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 142:sc= -0.75 USER MOD Set 1.2: A 34 ASN : amide:sc= -0.0096 X(o=0.21,f=0.31) USER MOD Set 1.3: A 37 CYS SG : rot 98:sc= 0.838 USER MOD Set 1.4: A 59 CYS SG : rot -140:sc= -0.495 USER MOD Set 1.5: A 62 CYS SG : rot -90:sc= 0.622 USER MOD Set 2.1: A 19 CYS SG : rot 165:sc= 1.06 USER MOD Set 2.2: A 21 CYS SG : rot -76:sc= -0.572 USER MOD Set 2.3: A 26 TYR OH : rot 53:sc=0.000897 USER MOD Set 2.4: A 29 MET CE :methyl -139:sc= -3.85! (180deg=-4.6!) USER MOD Set 2.5: A 43 HIS : no HD1:sc= -1.7 K(o=-5.1,f=-10!) USER MOD Set 2.6: A 46 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 17 THR OG1 : rot 146:sc= 0.0139 USER MOD Set 3.2: A 22 ASN : amide:sc= 0.243 X(o=0.26,f=-0.024) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.421 K(o=-0.42,f=-3.9!) USER MOD Single : A 25 SER OG : rot 71:sc= 1.28 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 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+ 154:sc= -0.737 (180deg=-1.71!) USER MOD Single : A 56 LYS NZ :NH3+ 160:sc= -0.0326 (180deg=-0.242) USER MOD Single : A 58 TYR OH : rot -126:sc= 0.903 USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0219) USER MOD ----------------------------------------------------------------- ATOM 185 N PRO A 16 -4.390 15.296 4.825 1.00 0.00 N ATOM 186 CA PRO A 16 -5.058 14.043 5.188 1.00 0.00 C ATOM 187 C PRO A 16 -4.205 12.819 4.872 1.00 0.00 C ATOM 188 O PRO A 16 -3.186 12.919 4.188 1.00 0.00 O ATOM 189 CB PRO A 16 -6.322 14.051 4.324 1.00 0.00 C ATOM 190 CG PRO A 16 -5.976 14.906 3.155 1.00 0.00 C ATOM 191 CD PRO A 16 -5.030 15.954 3.673 1.00 0.00 C ATOM 0 HA PRO A 16 -5.257 13.983 6.258 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.594 13.043 4.011 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.173 14.455 4.872 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.511 14.317 2.365 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.869 15.363 2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.299 16.244 2.918 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.558 16.860 3.970 1.00 0.00 H new ATOM 199 N THR A 17 -4.627 11.663 5.375 1.00 0.00 N ATOM 200 CA THR A 17 -3.901 10.420 5.147 1.00 0.00 C ATOM 201 C THR A 17 -4.665 9.503 4.198 1.00 0.00 C ATOM 202 O THR A 17 -5.867 9.291 4.358 1.00 0.00 O ATOM 203 CB THR A 17 -3.641 9.671 6.468 1.00 0.00 C ATOM 204 OG1 THR A 17 -4.884 9.297 7.072 1.00 0.00 O ATOM 205 CG2 THR A 17 -2.843 10.535 7.432 1.00 0.00 C ATOM 0 H THR A 17 -5.468 11.562 5.943 1.00 0.00 H new ATOM 0 HA THR A 17 -2.946 10.690 4.697 1.00 0.00 H new ATOM 0 HB THR A 17 -3.062 8.775 6.244 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.777 8.441 7.536 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.672 9.985 8.357 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.885 10.794 6.981 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.399 11.447 7.650 1.00 0.00 H new ATOM 213 N TYR A 18 -3.960 8.962 3.211 1.00 0.00 N ATOM 214 CA TYR A 18 -4.573 8.069 2.235 1.00 0.00 C ATOM 215 C TYR A 18 -4.043 6.647 2.390 1.00 0.00 C ATOM 216 O TYR A 18 -4.790 5.725 2.722 1.00 0.00 O ATOM 217 CB TYR A 18 -4.307 8.572 0.815 1.00 0.00 C ATOM 218 CG TYR A 18 -4.843 9.962 0.555 1.00 0.00 C ATOM 219 CD1 TYR A 18 -4.230 11.079 1.108 1.00 0.00 C ATOM 220 CD2 TYR A 18 -5.963 10.157 -0.244 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.717 12.350 0.874 1.00 0.00 C ATOM 222 CE2 TYR A 18 -6.455 11.425 -0.485 1.00 0.00 C ATOM 223 CZ TYR A 18 -5.829 12.518 0.077 1.00 0.00 C ATOM 224 OH TYR A 18 -6.317 13.783 -0.160 1.00 0.00 O ATOM 0 H TYR A 18 -2.964 9.126 3.066 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.648 8.059 2.414 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.233 8.566 0.632 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.756 7.879 0.103 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.358 10.951 1.732 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.457 9.303 -0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.229 13.208 1.313 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.325 11.560 -1.110 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.104 13.726 -0.742 1.00 0.00 H new ATOM 234 N CYS A 19 -2.747 6.475 2.148 1.00 0.00 N ATOM 235 CA CYS A 19 -2.115 5.167 2.260 1.00 0.00 C ATOM 236 C CYS A 19 -2.577 4.445 3.523 1.00 0.00 C ATOM 237 O CYS A 19 -2.988 5.077 4.497 1.00 0.00 O ATOM 238 CB CYS A 19 -0.592 5.313 2.272 1.00 0.00 C ATOM 239 SG CYS A 19 0.308 3.740 2.080 1.00 0.00 S ATOM 0 H CYS A 19 -2.114 7.226 1.873 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.410 4.574 1.395 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.296 5.989 1.469 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.290 5.780 3.209 1.00 0.00 H new ATOM 0 HG CYS A 19 1.551 3.984 1.786 1.00 0.00 H new ATOM 244 N LEU A 20 -2.506 3.119 3.499 1.00 0.00 N ATOM 245 CA LEU A 20 -2.917 2.310 4.641 1.00 0.00 C ATOM 246 C LEU A 20 -2.187 2.746 5.908 1.00 0.00 C ATOM 247 O LEU A 20 -2.775 2.801 6.988 1.00 0.00 O ATOM 248 CB LEU A 20 -2.647 0.830 4.367 1.00 0.00 C ATOM 249 CG LEU A 20 -3.181 0.284 3.042 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.298 -0.845 2.535 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.618 -0.191 3.202 1.00 0.00 C ATOM 0 H LEU A 20 -2.168 2.581 2.701 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.987 2.456 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.570 0.666 4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.081 0.246 5.179 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.165 1.088 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.694 -1.221 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.285 -0.474 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.281 -1.651 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.982 -0.576 