USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 361 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 32 CYS SG : rot 136:sc= 0.387 USER MOD Set 1.2: A 34 ASN :FLIP amide:sc= 0.448 F(o=1.1,f=2.8) USER MOD Set 1.3: A 37 CYS SG : rot 97:sc= 0.316 USER MOD Set 1.4: A 59 CYS SG : rot 180:sc= 0.786 USER MOD Set 1.5: A 62 CYS SG : rot -134:sc= 0.849 USER MOD Set 2.1: A 19 CYS SG : rot 162:sc= 1.02 USER MOD Set 2.2: A 21 CYS SG : rot -76:sc= -0.855 USER MOD Set 2.3: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.4: A 43 HIS : no HD1:sc= -1.12 K(o=-0.94,f=-7!) USER MOD Set 2.5: A 46 CYS SG : rot -179:sc= 0.0185 USER MOD Single : A 17 THR OG1 : rot 25:sc= 0.379 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.408 X(o=-0.41,f=-0.73) USER MOD Single : A 23 GLN : amide:sc=-0.00367 K(o=-0.0037,f=-1.5!) USER MOD Single : A 25 SER OG : rot 31:sc= 0.642 USER MOD Single : A 29 MET CE :methyl -154:sc= -1.13 (180deg=-2.36!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -60:sc= 0.315 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= -0.14 (180deg=-0.632) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -42:sc= 1.15 USER MOD Single : A 61 LYS NZ :NH3+ 163:sc= -0.0216 (180deg=-0.227) USER MOD ----------------------------------------------------------------- ATOM 185 N PRO A 16 -4.032 15.575 4.266 1.00 0.00 N ATOM 186 CA PRO A 16 -4.752 14.387 4.734 1.00 0.00 C ATOM 187 C PRO A 16 -3.954 13.104 4.523 1.00 0.00 C ATOM 188 O PRO A 16 -2.805 13.141 4.081 1.00 0.00 O ATOM 189 CB PRO A 16 -6.017 14.377 3.871 1.00 0.00 C ATOM 190 CG PRO A 16 -5.638 15.114 2.634 1.00 0.00 C ATOM 191 CD PRO A 16 -4.646 16.160 3.062 1.00 0.00 C ATOM 0 HA PRO A 16 -4.949 14.426 5.805 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.333 13.359 3.644 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.849 14.862 4.382 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.201 14.440 1.897 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.511 15.572 2.169 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.905 16.353 2.286 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.133 17.110 3.281 1.00 0.00 H new ATOM 199 N THR A 17 -4.570 11.970 4.842 1.00 0.00 N ATOM 200 CA THR A 17 -3.917 10.677 4.689 1.00 0.00 C ATOM 201 C THR A 17 -4.730 9.753 3.789 1.00 0.00 C ATOM 202 O THR A 17 -5.925 9.551 4.008 1.00 0.00 O ATOM 203 CB THR A 17 -3.703 9.990 6.051 1.00 0.00 C ATOM 204 OG1 THR A 17 -4.967 9.659 6.637 1.00 0.00 O ATOM 205 CG2 THR A 17 -2.922 10.892 6.995 1.00 0.00 C ATOM 0 H THR A 17 -5.521 11.922 5.208 1.00 0.00 H new ATOM 0 HA THR A 17 -2.947 10.866 4.230 1.00 0.00 H new ATOM 0 HB THR A 17 -3.129 9.078 5.887 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.640 9.565 5.931 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.783 10.386 7.950 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.949 11.119 6.560 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.474 11.819 7.152 1.00 0.00 H new ATOM 213 N TYR A 18 -4.076 9.194 2.777 1.00 0.00 N ATOM 214 CA TYR A 18 -4.740 8.292 1.843 1.00 0.00 C ATOM 215 C TYR A 18 -4.290 6.851 2.064 1.00 0.00 C ATOM 216 O TYR A 18 -5.091 5.985 2.414 1.00 0.00 O ATOM 217 CB TYR A 18 -4.449 8.714 0.402 1.00 0.00 C ATOM 218 CG TYR A 18 -4.998 10.078 0.048 1.00 0.00 C ATOM 219 CD1 TYR A 18 -4.245 11.227 0.257 1.00 0.00 C ATOM 220 CD2 TYR A 18 -6.268 10.217 -0.497 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.742 12.475 -0.064 1.00 0.00 C ATOM 222 CE2 TYR A 18 -6.773 11.461 -0.823 1.00 0.00 C ATOM 223 CZ TYR A 18 -6.007 12.587 -0.604 1.00 0.00 C ATOM 224 OH TYR A 18 -6.505 13.828 -0.927 1.00 0.00 O ATOM 0 H TYR A 18 -3.087 9.349 2.582 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.814 8.349 2.022 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.371 8.713 0.243 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.872 7.974 -0.277 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.254 11.143 0.678 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.871 9.338 -0.669 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.144 13.358 0.107 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.762 11.551 -1.247 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.407 13.732 -1.297 1.00 0.00 H new ATOM 234 N CYS A 19 -3.001 6.603 1.856 1.00 0.00 N ATOM 235 CA CYS A 19 -2.441 5.268 2.032 1.00 0.00 C ATOM 236 C CYS A 19 -2.991 4.610 3.295 1.00 0.00 C ATOM 237 O CYS A 19 -3.515 5.284 4.182 1.00 0.00 O ATOM 238 CB CYS A 19 -0.915 5.337 2.103 1.00 0.00 C ATOM 239 SG CYS A 19 -0.081 3.760 1.735 1.00 0.00 S ATOM 0 H CYS A 19 -2.325 7.309 1.565 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.731 4.664 1.172 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.563 6.094 1.402 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.623 5.666 3.100 1.00 0.00 H new ATOM 0 HG CYS A 19 1.164 3.986 1.439 1.00 0.00 H new ATOM 244 N LEU A 20 -2.866 3.289 3.368 1.00 0.00 N ATOM 245 CA LEU A 20 -3.350 2.538 4.522 1.00 0.00 C ATOM 246 C LEU A 20 -2.545 2.882 5.771 1.00 0.00 C ATOM 247 O LEU A 20 -3.083 2.921 6.878 1.00 0.00 O ATOM 248 CB LEU A 20 -3.270 1.036 4.247 1.00 0.00 C ATOM 249 CG LEU A 20 -3.920 0.555 2.949 1.00 0.00 C ATOM 250 CD1 LEU A 20 -3.198 -0.670 2.412 1.00 0.00 C ATOM 251 CD2 LEU A 20 -5.395 0.252 3.172 1.00 0.00 C ATOM 0 H LEU A 20 -2.434 2.716 2.643 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.390 2.814 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.220 0.745 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.736 0.509 5.080 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.841 1.351 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.675 -0.998 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.156 -0.420 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.245 -1.472 3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.842 -0.089 