 11.652 11.206 1.00 0.00 H new ATOM 0 HE1 TYR A 30 71.047 13.982 13.409 1.00 0.00 H new ATOM 0 HE2 TYR A 30 69.415 11.927 10.007 1.00 0.00 H new ATOM 0 HH TYR A 30 71.501 12.727 10.070 1.00 0.00 H new ATOM 427 N LYS A 31 64.585 12.067 15.696 1.00 0.00 N ATOM 428 CA LYS A 31 63.233 11.859 16.250 1.00 0.00 C ATOM 429 C LYS A 31 62.235 12.821 15.622 1.00 0.00 C ATOM 430 O LYS A 31 61.212 13.134 16.236 1.00 0.00 O ATOM 431 CB LYS A 31 63.227 12.059 17.781 1.00 0.00 C ATOM 432 CG LYS A 31 64.412 11.312 18.448 1.00 0.00 C ATOM 433 CD LYS A 31 64.255 11.297 19.991 1.00 0.00 C ATOM 434 CE LYS A 31 65.466 10.618 20.662 1.00 0.00 C ATOM 435 NZ LYS A 31 65.244 10.572 22.136 1.00 0.00 N ATOM 0 H LYS A 31 64.840 13.048 15.581 1.00 0.00 H new ATOM 0 HA LYS A 31 62.942 10.834 16.019 1.00 0.00 H new ATOM 0 HB2 LYS A 31 63.288 13.123 18.012 1.00 0.00 H new ATOM 0 HB3 LYS A 31 62.286 11.696 18.194 1.00 0.00 H new ATOM 0 HG2 LYS A 31 64.461 10.290 18.073 1.00 0.00 H new ATOM 0 HG3 LYS A 31 65.351 11.796 18.178 1.00 0.00 H new ATOM 0 HD2 LYS A 31 64.155 12.318 20.360 1.00 0.00 H new ATOM 0 HD3 LYS A 31 63.341 10.769 20.262 1.00 0.00 H new ATOM 0 HE2 LYS A 31 65.597 9.610 20.270 1.00 0.00 H new ATOM 0 HE3 LYS A 31 66.379 11.169 20.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 66.057 10.115 22.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 65.139 11.540 22.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 64.381 10.029 22.340 1.00 0.00 H new ATOM 449 N HIS A 32 62.545 13.264 14.395 1.00 0.00 N ATOM 450 CA HIS A 32 61.678 14.188 13.649 1.00 0.00 C ATOM 451 C HIS A 32 60.775 13.437 12.678 1.00 0.00 C ATOM 452 O HIS A 32 59.808 14.005 12.167 1.00 0.00 O ATOM 453 CB HIS A 32 62.544 15.181 12.871 1.00 0.00 C ATOM 454 CG HIS A 32 63.237 16.094 13.844 1.00 0.00 C ATOM 455 ND1 HIS A 32 64.410 15.733 14.483 1.00 0.00 N ATOM 456 CD2 HIS A 32 62.922 17.344 14.316 1.00 0.00 C ATOM 457 CE1 HIS A 32 64.759 16.743 15.297 1.00 0.00 C ATOM 458 NE2 HIS A 32 63.888 17.754 15.234 1.00 0.00 N ATOM 0 H HIS A 32 63.393 12.996 13.896 1.00 0.00 H new ATOM 0 HA HIS A 32 61.047 14.717 14.364 1.00 0.00 H new ATOM 0 HB2 HIS A 32 63.278 14.648 12.267 1.00 0.00 H new ATOM 0 HB3 HIS A 32 61.927 15.761 12.184 1.00 0.00 H new ATOM 0 HD2 HIS A 32 62.058 17.921 14.021 1.00 0.00 H new ATOM 0 HE1 HIS A 32 65.637 16.738 15.926 1.00 0.00 H new ATOM 0 HE2 HIS A 32 63.922 18.635 15.747 1.00 0.00 H new ATOM 466 N THR A 33 61.098 12.166 12.432 1.00 0.00 N ATOM 467 CA THR A 33 60.312 11.338 11.517 1.00 0.00 C ATOM 468 C THR A 33 59.050 10.823 12.201 1.00 0.00 C ATOM 469 O THR A 33 58.111 10.390 11.534 1.00 0.00 O ATOM 470 CB THR A 33 61.143 10.144 11.040 1.00 0.00 C ATOM 471 OG1 THR A 33 61.803 9.551 12.151 1.00 0.00 O ATOM 472 CG2 THR A 33 62.181 10.593 10.005 1.00 0.00 C ATOM 0 H THR A 33 61.896 11.689 12.852 1.00 0.00 H new ATOM 0 HA THR A 33 60.030 11.955 10.664 1.00 0.00 H new ATOM 0 HB THR A 33 60.478 9.416 10.576 1.00 0.00 H new ATOM 0 HG1 THR A 33 61.252 8.824 12.509 1.00 0.00 H new ATOM 0 HG21 THR A 33 62.763 9.732 9.676 1.00 0.00 H new ATOM 0 HG22 THR A 33 61.673 11.036 9.148 1.00 0.00 H new ATOM 0 HG23 THR A 33 62.846 11.331 10.453 1.00 0.00 H new ATOM 480 N ASP A 34 59.029 10.873 13.532 1.00 0.00 N ATOM 481 CA ASP A 34 57.855 10.398 14.274 1.00 0.00 C ATOM 482 C ASP A 34 56.654 11.305 14.031 1.00 0.00 C ATOM 483 O ASP A 34 55.513 10.922 14.285 1.00 0.00 O ATOM 484 CB ASP A 34 58.155 10.343 15.775 1.00 0.00 C ATOM 485 CG ASP A 34 59.101 9.188 16.080 1.00 0.00 C ATOM 486 OD1 ASP A 34 58.663 8.058 16.039 1.00 0.00 O ATOM 487 OD2 ASP A 34 60.262 9.453 16.329 1.00 0.00 O ATOM 0 H ASP A 34 59.790 11.228 14.111 1.00 0.00 H new ATOM 0 HA ASP A 34 57.619 9.396 13.916 1.00 0.00 H new ATOM 0 HB2 ASP A 34 58.601 11.283 16.099 1.00 0.00 H new ATOM 0 HB3 ASP A 34 57.228 10.221 16.335 1.00 0.00 H new ATOM 492 N MET A 35 56.919 12.511 13.549 1.00 0.00 N ATOM 493 CA MET A 35 55.854 13.474 13.283 1.00 0.00 C ATOM 494 C MET A 35 54.942 12.975 12.162 1.00 0.00 C ATOM 495 O MET A 35 53.720 13.108 12.250 1.00 0.00 O ATOM 496 CB MET A 35 56.456 14.829 12.878 1.00 0.00 C ATOM 497 CG MET A 35 57.039 15.560 14.102 1.00 0.00 C ATOM 498 SD MET A 35 55.721 16.440 14.996 1.00 0.00 S ATOM 499 CE MET A 35 55.899 18.072 14.220 1.00 0.00 C ATOM 0 H MET A 35 57.858 12.847 13.334 1.00 0.00 H new ATOM 0 HA MET A 35 55.267 13.591 14.194 1.00 0.00 H new ATOM 0 HB2 MET A 35 57.238 14.676 12.134 1.00 0.00 H new ATOM 0 HB3 MET A 35 55.689 15.447 12.412 1.00 0.00 H new ATOM 0 HG2 MET A 35 57.523 14.844 14.766 1.00 0.00 H new ATOM 0 HG3 MET A 35 57.805 16.266 13.782 1.00 0.00 