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.659 -0.981 3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.244 0.643 3.519 1.00 0.00 H new ATOM 263 N CYS A 21 -0.903 3.057 5.767 1.00 0.00 N ATOM 264 CA CYS A 21 -0.092 3.490 6.898 1.00 0.00 C ATOM 265 C CYS A 21 -0.652 4.770 7.511 1.00 0.00 C ATOM 266 O CYS A 21 -0.197 5.218 8.562 1.00 0.00 O ATOM 267 CB CYS A 21 1.356 3.713 6.459 1.00 0.00 C ATOM 268 SG CYS A 21 1.554 4.978 5.163 1.00 0.00 S ATOM 0 H CYS A 21 -0.402 3.017 4.880 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.119 2.705 7.653 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.947 4.003 7.328 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.764 2.770 6.096 1.00 0.00 H new ATOM 0 HG CYS A 21 1.176 4.490 4.019 1.00 0.00 H new ATOM 273 N ASN A 22 -1.643 5.354 6.844 1.00 0.00 N ATOM 274 CA ASN A 22 -2.266 6.583 7.322 1.00 0.00 C ATOM 275 C ASN A 22 -1.264 7.733 7.329 1.00 0.00 C ATOM 276 O ASN A 22 -1.122 8.440 8.327 1.00 0.00 O ATOM 277 CB ASN A 22 -2.833 6.378 8.728 1.00 0.00 C ATOM 278 CG ASN A 22 -4.227 5.779 8.708 1.00 0.00 C ATOM 279 OD1 ASN A 22 -5.224 6.499 8.751 1.00 0.00 O ATOM 280 ND2 ASN A 22 -4.300 4.455 8.643 1.00 0.00 N ATOM 0 H ASN A 22 -2.031 4.996 5.971 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.080 6.837 6.642 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.168 5.725 9.293 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.859 7.335 9.249 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.210 3.995 8.627 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.446 3.898 8.609 1.00 0.00 H new ATOM 287 N GLN A 23 -0.573 7.915 6.208 1.00 0.00 N ATOM 288 CA GLN A 23 0.416 8.980 6.086 1.00 0.00 C ATOM 289 C GLN A 23 0.138 9.842 4.859 1.00 0.00 C ATOM 290 O GLN A 23 -0.528 9.407 3.919 1.00 0.00 O ATOM 291 CB GLN A 23 1.825 8.389 6.000 1.00 0.00 C ATOM 292 CG GLN A 23 2.367 7.912 7.338 1.00 0.00 C ATOM 293 CD GLN A 23 2.853 9.053 8.210 1.00 0.00 C ATOM 294 OE1 GLN A 23 2.287 10.146 8.196 1.00 0.00 O ATOM 295 NE2 GLN A 23 3.908 8.803 8.978 1.00 0.00 N ATOM 0 H GLN A 23 -0.680 7.340 5.372 1.00 0.00 H new ATOM 0 HA GLN A 23 0.347 9.609 6.973 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.817 7.552 5.301 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.501 9.140 5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.588 7.362 7.866 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.188 7.216 7.166 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.347 7.882 8.958 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.279 9.532 9.587 1.00 0.00 H new ATOM 304 N VAL A 24 0.652 11.067 4.874 1.00 0.00 N ATOM 305 CA VAL A 24 0.460 11.991 3.762 1.00 0.00 C ATOM 306 C VAL A 24 1.154 11.486 2.502 1.00 0.00 C ATOM 307 O VAL A 24 2.086 10.686 2.572 1.00 0.00 O ATOM 308 CB VAL A 24 0.993 13.396 4.101 1.00 0.00 C ATOM 309 CG1 VAL A 24 0.309 13.941 5.345 1.00 0.00 C ATOM 310 CG2 VAL A 24 2.503 13.362 4.283 1.00 0.00 C ATOM 0 H VAL A 24 1.205 11.443 5.644 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.613 12.052 3.582 1.00 0.00 H new ATOM 0 HB VAL A 24 0.765 14.063 3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.698 14.934 5.569 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.765 14.003 5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.503 13.277 6.187 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.863 14.363 4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.756 12.681 5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.973 13.018 3.362 1.00 0.00 H new ATOM 320 N SER A 25 0.693 11.960 1.349 1.00 0.00 N ATOM 321 CA SER A 25 1.267 11.555 0.071 1.00 0.00 C ATOM 322 C SER A 25 2.541 12.340 -0.226 1.00 0.00 C ATOM 323 O SER A 25 2.573 13.564 -0.099 1.00 0.00 O ATOM 324 CB SER A 25 0.253 11.761 -1.056 1.00 0.00 C ATOM 325 OG SER A 25 0.881 11.696 -2.325 1.00 0.00 O ATOM 0 H SER A 25 -0.077 12.625 1.274 1.00 0.00 H new ATOM 0 HA SER A 25 1.520 10.497 0.134 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.525 11.001 -0.993 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.236 12.728 -0.938 1.00 0.00 H new ATOM 0 HG SER A 25 1.146 10.771 -2.512 1.00 0.00 H new ATOM 331 N TYR A 26 3.589 11.626 -0.621 1.00 0.00 N ATOM 332 CA TYR A 26 4.867 12.254 -0.934 1.00 0.00 C ATOM 333 C TYR A 26 5.447 11.695 -2.230 1.00 0.00 C ATOM 334 O TYR A 26 5.694 12.433 -3.182 1.00 0.00 O ATOM 335 CB TYR A 26 5.857 12.044 0.213 1.00 0.00 C ATOM 336 CG TYR A 26 5.875 10.628 0.745 1.00 0.00 C ATOM 337 CD1 TYR A 26 4.948 10.209 1.691 1.00 0.00 C ATOM 338 CD2 TYR A 26 6.819 9.711 0.301 1.00 0.00 C ATOM 339 CE1 TYR A 26 4.962 8.917 2.180 1.00 0.00 C ATOM 340 CE2 TYR A 26 6.839 8.416 0.784 1.00 0.00 C ATOM 341 CZ TYR A 26 5.909 8.024 1.723 1.00 0.00 C ATOM 342 OH TYR A 26 5.925 6.736 2.207 1.00 0.00 O ATOM 0 H TYR A 26 3.579 10.612 -0.732 1.00 0.00 H new ATOM 0 HA TYR A 26 4.695 13.322 -1.066 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.858 12.308 -0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.608 12.726 1.026 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.204 10.905 2.050 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.550 10.015 -0.434 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.235 8.608 2.916 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.579 7.715 0.428 1.00 0.00 H new ATOM 0 HH TYR A 26 5.035 6.338 2.107 1.00 0.00 H new ATOM 352 N GLY A 27 5.660 10.383 -2.257 1.00 0.00 N ATOM 353 CA GLY A 27 6.208 9.745 -3.440 1.00 0.00 C ATOM 354 C GLY A 27 5.136 9.361 -4.440 1.00 0.00 C ATOM 355 O GLY A 27 3.998 9.819 -4.347 1.00 0.00 O ATOM 0 H GLY A 27 5.463 9.751 -1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.920 10.419 -3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.762 8.854 -3.145 1.00 0.00 H new ATOM 359 N GLU A 28 5.501 8.518 -5.402 1.00 0.00 N ATOM 360 CA GLU A 28 4.562 8.075 -6.426 1.00 0.00 C ATOM 361 C GLU