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 19 CYS SG : rot 179:sc= 1.75 USER MOD Set 1.2: A 21 CYS SG : rot -69:sc= -0.792 USER MOD Set 1.3: A 29 MET CE :methyl -114:sc= -2.71 (180deg=-1.16) USER MOD Set 1.4: A 43 HIS : no HD1:sc= -1.36 K(o=-3.1,f=-6.1) USER MOD Set 1.5: A 46 CYS SG : rot 174:sc= 0 USER MOD Set 2.1: A 32 CYS SG : rot -169:sc= 0.353 USER MOD Set 2.2: A 34 ASN :FLIP amide:sc= -0.0148 F(o=2.4,f=3.4) USER MOD Set 2.3: A 37 CYS SG : rot 99:sc= 0.181 USER MOD Set 2.4: A 59 CYS SG : rot -63:sc= 0.952 USER MOD Set 2.5: A 62 CYS SG : rot 60:sc= 1.88 USER MOD Single : A 17 THR OG1 : rot 34:sc= 0.0994 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -4.57! C(o=-4.6!,f=-4.4!) USER MOD Single : A 23 GLN : amide:sc= -0.275 K(o=-0.28,f=-1.8!) USER MOD Single : A 25 SER OG : rot 11:sc= 0.662 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.041 X(o=-0.041,f=-0.49) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -60:sc= 0.344 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+ -177:sc= 0 (180deg=-0.0106) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -145:sc= 0 (180deg=-1.16) USER MOD ----------------------------------------------------------------- ATOM 185 N PRO A 16 -3.101 16.090 4.771 1.00 0.00 N ATOM 186 CA PRO A 16 -3.986 14.926 4.883 1.00 0.00 C ATOM 187 C PRO A 16 -3.228 13.608 4.774 1.00 0.00 C ATOM 188 O PRO A 16 -2.017 13.593 4.547 1.00 0.00 O ATOM 189 CB PRO A 16 -4.942 15.093 3.699 1.00 0.00 C ATOM 190 CG PRO A 16 -4.180 15.903 2.708 1.00 0.00 C ATOM 191 CD PRO A 16 -3.305 16.825 3.512 1.00 0.00 C ATOM 0 HA PRO A 16 -4.486 14.886 5.851 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.230 14.127 3.283 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.860 15.597 4.000 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.581 15.264 2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.854 16.468 2.064 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.361 17.025 3.006 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.786 17.788 3.682 1.00 0.00 H new ATOM 199 N THR A 17 -3.946 12.502 4.937 1.00 0.00 N ATOM 200 CA THR A 17 -3.341 11.178 4.858 1.00 0.00 C ATOM 201 C THR A 17 -4.216 10.220 4.059 1.00 0.00 C ATOM 202 O THR A 17 -5.412 10.092 4.320 1.00 0.00 O ATOM 203 CB THR A 17 -3.099 10.586 6.260 1.00 0.00 C ATOM 204 OG1 THR A 17 -4.345 10.425 6.945 1.00 0.00 O ATOM 205 CG2 THR A 17 -2.178 11.483 7.074 1.00 0.00 C ATOM 0 H THR A 17 -4.949 12.497 5.125 1.00 0.00 H new ATOM 0 HA THR A 17 -2.383 11.298 4.352 1.00 0.00 H new ATOM 0 HB THR A 17 -2.622 9.613 6.143 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.045 10.192 6.300 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.022 11.045 8.060 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.220 11.580 6.564 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.632 12.468 7.183 1.00 0.00 H new ATOM 213 N TYR A 18 -3.613 9.549 3.084 1.00 0.00 N ATOM 214 CA TYR A 18 -4.338 8.603 2.245 1.00 0.00 C ATOM 215 C TYR A 18 -3.852 7.177 2.485 1.00 0.00 C ATOM 216 O TYR A 18 -4.599 6.327 2.972 1.00 0.00 O ATOM 217 CB TYR A 18 -4.173 8.968 0.768 1.00 0.00 C ATOM 218 CG TYR A 18 -4.599 10.381 0.443 1.00 0.00 C ATOM 219 CD1 TYR A 18 -3.862 11.471 0.890 1.00 0.00 C ATOM 220 CD2 TYR A 18 -5.739 10.627 -0.314 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.249 12.764 0.596 1.00 0.00 C ATOM 222 CE2 TYR A 18 -6.131 11.917 -0.615 1.00 0.00 C ATOM 223 CZ TYR A 18 -5.384 12.982 -0.157 1.00 0.00 C ATOM 224 OH TYR A 18 -5.771 14.269 -0.454 1.00 0.00 O ATOM 0 H TYR A 18 -2.623 9.643 2.855 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.394 8.657 2.510 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.129 8.838 0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.756 8.273 0.163 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.971 11.304 1.477 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.328 9.796 -0.673 