H new ATOM 0 HE1 MET A 35 55.166 18.758 14.644 1.00 0.00 H new ATOM 0 HE2 MET A 35 56.903 18.455 14.404 1.00 0.00 H new ATOM 0 HE3 MET A 35 55.735 17.984 13.146 1.00 0.00 H new ATOM 509 N ASP A 36 55.559 12.409 11.117 1.00 0.00 N ATOM 510 CA ASP A 36 54.825 11.890 9.956 1.00 0.00 C ATOM 511 C ASP A 36 54.364 10.455 10.195 1.00 0.00 C ATOM 512 O ASP A 36 55.183 9.541 10.295 1.00 0.00 O ATOM 513 CB ASP A 36 55.730 11.931 8.719 1.00 0.00 C ATOM 514 CG ASP A 36 56.074 13.376 8.361 1.00 0.00 C ATOM 515 OD1 ASP A 36 55.156 14.143 8.123 1.00 0.00 O ATOM 516 OD2 ASP A 36 57.251 13.692 8.338 1.00 0.00 O ATOM 0 H ASP A 36 56.571 12.299 11.052 1.00 0.00 H new ATOM 0 HA ASP A 36 53.946 12.515 9.799 1.00 0.00 H new ATOM 0 HB2 ASP A 36 56.644 11.369 8.910 1.00 0.00 H new ATOM 0 HB3 ASP A 36 55.230 11.450 7.878 1.00 0.00 H new ATOM 521 N LEU A 37 53.047 10.270 10.271 1.00 0.00 N ATOM 522 CA LEU A 37 52.475 8.941 10.485 1.00 0.00 C ATOM 523 C LEU A 37 52.625 8.118 9.210 1.00 0.00 C ATOM 524 O LEU A 37 52.606 8.675 8.109 1.00 0.00 O ATOM 525 CB LEU A 37 50.971 9.032 10.837 1.00 0.00 C ATOM 526 CG LEU A 37 50.683 10.014 12.025 1.00 0.00 C ATOM 527 CD1 LEU A 37 49.178 10.049 12.347 1.00 0.00 C ATOM 528 CD2 LEU A 37 51.437 9.626 13.315 1.00 0.00 C ATOM 0 H LEU A 37 52.359 11.019 10.188 1.00 0.00 H new ATOM 0 HA LEU A 37 53.005 8.471 11.314 1.00 0.00 H new ATOM 0 HB2 LEU A 37 50.416 9.360 9.958 1.00 0.00 H new ATOM 0 HB3 LEU A 37 50.602 8.039 11.095 1.00 0.00 H new ATOM 0 HG LEU A 37 51.033 10.993 11.696 1.00 0.00 H new ATOM 0 HD11 LEU A 37 48.999 10.736 13.174 1.00 0.00 H new ATOM 0 HD12 LEU A 37 48.626 10.386 11.469 1.00 0.00 H new ATOM 0 HD13 LEU A 37 48.842 9.050 12.626 1.00 0.00 H new ATOM 0 HD21 LEU A 37 51.200 10.340 14.104 1.00 0.00 H new ATOM 0 HD22 LEU A 37 51.134 8.627 13.627 1.00 0.00 H new ATOM 0 HD23 LEU A 37 52.510 9.637 13.126 1.00 0.00 H new ATOM 540 N THR A 38 52.781 6.799 9.389 1.00 0.00 N ATOM 541 CA THR A 38 52.946 5.850 8.274 1.00 0.00 C ATOM 542 C THR A 38 52.157 4.572 8.545 1.00 0.00 C ATOM 543 O THR A 38 51.770 4.299 9.682 1.00 0.00 O ATOM 544 CB THR A 38 54.430 5.486 8.091 1.00 0.00 C ATOM 545 OG1 THR A 38 54.847 4.680 9.183 1.00 0.00 O ATOM 546 CG2 THR A 38 55.309 6.748 8.037 1.00 0.00 C ATOM 0 H THR A 38 52.797 6.358 10.309 1.00 0.00 H new ATOM 0 HA THR A 38 52.573 6.328 7.368 1.00 0.00 H new ATOM 0 HB THR A 38 54.540 4.947 7.150 1.00 0.00 H new ATOM 0 HG1 THR A 38 55.807 4.806 9.335 1.00 0.00 H new ATOM 0 HG21 THR A 38 56.352 6.460 7.907 1.00 0.00 H new ATOM 0 HG22 THR A 38 54.998 7.372 7.199 1.00 0.00 H new ATOM 0 HG23 THR A 38 55.200 7.307 8.966 1.00 0.00 H new ATOM 554 N TYR A 39 51.933 3.797 7.484 1.00 0.00 N ATOM 555 CA TYR A 39 51.197 2.539 7.588 1.00 0.00 C ATOM 556 C TYR A 39 52.068 1.461 8.228 1.00 0.00 C ATOM 557 O TYR A 39 53.278 1.636 8.373 1.00 0.00 O ATOM 558 CB TYR A 39 50.755 2.082 6.194 1.00 0.00 C ATOM 559 CG TYR A 39 49.700 3.057 5.655 1.00 0.00 C ATOM 560 CD1 TYR A 39 50.101 4.207 4.968 1.00 0.00 C ATOM 561 CD2 TYR A 39 48.337 2.797 5.847 1.00 0.00 C ATOM 562 CE1 TYR A 39 49.145 5.098 4.477 1.00 0.00 C ATOM 563 CE2 TYR A 39 47.379 3.691 5.355 1.00 0.00 C ATOM 564 CZ TYR A 39 47.784 4.841 4.668 1.00 0.00 C ATOM 565 OH TYR A 39 46.840 5.724 4.185 1.00 0.00 O ATOM 0 H TYR A 39 52.252 4.020 6.541 1.00 0.00 H new ATOM 0 HA TYR A 39 50.320 2.699 8.215 1.00 0.00 H new ATOM 0 HB2 TYR A 39 51.612 2.046 5.521 1.00 0.00 H new ATOM 0 HB3 TYR A 39 50.345 1.073 6.242 1.00 0.00 H new ATOM 0 HD1 TYR A 39 51.152 4.406 4.817 1.00 0.00 H new ATOM 0 HD2 TYR A 39 48.026 1.907 6.374 1.00 0.00 H new ATOM 0 HE1 TYR A 39 49.457 5.987 3.949 1.00 0.00 H new ATOM 0 HE2 TYR A 39 46.328 3.493 5.505 1.00 0.00 H new ATOM 0 HH TYR A 39 45.943 5.395 4.402 1.00 0.00 H new ATOM 575 N THR A 40 51.441 0.351 8.616 1.00 0.00 N ATOM 576 CA THR A 40 52.164 -0.748 9.248 1.00 0.00 C ATOM 577 C THR A 40 53.211 -1.298 8.277 1.00 0.00 C ATOM 578 O THR A 40 54.360 -1.523 8.663 1.00 0.00 O ATOM 579 CB THR A 40 51.166 -1.858 9.638 1.00 0.00 C ATOM 580 OG1 THR A 40 50.010 -1.254 10.200 1.00 0.00 O ATOM 581 CG2 THR A 40 51.762 -2.815 10.690 1.00 0.00 C ATOM 0 H THR A 40 50.440 0.191 8.504 1.00 0.00 H new ATOM 0 HA THR A 40 52.668 -0.389 10.145 1.00 0.00 H new ATOM 0 HB THR A 40 50.927 -2.428 8.740 1.00 0.00 H new ATOM 0 HG1 THR A 40 49.367 -1.949 10.451 1.00 0.00 H new ATOM 0 HG21 THR A 40 51.030 -3.583 10.939 1.00 0.00 H new ATOM 0 HG22 THR A 40 52.659 -3.286 10.287 1.00 0.00 H new ATOM 0 HG23 THR A 40 52.019 -2.254 11.588 1.00 0.00 H new ATOM 589 N ASP A 41 52.801 -1.502 7.022 1.00 0.00 N ATOM 590 CA ASP A 41 53.701 -2.024 