2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.496 -0.527 3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.905 1.154 3.510 1.00 0.00 H new ATOM 263 N CYS A 21 -1.253 3.132 5.586 1.00 0.00 N ATOM 264 CA CYS A 21 -0.373 3.475 6.697 1.00 0.00 C ATOM 265 C CYS A 21 -0.765 4.817 7.308 1.00 0.00 C ATOM 266 O CYS A 21 -0.198 5.242 8.313 1.00 0.00 O ATOM 267 CB CYS A 21 1.082 3.522 6.226 1.00 0.00 C ATOM 268 SG CYS A 21 1.424 4.821 4.997 1.00 0.00 S ATOM 0 H CYS A 21 -0.792 3.103 4.677 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.476 2.704 7.461 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.728 3.676 7.091 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.346 2.554 5.799 1.00 0.00 H new ATOM 0 HG CYS A 21 0.970 4.451 3.837 1.00 0.00 H new ATOM 273 N ASN A 22 -1.739 5.479 6.692 1.00 0.00 N ATOM 274 CA ASN A 22 -2.208 6.773 7.174 1.00 0.00 C ATOM 275 C ASN A 22 -1.116 7.831 7.040 1.00 0.00 C ATOM 276 O ASN A 22 -0.764 8.499 8.012 1.00 0.00 O ATOM 277 CB ASN A 22 -2.653 6.666 8.634 1.00 0.00 C ATOM 278 CG ASN A 22 -3.324 5.340 8.938 1.00 0.00 C ATOM 279 OD1 ASN A 22 -2.738 4.468 9.580 1.00 0.00 O ATOM 280 ND2 ASN A 22 -4.558 5.182 8.476 1.00 0.00 N ATOM 0 H ASN A 22 -2.219 5.141 5.858 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.059 7.074 6.563 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.787 6.790 9.285 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.342 7.479 8.862 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.059 4.311 8.648 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.005 5.932 7.949 1.00 0.00 H new ATOM 287 N GLN A 23 -0.587 7.977 5.830 1.00 0.00 N ATOM 288 CA GLN A 23 0.464 8.954 5.570 1.00 0.00 C ATOM 289 C GLN A 23 0.107 9.833 4.376 1.00 0.00 C ATOM 290 O GLN A 23 -0.703 9.452 3.531 1.00 0.00 O ATOM 291 CB GLN A 23 1.796 8.245 5.316 1.00 0.00 C ATOM 292 CG GLN A 23 2.475 7.753 6.584 1.00 0.00 C ATOM 293 CD GLN A 23 3.145 8.870 7.359 1.00 0.00 C ATOM 294 OE1 GLN A 23 3.369 9.959 6.832 1.00 0.00 O ATOM 295 NE2 GLN A 23 3.469 8.605 8.620 1.00 0.00 N ATOM 0 H GLN A 23 -0.868 7.432 5.015 1.00 0.00 H new ATOM 0 HA GLN A 23 0.560 9.590 6.450 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.626 7.397 4.652 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.468 8.927 4.795 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.737 7.266 7.221 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.219 6.999 6.324 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.265 7.688 9.017 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.922 9.319 9.191 1.00 0.00 H new ATOM 304 N VAL A 24 0.717 11.013 4.312 1.00 0.00 N ATOM 305 CA VAL A 24 0.463 11.946 3.222 1.00 0.00 C ATOM 306 C VAL A 24 1.038 11.426 1.909 1.00 0.00 C ATOM 307 O VAL A 24 1.782 10.446 1.890 1.00 0.00 O ATOM 308 CB VAL A 24 1.064 13.333 3.519 1.00 0.00 C ATOM 309 CG1 VAL A 24 0.404 13.950 4.742 1.00 0.00 C ATOM 310 CG2 VAL A 24 2.570 13.231 3.710 1.00 0.00 C ATOM 0 H VAL A 24 1.390 11.345 5.003 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.619 12.039 3.130 1.00 0.00 H new ATOM 0 HB VAL A 24 0.872 13.983 2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.841 14.929 4.936 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.665 14.059 4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.562 13.304 5.606 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.978 14.220 3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.787 12.565 4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.026 12.835 2.803 1.00 0.00 H new ATOM 320 N SER A 25 0.688 12.091 0.812 1.00 0.00 N ATOM 321 CA SER A 25 1.167 11.694 -0.507 1.00 0.00 C ATOM 322 C SER A 25 2.498 12.367 -0.827 1.00 0.00 C ATOM 323 O SER A 25 2.579 13.591 -0.929 1.00 0.00 O ATOM 324 CB SER A 25 0.132 12.050 -1.577 1.00 0.00 C ATOM 325 OG SER A 25 -0.055 13.452 -1.659 1.00 0.00 O ATOM 0 H SER A 25 0.075 12.906 0.811 1.00 0.00 H new ATOM 0 HA SER A 25 1.318 10.614 -0.502 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.457 11.666 -2.544 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.817 11.566 -1.345 1.00 0.00 H new ATOM 0 HG SER A 25 0.783 13.908 -1.434 1.00 0.00 H new ATOM 331 N TYR A 26 3.540 11.558 -0.985 1.00 0.00 N ATOM 332 CA TYR A 26 4.869 12.074 -1.291 1.00 0.00 C ATOM 333 C TYR A 26 5.527 11.260 -2.401 1.00 0.00 C ATOM 334 O TYR A 26 5.779 11.767 -3.493 1.00 0.00 O ATOM 335 CB TYR A 26 5.747 12.054 -0.039 1.00 0.00 C ATOM 336 CG TYR A 26 5.553 10.824 0.818 1.00 0.00 C ATOM 337 CD1 TYR A 26 4.436 10.690 1.633 1.00 0.00 C ATOM 338 CD2 TYR A 26 6.486 9.794 0.811 1.00 0.00 C ATOM 339 CE1 TYR A 26 4.255 9.568 2.418 1.00 0.00 C ATOM 340 CE2 TYR A 26 6.312 8.667 1.592 1.00 0.00 C ATOM 341 CZ TYR A 26 5.195 8.559 2.394 1.00 0.00 C ATOM 342 OH TYR A 26 5.018 7.439 3.173 1.00 0.00 O ATOM 0 H TYR A 26 3.490 10.542 -0.906 1.00 0.00 H new ATOM 0 HA TYR A 26 4.762 13.103 -1.635 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.793 12.116 -0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.533 12.940 0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.696 11.477 1.653 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.362 9.876 0.185 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.382 9.481 3.047 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.046 7.875 1.574 1.00 0.00 H new ATOM 0 HH TYR A 26 5.770 6.825 3.038 1.00 0.00 H new ATOM 352 N GLY A 27 5.802 9.991 -2.112 1.00 0.00 N ATOM 353 CA GLY A 27 6.428 9.126 -3.094 1.00 0.00 C ATOM 354 C GLY A 27 5.451 8.640 -4.146 1.00 0.00 C ATOM 355 O GLY A 27 4.318 9.117 -4.216 1.00 0.00 O ATOM 0 H GLY A 27 5.602 9.547 -1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.243 9.663 -3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.869 8.267 -2.588 1.00 0.00 H new ATOM 359 N GLU A 28 5.889 7.691 -4.967 1.00 0.00 N ATOM 360 CA GLU A 28 5.045 7.144 -6.022 1.00 0.00 C ATOM 361 C GLU A 28 