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.666 13.600 0.954 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.018 12.091 -1.206 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.590 14.248 -0.993 1.00 0.00 H new ATOM 234 N CYS A 19 -2.594 6.922 2.141 1.00 0.00 N ATOM 235 CA CYS A 19 -2.006 5.600 2.319 1.00 0.00 C ATOM 236 C CYS A 19 -2.464 4.972 3.632 1.00 0.00 C ATOM 237 O CYS A 19 -2.918 5.669 4.541 1.00 0.00 O ATOM 238 CB CYS A 19 -0.479 5.691 2.290 1.00 0.00 C ATOM 239 SG CYS A 19 0.349 4.140 1.811 1.00 0.00 S ATOM 0 H CYS A 19 -1.962 7.614 1.737 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.342 4.967 1.498 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.186 6.477 1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.125 5.990 3.276 1.00 0.00 H new ATOM 0 HG CYS A 19 1.636 4.323 1.791 1.00 0.00 H new ATOM 244 N LEU A 20 -2.341 3.653 3.726 1.00 0.00 N ATOM 245 CA LEU A 20 -2.741 2.930 4.928 1.00 0.00 C ATOM 246 C LEU A 20 -1.871 3.326 6.116 1.00 0.00 C ATOM 247 O LEU A 20 -2.309 3.271 7.266 1.00 0.00 O ATOM 248 CB LEU A 20 -2.650 1.421 4.694 1.00 0.00 C ATOM 249 CG LEU A 20 -3.368 0.890 3.453 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.662 -0.345 2.915 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.823 0.578 3.772 1.00 0.00 C ATOM 0 H LEU A 20 -1.967 3.062 2.984 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.774 3.194 5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.597 1.147 4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.055 0.913 5.569 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.342 1.662 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.187 -0.709 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.636 -0.090 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.656 -1.122 3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.319 0.201 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.870 -0.176 4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.324 1.485 4.110 1.00 0.00 H new ATOM 263 N CYS A 21 -0.636 3.726 5.832 1.00 0.00 N ATOM 264 CA CYS A 21 0.296 4.133 6.876 1.00 0.00 C ATOM 265 C CYS A 21 -0.010 5.548 7.357 1.00 0.00 C ATOM 266 O CYS A 21 0.771 6.146 8.096 1.00 0.00 O ATOM 267 CB CYS A 21 1.735 4.057 6.362 1.00 0.00 C ATOM 268 SG CYS A 21 2.064 5.113 4.915 1.00 0.00 S ATOM 0 H CYS A 21 -0.257 3.777 4.886 1.00 0.00 H new ATOM 0 HA CYS A 21 0.181 3.450 7.717 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.413 4.341 7.167 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.963 3.023 6.103 1.00 0.00 H new ATOM 0 HG CYS A 21 1.437 4.638 3.880 1.00 0.00 H new ATOM 273 N ASN A 22 -1.153 6.077 6.932 1.00 0.00 N ATOM 274 CA ASN A 22 -1.562 7.423 7.319 1.00 0.00 C ATOM 275 C ASN A 22 -0.410 8.409 7.160 1.00 0.00 C ATOM 276 O ASN A 22 -0.046 9.110 8.104 1.00 0.00 O ATOM 277 CB ASN A 22 -2.059 7.430 8.766 1.00 0.00 C ATOM 278 CG ASN A 22 -1.069 6.791 9.721 1.00 0.00 C ATOM 279 OD1 ASN A 22 -0.020 7.362 10.018 1.00 0.00 O ATOM 280 ND2 ASN A 22 -1.400 5.601 10.207 1.00 0.00 N ATOM 0 H ASN A 22 -1.812 5.595 6.320 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.374 7.733 6.661 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.248 8.457 9.077 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.009 6.899 8.823 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.774 5.122 10.855 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.280 5.165 9.933 1.00 0.00 H new ATOM 287 N GLN A 23 0.160 8.457 5.960 1.00 0.00 N ATOM 288 CA GLN A 23 1.271 9.358 5.678 1.00 0.00 C ATOM 289 C GLN A 23 0.952 10.262 4.493 1.00 0.00 C ATOM 290 O GLN A 23 0.071 9.960 3.687 1.00 0.00 O ATOM 291 CB GLN A 23 2.544 8.558 5.396 1.00 0.00 C ATOM 292 CG GLN A 23 3.253 8.080 6.653 1.00 0.00 C ATOM 293 CD GLN A 23 3.993 9.195 7.366 1.00 0.00 C ATOM 294 OE1 GLN A 23 3.380 10.081 7.960 1.00 0.00 O ATOM 295 NE2 GLN A 23 5.319 9.155 7.310 1.00 0.00 N ATOM 0 H GLN A 23 -0.129 