5.992 1.00 0.00 C ATOM 591 C ASP A 41 54.592 -0.910 5.445 1.00 0.00 C ATOM 592 O ASP A 41 54.152 -0.082 4.645 1.00 0.00 O ATOM 593 CB ASP A 41 52.882 -2.641 4.852 1.00 0.00 C ATOM 594 CG ASP A 41 53.816 -3.251 3.812 1.00 0.00 C ATOM 595 OD1 ASP A 41 54.473 -4.227 4.141 1.00 0.00 O ATOM 596 OD2 ASP A 41 53.863 -2.739 2.709 1.00 0.00 O ATOM 0 H ASP A 41 51.853 -1.314 6.696 1.00 0.00 H new ATOM 0 HA ASP A 41 54.335 -2.790 6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 41 52.213 -3.406 5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 41 52.256 -1.879 4.388 1.00 0.00 H new ATOM 601 N ARG A 42 55.849 -0.898 5.888 1.00 0.00 N ATOM 602 CA ARG A 42 56.808 0.115 5.445 1.00 0.00 C ATOM 603 C ARG A 42 57.253 -0.186 4.017 1.00 0.00 C ATOM 604 O ARG A 42 57.531 -1.338 3.680 1.00 0.00 O ATOM 605 CB ARG A 42 58.042 0.119 6.370 1.00 0.00 C ATOM 606 CG ARG A 42 57.667 0.617 7.793 1.00 0.00 C ATOM 607 CD ARG A 42 58.877 0.524 8.749 1.00 0.00 C ATOM 608 NE ARG A 42 58.512 1.030 10.081 1.00 0.00 N ATOM 609 CZ ARG A 42 57.814 0.324 10.960 1.00 0.00 C ATOM 610 NH1 ARG A 42 57.391 -0.870 10.648 1.00 0.00 N ATOM 611 NH2 ARG A 42 57.551 0.820 12.137 1.00 0.00 N ATOM 0 H ARG A 42 56.226 -1.575 6.551 1.00 0.00 H new ATOM 0 HA ARG A 42 56.327 1.092 5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 42 58.459 -0.886 6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 42 58.816 0.761 5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 42 57.319 1.648 7.741 1.00 0.00 H new ATOM 0 HG3 ARG A 42 56.843 0.021 8.185 1.00 0.00 H new ATOM 0 HD2 ARG A 42 59.212 -0.511 8.824 1.00 0.00 H new ATOM 0 HD3 ARG A 42 59.711 1.101 8.349 1.00 0.00 H new ATOM 0 HE ARG A 42 58.810 1.970 10.341 1.00 0.00 H new ATOM 0 HH11 ARG A 42 57.597 -1.260 9.728 1.00 0.00 H new ATOM 0 HH12 ARG A 42 56.854 -1.414 11.324 1.00 0.00 H new ATOM 0 HH21 ARG A 42 57.882 1.753 12.383 1.00 0.00 H new ATOM 0 HH22 ARG A 42 57.014 0.275 12.812 1.00 0.00 H new ATOM 625 N ASP A 43 57.320 0.860 3.192 1.00 0.00 N ATOM 626 CA ASP A 43 57.732 0.715 1.795 1.00 0.00 C ATOM 627 C ASP A 43 59.250 0.605 1.692 1.00 0.00 C ATOM 628 O ASP A 43 59.967 1.580 1.924 1.00 0.00 O ATOM 629 CB ASP A 43 57.256 1.926 0.988 1.00 0.00 C ATOM 630 CG ASP A 43 55.731 1.961 0.930 1.00 0.00 C ATOM 631 OD1 ASP A 43 55.154 1.012 0.428 1.00 0.00 O ATOM 632 OD2 ASP A 43 55.164 2.942 1.386 1.00 0.00 O ATOM 0 H ASP A 43 57.094 1.816 3.467 1.00 0.00 H new ATOM 0 HA ASP A 43 57.284 -0.195 1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 43 57.630 2.843 1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 43 57.664 1.881 -0.022 1.00 0.00 H new ATOM 637 N TYR A 44 59.722 -0.593 1.338 1.00 0.00 N ATOM 638 CA TYR A 44 61.155 -0.850 1.198 1.00 0.00 C ATOM 639 C TYR A 44 61.659 -0.339 -0.148 1.00 0.00 C ATOM 640 O TYR A 44 61.003 -0.525 -1.175 1.00 0.00 O ATOM 641 CB TYR A 44 61.420 -2.355 1.291 1.00 0.00 C ATOM 642 CG TYR A 44 61.037 -2.858 2.688 1.00 0.00 C ATOM 643 CD1 TYR A 44 61.986 -2.862 3.717 1.00 0.00 C ATOM 644 CD2 TYR A 44 59.735 -3.317 2.935 1.00 0.00 C ATOM 645 CE1 TYR A 44 61.638 -3.323 4.990 1.00 0.00 C ATOM 646 CE2 TYR A 44 59.387 -3.781 4.211 1.00 0.00 C ATOM 647 CZ TYR A 44 60.339 -3.784 5.239 1.00 0.00 C ATOM 648 OH TYR A 44 59.995 -4.238 6.495 1.00 0.00 O ATOM 0 H TYR A 44 59.130 -1.401 1.143 1.00 0.00 H new ATOM 0 HA TYR A 44 61.680 -0.329 1.999 1.00 0.00 H new ATOM 0 HB2 TYR A 44 60.843 -2.884 0.532 1.00 0.00 H new ATOM 0 HB3 TYR A 44 62.472 -2.562 1.094 1.00 0.00 H new ATOM 0 HD1 TYR A 44 62.989 -2.508 3.527 1.00 0.00 H new ATOM 0 HD2 TYR A 44 59.001 -3.313 2.143 1.00 0.00 H new ATOM 0 HE1 TYR A 44 62.372 -3.324 5.783 1.00 0.00 H new ATOM 0 HE2 TYR A 44 58.385 -4.136 4.402 1.00 0.00 H new ATOM 0 HH TYR A 44 59.056 -4.520 6.495 1.00 0.00 H new ATOM 658 N LYS A 45 62.829 0.296 -0.137 1.00 0.00 N ATOM 659 CA LYS A 45 63.416 0.823 -1.367 1.00 0.00 C ATOM 660 C LYS A 45 63.889 -0.331 -2.246 1.00 0.00 C ATOM 661 O LYS A 45 64.539 -1.260 -1.768 1.00 0.00 O ATOM 662 CB LYS A 45 64.612 1.739 -1.039 1.00 0.00 C ATOM 663 CG LYS A 45 64.146 3.022 -0.295 1.00 0.00 C ATOM 664 CD LYS A 45 65.364 3.906 0.092 1.00 0.00 C ATOM 665 CE LYS A 45 64.906 5.193 0.810 1.00 0.00 C ATOM 666 NZ LYS A 45 66.105 5.996 1.178 1.00 0.00 N ATOM 0 H LYS A 45 63.385 0.457 0.702 1.00 0.00 H new ATOM 0 HA LYS A 45 62.659 1.402 -1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 45 65.330 1.198 -0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 45 65.126 2.015 -1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 45 63.466 3.590 -0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 45 63.591 2.747 0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 45 66.036 3.343 0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 45 65.929 4.166 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 45 64.249 5.773 0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 45 64.332 4.942 1.