3.770 6.540 -5.439 1.00 0.00 C ATOM 362 O GLU A 28 3.815 5.789 -4.466 1.00 0.00 O ATOM 363 CB GLU A 28 5.807 6.083 -6.817 1.00 0.00 C ATOM 364 CG GLU A 28 6.491 6.629 -8.060 1.00 0.00 C ATOM 365 CD GLU A 28 5.612 6.551 -9.292 1.00 0.00 C ATOM 366 OE1 GLU A 28 5.250 5.424 -9.692 1.00 0.00 O ATOM 367 OE2 GLU A 28 5.285 7.616 -9.857 1.00 0.00 O ATOM 0 H GLU A 28 6.824 7.285 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 28 4.769 7.959 -6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.557 5.626 -6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.115 5.294 -7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.776 7.667 -7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.410 6.071 -8.239 1.00 0.00 H new ATOM 374 N MET A 29 2.634 6.876 -6.043 1.00 0.00 N ATOM 375 CA MET A 29 1.347 6.367 -5.585 1.00 0.00 C ATOM 376 C MET A 29 0.477 5.946 -6.766 1.00 0.00 C ATOM 377 O MET A 29 0.554 6.534 -7.845 1.00 0.00 O ATOM 378 CB MET A 29 0.621 7.427 -4.754 1.00 0.00 C ATOM 379 CG MET A 29 1.315 7.751 -3.442 1.00 0.00 C ATOM 380 SD MET A 29 0.516 9.097 -2.547 1.00 0.00 S ATOM 381 CE MET A 29 -0.701 8.194 -1.592 1.00 0.00 C ATOM 0 H MET A 29 2.579 7.498 -6.850 1.00 0.00 H new ATOM 0 HA MET A 29 1.532 5.492 -4.962 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.531 8.340 -5.343 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.391 7.082 -4.544 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.330 6.860 -2.814 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.353 8.018 -3.641 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.541 8.849 -1.361 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.055 7.339 -2.168 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.249 7.844 -0.664 1.00 0.00 H new ATOM 391 N ILE A 30 -0.347 4.926 -6.554 1.00 0.00 N ATOM 392 CA ILE A 30 -1.231 4.428 -7.601 1.00 0.00 C ATOM 393 C ILE A 30 -2.695 4.619 -7.221 1.00 0.00 C ATOM 394 O ILE A 30 -3.040 4.668 -6.042 1.00 0.00 O ATOM 395 CB ILE A 30 -0.978 2.936 -7.889 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.486 2.077 -6.729 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.504 2.687 -8.130 1.00 0.00 C ATOM 398 CD1 ILE A 30 -0.444 1.827 -5.661 1.00 0.00 C ATOM 0 H ILE A 30 -0.421 4.428 -5.667 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.013 5.005 -8.499 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.525 2.657 -8.790 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.349 2.566 -6.276 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.831 1.120 -7.120 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.667 1.628 -8.332 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.837 3.275 -8.985 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.071 2.979 -7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.874 1.212 -4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.410 1.310 -6.099 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.116 2.779 -5.243 1.00 0.00 H new ATOM 410 N GLY A 31 -3.553 4.727 -8.231 1.00 0.00 N ATOM 411 CA GLY A 31 -4.971 4.910 -7.983 1.00 0.00 C ATOM 412 C GLY A 31 -5.737 3.602 -8.001 1.00 0.00 C ATOM 413 O GLY A 31 -5.852 2.955 -9.043 1.00 0.00 O ATOM 0 H GLY A 31 -3.291 4.691 -9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.108 5.394 -7.016 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.385 5.580 -8.737 1.00 0.00 H new ATOM 417 N CYS A 32 -6.262 3.210 -6.845 1.00 0.00 N ATOM 418 CA CYS A 32 -7.019 1.969 -6.731 1.00 0.00 C ATOM 419 C CYS A 32 -8.128 1.910 -7.777 1.00 0.00 C ATOM 420 O CYS A 32 -9.075 2.696 -7.737 1.00 0.00 O ATOM 421 CB CYS A 32 -7.617 1.840 -5.328 1.00 0.00 C ATOM 422 SG CYS A 32 -8.665 0.368 -5.100 1.00 0.00 S ATOM 0 H CYS A 32 -6.177 3.734 -5.974 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.336 1.138 -6.905 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.806 1.812 -4.600 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.208 2.730 -5.113 1.00 0.00 H new ATOM 0 HG CYS A 32 -8.388 -0.190 -3.959 1.00 0.00 H new ATOM 427 N ASP A 33 -8.004 0.974 -8.711 1.00 0.00 N ATOM 428 CA ASP A 33 -8.996 0.811 -9.767 1.00 0.00 C ATOM 429 C ASP A 33 -10.407 1.007 -9.221 1.00 0.00 C ATOM 430 O ASP A 33 -11.242 1.656 -9.851 1.00 0.00 O ATOM 431 CB ASP A 33 -8.870 -0.574 -10.405 1.00 0.00 C ATOM 432 CG ASP A 33 -9.491 -0.633 -11.786 1.00 0.00 C ATOM 433 OD1 ASP A 33 -9.667 0.438 -12.405 1.00 0.00 O ATOM 434 OD2 ASP A 33 -9.801 -1.750 -12.249 1.00 0.00 O ATOM 0 H ASP A 33 -7.226 0.316 -8.758 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.811 1.570 -10.527 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.817 -0.846 -10.472 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.350 -1.312 -9.762 1.00 0.00 H new ATOM 439 N ASN A 34 -10.667 0.440 -8.048 1.00 0.00 N ATOM 440 CA ASN A 34 -11.978 0.552 -7.418 1.00 0.00 C ATOM 441 C ASN A 34 -12.287 2.002 -7.059 1.00 0.00 C ATOM 442 O ASN A 34 -11.839 2.505 -6.030 1.00 0.00 O ATOM 443 CB ASN A 34 -12.039 -0.321 -6.163 1.00 0.00 C ATOM 444 CG ASN A 34 -13.449 -0.454 -5.620 1.00 0.00 C ATOM 445 OD1 ASN A 34 -13.652 -0.009 -4.385 1.00 0.00 O flip ATOM 446 ND2 ASN A 34 -14.345 -0.951 -6.303 1.00 0.00 N flip ATOM 0 H ASN A 34 -9.988 -0.102 -7.514 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.727 0.206 -8.130 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.646 -1.311 -6.393 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.395 0.107 -5.394 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.144 -1.280 -7.247 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.289 -1.034 -5.924 1.00 0.00 H new ATOM 453 N GLU A 35 -13.057 2.666 -7.915 1.00 0.00 N ATOM 454 CA GLU A 35 -13.426 4.058 -7.688 1.00 0.00 C ATOM 455 C GLU A 35 -14.033 4.240 -6.300 1.00 0.00 C ATOM 456 O GLU A 35 -13.621 5.118 -5.542 1.00 0.00 O ATOM 457 CB GLU A 35 -14.418 4.527 -8.755 1.00 0.00 C ATOM 458 CG GLU A 35 -15.663 3.662 -8.852 1.00 0.00 C ATOM 459 CD GLU A 35 -16.509 3.990 -10.067 1.00 0.00 C ATOM 460 OE1 GLU A 35 -17.307 4.948 -9.992 1.00 0.00 O ATOM 461 OE2 GLU A 35 -16.373 3.290 -11.092 1.00 0.00 O ATOM 0 H GLU A 35 -13.437 2.263 -8.771 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.521 4.662 -7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.715 5.553 -8.537 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.918 4.539 -9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.370 2.613 -8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -16.262 3.792 -7.951 1.00 0.00 H new ATOM 468 N GLN A 36 -15.014 3.405 -5.975 1.00 0.00 N ATOM 469 CA GLN A 36 -15.679 3.474 -4.679 1.00 0.00 C ATOM 470 C GLN A 36 -14.675 3.759 -3.567 1.00 0.00 C ATOM 471 O GLN A 36 -15.011 4.374 -2.555 1.00 0.00 O ATOM 472 CB GLN A 36 -16.420 2.168 -4.391 1.00 0.00 C ATOM 473 CG GLN A 36 -16.999 2.093 -2.988 1.00 0.00 C ATOM 474 CD GLN A 36 -17.597 0.735 -2.674 1.00 0.00 C ATOM 475 OE1 GLN A 36 -18.123 0.057 -3.557 1.00 0.00 O ATOM 476 NE2 GLN A 36 -17.518 0.331 -1.412 1.00 0.00 N ATOM 0 H GLN A 36 -15.366 2.672 -6.591 1.00 0.00 H new ATOM 0 HA GLN A 36 -16.399 4.291 -4.712 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -17.227 2.051 -5.115 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.736 1.332 -4.538 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -16.216 2.317 -2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -17.767 2.859 -2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -17.073 0.926 -0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -17.902 -0.574 -1.141 1.00 0.00 H new ATOM 485 N CYS A 37 -13.441 3.306 -3.761 1.00 0.00 N ATOM 486 CA CYS A 37 -12.386 3.510 -2.775 1.00 0.00 C ATOM 487 C CYS A 37 -12.196 4.995 -2.482 1.00 0.00 C ATOM 488 O CYS A 37 -11.796 5.778 -3.344 1.00 0.00 O ATOM 489 CB CYS A 37 -11.072 2.904 -3.270 1.00 0.00 C ATOM 490 SG CYS A 37 -10.004 2.259 -1.942 1.00 0.00 S ATOM 0 H CYS A 37 -13.147 2.795 -4.593 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.683 3.011 -1.853 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.296 2.096 -3.966 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.522 3.662 -3.828 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.183 0.977 -1.826 1.00 0.00 H new ATOM 495 N PRO A 38 -12.488 5.394 -1.235 1.00 0.00 N ATOM 496 CA PRO A 38 -12.356 6.788 -0.799 1.00 0.00 C ATOM 497 C PRO A 38 -10.900 7.230 -0.704 1.00 0.00 C ATOM 498 O PRO A 38 -10.610 8.362 -0.315 1.00 0.00 O ATOM 499 CB PRO A 38 -13.007 6.788 0.587 1.00 0.00 C ATOM 500 CG PRO A 38 -12.874 5.385 1.069 1.00 0.00 C ATOM 501 CD PRO A 38 -12.970 4.516 -0.155 1.00 0.00 C ATOM 0 HA PRO A 38 -12.818 7.481 -1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.508 7.486 1.259 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.053 7.090 0.533 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.923 5.236 1.580 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.661 5.141 1.783 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.356 3.620 -0.061 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.993 4.184 -0.333 1.00 0.00 H new ATOM 509 N ILE A 39 -9.989 6.331 -1.062 1.00 0.00 N ATOM 510 CA ILE A 39 -8.563 6.631 -1.018 1.00 0.00 C ATOM 511 C ILE A 39 -7.979 6.730 -2.423 1.00 0.00 C ATOM 512 O ILE A 39 -7.496 7.785 -2.832 1.00 0.00 O ATOM 513 CB ILE A 39 -7.788 5.562 -0.226 1.00 0.00 C ATOM 514 CG1 ILE A 39 -8.357 5.431 1.188 1.00 0.00 C ATOM 515 CG2 ILE A 39 -6.307 5.910 -0.176 1.00 0.00 C ATOM 516 CD1 ILE A 39 -7.889 4.190 1.915 1.00 0.00 C ATOM 0 H ILE A 39 -10.213 5.390 -1.385 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.457 7.592 -0.515 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.900 4.604 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.075 6.310 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.446 5.422 1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.772 5.145 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.910 5.958 -1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.177 6.877 0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.332 4.163 2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.195 3.305 1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.803 4.207 2.001 1.00 0.00 H new ATOM 528 N GLU A 40 -8.030 5.623 -3.158 1.00 0.00 N ATOM 529 CA GLU A 40 -7.506 5.586 -4.519 1.00 0.00 C ATOM 530 C GLU A 40 -6.110 6.200 -4.581 1.00 0.00 C ATOM 531 O GLU A 40 -5.759 6.871 -5.552 1.00 0.00 O ATOM 532 CB GLU A 40 -8.445 6.330 -5.471 1.00 0.00 C ATOM 533 CG GLU A 40 -9.736 5.582 -5.759 1.00 0.00 C ATOM 534 CD GLU A 40 -10.694 6.382 -6.621 1.00 0.00 C ATOM 535 OE1 GLU A 40 -11.432 7.222 -6.063 1.00 0.00 O ATOM 536 OE2 GLU A 40 -10.706 6.169 -7.851 1.00 0.00 O ATOM 0 H GLU A 40 -8.428 4.741 -2.835 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.440 4.543 -4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.686 7.303 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.925 6.515 -6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.503 4.641 -6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.224 5.331 -4.817 1.00 0.00 H new ATOM 543 N TRP A 41 -5.321 5.966 -3.540 1.00 0.00 N ATOM 544 CA TRP A 41 -3.963 6.496 -3.476 1.00 0.00 C ATOM 545 C TRP A 41 -3.149 5.780 -2.404 1.00 0.00 C ATOM 546 O TRP A 41 -3.438 5.892 -1.212 1.00 0.00 O ATOM 547 CB TRP A 41 -3.994 7.999 -3.191 1.00 0.00 C ATOM 548 CG TRP A 41 -4.554 8.806 -4.322 1.00 0.00 C ATOM 549 CD1 TRP A 41 -5.698 9.552 -4.309 1.00 0.00 C ATOM 550 CD2 TRP A 41 -3.996 8.947 -5.633 1.00 0.00 C ATOM 551 NE1 TRP A 41 -5.884 10.148 -5.533 1.00 0.00 N ATOM 552 CE2 TRP A 41 -4.853 9.794 -6.363 1.00 0.00 C ATOM 553 CE3 TRP A 41 -2.854 8.443 -6.261 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -4.604 10.144 -7.687 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -2.608 8.791 -7.576 1.00 0.00 C ATOM 556 CH2 TRP A 41 -3.479 9.635 -8.277 1.00 0.00 C ATOM 0 H TRP A 41 -5.597 5.413 -2.728 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.487 6.325 -4.442 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.589 8.180 -2.296 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -2.982 8.342 -2.976 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.359 9.658 -3.462 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.664 10.756 -5.783 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.176 7.793 -5.