7.883 5.168 1.00 0.00 H new ATOM 0 HA GLN A 23 1.430 9.984 6.556 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.292 7.694 4.781 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.229 9.175 4.814 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.523 7.641 7.333 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.958 7.291 6.390 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.786 8.401 6.806 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.871 9.878 7.771 1.00 0.00 H new ATOM 304 N VAL A 24 1.673 11.375 4.392 1.00 0.00 N ATOM 305 CA VAL A 24 1.466 12.323 3.304 1.00 0.00 C ATOM 306 C VAL A 24 1.898 11.730 1.968 1.00 0.00 C ATOM 307 O VAL A 24 2.799 10.893 1.910 1.00 0.00 O ATOM 308 CB VAL A 24 2.242 13.632 3.546 1.00 0.00 C ATOM 309 CG1 VAL A 24 1.733 14.330 4.798 1.00 0.00 C ATOM 310 CG2 VAL A 24 3.734 13.355 3.649 1.00 0.00 C ATOM 0 H VAL A 24 2.405 11.642 5.050 1.00 0.00 H new ATOM 0 HA VAL A 24 0.398 12.541 3.273 1.00 0.00 H new ATOM 0 HB VAL A 24 2.077 14.295 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.292 15.252 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.675 14.563 4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.867 13.675 5.659 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.267 14.290 3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.921 12.674 4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.085 12.902 2.722 1.00 0.00 H new ATOM 320 N SER A 25 1.248 12.168 0.894 1.00 0.00 N ATOM 321 CA SER A 25 1.561 11.677 -0.443 1.00 0.00 C ATOM 322 C SER A 25 3.016 11.968 -0.800 1.00 0.00 C ATOM 323 O SER A 25 3.453 13.119 -0.783 1.00 0.00 O ATOM 324 CB SER A 25 0.632 12.318 -1.475 1.00 0.00 C ATOM 325 OG SER A 25 1.004 13.661 -1.731 1.00 0.00 O ATOM 0 H SER A 25 0.501 12.862 0.924 1.00 0.00 H new ATOM 0 HA SER A 25 1.411 10.597 -0.452 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.663 11.746 -2.402 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.396 12.285 -1.114 1.00 0.00 H new ATOM 0 HG SER A 25 1.876 13.843 -1.322 1.00 0.00 H new ATOM 331 N TYR A 26 3.760 10.917 -1.125 1.00 0.00 N ATOM 332 CA TYR A 26 5.166 11.057 -1.485 1.00 0.00 C ATOM 333 C TYR A 26 5.578 9.994 -2.498 1.00 0.00 C ATOM 334 O TYR A 26 4.793 9.110 -2.842 1.00 0.00 O ATOM 335 CB TYR A 26 6.046 10.957 -0.238 1.00 0.00 C ATOM 336 CG TYR A 26 6.434 9.540 0.117 1.00 0.00 C ATOM 337 CD1 TYR A 26 5.639 8.770 0.959 1.00 0.00 C ATOM 338 CD2 TYR A 26 7.595 8.969 -0.389 1.00 0.00 C ATOM 339 CE1 TYR A 26 5.991 7.475 1.286 1.00 0.00 C ATOM 340 CE2 TYR A 26 7.954 7.674 -0.068 1.00 0.00 C ATOM 341 CZ TYR A 26 7.148 6.932 0.770 1.00 0.00 C ATOM 342 OH TYR A 26 7.501 5.641 1.093 1.00 0.00 O ATOM 0 H TYR A 26 3.413 9.958 -1.147 1.00 0.00 H new ATOM 0 HA TYR A 26 5.302 12.038 -1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.951 11.544 -0.394 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.518 11.402 0.605 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.731 9.192 1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.228 9.548 -1.045 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.363 6.891 1.942 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.860 7.245 -0.471 1.00 0.00 H new ATOM 0 HH TYR A 26 8.342 5.410 0.646 1.00 0.00 H new ATOM 352 N GLY A 27 6.816 10.086 -2.973 1.00 0.00 N ATOM 353 CA GLY A 27 7.313 9.126 -3.941 1.00 0.00 C ATOM 354 C GLY A 27 6.263 8.737 -4.963 1.00 0.00 C ATOM 355 O GLY A 27 5.414 9.549 -5.330 1.00 0.00 O ATOM 0 H GLY A 27 7.484 10.809 -2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.177 9.547 -4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.656 8.233 -3.419 1.00 0.00 H new ATOM 359 N GLU A 28 6.320 7.491 -5.424 1.00 0.00 N ATOM 360 CA GLU A 28 5.368 6.998 -6.411 1.00 0.00 C ATOM 361 C GLU A 28 4.080 6.531 -5.739 1.00 0.00 C ATOM 362 O GLU A 28 4.114 5.852 -4.713 1.00 0.00 O ATOM 363 CB GLU A 28 5.981 5.850 -7.215 1.00 0.00 C ATOM 364 CG