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 65.805 6.866 1.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 66.715 5.440 1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 66.634 6.244 0.318 1.00 0.00 H new ATOM 680 N ASN A 46 63.549 -0.272 -3.530 1.00 0.00 N ATOM 681 CA ASN A 46 63.937 -1.326 -4.462 1.00 0.00 C ATOM 682 C ASN A 46 65.455 -1.409 -4.603 1.00 0.00 C ATOM 683 O ASN A 46 66.021 -2.503 -4.632 1.00 0.00 O ATOM 684 CB ASN A 46 63.310 -1.064 -5.834 1.00 0.00 C ATOM 685 CG ASN A 46 61.835 -1.456 -5.817 1.00 0.00 C ATOM 686 OD1 ASN A 46 61.505 -2.636 -5.705 1.00 0.00 O ATOM 687 ND2 ASN A 46 60.922 -0.527 -5.921 1.00 0.00 N ATOM 0 H ASN A 46 63.010 0.487 -3.947 1.00 0.00 H new ATOM 0 HA ASN A 46 63.576 -2.275 -4.066 1.00 0.00 H new ATOM 0 HB2 ASN A 46 63.412 -0.010 -6.094 1.00 0.00 H new ATOM 0 HB3 ASN A 46 63.837 -1.634 -6.599 1.00 0.00 H new ATOM 0 HD21 ASN A 46 59.934 -0.780 -5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 46 61.197 0.451 -6.014 1.00 0.00 H new ATOM 694 N CYS A 47 66.105 -0.248 -4.690 1.00 0.00 N ATOM 695 CA CYS A 47 67.560 -0.196 -4.832 1.00 0.00 C ATOM 696 C CYS A 47 68.238 -0.529 -3.505 1.00 0.00 C ATOM 697 O CYS A 47 68.563 0.370 -2.724 1.00 0.00 O ATOM 698 CB CYS A 47 67.984 1.200 -5.297 1.00 0.00 C ATOM 699 SG CYS A 47 69.790 1.312 -5.327 1.00 0.00 S ATOM 0 H CYS A 47 65.650 0.664 -4.665 1.00 0.00 H new ATOM 0 HA CYS A 47 67.867 -0.933 -5.574 1.00 0.00 H new ATOM 0 HB2 CYS A 47 67.581 1.401 -6.290 1.00 0.00 H new ATOM 0 HB3 CYS A 47 67.574 1.957 -4.628 1.00 0.00 H new ATOM 0 HG CYS A 47 70.260 1.056 -4.142 1.00 0.00 H new ATOM 705 N GLU A 48 68.446 -1.827 -3.263 1.00 0.00 N ATOM 706 CA GLU A 48 69.085 -2.289 -2.028 1.00 0.00 C ATOM 707 C GLU A 48 70.600 -2.086 -2.120 1.00 0.00 C ATOM 708 O GLU A 48 71.246 -2.565 -3.053 1.00 0.00 O ATOM 709 CB GLU A 48 68.765 -3.784 -1.811 1.00 0.00 C ATOM 710 CG GLU A 48 68.866 -4.163 -0.321 1.00 0.00 C ATOM 711 CD GLU A 48 68.751 -5.677 -0.145 1.00 0.00 C ATOM 712 OE1 GLU A 48 68.322 -6.341 -1.075 1.00 0.00 O ATOM 713 OE2 GLU A 48 69.094 -6.147 0.927 1.00 0.00 O ATOM 0 H GLU A 48 68.182 -2.574 -3.905 1.00 0.00 H new ATOM 0 HA GLU A 48 68.702 -1.714 -1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 48 67.762 -4.001 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 48 69.456 -4.395 -2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.816 -3.815 0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 48 68.077 -3.665 0.241 1.00 0.00 H new ATOM 720 N SER A 49 71.158 -1.360 -1.155 1.00 0.00 N ATOM 721 CA SER A 49 72.593 -1.091 -1.147 1.00 0.00 C ATOM 722 C SER A 49 73.401 -2.365 -0.902 1.00 0.00 C ATOM 723 O SER A 49 74.376 -2.620 -1.611 1.00 0.00 O ATOM 724 CB SER A 49 72.922 -0.065 -0.064 1.00 0.00 C ATOM 725 OG SER A 49 74.198 0.503 -0.330 1.00 0.00 O ATOM 0 H SER A 49 70.644 -0.951 -0.375 1.00 0.00 H new ATOM 0 HA SER A 49 72.864 -0.698 -2.127 1.00 0.00 H new ATOM 0 HB2 SER A 49 72.161 0.715 -0.042 1.00 0.00 H new ATOM 0 HB3 SER A 49 72.920 -0.540 0.917 1.00 0.00 H new ATOM 0 HG SER A 49 74.898 -0.142 -0.097 1.00 0.00 H new ATOM 731 N TYR A 50 72.980 -3.147 0.104 1.00 0.00 N ATOM 732 CA TYR A 50 73.655 -4.400 0.464 1.00 0.00 C ATOM 733 C TYR A 50 72.669 -5.364 1.118 1.00 0.00 C ATOM 734 O TYR A 50 71.667 -4.929 1.691 1.00 0.00 O ATOM 735 CB TYR A 50 74.818 -4.122 1.431 1.00 0.00 C ATOM 736 CG TYR A 50 76.007 -3.514 0.665 1.00 0.00 C ATOM 737 CD1 TYR A 50 76.875 -4.361 -0.035 1.00 0.00 C ATOM 738 CD2 TYR A 50 76.212 -2.129 0.645 1.00 0.00 C ATOM 739 CE1 TYR A 50 77.953 -3.821 -0.752 1.00 0.00 C ATOM 740 CE2 TYR A 50 77.288 -1.589 -0.071 1.00 0.00 C ATOM 741 CZ TYR A 50 78.159 -2.435 -0.769 1.00 0.00 C ATOM 742 OH TYR A 50 79.220 -1.904 -1.474 1.00 0.00 O ATOM 0 H TYR A 50 72.170 -2.930 0.685 1.00 0.00 H new ATOM 0 HA TYR A 50 74.047 -4.852 -0.447 1.00 0.00 H new ATOM 0 HB2 TYR A 50 74.493 -3.439 2.216 1.00 0.00 H new ATOM 0 HB3 TYR A 50 75.124 -5.047 1.920 1.00 0.00 H new ATOM 0 HD1 TYR A 50 76.715 -5.429 -0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 50 75.540 -1.476 1.182 1.00 0.00 H new ATOM 0 HE1 TYR A 50 78.624 -4.473 -1.291 1.00 0.00 H new ATOM 0 HE2 TYR A 50 77.446 -0.521 -0.085 1.00 0.00 H new ATOM 0 HH TYR A 50 79.218 -0.928 -1.383 1.00 0.00 H new ATOM 752 N HIS A 51 72.989 -6.665 1.022 1.00 