A 28 3.522 7.127 -5.836 1.00 0.00 C ATOM 362 O GLU A 28 3.861 6.176 -5.133 1.00 0.00 O ATOM 363 CB GLU A 28 5.307 7.384 -7.569 1.00 0.00 C ATOM 364 CG GLU A 28 5.945 8.352 -8.552 1.00 0.00 C ATOM 365 CD GLU A 28 6.841 9.369 -7.872 1.00 0.00 C ATOM 366 OE1 GLU A 28 7.554 8.990 -6.920 1.00 0.00 O ATOM 367 OE2 GLU A 28 6.827 10.545 -8.292 1.00 0.00 O ATOM 0 H GLU A 28 6.439 8.129 -5.493 1.00 0.00 H new ATOM 0 HA GLU A 28 4.049 8.954 -6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.081 6.741 -7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.612 6.738 -8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.528 7.791 -9.282 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.162 8.874 -9.102 1.00 0.00 H new ATOM 374 N MET A 29 2.253 7.395 -6.127 1.00 0.00 N ATOM 375 CA MET A 29 1.163 6.566 -5.627 1.00 0.00 C ATOM 376 C MET A 29 0.233 6.147 -6.761 1.00 0.00 C ATOM 377 O MET A 29 0.096 6.857 -7.758 1.00 0.00 O ATOM 378 CB MET A 29 0.372 7.318 -4.555 1.00 0.00 C ATOM 379 CG MET A 29 1.226 7.793 -3.390 1.00 0.00 C ATOM 380 SD MET A 29 0.328 8.885 -2.271 1.00 0.00 S ATOM 381 CE MET A 29 -0.557 7.692 -1.271 1.00 0.00 C ATOM 0 H MET A 29 1.955 8.180 -6.706 1.00 0.00 H new ATOM 0 HA MET A 29 1.596 5.668 -5.186 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.116 8.179 -5.012 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.417 6.669 -4.175 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.589 6.928 -2.834 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.102 8.315 -3.776 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.572 8.047 -1.095 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.593 6.735 -1.792 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.046 7.566 -0.317 1.00 0.00 H new ATOM 391 N ILE A 30 -0.403 4.991 -6.603 1.00 0.00 N ATOM 392 CA ILE A 30 -1.320 4.480 -7.614 1.00 0.00 C ATOM 393 C ILE A 30 -2.771 4.653 -7.178 1.00 0.00 C ATOM 394 O ILE A 30 -3.074 4.670 -5.986 1.00 0.00 O ATOM 395 CB ILE A 30 -1.058 2.991 -7.909 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.580 2.122 -6.763 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.427 2.748 -8.132 1.00 0.00 C ATOM 398 CD1 ILE A 30 -0.764 2.241 -5.495 1.00 0.00 C ATOM 0 H ILE A 30 -0.300 4.391 -5.785 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.145 5.058 -8.521 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.591 2.717 -8.819 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.612 2.399 -6.549 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.590 1.080 -7.083 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.596 1.691 -8.339 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.770 3.343 -8.978 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.981 3.035 -7.238 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.191 1.598 -4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.263 1.936 -5.693 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.775 3.275 -5.151 1.00 0.00 H new ATOM 410 N GLY A 31 -3.665 4.778 -8.154 1.00 0.00 N ATOM 411 CA GLY A 31 -5.075 4.946 -7.851 1.00 0.00 C ATOM 412 C GLY A 31 -5.854 3.653 -7.983 1.00 0.00 C ATOM 413 O GLY A 31 -6.209 3.243 -9.089 1.00 0.00 O ATOM 0 H GLY A 31 -3.439 4.766 -9.148 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.182 5.329 -6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.501 5.693 -8.521 1.00 0.00 H new ATOM 417 N CYS A 32 -6.121 3.006 -6.853 1.00 0.00 N ATOM 418 CA CYS A 32 -6.861 1.750 -6.846 1.00 0.00 C ATOM 419 C CYS A 32 -7.925 1.740 -7.940 1.00 0.00 C ATOM 420 O CYS A 32 -8.817 2.588 -7.961 1.00 0.00 O ATOM 421 CB CYS A 32 -7.515 1.527 -5.481 1.00 0.00 C ATOM 422 SG CYS A 32 -8.790 0.226 -5.471 1.00 0.00 S ATOM 0 H CYS A 32 -5.835 3.332 -5.930 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.157 0.941 -7.041 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.742 1.269 -4.757 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.963 2.463 -5.148 1.00 0.00 H new ATOM 0 HG CYS A 32 -8.718 -0.443 -4.359 1.00 0.00 H new ATOM 427 N ASP A 33 -7.823 0.775 -8.847 1.00 0.00 N ATOM 428 CA ASP A 33 -8.777 0.652 -9.944 1.00 0.00 C ATOM 429 C ASP A 33 -10.194 0.952 -9.467 1.00 0.00 C ATOM 430 O ASP A 33 -10.955 1.640 -10.145 1.00 0.00 O ATOM 431 CB ASP A 33 -8.714 -0.751 -10.548 1.00 0.00 C ATOM 432 CG ASP A 33 -9.564 -0.882 -11.797 1.00 0.00 C ATOM 433 OD1 ASP A 33 -10.798 -0.731 -11.692 1.00 0.00 O ATOM 434 OD2 ASP A 33 -8.994 -1.137 -12.879 1.00 0.00 O ATOM 0 H ASP A 33 -7.089 0.066 -8.845 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.509 1.380 -10.710 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.679 -0.994 -10.789 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.047 -1.478 -9.807 1.00 0.00 H new ATOM 439 N ASN A 34 -10.542 0.428 -8.296 1.00 0.00 N ATOM 440 CA ASN A 34 -11.870 0.638 -7.729 1.00 0.00 C ATOM 441 C ASN A 34 -12.090 2.109 -7.389 1.00 0.00 C ATOM 442 O ASN A 34 -11.652 2.586 -6.343 1.00 0.00 O ATOM 443 CB ASN A 34 -12.053 -0.220 -6.475 1.00 0.00 C ATOM 444 CG ASN A 34 -13.492 -0.247 -5.999 1.00 0.00 C ATOM 445 OD1 ASN A 34 -14.406 -0.554 -6.765 1.00 0.00 O ATOM 446 ND2 ASN A 34 -13.701 0.076 -4.727 1.00 0.00 N ATOM 0 H ASN A 34 -9.924 -0.145 -7.721 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.608 0.342 -8.475 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.723 -1.238 -6.683 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.417 0.165 -5.678 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.649 0.076 -4.350 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.914 0.324 -4.128 1.00 0.00 H new ATOM 453 N GLU A 35 -12.772 2.821 -8.281 1.00 0.00 N ATOM 454 CA GLU A 35 -13.049 4.237 -8.076 1.00 0.00 C ATOM 455 C GLU A 35 -13.649 4.479 -6.693 1.00 0.00 C ATOM 456 O GLU A 35 -13.116 5.256 -5.902 1.00 0.00 O ATOM 457 CB GLU A 35 -14.003 4.755 -9.155 1.00 0.00 C ATOM 458 CG GLU A 35 -13.363 4.869 -10.528 1.00 0.00 C ATOM 459 CD GLU A 35 -14.073 5.868 -11.421 1.00 0.00 C ATOM 460 OE1 GLU A 35 -14.552 6.896 -10.899 1.00 0.00 O ATOM 461 OE2 GLU A 35 -14.149 5.621 -12.643 1.00 0.00 O ATOM 0 H GLU A 35 -13.142 2.440 -9.152 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.106 4.779 -8.145 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.863 4.088 -9.218 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.379 5.733 -8.856 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.320 5.165 -10.415 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.366 3.891 -11.009 1.00 0.00 H new ATOM 468 N GLN A 36 -14.761 3.808 -6.412 1.00 0.00 N ATOM 469 CA GLN A 36 -15.434 3.951 -5.126 1.00 0.00 C ATOM 470 C GLN A 36 -14.425 4.175 -4.005 1.00 0.00 C ATOM 471 O GLN A 36 -14.643 4.997 -3.114 1.00 0.00 O ATOM 472 CB GLN A 36 -16.278 2.710 -4.828 1.00 0.00 C ATOM 473 CG GLN A 36 -17.609 2.689 -5.562 1.00 0.00 C ATOM 474 CD GLN A 36 -18.490 1.530 -5.139 1.00 0.00 C ATOM 475 OE1 GLN A 36 -18.390 0.429 -5.681 1.00 0.00 O ATOM 476 NE2 GLN A 36 -19.360 1.772 -4.165 1.00 0.00 N ATOM 0 H GLN A 36 -15.215 3.161 -7.056 1.00 0.00 H new ATOM 0 HA GLN A 36 -16.087 4.822 -5.181 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.709 1.820 -5.099 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.463 2.656 -3.755 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -18.135 3.626 -5.379 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -17.427 2.629 -6.635 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -19.409 2.700 -3.744 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -19.979 1.030 -3.838 1.00 0.00 H new ATOM 485 N CYS A 37 -13.319 3.440 -4.055 1.00 0.00 N ATOM 486 CA CYS A 37 -12.275 3.557 -3.044 1.00 0.00 C ATOM 487 C CYS A 37 -12.008 5.021 -2.706 1.00 0.00 C ATOM 488 O CYS A 37 -11.512 5.793 -3.527 1.00 0.00 O ATOM 489 CB CYS A 37 -10.987 2.891 -3.532 1.00 0.00 C ATOM 490 SG CYS A 37 -9.954 2.205 -2.197 1.00 0.00 S ATOM 0 H CYS A 37 -13.123 2.756 -4.786 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.618 3.051 -2.142 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.245 2.091 -4.226 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.402 3.621 -4.091 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.184 0.931 -2.081 1.00 0.00 H new ATOM 495 N PRO A 38 -12.344 5.413 -1.468 1.00 0.00 N ATOM 496 CA PRO A 38 -12.149 6.785 -0.992 1.00 0.00 C ATOM 497 C PRO A 38 -10.675 7.130 -0.807 1.00 0.00 C ATOM 498 O PRO A 38 -10.336 8.230 -0.368 1.00 0.00 O ATOM 499 CB PRO A 38 -12.875 6.800 0.356 1.00 0.00 C ATOM 500 CG PRO A 38 -12.859 5.381 0.810 1.00 0.00 C ATOM 501 CD PRO A 38 -12.940 4.546 -0.438 1.00 0.00 C ATOM 0 HA PRO A 38 -12.526 7.520 -1.703 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.370 7.450 1.071 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.895 7.171 0.253 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.950 5.160 1.369 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.699 5.174 1.473 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.390 3.611 -0.332 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.970 4.284 -0.680 1.00 0.00 H new ATOM 509 N ILE A 39 -9.804 6.186 -1.145 1.00 0.00 N ATOM 510 CA ILE A 39 -8.367 6.392 -1.017 1.00 0.00 C ATOM 511 C ILE A 39 -7.711 6.554 -2.384 1.00 0.00 C ATOM 512 O ILE A 39 -7.100 7.583 -2.672 1.00 0.00 O ATOM 513 CB ILE A 39 -7.694 5.222 -0.273 1.00 0.00 C ATOM 514 CG1 ILE A 39 -8.306 5.056 1.120 1.00 0.00 C ATOM 515 CG2 ILE A 39 -6.193 5.450 -0.175 1.00 0.00 C ATOM 516 CD1 ILE A 39 -7.880 3.785 1.819 1.00 0.00 C ATOM 0 H ILE A 39 -10.068 5.271 -1.510 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.230 7.306 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.866 4.305 -0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.026 5.911 1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.393 5.067 1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.732 4.615 0.353 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.770 5.524 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.000 6.375 0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.352 3.734 2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.184 2.923 1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.796 3.780 1.937 1.00 0.00 H new ATOM 528 N GLU A 40 -7.843 5.531 -3.223 1.00 0.00 N ATOM 529 CA GLU A 40 -7.264 5.562 -4.561 1.00 0.00 C ATOM 530 C GLU A 40 -5.891 6.228 -4.544 1.00 0.00 C ATOM 531 O GLU A 40 -5.543 6.980 -5.455 1.00 0.00 O ATOM 532 CB GLU A 40 -8.191 6.304 -5.526 1.00 0.00 C ATOM 533 CG GLU A 40 -9.416 5.502 -5.931 1.00 0.00 C ATOM 534 CD GLU A 40 -10.278 6.226 -6.947 1.00 0.00 C ATOM 535 OE1 GLU A 40 -11.035 7.134 -6.543 1.00 0.00 O ATOM 536 OE2 GLU A 40 -10.195 5.886 -8.146 1.00 0.00 O ATOM 0 H GLU A 40 -8.345 4.672 -3.000 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.146 4.533 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.514 7.236 -5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.630 6.572 -6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.098 4.545 -6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.012 5.283 -5.045 1.00 0.00 H new ATOM 543 N TRP A 41 -5.117 5.946 -3.503 1.00 0.00 N ATOM 544 CA TRP A 41 -3.782 6.518 -3.367 1.00 0.00 C ATOM 545 C TRP A 41 -2.958 5.740 -2.347 1.00 0.00 C ATOM 546 O TRP A 41 -3.281 5.720 -1.159 1.00 0.00 O ATOM 547 CB TRP A 41 -3.874 7.987 -2.952 1.00 0.00 C ATOM 548 CG TRP A 41 -4.516 8.858 -3.990 1.00 0.00 C ATOM 549 CD1 TRP A 41 -5.670 9.576 -3.857 1.00 0.00 C ATOM 550 CD2 TRP A 41 -4.040 9.101 -5.318 1.00 0.00 C ATOM 551 NE1 TRP A 41 -5.941 10.250 -5.024 1.00 0.00 N ATOM 552 CE2 TRP A 41 -4.956 9.976 -5.935 1.00 0.00 C ATOM 553 CE3 TRP A 41 -2.930 8.666 -6.046 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -4.793 10.421 -7.244 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -2.770 9.108 -7.345 1.00 0.00 C ATOM 556 CH2 TRP A 41 -3.697 9.979 -7.934 1.00 0.00 C ATOM 0 H TRP A 41 -5.390 5.325 -2.741 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.285 6.452 -4.335 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.442 8.060 -2.025 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -2.872 8.362 -2.743 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.280 9.609 -2.966 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.745 10.856 -5.185 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.209 7.996 -5.