GLU A 28 6.707 6.305 -8.470 1.00 0.00 C ATOM 365 CD GLU A 28 6.766 5.226 -9.534 1.00 0.00 C ATOM 366 OE1 GLU A 28 7.714 4.414 -9.502 1.00 0.00 O ATOM 367 OE2 GLU A 28 5.866 5.195 -10.398 1.00 0.00 O ATOM 0 H GLU A 28 7.015 6.805 -5.129 1.00 0.00 H new ATOM 0 HA GLU A 28 5.128 7.818 -7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.679 5.305 -6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.192 5.152 -7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.206 7.184 -8.876 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.721 6.608 -8.209 1.00 0.00 H new ATOM 374 N MET A 29 2.946 6.901 -6.324 1.00 0.00 N ATOM 375 CA MET A 29 1.646 6.520 -5.782 1.00 0.00 C ATOM 376 C MET A 29 0.681 6.141 -6.901 1.00 0.00 C ATOM 377 O MET A 29 0.702 6.736 -7.979 1.00 0.00 O ATOM 378 CB MET A 29 1.060 7.665 -4.953 1.00 0.00 C ATOM 379 CG MET A 29 1.508 7.653 -3.500 1.00 0.00 C ATOM 380 SD MET A 29 0.708 8.935 -2.517 1.00 0.00 S ATOM 381 CE MET A 29 -0.280 7.940 -1.402 1.00 0.00 C ATOM 0 H MET A 29 2.900 7.464 -7.173 1.00 0.00 H new ATOM 0 HA MET A 29 1.788 5.651 -5.139 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.347 8.614 -5.405 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.028 7.610 -4.990 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.290 6.678 -3.065 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.589 7.788 -3.456 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.338 8.109 -1.604 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.046 6.886 -1.551 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.058 8.219 -0.372 1.00 0.00 H new ATOM 391 N ILE A 30 -0.163 5.149 -6.637 1.00 0.00 N ATOM 392 CA ILE A 30 -1.136 4.692 -7.621 1.00 0.00 C ATOM 393 C ILE A 30 -2.561 4.950 -7.146 1.00 0.00 C ATOM 394 O ILE A 30 -2.825 5.012 -5.946 1.00 0.00 O ATOM 395 CB ILE A 30 -0.970 3.191 -7.922 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.449 2.355 -6.733 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.481 2.873 -8.249 1.00 0.00 C ATOM 398 CD1 ILE A 30 -0.346 1.996 -5.763 1.00 0.00 C ATOM 0 H ILE A 30 -0.192 4.647 -5.750 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.952 5.259 -8.533 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.581 2.940 -8.789 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.224 2.906 -6.201 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.907 1.439 -7.105 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.582 1.808 -8.459 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.791 3.446 -9.123 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.111 3.136 -7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.758 1.404 -4.946 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.419 1.418 -6.280 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.097 2.908 -5.362 1.00 0.00 H new ATOM 410 N GLY A 31 -3.479 5.099 -8.096 1.00 0.00 N ATOM 411 CA GLY A 31 -4.868 5.346 -7.755 1.00 0.00 C ATOM 412 C GLY A 31 -5.716 4.093 -7.833 1.00 0.00 C ATOM 413 O GLY A 31 -6.083 3.649 -8.922 1.00 0.00 O ATOM 0 H GLY A 31 -3.285 5.053 -9.096 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.924 5.756 -6.747 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.276 6.099 -8.429 1.00 0.00 H new ATOM 417 N CYS A 32 -6.029 3.518 -6.677 1.00 0.00 N ATOM 418 CA CYS A 32 -6.838 2.306 -6.618 1.00 0.00 C ATOM 419 C CYS A 32 -7.862 2.281 -7.748 1.00 0.00 C ATOM 420 O CYS A 32 -8.470 3.302 -8.073 1.00 0.00 O ATOM 421 CB CYS A 32 -7.549 2.208 -5.267 1.00 0.00 C ATOM 422 SG CYS A 32 -8.591 0.726 -5.082 1.00 0.00 S ATOM 0 H CYS A 32 -5.734 3.872 -5.767 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.174 1.449 -6.734 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.802 2.215 -4.474 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.168 3.094 -5.129 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.318 0.838 -4.010 1.00 0.00 H new ATOM 427 N ASP A 33 -8.049 1.109 -8.344 1.00 