0.00 N ATOM 753 CA HIS A 51 72.170 -7.748 1.593 1.00 0.00 C ATOM 754 C HIS A 51 72.882 -8.370 2.791 1.00 0.00 C ATOM 755 O HIS A 51 72.429 -9.372 3.342 1.00 0.00 O ATOM 756 CB HIS A 51 71.945 -8.830 0.535 1.00 0.00 C ATOM 757 CG HIS A 51 71.888 -8.199 -0.829 1.00 0.00 C ATOM 758 ND1 HIS A 51 70.701 -7.775 -1.405 1.00 0.00 N ATOM 759 CD2 HIS A 51 72.868 -7.931 -1.754 1.00 0.00 C ATOM 760 CE1 HIS A 51 70.994 -7.276 -2.621 1.00 0.00 C ATOM 761 NE2 HIS A 51 72.300 -7.348 -2.882 1.00 0.00 N ATOM 0 H HIS A 51 73.827 -6.997 0.544 1.00 0.00 H new ATOM 0 HA HIS A 51 71.214 -7.334 1.914 1.00 0.00 H new ATOM 0 HB2 HIS A 51 72.750 -9.564 0.574 1.00 0.00 H new ATOM 0 HB3 HIS A 51 71.017 -9.364 0.739 1.00 0.00 H new ATOM 0 HD1 HIS A 51 69.774 -7.831 -0.984 1.00 0.00 H new ATOM 0 HD2 HIS A 51 73.919 -8.141 -1.625 1.00 0.00 H new ATOM 0 HE1 HIS A 51 70.261 -6.868 -3.301 1.00 0.00 H new ATOM 769 N LYS A 52 74.010 -7.780 3.173 1.00 0.00 N ATOM 770 CA LYS A 52 74.795 -8.297 4.292 1.00 0.00 C ATOM 771 C LYS A 52 74.019 -8.244 5.603 1.00 0.00 C ATOM 772 O LYS A 52 74.223 -9.107 6.460 1.00 0.00 O ATOM 773 CB LYS A 52 76.096 -7.492 4.461 1.00 0.00 C ATOM 774 CG LYS A 52 77.054 -7.716 3.260 1.00 0.00 C ATOM 775 CD LYS A 52 78.346 -6.873 3.428 1.00 0.00 C ATOM 776 CE LYS A 52 79.305 -7.099 2.246 1.00 0.00 C ATOM 777 NZ LYS A 52 80.529 -6.274 2.449 1.00 0.00 N ATOM 0 H LYS A 52 74.400 -6.949 2.729 1.00 0.00 H new ATOM 0 HA LYS A 52 75.024 -9.337 4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 52 75.862 -6.431 4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 52 76.592 -7.787 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 52 77.310 -8.773 3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 52 76.553 -7.442 2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 52 78.089 -5.816 3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 52 78.842 -7.142 4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 52 79.570 -8.154 2.173 1.00 0.00 H new ATOM 0 HE3 LYS A 52 78.819 -6.827 1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 81.183 -6.421 1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 80.266 -5.269 2.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 80.994 -6.555 3.336 1.00 0.00 H new ATOM 791 N CYS A 53 73.138 -7.238 5.742 1.00 0.00 N ATOM 792 CA CYS A 53 72.324 -7.062 6.952 1.00 0.00 C ATOM 793 C CYS A 53 70.890 -7.536 6.739 1.00 0.00 C ATOM 794 O CYS A 53 70.474 -7.811 5.615 1.00 0.00 O ATOM 795 CB CYS A 53 72.326 -5.589 7.332 1.00 0.00 C ATOM 796 SG CYS A 53 74.043 -5.068 7.538 1.00 0.00 S ATOM 0 H CYS A 53 72.973 -6.532 5.025 1.00 0.00 H new ATOM 0 HA CYS A 53 72.755 -7.664 7.752 1.00 0.00 H new ATOM 0 HB2 CYS A 53 71.838 -4.995 6.559 1.00 0.00 H new ATOM 0 HB3 CYS A 53 71.767 -5.433 8.255 1.00 0.00 H new ATOM 0 HG CYS A 53 74.081 -3.956 8.210 1.00 0.00 H new ATOM 802 N SER A 54 70.148 -7.646 7.845 1.00 0.00 N ATOM 803 CA SER A 54 68.758 -8.115 7.808 1.00 0.00 C ATOM 804 C SER A 54 67.874 -7.229 6.928 1.00 0.00 C ATOM 805 O SER A 54 66.753 -7.614 6.601 1.00 0.00 O ATOM 806 CB SER A 54 68.184 -8.137 9.220 1.00 0.00 C ATOM 807 OG SER A 54 68.046 -6.805 9.694 1.00 0.00 O ATOM 0 H SER A 54 70.487 -7.416 8.779 1.00 0.00 H new ATOM 0 HA SER A 54 68.766 -9.118 7.381 1.00 0.00 H new ATOM 0 HB2 SER A 54 67.216 -8.638 9.223 1.00 0.00 H new ATOM 0 HB3 SER A 54 68.839 -8.704 9.882 1.00 0.00 H new ATOM 0 HG SER A 54 67.829 -6.819 10.650 1.00 0.00 H new ATOM 813 N ASP A 55 68.398 -6.048 6.565 1.00 0.00 N ATOM 814 CA ASP A 55 67.707 -5.060 5.718 1.00 0.00 C ATOM 815 C ASP A 55 66.601 -4.335 6.476 1.00 0.00 C ATOM 816 O ASP A 55 66.031 -3.371 5.962 1.00 0.00 O ATOM 817 CB ASP A 55 67.130 -5.705 4.447 1.00 0.00 C ATOM 818 CG ASP A 55 67.086 -4.693 3.310 1.00 0.00 C ATOM 819 OD1 ASP A 55 68.140 -4.372 2.782 1.00 0.00 O ATOM 820 OD2 ASP A 55 65.996 -4.271 2.969 1.00 0.00 O ATOM 0 H ASP A 55 69.328 -5.747 6.856 1.00 0.00 H new ATOM 0 HA ASP A 55 68.460 -4.328 5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 55 67.740 -6.561 4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 55 66.127 -6.081 4.646 1.00 0.00 H new ATOM 825 N LEU A 56 66.302 -4.788 7.691 1.00 0.00 N ATOM 826 CA LEU A 56 65.266 -4.152 8.490 1.00 0.00 C ATOM 827 C LEU A 56 65.694 -2.724 8.787 1.00 0.00 C ATOM 828 O LEU A 56 64.928 -1.783 8.573 1.00 0.00 O ATOM 829 CB LEU A 56 65.082 -4.895 9.830 1.00 0.00 C ATOM 830 CG LEU A 56 64.595 -6.370 9.633 1.00 0.00 C ATOM 831 CD1 LEU A 56 64.658 -7.131 10.967 1.00 0.00 C ATOM 832 CD2 LEU A 56 63.149 -6.474 9.085 1.00 0.00 C ATOM 0 H LEU A 56 66.758 -5.584 8.137 1.00 0.00 H new ATOM 0 HA LEU