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.507 11.092 -7.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.916 8.777 -7.917 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.543 10.307 -8.951 1.00 0.00 H new ATOM 567 N PHE A 42 -1.892 5.100 -2.817 1.00 0.00 N ATOM 568 CA PHE A 42 -1.022 4.320 -1.945 1.00 0.00 C ATOM 569 C PHE A 42 0.427 4.394 -2.415 1.00 0.00 C ATOM 570 O PHE A 42 0.700 4.469 -3.613 1.00 0.00 O ATOM 571 CB PHE A 42 -1.483 2.861 -1.903 1.00 0.00 C ATOM 572 CG PHE A 42 -2.951 2.703 -1.631 1.00 0.00 C ATOM 573 CD1 PHE A 42 -3.421 2.599 -0.332 1.00 0.00 C ATOM 574 CD2 PHE A 42 -3.862 2.661 -2.674 1.00 0.00 C ATOM 575 CE1 PHE A 42 -4.772 2.453 -0.079 1.00 0.00 C ATOM 576 CE2 PHE A 42 -5.214 2.515 -2.427 1.00 0.00 C ATOM 577 CZ PHE A 42 -5.670 2.412 -1.128 1.00 0.00 C ATOM 0 H PHE A 42 -1.610 5.106 -3.797 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.082 4.742 -0.942 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.245 2.386 -2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.920 2.333 -1.133 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.724 2.632 0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.511 2.743 -3.692 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.125 2.371 0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.913 2.482 -3.249 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.726 2.300 -0.932 1.00 0.00 H new ATOM 587 N HIS A 43 1.354 4.373 -1.462 1.00 0.00 N ATOM 588 CA HIS A 43 2.777 4.438 -1.778 1.00 0.00 C ATOM 589 C HIS A 43 3.261 3.120 -2.375 1.00 0.00 C ATOM 590 O HIS A 43 2.792 2.046 -1.997 1.00 0.00 O ATOM 591 CB HIS A 43 3.584 4.770 -0.523 1.00 0.00 C ATOM 592 CG HIS A 43 3.068 5.962 0.224 1.00 0.00 C ATOM 593 ND1 HIS A 43 2.606 5.895 1.521 1.00 0.00 N ATOM 594 CD2 HIS A 43 2.945 7.257 -0.152 1.00 0.00 C ATOM 595 CE1 HIS A 43 2.219 7.097 1.910 1.00 0.00 C ATOM 596 NE2 HIS A 43 2.414 7.941 0.913 1.00 0.00 N ATOM 0 H HIS A 43 1.146 4.312 -0.465 1.00 0.00 H new ATOM 0 HA HIS A 43 2.925 5.227 -2.516 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.579 3.906 0.141 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.621 4.950 -0.805 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.214 7.674 -1.111 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.812 7.347 2.879 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.204 8.939 0.931 1.00 0.00 H new ATOM 604 N PHE A 44 4.202 3.210 -3.309 1.00 0.00 N ATOM 605 CA PHE A 44 4.750 2.025 -3.959 1.00 0.00 C ATOM 606 C PHE A 44 5.478 1.140 -2.953 1.00 0.00 C ATOM 607 O PHE A 44 5.216 -0.059 -2.860 1.00 0.00 O ATOM 608 CB PHE A 44 5.704 2.430 -5.084 1.00 0.00 C ATOM 609 CG PHE A 44 5.002 2.888 -6.330 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.885 3.705 -6.252 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.459 2.503 -7.580 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.237 4.127 -7.397 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.815 2.922 -8.729 1.00 0.00 C ATOM 614 CZ PHE A 44 3.703 3.736 -8.637 1.00 0.00 C ATOM 0 H PHE A 44 4.601 4.091 -3.633 1.00 0.00 H new ATOM 0 HA PHE A 44 3.921 1.457 -4.382 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.354 3.229 -4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.345 1.583 -5.328 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.517 4.015 -5.285 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.329 1.868 -7.658 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.367 4.762 -7.322 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.181 2.613 -9.697 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.199 4.066 -9.533 1.00 0.00 H new ATOM 624 N SER A 45 6.395 1.740 -2.201 1.00 0.00 N ATOM 625 CA SER A 45 7.166 1.006 -1.204 1.00 0.00 C ATOM 626 C SER A 45 6.243 0.266 -0.240 1.00 0.00 C ATOM 627 O SER A 45 6.477 -0.896 0.094 1.00 0.00 O ATOM 628 CB SER A 45 8.074 1.960 -0.426 1.00 0.00 C ATOM 629 OG SER A 45 9.057 1.247 0.304 1.00 0.00 O ATOM 0 H SER A 45 6.622 2.732 -2.263 1.00 0.00 H new ATOM 0 HA SER A 45 7.782 0.273 -1.725 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.559 2.650 -1.117 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.474 2.562 0.257 1.00 0.00 H new ATOM 0 HG SER A 45 9.625 1.879 0.791 1.00 0.00 H new ATOM 635 N CYS A 46 5.192 0.948 0.203 1.00 0.00 N ATOM 636 CA CYS A 46 4.232 0.358 1.129 1.00 0.00 C ATOM 637 C CYS A 46 3.514 -0.826 0.486 1.00 0.00 C ATOM 638 O CYS A 46 3.436 -1.908 1.067 1.00 0.00 O ATOM 639 CB CYS A 46 3.212 1.406 1.575 1.00 0.00 C ATOM 640 SG CYS A 46 3.719 2.360 3.042 1.00 0.00 S ATOM 0 H CYS A 46 4.983 1.910 -0.064 1.00 0.00 H new ATOM 0 HA CYS A 46 4.779 -0.001 2.001 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.032 2.096 0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.265 0.909 1.787 1.00 0.00 H new ATOM 0 HG CYS A 46 2.795 3.225 3.338 1.00 0.00 H new ATOM 645 N VAL A 47 2.990 -0.611 -0.716 1.00 0.00 N ATOM 646 CA VAL A 47 2.279 -1.659 -1.439 1.00 0.00 C ATOM 647 C VAL A 47 3.251 -2.576 -2.173 1.00 0.00 C ATOM 648 O VAL A 47 2.907 -3.173 -3.193 1.00 0.00 O ATOM 649 CB VAL A 47 1.285 -1.065 -2.454 1.00 0.00 C ATOM 650 CG1 VAL A 47 0.176 -0.311 -1.736 1.00 0.00 C ATOM 651 CG2 VAL A 47 2.006 -0.158 -3.439 1.00 0.00 C ATOM 0 H VAL A 47 3.044 0.280 -1.210 1.00 0.00 H