0.00 N ATOM 428 CA ASP A 33 -9.001 0.949 -9.437 1.00 0.00 C ATOM 429 C ASP A 33 -10.436 1.043 -8.927 1.00 0.00 C ATOM 430 O ASP A 33 -11.329 1.501 -9.637 1.00 0.00 O ATOM 431 CB ASP A 33 -8.783 -0.392 -10.140 1.00 0.00 C ATOM 432 CG ASP A 33 -7.714 -0.317 -11.211 1.00 0.00 C ATOM 433 OD1 ASP A 33 -6.648 0.277 -10.946 1.00 0.00 O ATOM 434 OD2 ASP A 33 -7.942 -0.853 -12.316 1.00 0.00 O ATOM 0 H ASP A 33 -7.553 0.255 -8.088 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.835 1.756 -10.151 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.502 -1.144 -9.403 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.720 -0.720 -10.589 1.00 0.00 H new ATOM 439 N ASN A 34 -10.648 0.604 -7.690 1.00 0.00 N ATOM 440 CA ASN A 34 -11.975 0.637 -7.085 1.00 0.00 C ATOM 441 C ASN A 34 -12.411 2.072 -6.809 1.00 0.00 C ATOM 442 O ASN A 34 -11.981 2.685 -5.832 1.00 0.00 O ATOM 443 CB ASN A 34 -11.985 -0.170 -5.785 1.00 0.00 C ATOM 444 CG ASN A 34 -13.376 -0.298 -5.195 1.00 0.00 C ATOM 445 OD1 ASN A 34 -13.529 0.121 -3.944 1.00 0.00 O flip ATOM 446 ND2 ASN A 34 -14.302 -0.768 -5.857 1.00 0.00 N flip ATOM 0 H ASN A 34 -9.919 0.222 -7.088 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.679 0.191 -7.787 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.581 -1.164 -5.975 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.328 0.308 -5.059 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.138 -1.077 -6.815 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.233 -0.848 -5.447 1.00 0.00 H new ATOM 453 N GLU A 35 -13.268 2.602 -7.676 1.00 0.00 N ATOM 454 CA GLU A 35 -13.763 3.965 -7.525 1.00 0.00 C ATOM 455 C GLU A 35 -14.171 4.239 -6.080 1.00 0.00 C ATOM 456 O GLU A 35 -13.598 5.102 -5.417 1.00 0.00 O ATOM 457 CB GLU A 35 -14.952 4.206 -8.457 1.00 0.00 C ATOM 458 CG GLU A 35 -14.549 4.548 -9.882 1.00 0.00 C ATOM 459 CD GLU A 35 -14.264 3.316 -10.719 1.00 0.00 C ATOM 460 OE1 GLU A 35 -14.839 2.249 -10.419 1.00 0.00 O ATOM 461 OE2 GLU A 35 -13.467 3.420 -11.674 1.00 0.00 O ATOM 0 H GLU A 35 -13.634 2.108 -8.490 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.957 4.648 -7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -15.579 3.315 -8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.559 5.017 -8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.345 5.126 -10.352 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.663 5.183 -9.863 1.00 0.00 H new ATOM 468 N GLN A 36 -15.165 3.498 -5.602 1.00 0.00 N ATOM 469 CA GLN A 36 -15.651 3.662 -4.237 1.00 0.00 C ATOM 470 C GLN A 36 -14.512 4.039 -3.295 1.00 0.00 C ATOM 471 O GLN A 36 -14.647 4.945 -2.473 1.00 0.00 O ATOM 472 CB GLN A 36 -16.322 2.375 -3.754 1.00 0.00 C ATOM 473 CG GLN A 36 -16.805 2.444 -2.314 1.00 0.00 C ATOM 474 CD GLN A 36 -17.977 1.520 -2.047 1.00 0.00 C ATOM 475 OE1 GLN A 36 -18.930 1.466 -2.824 1.00 0.00 O ATOM 476 NE2 GLN A 36 -17.912 0.786 -0.942 1.00 0.00 N ATOM 0 H GLN A 36 -15.649 2.779 -6.139 1.00 0.00 H new ATOM 0 HA GLN A 36 -16.384 4.469 -4.234 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -17.169 2.151 -4.402 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.618 1.549 -3.853 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.983 2.185 -1.646 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -17.094 3.469 -2.080 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -17.103 0.862 -0.326 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -18.671 0.146 -0.710 1.00 0.00 H new ATOM 485 N CYS A 37 -13.390 3.338 -3.421 1.00 0.00 N ATOM 486 CA CYS A 37 -12.227 3.598 -2.582 1.00 0.00 C ATOM 487 C CYS A 37 -12.052 5.095 -2.343 1.00 0.00 C ATOM 488 O CYS A 37 -11.609 5.841 -3.216 1.00 0.00 O ATOM 489 CB CYS A 37 -10.966 3.023 -3.229 1.00 0.00 C ATOM 490 SG CYS A 37 -9.695 2.491 -2.037 1.00 0.00 S ATOM 0 H CYS A 37 -13.262 2.585 -4.097 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.388 3.111 -1.620 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.245 