A 56 64.327 -4.174 7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 56 66.027 -4.897 10.374 1.00 0.00 H new ATOM 0 HB3 LEU A 56 64.361 -4.356 10.445 1.00 0.00 H new ATOM 0 HG LEU A 56 65.266 -6.808 8.894 1.00 0.00 H new ATOM 0 HD11 LEU A 56 64.317 -8.156 10.818 1.00 0.00 H new ATOM 0 HD12 LEU A 56 65.685 -7.140 11.333 1.00 0.00 H new ATOM 0 HD13 LEU A 56 64.017 -6.638 11.698 1.00 0.00 H new ATOM 0 HD21 LEU A 56 62.877 -7.524 8.973 1.00 0.00 H new ATOM 0 HD22 LEU A 56 62.461 -5.993 9.780 1.00 0.00 H new ATOM 0 HD23 LEU A 56 63.091 -5.979 8.116 1.00 0.00 H new ATOM 844 N CYS A 57 66.945 -2.594 9.253 1.00 0.00 N ATOM 845 CA CYS A 57 67.553 -1.304 9.570 1.00 0.00 C ATOM 846 C CYS A 57 68.323 -0.813 8.346 1.00 0.00 C ATOM 847 O CYS A 57 69.123 -1.555 7.774 1.00 0.00 O ATOM 848 CB CYS A 57 68.440 -1.498 10.801 1.00 0.00 C ATOM 849 SG CYS A 57 69.623 -0.131 11.007 1.00 0.00 S ATOM 0 H CYS A 57 67.562 -3.389 9.420 1.00 0.00 H new ATOM 0 HA CYS A 57 66.812 -0.540 9.807 1.00 0.00 H new ATOM 0 HB2 CYS A 57 67.815 -1.574 11.691 1.00 0.00 H new ATOM 0 HB3 CYS A 57 68.984 -2.438 10.712 1.00 0.00 H new ATOM 0 HG CYS A 57 70.798 -0.612 11.286 1.00 0.00 H new ATOM 854 N GLN A 58 68.043 0.415 7.924 1.00 0.00 N ATOM 855 CA GLN A 58 68.671 0.985 6.728 1.00 0.00 C ATOM 856 C GLN A 58 70.147 1.360 6.920 1.00 0.00 C ATOM 857 O GLN A 58 70.953 1.197 6.010 1.00 0.00 O ATOM 858 CB GLN A 58 67.864 2.219 6.263 1.00 0.00 C ATOM 859 CG GLN A 58 68.021 3.413 7.238 1.00 0.00 C ATOM 860 CD GLN A 58 66.877 4.413 7.055 1.00 0.00 C ATOM 861 OE1 GLN A 58 66.253 4.471 5.996 1.00 0.00 O ATOM 862 NE2 GLN A 58 66.583 5.227 8.031 1.00 0.00 N ATOM 0 H GLN A 58 67.385 1.039 8.390 1.00 0.00 H new ATOM 0 HA GLN A 58 68.658 0.206 5.966 1.00 0.00 H new ATOM 0 HB2 GLN A 58 68.196 2.516 5.268 1.00 0.00 H new ATOM 0 HB3 GLN A 58 66.810 1.954 6.181 1.00 0.00 H new ATOM 0 HG2 GLN A 58 68.033 3.051 8.266 1.00 0.00 H new ATOM 0 HG3 GLN A 58 68.976 3.909 7.063 1.00 0.00 H new ATOM 0 HE21 GLN A 58 67.100 5.179 8.909 1.00 0.00 H new ATOM 0 HE22 GLN A 58 65.836 5.912 7.916 1.00 0.00 H new ATOM 871 N TYR A 59 70.472 1.901 8.084 1.00 0.00 N ATOM 872 CA TYR A 59 71.836 2.351 8.376 1.00 0.00 C ATOM 873 C TYR A 59 72.781 1.188 8.644 1.00 0.00 C ATOM 874 O TYR A 59 73.988 1.310 8.440 1.00 0.00 O ATOM 875 CB TYR A 59 71.811 3.298 9.569 1.00 0.00 C ATOM 876 CG TYR A 59 72.379 4.663 9.161 1.00 0.00 C ATOM 877 CD1 TYR A 59 71.527 5.656 8.660 1.00 0.00 C ATOM 878 CD2 TYR A 59 73.747 4.921 9.299 1.00 0.00 C ATOM 879 CE1 TYR A 59 72.049 6.905 8.295 1.00 0.00 C ATOM 880 CE2 TYR A 59 74.267 6.170 8.935 1.00 0.00 C ATOM 881 CZ TYR A 59 73.418 7.162 8.432 1.00 0.00 C ATOM 882 OH TYR A 59 73.930 8.390 8.072 1.00 0.00 O ATOM 0 H TYR A 59 69.811 2.042 8.848 1.00 0.00 H new ATOM 0 HA TYR A 59 72.214 2.871 7.496 1.00 0.00 H new ATOM 0 HB2 TYR A 59 70.790 3.413 9.932 1.00 0.00 H new ATOM 0 HB3 TYR A 59 72.396 2.881 10.389 1.00 0.00 H new ATOM 0 HD1 TYR A 59 70.470 5.460 8.555 1.00 0.00 H new ATOM 0 HD2 TYR A 59 74.403 4.156 9.687 1.00 0.00 H new ATOM 0 HE1 TYR A 59 71.393 7.671 7.907 1.00 0.00 H new ATOM 0 HE2 TYR A 59 75.323 6.367 9.043 1.00 0.00 H new ATOM 0 HH TYR A 59 74.897 8.401 8.232 1.00 0.00 H new ATOM 892 N CYS A 60 72.234 0.069 9.097 1.00 0.00 N ATOM 893 CA CYS A 60 73.048 -1.096 9.382 1.00 0.00 C ATOM 894 C CYS A 60 73.742 -1.595 8.118 1.00 0.00 C ATOM 895 O CYS A 60 74.788 -2.240 8.195 1.00 0.00 O ATOM 896 CB CYS A 60 72.172 -2.214 9.930 1.00 0.00 C ATOM 897 SG CYS A 60 72.125 -2.186 11.757 1.00 0.00 S ATOM 0 H CYS A 60 71.237 -0.053 9.273 1.00 0.00 H new ATOM 0 HA CYS A 60 73.801 -0.811 10.116 1.00 0.00 H new ATOM 0 HB2 CYS A 60 71.161 -2.112 9.536 1.00 0.00 H new ATOM 0 HB3 CYS A 60 72.552 -3.177 9.589 1.00 0.00 H new ATOM 0 HG CYS A 60 72.330 -0.973 12.178 1.00 0.00 H new ATOM 902 N ARG A 61 73.130 -1.306 6.966 1.00 0.00 N ATOM 903 CA ARG A 61 73.652 -1.746 5.665 1.00 0.00 C ATOM 904 C ARG A 61 75.096 -1.300 5.472 1.00 0.00 C ATOM 905 O ARG A 61 75.891 -2.022 4.863 1.00 0.00 O ATOM 906 CB ARG A 61 72.811 -1.133 4.531 1.00 0.00 C ATOM 907 CG ARG A 61 71.358 -1.675 4.560 1.00 0.00 C ATOM 908 CD ARG A 61 70.487 -0.984 3.497 1.00 0.00 C ATOM 909 NE ARG A 61 69.142 -1.541 3.543 1.00 0.00 N ATOM 910 CZ ARG A 61 68.172 -1.108 2.742 1.00 0.00 C ATOM 911 NH1 ARG A 61 68.402 -0.128 1.915 1.00 0.00 N ATOM 912 NH2 ARG A 61 66.988 -1.661 2.790 1.00 0.00 N ATOM 0 H ARG A 61 72.267 -0.766 6.906 1.00 0.00 H new ATOM 0 HA ARG A 61 73.601 -2.835 5.641 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.800 -0.047 4.628 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.269 -1.362 3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 61 71.365 -2.751 4.386 1.00 0.00 H new ATOM 0 HG3 ARG A 61 70.927 -1.515 5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 61 70.455 0.090 3.678 1.00 0.00 H new ATOM 0 HD3 ARG A 61 70.919 -1.127 2.507 1.00 0.00 H new ATOM 0 HE ARG A 61 68.938 -2.286 4.209 1.00 0.00 H new ATOM 0 HH11 ARG A 61 69.325 0.306 1.882 1.00 0.00 H new ATOM 0 HH12 ARG A 61 67.660 0.205 1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 61 66.808 -2.425 3.442 1.00 0.00 H new ATOM 0 HH22 ARG A 61 66.245 -1.329 2.176 1.00 0.00 H new ATOM 926 N TYR A 62 75.416 -0.113 5.998 1.00 0.00 N ATOM 927 CA TYR A 62 76.760 0.461 5.895 1.00 0.00 C ATOM 928 C TYR A 62 77.621 0.072 7.089 1.00 0.00 C ATOM 929 O TYR A 62 78.724 -0.449 6.914 1.00 0.00 O ATOM 930 CB TYR A 62 76.653 1.988 5.828 1.00 0.00 C ATOM 931 CG TYR A 62 75.926 2.384 4.538 1.00 0.00 C ATOM 932 CD1 TYR A 62 76.641 2.456 3.338 1.00 0.00 C ATOM 933 CD2 TYR A 62 74.551 2.663 4.553 1.00 0.00 C ATOM 934 CE1 TYR A 62 75.986 2.805 2.152 1.00 0.00 C ATOM 935 CE2 TYR A 62 73.898 3.016 3.366 1.00 0.00 C ATOM 936 CZ TYR A 62 74.612 3.084 2.166 1.00 0.00 C ATOM 937 OH TYR A 62 73.966 3.429 0.998 1.00 0.00 O ATOM 0 H TYR A 62 74.753 0.474 6.505 1.00 0.00 H new ATOM 0 HA TYR A 62 77.230 0.072 4.992 1.00 0.00 H new ATOM 0 HB2 TYR A 62 76.112 2.365 6.696 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.646 2.436 5.852 1.00 0.00 H new ATOM 0 HD1 TYR A 62 77.700 2.242 3.327 1.00 0.00 H new ATOM 0 HD2 TYR A 62 73.997 2.606 5.479 1.00 0.00 H new ATOM 0 HE1 TYR A 62 76.539 2.859 1.226 1.00 0.00 H new ATOM 0 HE2 TYR A 62 72.841 3.236 3.377 1.00 0.00 H new ATOM 0 HH TYR A 62 73.905 2.644 0.414 1.00 0.00 H new ATOM 947 N GLN A 63 77.106 0.355 8.295 1.00 0.00 N ATOM 948 CA GLN A 63 77.811 0.065 9.560 1.00 0.00 C ATOM 949 C GLN A 63 76.810 -0.351 10.636 1.00 0.00 C ATOM 950 O GLN A 63 75.927 0.425 10.986 1.00 0.00 O ATOM 951 CB GLN A 63 78.573 1.307 10.083 1.00 0.00 C ATOM 952 CG GLN A 63 79.816 1.650 9.231 1.00 0.00 C ATOM 953 CD GLN A 63 80.505 2.897 9.787 1.00 0.00 C ATOM 954 OE1 GLN A 63 80.084 3.446 10.807 1.00 0.00 O ATOM 955 NE2 GLN A 63 81.542 3.381 9.164 1.00 0.00 N ATOM 0 H GLN A 63 76.192 0.790 8.424 1.00 0.00 H new ATOM 0 HA GLN A 63 78.519 -0.738 9.355 1.00 0.00 H new ATOM 0 HB2 GLN A 63 77.899 2.163 10.094 1.00 0.00 H new ATOM 0 HB3 GLN A 63 78.882 1.131 11.113 1.00 0.00 H new ATOM 0 HG2 GLN A 63 80.511 0.810 9.232 1.00 0.00 H new ATOM 0 HG3 GLN A 63 79.522 1.819 8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 63 81.889 2.925 8.320 1.00 0.00 H new ATOM 0 HE22 GLN A 63 82.007 4.216 9.520 1.00 0.00 H new ATOM 964 N LYS A 64 76.960 -1.585 11.124 1.00 0.00 N ATOM 965 CA LYS A 64 76.075 -2.157 12.157 1.00 0.00 C ATOM 966 C LYS A 64 75.879 -1.223 13.354 1.00 0.00 C ATOM 967 O LYS A 64 76.807 -0.518 13.758 1.00 0.00 O ATOM 968 CB LYS A 64 76.665 -3.482 12.678 1.00 0.00 C ATOM 969 CG LYS A 64 76.725 -4.600 11.592 1.00 0.00 C ATOM 970 CD LYS A 64 75.322 -5.119 11.147 1.00 0.00 C ATOM 971 CE LYS A 64 75.431 -6.559 10.614 1.00 0.00 C ATOM 972 NZ LYS A 64 74.139 -6.947 9.983 1.00 0.00 N ATOM 0 H LYS A 64 77.697 -2.220 10.818 1.00 0.00 H new ATOM 0 HA LYS A 64 75.107 -2.313 11.681 1.00 0.00 H new ATOM 0 HB2 LYS A 64 77.670 -3.300 13.058 1.00 0.00 H new ATOM 0 HB3 LYS A 64 76.066 -3.833 13.518 1.00 0.00 H new ATOM 0 HG2 LYS A 64 77.255 -4.218 10.719 1.00 0.00 H new ATOM 0 HG3 LYS A 64 77.307 -5.437 11.977 1.00 0.00 H new ATOM 0 HD2 LYS A 64 74.631 -5.087 11.989 1.00 0.00 H new ATOM 0 HD3 LYS A 64 74.914 -4.468 10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 64 76.240 -6.630 9.887 1.00 0.00 H new ATOM 0 HE3 LYS A 64 75.672 -7.243 11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 74.069 -7.984 9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 73.350 -6.568 10.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 74.094 -6.561 9.018 1.00 0.00 H new ATOM 986 N ASP A 65 74.640 -1.251 13.894 1.00 0.00 N ATOM 987 CA ASP A 65 74.225 -0.436 15.050 1.00 0.00 C ATOM 988 C ASP A 65 73.619 -1.328 16.152 1.00 0.00 C ATOM 989 O ASP A 65 72.819 -0.874 16.974 1.00 0.00 O ATOM 990 CB ASP A 65 73.167 0.587 14.605 1.00 0.00 C ATOM 991 CG ASP A 65 73.368 0.977 13.117 1.00 0.00 C ATOM 992 OD1 ASP A 65 74.437 1.497 12.847 1.00 0.00 O ATOM 993 OD2 ASP A 65 72.477 0.783 12.282 1.00 0.00 O ATOM 0 H ASP A 65 73.895 -1.847 13.533 1.00 0.00 H new ATOM 0 HA ASP A 65 75.103 0.076 15.444 1.00 0.00 H new ATOM 0 HB2 ASP A 65 72.170 0.169 14.744 1.00 0.00 H new ATOM 0 HB3 ASP A 65 73.230 1.477 15.231 1.00 0.00 H new ATOM 998 N LEU A 