new ATOM 0 HA VAL A 47 1.728 -2.237 -0.698 1.00 0.00 H new ATOM 0 HB VAL A 47 0.833 -1.883 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.517 0.102 -2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.359 -0.993 -1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.608 0.499 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.288 0.253 -4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.488 0.656 -2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.760 -0.732 -3.977 1.00 0.00 H new ATOM 661 N SER A 48 4.467 -2.683 -1.647 1.00 0.00 N ATOM 662 CA SER A 48 5.491 -3.526 -2.255 1.00 0.00 C ATOM 663 C SER A 48 5.346 -3.547 -3.773 1.00 0.00 C ATOM 664 O SER A 48 5.239 -4.611 -4.384 1.00 0.00 O ATOM 665 CB SER A 48 5.403 -4.950 -1.703 1.00 0.00 C ATOM 666 OG SER A 48 5.583 -4.965 -0.297 1.00 0.00 O ATOM 0 H SER A 48 4.767 -2.197 -0.802 1.00 0.00 H new ATOM 0 HA SER A 48 6.466 -3.107 -2.006 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.434 -5.381 -1.953 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.161 -5.574 -2.176 1.00 0.00 H new ATOM 0 HG SER A 48 5.521 -5.886 0.031 1.00 0.00 H new ATOM 672 N LEU A 49 5.345 -2.364 -4.377 1.00 0.00 N ATOM 673 CA LEU A 49 5.214 -2.244 -5.825 1.00 0.00 C ATOM 674 C LEU A 49 6.555 -1.902 -6.467 1.00 0.00 C ATOM 675 O LEU A 49 7.041 -2.623 -7.338 1.00 0.00 O ATOM 676 CB LEU A 49 4.179 -1.173 -6.177 1.00 0.00 C ATOM 677 CG LEU A 49 2.773 -1.680 -6.499 1.00 0.00 C ATOM 678 CD1 LEU A 49 1.838 -0.514 -6.783 1.00 0.00 C ATOM 679 CD2 LEU A 49 2.808 -2.637 -7.681 1.00 0.00 C ATOM 0 H LEU A 49 5.433 -1.474 -3.887 1.00 0.00 H new ATOM 0 HA LEU A 49 4.880 -3.205 -6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.110 -0.475 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.546 -0.609 -7.035 1.00 0.00 H new ATOM 0 HG LEU A 49 2.395 -2.220 -5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.842 -0.893 -7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.789 0.134 -5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.213 0.054 -7.635 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.798 -2.987 -7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.206 -2.122 -8.555 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.444 -3.489 -7.441 1.00 0.00 H new ATOM 691 N THR A 50 7.149 -0.796 -6.029 1.00 0.00 N ATOM 692 CA THR A 50 8.434 -0.358 -6.559 1.00 0.00 C ATOM 693 C THR A 50 8.396 -0.256 -8.080 1.00 0.00 C ATOM 694 O THR A 50 9.427 -0.355 -8.745 1.00 0.00 O ATOM 695 CB THR A 50 9.568 -1.317 -6.149 1.00 0.00 C ATOM 696 OG1 THR A 50 9.489 -1.597 -4.747 1.00 0.00 O ATOM 697 CG2 THR A 50 10.928 -0.720 -6.477 1.00 0.00 C ATOM 0 H THR A 50 6.760 -0.187 -5.309 1.00 0.00 H new ATOM 0 HA THR A 50 8.630 0.627 -6.136 1.00 0.00 H new ATOM 0 HB THR A 50 9.452 -2.243 -6.711 1.00 0.00 H new ATOM 0 HG1 THR A 50 10.212 -2.208 -4.494 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.712 -1.416 -6.178 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.995 -0.536 -7.549 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.052 0.220 -5.939 1.00 0.00 H new ATOM 705 N TYR A 51 7.201 -0.057 -8.625 1.00 0.00 N ATOM 706 CA TYR A 51 7.028 0.057 -10.068 1.00 0.00 C ATOM 707 C TYR A 51 5.567 0.316 -10.423 1.00 0.00 C ATOM 708 O TYR A 51 4.659 -0.053 -9.677 1.00 0.00 O ATOM 709 CB TYR A 51 7.515 -1.216 -10.763 1.00 0.00 C ATOM 710 CG TYR A 51 7.155 -2.485 -10.025 1.00 0.00 C ATOM 711 CD1 TYR A 51 5.827 -2.834 -9.809 1.00 0.00 C ATOM 712 CD2 TYR A 51 8.142 -3.337 -9.544 1.00 0.00 C ATOM 713 CE1 TYR A 51 5.493 -3.992 -9.135 1.00 0.00 C ATOM 714 CE2 TYR A 51 7.817 -4.498 -8.869 1.00 0.00 C ATOM 715 CZ TYR A 51 6.491 -4.821 -8.667 1.00 0.00 C ATOM 716 OH TYR A 51 6.162 -5.976 -7.996 1.00 0.00 O ATOM 0 H TYR A 51 6.338 0.029 -8.089 1.00 0.00 H new ATOM 0 HA TYR A 51 7.623 0.903 -10.414 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.091 -1.257 -11.766 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.598 -1.166 -10.876 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.043 -2.188 -10.175 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.181 -3.087 -9.701 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.456 -4.247 -8.975 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.597 -5.149 -8.502 1.00 0.00 H new ATOM 0 HH TYR A 51 6.981 -6.447 -7.734 1.00 0.00 H new ATOM 726 N LYS A 52 5.347 0.952 -11.569 1.00 0.00 N ATOM 727 CA LYS A 52 3.998 1.260 -12.027 1.00 0.00 C ATOM 728 C LYS A 52 3.333 0.027 -12.630 1.00 0.00 C ATOM 729 O LYS A 52 3.724 -0.464 -13.689 1.00 0.00 O ATOM 730 CB LYS A 52 4.033 2.390 -13.058 1.00 0.00 C ATOM 731 CG LYS A 52 2.783 3.253 -13.058 1.00 0.00 C ATOM 732 CD LYS A 52 1.583 2.498 -13.604 1.00 0.00 C ATOM 733 CE LYS A 52 0.277 3.178 -13.225 1.00 0.00 C ATOM 734 NZ LYS A 52 -0.836 2.788 -14.134 1.00 0.00 N ATOM 0 H LYS A 52 6.087 1.264 -12.198 1.00 0.00 H new ATOM 0 HA LYS A 52 3.413 1.581 -11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.900 3.021 -12.863 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.168 1.961 -14.051 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.572 3.588 -12.043 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.956 4.146 -13.659 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.658 2.430 -14.689 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.588 1.478 -13.220 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.016 2.917 -12.199 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.409 4.260 -13.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.709 3.273 -13.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.599 3.059 -15.