2.172 -3.850 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.536 3.774 -3.892 1.00 0.00 H new ATOM 0 HG CYS A 37 -9.771 1.204 -1.867 1.00 0.00 H new ATOM 495 N PRO A 38 -12.408 5.547 -1.131 1.00 0.00 N ATOM 496 CA PRO A 38 -12.299 6.957 -0.748 1.00 0.00 C ATOM 497 C PRO A 38 -10.850 7.407 -0.598 1.00 0.00 C ATOM 498 O PRO A 38 -10.579 8.565 -0.278 1.00 0.00 O ATOM 499 CB PRO A 38 -13.019 7.015 0.602 1.00 0.00 C ATOM 500 CG PRO A 38 -12.911 5.634 1.149 1.00 0.00 C ATOM 501 CD PRO A 38 -12.944 4.714 -0.041 1.00 0.00 C ATOM 0 HA PRO A 38 -12.725 7.618 -1.503 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.554 7.742 1.268 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.061 7.313 0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.987 5.509 1.714 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.733 5.419 1.832 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.335 3.825 0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.956 4.372 -0.257 1.00 0.00 H new ATOM 509 N ILE A 39 -9.922 6.485 -0.830 1.00 0.00 N ATOM 510 CA ILE A 39 -8.500 6.788 -0.722 1.00 0.00 C ATOM 511 C ILE A 39 -7.868 6.959 -2.099 1.00 0.00 C ATOM 512 O ILE A 39 -7.175 7.943 -2.356 1.00 0.00 O ATOM 513 CB ILE A 39 -7.746 5.684 0.042 1.00 0.00 C ATOM 514 CG1 ILE A 39 -8.430 5.403 1.382 1.00 0.00 C ATOM 515 CG2 ILE A 39 -6.294 6.085 0.256 1.00 0.00 C ATOM 516 CD1 ILE A 39 -7.957 4.128 2.045 1.00 0.00 C ATOM 0 H ILE A 39 -10.129 5.522 -1.094 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.418 7.723 -0.168 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.766 4.771 -0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.251 6.241 2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.507 5.344 1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.774 5.295 0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.813 6.240 -0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.253 7.008 0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.484 3.992 2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.161 3.280 1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.885 4.192 2.233 1.00 0.00 H new ATOM 528 N GLU A 40 -8.116 5.996 -2.982 1.00 0.00 N ATOM 529 CA GLU A 40 -7.571 6.042 -4.334 1.00 0.00 C ATOM 530 C GLU A 40 -6.174 6.656 -4.337 1.00 0.00 C ATOM 531 O GLU A 40 -5.818 7.410 -5.243 1.00 0.00 O ATOM 532 CB GLU A 40 -8.495 6.845 -5.253 1.00 0.00 C ATOM 533 CG GLU A 40 -9.804 6.140 -5.566 1.00 0.00 C ATOM 534 CD GLU A 40 -9.722 5.284 -6.814 1.00 0.00 C ATOM 535 OE1 GLU A 40 -9.075 5.719 -7.790 1.00 0.00 O ATOM 536 OE2 GLU A 40 -10.303 4.179 -6.816 1.00 0.00 O ATOM 0 H GLU A 40 -8.690 5.176 -2.786 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.500 5.019 -4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.712 7.806 -4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.973 7.055 -6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.087 5.515 -4.719 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.592 6.883 -5.691 1.00 0.00 H new ATOM 543 N TRP A 41 -5.388 6.327 -3.319 1.00 0.00 N ATOM 544 CA TRP A 41 -4.030 6.846 -3.203 1.00 0.00 C ATOM 545 C TRP A 41 -3.209 6.010 -2.228 1.00 0.00 C ATOM 546 O TRP A 41 -3.488 5.985 -1.029 1.00 0.00 O ATOM 547 CB TRP A 41 -4.056 8.306 -2.747 1.00 0.00 C ATOM 548 CG TRP A 41 -4.676 9.231 -3.750 1.00 0.00 C ATOM 549 CD1 TRP A 41 -5.802 9.986 -3.582 1.00 0.00 C ATOM 550 CD2 TRP A 41 -4.207 9.496 -5.076 1.00 0.00 C ATOM 551 NE1 TRP A 41 -6.060 10.705 -4.724 1.00 0.00 N ATOM 552 CE2 TRP A 41 -5.095 10.423 -5.655 1.00 0.00 C ATOM 553 CE3 TRP A 41 -3.121 9.042 -5.830 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -4.930 10.901 -6.952 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -2.959 9.518 -7.117 1.00 0.00 C ATOM 556 CH2 TRP A 41 -3.859 10.440 -7.668 1.00 0.00 C ATOM 0 H TRP A 41 -5.667 5.703 -2.562 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.561 6.789 -4.185 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.607 8.376 -1.809 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.037 8.634 -2.543 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.401 10.014 -2.684 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.843 11.345 -4.857 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.421 8.332 -5.