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.275 10.794 -8.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.729 8.406 -8.071 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.258 9.889 -9.303 1.00 0.00 H new ATOM 567 N PHE A 42 -2.130 5.044 -2.835 1.00 0.00 N ATOM 568 CA PHE A 42 -1.274 4.308 -1.911 1.00 0.00 C ATOM 569 C PHE A 42 0.163 4.260 -2.422 1.00 0.00 C ATOM 570 O PHE A 42 0.403 4.208 -3.629 1.00 0.00 O ATOM 571 CB PHE A 42 -1.805 2.886 -1.713 1.00 0.00 C ATOM 572 CG PHE A 42 -3.249 2.837 -1.303 1.00 0.00 C ATOM 573 CD1 PHE A 42 -4.255 2.881 -2.255 1.00 0.00 C ATOM 574 CD2 PHE A 42 -3.600 2.747 0.034 1.00 0.00 C ATOM 575 CE1 PHE A 42 -5.585 2.836 -1.881 1.00 0.00 C ATOM 576 CE2 PHE A 42 -4.928 2.701 0.414 1.00 0.00 C ATOM 577 CZ PHE A 42 -5.922 2.746 -0.545 1.00 0.00 C ATOM 0 H PHE A 42 -1.877 4.941 -3.818 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.283 4.828 -0.953 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.680 2.328 -2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.203 2.384 -0.955 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.997 2.951 -3.301 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.827 2.712 0.788 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.360 2.871 -2.633 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.189 2.630 1.460 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.960 2.711 -0.250 1.00 0.00 H new ATOM 587 N HIS A 43 1.115 4.279 -1.495 1.00 0.00 N ATOM 588 CA HIS A 43 2.529 4.237 -1.850 1.00 0.00 C ATOM 589 C HIS A 43 2.904 2.876 -2.428 1.00 0.00 C ATOM 590 O HIS A 43 2.217 1.881 -2.198 1.00 0.00 O ATOM 591 CB HIS A 43 3.393 4.540 -0.626 1.00 0.00 C ATOM 592 CG HIS A 43 2.994 5.791 0.094 1.00 0.00 C ATOM 593 ND1 HIS A 43 2.459 5.790 1.365 1.00 0.00 N ATOM 594 CD2 HIS A 43 3.056 7.089 -0.284 1.00 0.00 C ATOM 595 CE1 HIS A 43 2.207 7.032 1.736 1.00 0.00 C ATOM 596 NE2 HIS A 43 2.561 7.840 0.753 1.00 0.00 N ATOM 0 H HIS A 43 0.933 4.323 -0.492 1.00 0.00 H new ATOM 0 HA HIS A 43 2.710 4.997 -2.610 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.337 3.699 0.065 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.434 4.627 -0.939 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.426 7.464 -1.227 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.784 7.335 2.682 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.480 8.857 0.763 1.00 0.00 H new ATOM 604 N PHE A 44 3.999 2.840 -3.181 1.00 0.00 N ATOM 605 CA PHE A 44 4.465 1.601 -3.794 1.00 0.00 C ATOM 606 C PHE A 44 5.054 0.663 -2.744 1.00 0.00 C ATOM 607 O PHE A 44 4.504 -0.403 -2.471 1.00 0.00 O ATOM 608 CB PHE A 44 5.510 1.901 -4.870 1.00 0.00 C ATOM 609 CG PHE A 44 4.916 2.365 -6.169 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.925 3.333 -6.187 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.350 1.834 -7.373 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.376 3.761 -7.381 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.805 2.259 -8.571 1.00 0.00 C ATOM 614 CZ PHE A 44 3.818 3.224 -8.574 1.00 0.00 C ATOM 0 H PHE A 44 4.580 3.654 -3.381 1.00 0.00 H new ATOM 0 HA PHE A 44 3.609 1.109 -4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.193 2.665 -4.499 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.102 1.004 -5.050 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.577 3.758 -5.257 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.123 1.080 -7.376 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.602 4.514 -7.381 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.151 1.837 -9.503 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.392 3.559 -9.508 1.00 0.00 H new ATOM 624 N SER A 45 6.177 1.069 -2.160 1.00 0.00 N ATOM 625 CA SER A 45 6.844 0.264 -1.144 1.00 0.00 C ATOM 626 C SER A 45 5.828 -0.372 -0.201 1.00 0.00 C ATOM 627 O SER A 45 5.995 -1.512 0.233 1.00 0.00 O ATOM 628 CB SER A 45 7.828 1.123 -0.347 1.00 0.00 C ATOM 629 OG SER A 45 8.540 0.341 0.596 1.00 0.00 O ATOM 0 H SER A 45 6.644 1.951 -2.373 1.00 0.00 H new ATOM 0 HA SER A 45 7.393 -0.531 -1.649 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.529 1.605 -1.028 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.288 1.917 0.168 1.00 0.00 H new ATOM 0 HG SER A 45 9.163 0.913 1.091 1.00 0.00 H new ATOM 635 N CYS A 46 4.773 0.373 0.111 1.00 0.00 N ATOM 636 CA CYS A 46 3.728 -0.116 1.003 1.00 0.00 C ATOM 637 C CYS A 46 3.010 -1.316 0.392 1.00 0.00 C ATOM 638 O CYS A 46 2.882 -2.365 1.025 1.00 0.00 O ATOM 639 CB CYS A 46 2.721 0.997 1.301 1.00 0.00 C ATOM 640 SG CYS A 46 3.201 2.083 2.682 1.00 0.00 S ATOM 0 H CYS A 46 4.619 1.318 -0.241 1.00 0.00 H new ATOM 0 HA CYS A 46 4.198 -0.431 1.935 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.590 1.603 0.405 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.754 0.547 1.526 1.00 0.00 H new ATOM 0 HG CYS A 46 2.277 2.977 2.872 1.00 0.00 H new ATOM 645 N VAL A 47 2.542 -1.155 -0.841 1.00 0.00 N ATOM 646 CA VAL A 47 1.838 -2.225 -1.538 1.00 0.00 C ATOM 647 C VAL A 47 2.810 -3.110 -2.310 1.00 0.00 C ATOM 648 O VAL A 47 2.459 -3.682 -3.342 1.00 0.00 O ATOM 649 CB VAL A 47 0.787 -1.662 -2.514 1.00 0.00 C ATOM 650 CG1 VAL A 47 -0.298 -0.913 -1.756 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.447 -0.762 -3.547 1.00 0.00 C ATOM 0 H VAL A 47 2.638 -0.293 -1.378 1.00 0.00 H new ATOM 0 HA