66 73.998 -2.606 16.168 1.00 0.00 N ATOM 999 CA LEU A 66 73.463 -3.559 17.161 1.00 0.00 C ATOM 1000 C LEU A 66 73.933 -3.242 18.600 1.00 0.00 C ATOM 1001 O LEU A 66 73.661 -4.007 19.528 1.00 0.00 O ATOM 1002 CB LEU A 66 73.897 -5.005 16.794 1.00 0.00 C ATOM 1003 CG LEU A 66 73.248 -5.501 15.462 1.00 0.00 C ATOM 1004 CD1 LEU A 66 74.156 -6.544 14.788 1.00 0.00 C ATOM 1005 CD2 LEU A 66 71.891 -6.195 15.721 1.00 0.00 C ATOM 0 H LEU A 66 74.668 -3.010 15.513 1.00 0.00 H new ATOM 0 HA LEU A 66 72.377 -3.467 17.136 1.00 0.00 H new ATOM 0 HB2 LEU A 66 74.982 -5.044 16.703 1.00 0.00 H new ATOM 0 HB3 LEU A 66 73.621 -5.681 17.603 1.00 0.00 H new ATOM 0 HG LEU A 66 73.109 -4.623 14.831 1.00 0.00 H new ATOM 0 HD11 LEU A 66 73.694 -6.883 13.861 1.00 0.00 H new ATOM 0 HD12 LEU A 66 75.125 -6.095 14.568 1.00 0.00 H new ATOM 0 HD13 LEU A 66 74.293 -7.394 15.457 1.00 0.00 H new ATOM 0 HD21 LEU A 66 71.466 -6.528 14.774 1.00 0.00 H new ATOM 0 HD22 LEU A 66 72.041 -7.055 16.374 1.00 0.00 H new ATOM 0 HD23 LEU A 66 71.208 -5.492 16.198 1.00 0.00 H new ATOM 1017 N ALA A 67 74.622 -2.123 18.799 1.00 0.00 N ATOM 1018 CA ALA A 67 75.085 -1.766 20.129 1.00 0.00 C ATOM 1019 C ALA A 67 73.903 -1.501 21.050 1.00 0.00 C ATOM 1020 O ALA A 67 73.928 -1.901 22.215 1.00 0.00 O ATOM 1021 CB ALA A 67 75.971 -0.521 20.058 1.00 0.00 C ATOM 0 H ALA A 67 74.868 -1.458 18.066 1.00 0.00 H new ATOM 0 HA ALA A 67 75.664 -2.598 20.529 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.314 -0.261 21.059 1.00 0.00 H new ATOM 0 HB2 ALA A 67 76.832 -0.723 19.421 1.00 0.00 H new ATOM 0 HB3 ALA A 67 75.399 0.309 19.643 1.00 0.00 H new ATOM 1027 N ILE A 68 72.874 -0.826 20.521 1.00 0.00 N ATOM 1028 CA ILE A 68 71.690 -0.509 21.317 1.00 0.00 C ATOM 1029 C ILE A 68 70.850 -1.773 21.606 1.00 0.00 C ATOM 1030 O ILE A 68 70.795 -2.208 22.757 1.00 0.00 O ATOM 1031 CB ILE A 68 70.858 0.636 20.664 1.00 0.00 C ATOM 1032 CG1 ILE A 68 70.853 0.538 19.112 1.00 0.00 C ATOM 1033 CG2 ILE A 68 71.459 2.007 21.060 1.00 0.00 C ATOM 1034 CD1 ILE A 68 69.573 1.184 18.528 1.00 0.00 C ATOM 0 H ILE A 68 72.840 -0.494 19.557 1.00 0.00 H new ATOM 0 HA ILE A 68 72.023 -0.134 22.285 1.00 0.00 H new ATOM 0 HB ILE A 68 69.834 0.538 21.024 1.00 0.00 H new ATOM 0 HG12 ILE A 68 71.735 1.036 18.708 1.00 0.00 H new ATOM 0 HG13 ILE A 68 70.910 -0.507 18.808 1.00 0.00 H new ATOM 0 HG21 ILE A 68 70.876 2.806 20.602 1.00 0.00 H new ATOM 0 HG22 ILE A 68 71.435 2.115 22.144 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.490 2.066 20.713 1.00 0.00 H new ATOM 0 HD11 ILE A 68 69.589 1.105 17.441 1.00 0.00 H new ATOM 0 HD12 ILE A 68 68.695 0.668 18.916 1.00 0.00 H new ATOM 0 HD13 ILE A 68 69.532 2.235 18.815 1.00 0.00 H new ATOM 1046 N HIS A 69 70.245 -2.393 20.582 1.00 0.00 N ATOM 1047 CA HIS A 69 69.485 -3.628 20.798 1.00 0.00 C ATOM 1048 C HIS A 69 70.429 -4.793 21.075 1.00 0.00 C ATOM 1049 O HIS A 69 71.333 -5.069 20.287 1.00 0.00 O ATOM 1050 CB HIS A 69 68.645 -3.956 19.571 1.00 0.00 C ATOM 1051 CG HIS A 69 68.187 -5.385 19.634 1.00 0.00 C ATOM 1052 ND1 HIS A 69 67.188 -5.804 20.498 1.00 0.00 N ATOM 1053 CD2 HIS A 69 68.568 -6.502 18.929 1.00 0.00 C ATOM 1054 CE1 HIS A 69 67.003 -7.122 20.295 1.00 0.00 C ATOM 1055 NE2 HIS A 69 67.819 -7.596 19.349 1.00 0.00 N ATOM 0 H HIS A 69 70.267 -2.066 19.616 1.00 0.00 H new ATOM 0 HA HIS A 69 68.832 -3.475 21.658 1.00 0.00 H new ATOM 0 HB2 HIS A 69 67.783 -3.290 19.521 1.00 0.00 H new ATOM 0 HB3 HIS A 69 69.228 -3.791 18.665 1.00 0.00 H new ATOM 0 HD2 HIS A 69 69.332 -6.526 18.166 1.00 0.00 H new ATOM 0 HE1 HIS A 69 66.283 -7.723 20.831 1.00 0.00 H new ATOM 0 HE2 HIS A 69 67.880 -8.555 19.008 1.00 0.00 H new ATOM 1063 N HIS A 70 70.208 -5.476 22.199 1.00 0.00 N ATOM 1064 CA HIS A 70 71.040 -6.618 22.573 1.00 0.00 C ATOM 1065 C HIS A 70 70.718 -7.825 21.697 1.00 0.00 C ATOM 1066 O HIS A 70 69.551 -8.115 21.432 1.00 0.00 O ATOM 1067 CB HIS A 70 70.805 -6.978 24.041 1.00 0.00 C ATOM 1068 CG HIS A 70 71.271 -5.846 24.916 1.00 0.00 C ATOM 1069 ND1 HIS A 70 72.612 -5.601 25.158 1.00 0.00 N ATOM 1070 CD2 HIS A 70 70.583 -4.882 25.611 1.00 0.00 C ATOM 1071 CE1 HIS A 70 72.689 -4.528 25.966 1.00 0.00 C ATOM 1072 NE2 HIS A 70 71.478 -4.054 26.272 1.00 0.00 N ATOM 0 H HIS A 70 69.464 -5.259 22.862 1.00 0.00 H new ATOM 0 HA HIS A 70 72.085 -6.344 22.428 1.00 0.00 H new ATOM 0 HB2 HIS A 70 69.747 -7.173 24.214 1.00 0.00 H new ATOM 0 HB3 HIS A 70 71.343 -7.892 24.293 1.00 0.00 H new ATOM 0 HD2 HIS A 70 69.508 -4.784 25.639 1.00 0.00 H new ATOM 0 HE1 HIS A 70 73.615 -4.102 26.323 1.00 0.00 H new ATOM 0 HE2 HIS A 70 71.258 -3.254 26.865 1.00 0.00 H new