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.623 11.611 -7.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.124 9.173 -7.709 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.704 10.793 -8.677 1.00 0.00 H new ATOM 567 N PHE A 42 -2.194 5.327 -2.748 1.00 0.00 N ATOM 568 CA PHE A 42 -1.333 4.490 -1.922 1.00 0.00 C ATOM 569 C PHE A 42 0.099 4.496 -2.448 1.00 0.00 C ATOM 570 O PHE A 42 0.337 4.743 -3.631 1.00 0.00 O ATOM 571 CB PHE A 42 -1.867 3.056 -1.882 1.00 0.00 C ATOM 572 CG PHE A 42 -3.283 2.957 -1.390 1.00 0.00 C ATOM 573 CD1 PHE A 42 -3.555 2.884 -0.034 1.00 0.00 C ATOM 574 CD2 PHE A 42 -4.340 2.938 -2.285 1.00 0.00 C ATOM 575 CE1 PHE A 42 -4.857 2.792 0.421 1.00 0.00 C ATOM 576 CE2 PHE A 42 -5.645 2.847 -1.836 1.00 0.00 C ATOM 577 CZ PHE A 42 -5.903 2.775 -0.481 1.00 0.00 C ATOM 0 H PHE A 42 -1.948 5.337 -3.738 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.332 4.899 -0.912 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.807 2.627 -2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.224 2.455 -1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.741 2.899 0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.143 2.995 -3.345 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.056 2.733 1.481 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.461 2.832 -2.544 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.921 2.706 -0.127 1.00 0.00 H new ATOM 587 N HIS A 43 1.051 4.225 -1.561 1.00 0.00 N ATOM 588 CA HIS A 43 2.461 4.199 -1.935 1.00 0.00 C ATOM 589 C HIS A 43 2.816 2.885 -2.623 1.00 0.00 C ATOM 590 O HIS A 43 2.025 1.941 -2.629 1.00 0.00 O ATOM 591 CB HIS A 43 3.341 4.397 -0.701 1.00 0.00 C ATOM 592 CG HIS A 43 2.987 5.612 0.099 1.00 0.00 C ATOM 593 ND1 HIS A 43 3.131 5.680 1.469 1.00 0.00 N ATOM 594 CD2 HIS A 43 2.494 6.813 -0.285 1.00 0.00 C ATOM 595 CE1 HIS A 43 2.740 6.869 1.892 1.00 0.00 C ATOM 596 NE2 HIS A 43 2.350 7.575 0.847 1.00 0.00 N ATOM 0 H HIS A 43 0.872 4.020 -0.578 1.00 0.00 H new ATOM 0 HA HIS A 43 2.641 5.015 -2.635 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.262 3.517 -0.063 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.382 4.470 -1.015 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.258 7.115 -1.295 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.740 7.206 2.918 1.00 0.00 H new ATOM 0 HE2 HIS A 43 1.998 8.532 0.876 1.00 0.00 H new ATOM 604 N PHE A 44 4.011 2.830 -3.203 1.00 0.00 N ATOM 605 CA PHE A 44 4.471 1.632 -3.896 1.00 0.00 C ATOM 606 C PHE A 44 5.066 0.630 -2.912 1.00 0.00 C ATOM 607 O PHE A 44 4.540 -0.469 -2.734 1.00 0.00 O ATOM 608 CB PHE A 44 5.508 1.999 -4.959 1.00 0.00 C ATOM 609 CG PHE A 44 4.903 2.428 -6.265 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.877 3.358 -6.295 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.361 1.901 -7.462 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.317 3.754 -7.496 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.806 2.294 -8.665 1.00 0.00 C ATOM 614 CZ PHE A 44 3.783 3.222 -8.682 1.00 0.00 C ATOM 0 H PHE A 44 4.678 3.601 -3.207 1.00 0.00 H new ATOM 0 HA PHE A 44 3.611 1.170 -4.382 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.138 2.803 -4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.157 1.141 -5.133 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.510 3.779 -5.370 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.161 1.175 -7.455 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.516 4.479 -7.506 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.172 1.876 -9.591 