VAL A 47 1.334 -2.821 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 47 0.320 -2.496 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.031 -0.522 -2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.790 -1.592 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.149 -0.087 -1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.690 -0.373 -4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.942 0.068 -3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.183 -1.335 -4.111 1.00 0.00 H new ATOM 661 N SER A 48 4.034 -3.219 -1.803 1.00 0.00 N ATOM 662 CA SER A 48 5.058 -4.032 -2.447 1.00 0.00 C ATOM 663 C SER A 48 5.045 -3.826 -3.958 1.00 0.00 C ATOM 664 O SER A 48 4.973 -4.786 -4.727 1.00 0.00 O ATOM 665 CB SER A 48 4.844 -5.512 -2.120 1.00 0.00 C ATOM 666 OG SER A 48 5.914 -6.302 -2.610 1.00 0.00 O ATOM 0 H SER A 48 4.340 -2.754 -0.948 1.00 0.00 H new ATOM 0 HA SER A 48 6.029 -3.719 -2.064 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.757 -5.641 -1.041 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.906 -5.853 -2.558 1.00 0.00 H new ATOM 0 HG SER A 48 5.977 -6.201 -3.583 1.00 0.00 H new ATOM 672 N LEU A 49 5.116 -2.568 -4.378 1.00 0.00 N ATOM 673 CA LEU A 49 5.113 -2.234 -5.798 1.00 0.00 C ATOM 674 C LEU A 49 6.472 -1.696 -6.234 1.00 0.00 C ATOM 675 O LEU A 49 7.081 -0.880 -5.542 1.00 0.00 O ATOM 676 CB LEU A 49 4.024 -1.202 -6.097 1.00 0.00 C ATOM 677 CG LEU A 49 2.687 -1.759 -6.584 1.00 0.00 C ATOM 678 CD1 LEU A 49 1.694 -0.632 -6.823 1.00 0.00 C ATOM 679 CD2 LEU A 49 2.880 -2.579 -7.852 1.00 0.00 C ATOM 0 H LEU A 49 5.176 -1.762 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 49 4.906 -3.145 -6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.845 -0.620 -5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.403 -0.511 -6.850 1.00 0.00 H new ATOM 0 HG LEU A 49 2.285 -2.413 -5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.748 -1.048 -7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.532 -0.087 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.090 0.047 -7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.917 -2.968 -8.184 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.305 -1.948 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.556 -3.410 -7.649 1.00 0.00 H new ATOM 691 N THR A 50 6.943 -2.158 -7.389 1.00 0.00 N ATOM 692 CA THR A 50 8.229 -1.724 -7.918 1.00 0.00 C ATOM 693 C THR A 50 8.051 -0.638 -8.973 1.00 0.00 C ATOM 694 O THR A 50 8.895 0.248 -9.115 1.00 0.00 O ATOM 695 CB THR A 50 9.009 -2.900 -8.536 1.00 0.00 C ATOM 696 OG1 THR A 50 9.095 -3.978 -7.597 1.00 0.00 O ATOM 697 CG2 THR A 50 10.407 -2.466 -8.947 1.00 0.00 C ATOM 0 H THR A 50 6.452 -2.833 -7.975 1.00 0.00 H new ATOM 0 HA THR A 50 8.796 -1.323 -7.078 1.00 0.00 H new ATOM 0 HB THR A 50 8.474 -3.235 -9.425 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.591 -4.722 -7.998 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.938 -3.313 -9.381 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.338 -1.666 -9.684 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.949 -2.107 -8.072 1.00 0.00 H new ATOM 705 N TYR A 51 6.949 -0.711 -9.711 1.00 0.00 N ATOM 706 CA TYR A 51 6.661 0.266 -10.754 1.00 0.00 C ATOM 707 C TYR A 51 5.196 0.198 -11.175 1.00 0.00 C ATOM 708 O TYR A 51 4.561 -0.854 -11.091 1.00 0.00 O ATOM 709 CB TYR A 51 7.563 0.028 -11.967 1.00 0.00 C ATOM 710 CG TYR A 51 7.676 -1.427 -12.362 1.00 0.00 C ATOM 711 CD1 TYR A 51 8.612 -2.259 -11.760 1.00 0.00 C ATOM 712 CD2 TYR A 51 6.848 -1.969 -13.337 1.00 0.00 C ATOM 713 CE1 TYR A 51 8.720 -3.589 -12.119 1.00 0.00 C ATOM 714 CE2 TYR A 51 6.948 -3.298 -13.700 1.00 0.00 C ATOM 715 CZ TYR A 51 7.885 -4.104 -13.089 1.00 0.00 C ATOM 716 OH TYR A 51 7.988 -5.428 -13.449 1.00 0.00 O ATOM 0 H TYR A 51 6.240 -1.437 -9.606 1.00 0.00 H new ATOM 0 HA TYR A 51 6.859 1.259 -10.351 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.177 0.596 -12.813 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.559 0.415 -11.750 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.266 -1.860 -10.999 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.114 -1.341 -13.819 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.454 -4.222 -11.643 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.295 -3.704 -14.459 1.00 0.00 H new ATOM 0 HH TYR A 51 7.327 -5.630 -14.144 1.00 0.00 H new ATOM 726 N LYS A 52 4.665 1.328 -11.629 1.00 0.00 N ATOM 727 CA LYS A 52 3.276 1.399 -12.066 1.00 0.00 C ATOM 728 C LYS A 52 2.850 0.099 -12.740 1.00 0.00 C ATOM 729 O LYS A 52 3.414 -0.318 -13.752 1.00 0.00 O ATOM 730 CB LYS A 52 3.082 2.573 -13.029 1.00 0.00 C ATOM 731 CG LYS A 52 2.565 3.833 -12.357 1.00 0.00 C ATOM 732 CD LYS A 52 1.064 3.767 -12.131 1.00 0.00 C ATOM 733 CE LYS A 52 0.566 4.970 -11.343 1.00 0.00 C ATOM 734 NZ LYS A 52 -0.921 5.015 -11.282 1.00 0.00 N ATOM 0 H LYS A 52 5.176 2.208 -11.704 1.00 0.00 H new ATOM 0 HA LYS A 52 2.652 1.552 -11.186 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.032 2.794 -13.515 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.385 2.277 -13.813 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.072 3.972 -11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.804 4.700 -12.974 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.552 3.723 -13.092 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.815 2.851 -11.595 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.970 4.934 -10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.939 5.885 -11.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.221 5.848 -10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.306 5.075 -12.