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.979 1.759 -14.086 1.00 0.00 H new ATOM 748 N PRO A 53 2.303 -0.488 -11.942 1.00 0.00 N ATOM 749 CA PRO A 53 1.561 -1.669 -12.392 1.00 0.00 C ATOM 750 C PRO A 53 0.719 -1.387 -13.632 1.00 0.00 C ATOM 751 O PRO A 53 -0.248 -0.627 -13.580 1.00 0.00 O ATOM 752 CB PRO A 53 0.661 -1.999 -11.199 1.00 0.00 C ATOM 753 CG PRO A 53 0.492 -0.704 -10.482 1.00 0.00 C ATOM 754 CD PRO A 53 1.782 0.045 -10.672 1.00 0.00 C ATOM 0 HA PRO A 53 2.227 -2.483 -12.679 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.299 -2.399 -11.526 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.117 -2.751 -10.555 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.349 -0.141 -10.886 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.288 -0.867 -9.424 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.618 1.121 -10.725 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.474 -0.131 -9.848 1.00 0.00 H new ATOM 762 N LYS A 54 1.093 -2.004 -14.748 1.00 0.00 N ATOM 763 CA LYS A 54 0.372 -1.821 -16.002 1.00 0.00 C ATOM 764 C LYS A 54 -0.951 -2.580 -15.985 1.00 0.00 C ATOM 765 O LYS A 54 -1.006 -3.740 -15.579 1.00 0.00 O ATOM 766 CB LYS A 54 1.228 -2.293 -17.180 1.00 0.00 C ATOM 767 CG LYS A 54 2.480 -1.460 -17.394 1.00 0.00 C ATOM 768 CD LYS A 54 2.145 -0.074 -17.919 1.00 0.00 C ATOM 769 CE LYS A 54 2.118 -0.045 -19.439 1.00 0.00 C ATOM 770 NZ LYS A 54 0.943 -0.779 -19.987 1.00 0.00 N ATOM 0 H LYS A 54 1.892 -2.635 -14.809 1.00 0.00 H new ATOM 0 HA LYS A 54 0.159 -0.758 -16.118 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.516 -3.331 -17.016 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.626 -2.269 -18.088 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.025 -1.372 -16.454 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.140 -1.967 -18.098 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.176 0.239 -17.531 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.881 0.642 -17.553 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.092 0.989 -19.782 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.036 -0.487 -19.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.700 -0.396 -20.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.175 -1.789 -20.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.133 -0.665 -19.345 1.00 0.00 H new ATOM 784 N GLY A 55 -2.014 -1.917 -16.430 1.00 0.00 N ATOM 785 CA GLY A 55 -3.322 -2.546 -16.458 1.00 0.00 C ATOM 786 C GLY A 55 -4.220 -2.068 -15.335 1.00 0.00 C ATOM 787 O GLY A 55 -4.520 -0.878 -15.234 1.00 0.00 O ATOM 0 H GLY A 55 -1.993 -0.956 -16.771 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.801 -2.339 -17.415 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.203 -3.627 -16.389 1.00 0.00 H new ATOM 791 N LYS A 56 -4.651 -2.996 -14.488 1.00 0.00 N ATOM 792 CA LYS A 56 -5.521 -2.664 -13.366 1.00 0.00 C ATOM 793 C LYS A 56 -4.880 -3.069 -12.042 1.00 0.00 C ATOM 794 O LYS A 56 -4.360 -4.177 -11.907 1.00 0.00 O ATOM 795 CB LYS A 56 -6.876 -3.358 -13.521 1.00 0.00 C ATOM 796 CG LYS A 56 -6.770 -4.855 -13.754 1.00 0.00 C ATOM 797 CD LYS A 56 -8.133 -5.479 -13.999 1.00 0.00 C ATOM 798 CE LYS A 56 -8.136 -6.962 -13.659 1.00 0.00 C ATOM 799 NZ LYS A 56 -8.046 -7.195 -12.191 1.00 0.00 N ATOM 0 H LYS A 56 -4.412 -3.985 -14.557 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.671 -1.584 -13.363 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.471 -3.180 -12.625 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.413 -2.906 -14.355 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.122 -5.046 -14.610 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.303 -5.327 -12.889 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.883 -4.965 -13.398 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.414 -5.343 -15.043 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.046 -7.421 -14.044 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.298 -7.450 -14.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.384 -8.153 -11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.057 -7.097 -11.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.634 -6.497 -11.692 1.00 0.00 H new ATOM 813 N TRP A 57 -4.922 -2.166 -11.070 1.00 0.00 N ATOM 814 CA TRP A 57 -4.346 -2.430 -9.756 1.00 0.00 C ATOM 815 C TRP A 57 -5.337 -2.091 -8.648 1.00 0.00 C ATOM 816 O TRP A 57 -5.672 -0.925 -8.438 1.00 0.00 O ATOM 817 CB TRP A 57 -3.059 -1.625 -9.569 1.00 0.00 C ATOM 818 CG TRP A 57 -2.374 -1.895 -8.263 1.00 0.00 C ATOM 819 CD1 TRP A 57 -1.396 -2.818 -8.026 1.00 0.00 C ATOM 820 CD2 TRP A 57 -2.618 -1.236 -7.016 1.00 0.00 C ATOM 821 NE1 TRP A 57 -1.017 -2.772 -6.706 1.00 0.00 N ATOM 822 CE2 TRP A 57 -1.751 -1.809 -6.065 1.00 0.00 C ATOM 823 CE3 TRP A 57 -3.482 -0.215 -6.610 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -1.726 -1.396 -4.736 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -3.457 0.193 -5.290 1.00 0.00 C ATOM 826 CH2 TRP A 57 -2.583 -0.396 -4.366 1.00 0.00 C ATOM 0 H TRP A 57 -5.349 -1.245 -11.166 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.113 -3.493 -9.697 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.374 -1.854 -10.385 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.291 -0.562 -9.637 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -0.981 -3.486 -8.767 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.304 -3.360 -6.273 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.157 0.247 -7.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.054 -1.849 -4.