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.276 4.153 -10.820 1.00 0.00 H new ATOM 748 N PRO A 53 1.829 -0.557 -12.170 1.00 0.00 N ATOM 749 CA PRO A 53 1.303 -1.819 -12.700 1.00 0.00 C ATOM 750 C PRO A 53 0.570 -1.630 -14.024 1.00 0.00 C ATOM 751 O PRO A 53 -0.267 -0.737 -14.161 1.00 0.00 O ATOM 752 CB PRO A 53 0.331 -2.284 -11.613 1.00 0.00 C ATOM 753 CG PRO A 53 -0.084 -1.034 -10.916 1.00 0.00 C ATOM 754 CD PRO A 53 1.108 -0.118 -10.963 1.00 0.00 C ATOM 0 HA PRO A 53 2.098 -2.534 -12.914 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.527 -2.801 -12.044 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.810 -2.981 -10.925 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.944 -0.580 -11.408 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.377 -1.240 -9.887 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.809 0.928 -11.032 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.724 -0.215 -10.069 1.00 0.00 H new ATOM 762 N LYS A 54 0.889 -2.476 -14.997 1.00 0.00 N ATOM 763 CA LYS A 54 0.260 -2.405 -16.311 1.00 0.00 C ATOM 764 C LYS A 54 -1.168 -2.937 -16.260 1.00 0.00 C ATOM 765 O LYS A 54 -1.411 -4.046 -15.786 1.00 0.00 O ATOM 766 CB LYS A 54 1.076 -3.199 -17.334 1.00 0.00 C ATOM 767 CG LYS A 54 2.469 -2.641 -17.566 1.00 0.00 C ATOM 768 CD LYS A 54 2.485 -1.634 -18.703 1.00 0.00 C ATOM 769 CE LYS A 54 2.329 -0.211 -18.189 1.00 0.00 C ATOM 770 NZ LYS A 54 3.476 0.197 -17.331 1.00 0.00 N ATOM 0 H LYS A 54 1.580 -3.220 -14.901 1.00 0.00 H new ATOM 0 HA LYS A 54 0.228 -1.359 -16.615 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.159 -4.232 -16.997 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.538 -3.215 -18.282 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.828 -2.166 -16.653 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.156 -3.457 -17.792 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.421 -1.722 -19.255 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.680 -1.860 -19.402 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.246 0.473 -19.033 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.403 -0.130 -17.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.602 1.228 -17.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.287 -0.076 -16.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.342 -0.276 -17.661 1.00 0.00 H new ATOM 784 N GLY A 55 -2.111 -2.139 -16.753 1.00 0.00 N ATOM 785 CA GLY A 55 -3.503 -2.548 -16.755 1.00 0.00 C ATOM 786 C GLY A 55 -4.296 -1.913 -15.630 1.00 0.00 C ATOM 787 O GLY A 55 -4.619 -0.726 -15.681 1.00 0.00 O ATOM 0 H GLY A 55 -1.935 -1.216 -17.151 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.955 -2.281 -17.710 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.560 -3.633 -16.668 1.00 0.00 H new ATOM 791 N LYS A 56 -4.612 -2.705 -14.611 1.00 0.00 N ATOM 792 CA LYS A 56 -5.372 -2.214 -13.468 1.00 0.00 C ATOM 793 C LYS A 56 -4.745 -2.679 -12.157 1.00 0.00 C ATOM 794 O LYS A 56 -4.045 -3.690 -12.118 1.00 0.00 O ATOM 795 CB LYS A 56 -6.823 -2.695 -13.549 1.00 0.00 C ATOM 796 CG LYS A 56 -7.543 -2.244 -14.808 1.00 0.00 C ATOM 797 CD LYS A 56 -7.829 -0.752 -14.782 1.00 0.00 C ATOM 798 CE LYS A 56 -8.796 -0.350 -15.885 1.00 0.00 C ATOM 799 NZ LYS A 56 -9.126 1.101 -15.832 1.00 0.00 N ATOM 0 H LYS A 56 -4.353 -3.690 -14.554 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.354 -1.124 -13.493 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.839 -3.784 -13.501 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.367 -2.330 -12.678 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.936 -2.484 -15.681 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.479 -2.793 -14.910 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.246 -0.477 -13.813 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.896 -0.200 -14.895 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.360 -0.588 -16.855 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.712 -0.934 -15.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.787 1.335 -16.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.566 1.324 -14.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.256 1.659 -15.943 1.00 0.00 H new ATOM 813 N TRP A 57 -5.001 -1.934 -11.088 1.00 0.00 N ATOM 814 CA TRP A 57 -4.462 -2.271 -9.775 1.00 0.00 C ATOM 815 C TRP A 57 -5.493 -2.014 -8.681 1.00 0.00 C ATOM 816 O TRP A 57 -5.941 -0.884 -8.491 1.00 0.00 O ATOM 817 CB TRP A 57 -3.194 -1.461 -9.498 1.00 0.00 C ATOM 818 CG TRP A 57 -2.601 -1.730 -8.149 1.00 0.00 C ATOM 819 CD1 TRP A 57 -1.655 -2.666 -7.841 1.00 0.00 C ATOM 820 CD2 TRP A 57 -2.915 -1.056 -6.925 1.00 0.00 C ATOM 821 NE1 TRP A 57 -1.362 -2.615 -6.499 1.00 0.00 N ATOM 822 CE2 TRP A 57 -2.121 -1.635 -5.915 1.00 0.00 C ATOM 823 CE3 TRP A 57 -3.787 -0.019 -6.584 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -2.177 -1.211 -4.590 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -3.842 0.400 -5.269 1.00 0.00 C ATOM 826 CH2 TRP A 57 -3.040 -0.194 -4.285 1.00 0.00 C ATOM 0 H TRP A 57 -5.578 -1.093 -11.104 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.214 -3.332 -9.773 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.453 -1.687 -10.264 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.425 -0.399 -9.580 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.204 -3.346 -8.548 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.689 -3.210 -6.016 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.407 0.447 -7.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.561 -1.669 -3.