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.122 0.979 -4.965 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.586 -0.054 -3.342 1.00 0.00 H new ATOM 837 N TYR A 58 -5.804 -3.115 -7.944 1.00 0.00 N ATOM 838 CA TYR A 58 -6.759 -2.925 -6.859 1.00 0.00 C ATOM 839 C TYR A 58 -6.072 -3.036 -5.501 1.00 0.00 C ATOM 840 O TYR A 58 -5.566 -4.097 -5.133 1.00 0.00 O ATOM 841 CB TYR A 58 -7.887 -3.954 -6.958 1.00 0.00 C ATOM 842 CG TYR A 58 -8.793 -3.746 -8.150 1.00 0.00 C ATOM 843 CD1 TYR A 58 -8.412 -4.165 -9.418 1.00 0.00 C ATOM 844 CD2 TYR A 58 -10.031 -3.130 -8.008 1.00 0.00 C ATOM 845 CE1 TYR A 58 -9.237 -3.977 -10.511 1.00 0.00 C ATOM 846 CE2 TYR A 58 -10.862 -2.939 -9.094 1.00 0.00 C ATOM 847 CZ TYR A 58 -10.461 -3.364 -10.343 1.00 0.00 C ATOM 848 OH TYR A 58 -11.286 -3.174 -11.428 1.00 0.00 O ATOM 0 H TYR A 58 -5.537 -4.086 -8.105 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.180 -1.924 -6.952 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.453 -4.952 -7.012 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.484 -3.915 -6.047 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.454 -4.646 -9.552 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.348 -2.795 -7.032 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.925 -4.308 -11.491 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.821 -2.459 -8.966 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.538 -2.229 -11.486 1.00 0.00 H new ATOM 858 N CYS A 59 -6.057 -1.933 -4.761 1.00 0.00 N ATOM 859 CA CYS A 59 -5.432 -1.904 -3.444 1.00 0.00 C ATOM 860 C CYS A 59 -5.715 -3.193 -2.679 1.00 0.00 C ATOM 861 O CYS A 59 -6.707 -3.882 -2.919 1.00 0.00 O ATOM 862 CB CYS A 59 -5.938 -0.702 -2.643 1.00 0.00 C ATOM 863 SG CYS A 59 -7.616 -0.912 -1.966 1.00 0.00 S ATOM 0 H CYS A 59 -6.471 -1.047 -5.051 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.355 -1.813 -3.583 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.248 -0.510 -1.821 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.924 0.180 -3.284 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.275 0.202 -2.087 1.00 0.00 H new ATOM 868 N PRO A 60 -4.823 -3.529 -1.735 1.00 0.00 N ATOM 869 CA PRO A 60 -4.955 -4.737 -0.915 1.00 0.00 C ATOM 870 C PRO A 60 -6.112 -4.643 0.073 1.00 0.00 C ATOM 871 O PRO A 60 -6.345 -5.560 0.862 1.00 0.00 O ATOM 872 CB PRO A 60 -3.620 -4.808 -0.170 1.00 0.00 C ATOM 873 CG PRO A 60 -3.136 -3.399 -0.125 1.00 0.00 C ATOM 874 CD PRO A 60 -3.617 -2.755 -1.396 1.00 0.00 C ATOM 0 HA PRO A 60 -5.169 -5.619 -1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.748 -5.215 0.833 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.911 -5.454 -0.688 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.529 -2.879 0.749 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.049 -3.362 -0.056 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.845 -1.699 -1.250 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.867 -2.813 -2.185 1.00 0.00 H new ATOM 882 N LYS A 61 -6.836 -3.530 0.026 1.00 0.00 N ATOM 883 CA LYS A 61 -7.970 -3.316 0.916 1.00 0.00 C ATOM 884 C LYS A 61 -9.281 -3.670 0.221 1.00 0.00 C ATOM 885 O LYS A 61 -10.245 -4.084 0.866 1.00 0.00 O ATOM 886 CB LYS A 61 -8.008 -1.860 1.387 1.00 0.00 C ATOM 887 CG LYS A 61 -7.247 -1.619 2.679 1.00 0.00 C ATOM 888 CD LYS A 61 -8.109 -1.909 3.896 1.00 0.00 C ATOM 889 CE LYS A 61 -7.270 -2.023 5.160 1.00 0.00 C ATOM 890 NZ LYS A 61 -7.004 -0.691 5.770 1.00 0.00 N ATOM 0 H LYS A 61 -6.657 -2.761 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.849 -3.968 1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.592 -1.223 0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.046 -1.558 1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.359 -2.250 2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.904 -0.585 2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.846 -1.116 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.661 -2.836 3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.785 -2.657 5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.324 -2.511 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.308 -0.793 6.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.629 -0.046 5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.889 -0.303 6.155 1.00 0.00 H new ATOM 904 N CYS A 62 -9.310 -3.507 -1.097 1.00 0.00 N ATOM 905 CA CYS A 62 -10.502 -3.811 -1.880 1.00 0.00 C ATOM 906 C CYS A 62 -10.459 -5.245 -2.401 1.00 0.00 C ATOM 907 O CYS A 62 -11.494 -5.896 -2.541 1.00 0.00 O ATOM 908 CB CYS A 62 -10.631 -2.835 -3.050 1.00 0.00 C ATOM 909 SG CYS A 62 -11.168 -1.162 -2.568 1.00 0.00 S ATOM 0 H CYS A 62 -8.521 -3.166 -1.646 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.371 -3.705 -1.230 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -9.669 -2.764 -3.558 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.342 -3.240 -3.770 1.00 0.00 H new ATOM 0 HG CYS A 62 -12.466 -1.096 -2.604 1.00 0.00 H new ATOM 914 N ARG A 63 -9.255 -5.729 -2.687 1.00 0.00 N ATOM 915 CA ARG A 63 -9.077 -7.084 -3.194 1.00 0.00 C ATOM 916 C ARG A 63 -9.081 -8.097 -2.053 1.00 0.00 C ATOM 917 O ARG A 63 -8.507 -9.178 -2.166 1.00 0.00 O ATOM 918 CB ARG A 63 -7.768 -7.190 -3.979 1.00 0.00 C ATOM 919 CG ARG A 63 -6.539 -6.817 -3.166 1.00 0.00 C ATOM 920 CD ARG A 63 -6.005 -8.007 -2.385 1.00 0.00 C ATOM 921 NE ARG A 63 -6.494 -8.022 -1.009 1.00 0.00 N ATOM 922 CZ ARG A 63 -5.880 -8.658 -0.017 1.00 0.00 C ATOM 923 NH1 ARG A 63 -4.759 -9.329 -0.249 1.00 0.00 N ATOM 924 NH2 ARG A 63 -6.387 -8.625 1.209 1.00 0.00 N ATOM 0 H ARG A 63 -8.388 -5.203 -2.576 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.911 -7.308 -3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.655 -8.210 -4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.825 -6.542 -4.854 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.763 -6.439 -3.831 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.789 -6.010 -2.477 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.299 -8.930 -2.884 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.915 -7.979 -2.382 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.354 -7.516 -0.798 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.367 -9.357 -1.190 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.289 -9.817 0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.249 -8.111 1.391 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.915 -9.114 1.970 1.00 0.00 H new