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.515 1.199 -4.994 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -3.104 0.158 -3.266 1.00 0.00 H new ATOM 837 N TYR A 58 -5.864 -3.070 -7.965 1.00 0.00 N ATOM 838 CA TYR A 58 -6.844 -2.958 -6.891 1.00 0.00 C ATOM 839 C TYR A 58 -6.171 -3.069 -5.526 1.00 0.00 C ATOM 840 O TYR A 58 -5.648 -4.123 -5.162 1.00 0.00 O ATOM 841 CB TYR A 58 -7.914 -4.042 -7.034 1.00 0.00 C ATOM 842 CG TYR A 58 -8.920 -3.759 -8.127 1.00 0.00 C ATOM 843 CD1 TYR A 58 -8.668 -4.127 -9.443 1.00 0.00 C ATOM 844 CD2 TYR A 58 -10.122 -3.121 -7.844 1.00 0.00 C ATOM 845 CE1 TYR A 58 -9.584 -3.870 -10.444 1.00 0.00 C ATOM 846 CE2 TYR A 58 -11.044 -2.861 -8.839 1.00 0.00 C ATOM 847 CZ TYR A 58 -10.771 -3.237 -10.138 1.00 0.00 C ATOM 848 OH TYR A 58 -11.686 -2.979 -11.132 1.00 0.00 O ATOM 0 H TYR A 58 -5.501 -4.012 -8.109 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.316 -1.978 -6.965 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.428 -4.996 -7.237 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.441 -4.148 -6.086 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.740 -4.622 -9.687 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.339 -2.823 -6.829 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.372 -4.163 -11.462 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.974 -2.366 -8.601 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.220 -2.650 -11.929 1.00 0.00 H new ATOM 858 N CYS A 59 -6.190 -1.974 -4.774 1.00 0.00 N ATOM 859 CA CYS A 59 -5.583 -1.945 -3.449 1.00 0.00 C ATOM 860 C CYS A 59 -5.910 -3.218 -2.673 1.00 0.00 C ATOM 861 O CYS A 59 -6.903 -3.897 -2.936 1.00 0.00 O ATOM 862 CB CYS A 59 -6.067 -0.721 -2.669 1.00 0.00 C ATOM 863 SG CYS A 59 -7.648 -0.972 -1.799 1.00 0.00 S ATOM 0 H CYS A 59 -6.620 -1.094 -5.060 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.502 -1.883 -3.574 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.305 -0.442 -1.942 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.172 0.117 -3.358 1.00 0.00 H new ATOM 0 HG CYS A 59 -7.973 0.117 -1.168 1.00 0.00 H new ATOM 868 N PRO A 60 -5.056 -3.550 -1.694 1.00 0.00 N ATOM 869 CA PRO A 60 -5.233 -4.742 -0.859 1.00 0.00 C ATOM 870 C PRO A 60 -6.422 -4.615 0.087 1.00 0.00 C ATOM 871 O PRO A 60 -6.848 -5.594 0.701 1.00 0.00 O ATOM 872 CB PRO A 60 -3.925 -4.817 -0.067 1.00 0.00 C ATOM 873 CG PRO A 60 -3.424 -3.415 -0.028 1.00 0.00 C ATOM 874 CD PRO A 60 -3.852 -2.786 -1.325 1.00 0.00 C ATOM 0 HA PRO A 60 -5.438 -5.631 -1.455 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.092 -5.206 0.938 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.207 -5.480 -0.550 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.840 -2.876 0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.339 -3.391 0.078 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.071 -1.725 -1.204 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.076 -2.867 -2.086 1.00 0.00 H new ATOM 882 N LYS A 61 -6.956 -3.404 0.201 1.00 0.00 N ATOM 883 CA LYS A 61 -8.098 -3.149 1.071 1.00 0.00 C ATOM 884 C LYS A 61 -9.403 -3.538 0.384 1.00 0.00 C ATOM 885 O LYS A 61 -10.383 -3.887 1.042 1.00 0.00 O ATOM 886 CB LYS A 61 -8.141 -1.672 1.471 1.00 0.00 C ATOM 887 CG LYS A 61 -8.644 -1.440 2.885 1.00 0.00 C ATOM 888 CD LYS A 61 -8.873 0.037 3.159 1.00 0.00 C ATOM 889 CE LYS A 61 -10.180 0.521 2.551 1.00 0.00 C ATOM 890 NZ LYS A 61 -11.363 -0.024 3.273 1.00 0.00 N ATOM 0 H LYS A 61 -6.616 -2.583 -0.299 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.983 -3.759 1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.141 -1.249 1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.782 -1.134 0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.574 -1.988 3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.922 -1.836 3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.885 0.211 4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.044 0.616 2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.210 1.610 2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.225 0.224 1.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.206 0.535 3.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.513 -1.015 2.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.198 0.027 4.298 1.00 0.00 H new ATOM 904 N CYS A 62 -9.408 -3.479 -0.944 1.00 0.00 N ATOM 905 CA CYS A 62 -10.592 -3.826 -1.721 1.00 0.00 C ATOM 906 C CYS A 62 -10.523 -5.274 -2.199 1.00 0.00 C ATOM 907 O CYS A 62 -11.421 -6.071 -1.926 1.00 0.00 O ATOM 908 CB CYS A 62 -10.734 -2.887 -2.921 1.00 0.00 C ATOM 909 SG CYS A 62 -11.256 -1.197 -2.485 1.00 0.00 S ATOM 0 H CYS A 62 -8.605 -3.194 -1.504 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.464 -3.715 -1.077 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -9.779 -2.837 -3.445 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.458 -3.311 -3.617 1.00 0.00 H new ATOM 0 HG CYS A 62 -12.202 -0.814 -3.290 1.00 0.00 H new ATOM 914 N ARG A 63 -9.452 -5.605 -2.912 1.00 0.00 N ATOM 915 CA ARG A 63 -9.267 -6.956 -3.429 1.00 0.00 C ATOM 916 C ARG A 63 -9.295 -7.979 -2.297 1.00 0.00 C ATOM 917 O ARG A 63 -9.664 -9.135 -2.501 1.00 0.00 O ATOM 918 CB ARG A 63 -7.943 -7.056 -4.189 1.00 0.00 C ATOM 919 CG ARG A 63 -6.721 -7.071 -3.285 1.00 0.00 C ATOM 920 CD ARG A 63 -5.559 -7.810 -3.930 1.00 0.00 C ATOM 921 NE ARG A 63 -4.495 -8.100 -2.973 1.00 0.00 N ATOM 922 CZ ARG A 63 -3.229 -8.302 -3.321 1.00 0.00 C ATOM 923 NH1 ARG A 63 -2.871 -8.247 -4.596 1.00 0.00 N ATOM 924 NH2 ARG A 63 -2.318 -8.560 -2.392 1.00 0.00 N ATOM 0 H ARG A 63 -8.699 -4.957 -3.145 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.088 -7.173 -4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.948 -7.963 -4.793 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.865 -6.215 -4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.422 -6.048 -3.059 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.974 -7.546 -2.337 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.919 -8.742 -4.365 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.158 -7.211 -4.748 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.737 -8.150 -1.983 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.568 -8.049 -5.313 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.898 -8.403 -4.860 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.589 -8.603 -1.410 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.346 -8.715 -2.660 1.00 0.00 H new