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.348 3.531 -9.621 1.00 0.00 H new ATOM 624 N SER A 45 6.167 1.017 -2.276 1.00 0.00 N ATOM 625 CA SER A 45 6.838 0.151 -1.313 1.00 0.00 C ATOM 626 C SER A 45 5.831 -0.477 -0.354 1.00 0.00 C ATOM 627 O SER A 45 5.892 -1.672 -0.066 1.00 0.00 O ATOM 628 CB SER A 45 7.885 0.942 -0.526 1.00 0.00 C ATOM 629 OG SER A 45 8.890 0.087 -0.012 1.00 0.00 O ATOM 0 H SER A 45 6.613 1.924 -2.410 1.00 0.00 H new ATOM 0 HA SER A 45 7.335 -0.647 -1.864 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.338 1.694 -1.172 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.402 1.475 0.293 1.00 0.00 H new ATOM 0 HG SER A 45 9.548 0.617 0.485 1.00 0.00 H new ATOM 635 N CYS A 46 4.905 0.339 0.139 1.00 0.00 N ATOM 636 CA CYS A 46 3.885 -0.134 1.067 1.00 0.00 C ATOM 637 C CYS A 46 3.075 -1.271 0.451 1.00 0.00 C ATOM 638 O CYS A 46 2.789 -2.271 1.109 1.00 0.00 O ATOM 639 CB CYS A 46 2.954 1.014 1.461 1.00 0.00 C ATOM 640 SG CYS A 46 3.520 1.968 2.907 1.00 0.00 S ATOM 0 H CYS A 46 4.840 1.331 -0.089 1.00 0.00 H new ATOM 0 HA CYS A 46 4.386 -0.510 1.959 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.848 1.690 0.612 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.964 0.609 1.671 1.00 0.00 H new ATOM 0 HG CYS A 46 2.737 2.991 3.086 1.00 0.00 H new ATOM 645 N VAL A 47 2.708 -1.111 -0.817 1.00 0.00 N ATOM 646 CA VAL A 47 1.933 -2.124 -1.522 1.00 0.00 C ATOM 647 C VAL A 47 2.844 -3.090 -2.272 1.00 0.00 C ATOM 648 O VAL A 47 2.424 -3.737 -3.231 1.00 0.00 O ATOM 649 CB VAL A 47 0.950 -1.484 -2.520 1.00 0.00 C ATOM 650 CG1 VAL A 47 0.039 -0.493 -1.812 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.706 -0.808 -3.654 1.00 0.00 C ATOM 0 H VAL A 47 2.935 -0.289 -1.377 1.00 0.00 H new ATOM 0 HA VAL A 47 1.369 -2.673 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 47 0.329 -2.272 -2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.648 -0.051 -2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.529 -1.010 -1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.641 0.293 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.995 -0.361 -4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.353 -0.031 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.312 -1.547 -4.179 1.00 0.00 H new ATOM 661 N SER A 48 4.093 -3.182 -1.827 1.00 0.00 N ATOM 662 CA SER A 48 5.065 -4.067 -2.458 1.00 0.00 C ATOM 663 C SER A 48 5.052 -3.897 -3.974 1.00 0.00 C ATOM 664 O SER A 48 5.015 -4.876 -4.720 1.00 0.00 O ATOM 665 CB SER A 48 4.771 -5.524 -2.095 1.00 0.00 C ATOM 666 OG SER A 48 5.812 -6.379 -2.534 1.00 0.00 O ATOM 0 H SER A 48 4.455 -2.655 -1.033 1.00 0.00 H new ATOM 0 HA SER A 48 6.055 -3.800 -2.088 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.651 -5.616 -1.015 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.828 -5.832 -2.547 1.00 0.00 H new ATOM 0 HG SER A 48 5.907 -6.306 -3.507 1.00 0.00 H new ATOM 672 N LEU A 49 5.083 -2.647 -4.422 1.00 0.00 N ATOM 673 CA LEU A 49 5.074 -2.345 -5.849 1.00 0.00 C ATOM 674 C LEU A 49 6.424 -1.794 -6.297 1.00 0.00 C ATOM 675 O LEU A 49 6.983 -0.898 -5.665 1.00 0.00 O ATOM 676 CB LEU A 49 3.968 -1.339 -6.172 1.00 0.00 C ATOM 677 CG LEU A 49 2.622 -1.933 -6.591 1.00 0.00 C ATOM 678 CD1 LEU A 49 1.546 -0.858 -6.605 1.00 0.00 C ATOM 679 CD2 LEU A 49 2.734 -2.596 -7.956 1.00 0.00 C ATOM 0 H LEU A 49 5.115 -1.826 -3.818 1.00 0.00 H new ATOM 0 HA LEU A 49 4.882 -3.272 -6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.808 -0.711 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.320 -0.687 -6.972 1.00 0.00 H new ATOM 0 HG LEU A 49 2.338 -2.693 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.595 -1.299 -6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.448 -0.428 -5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.823 -0.076 -7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.767 -3.013 -8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.040 -1.856 -8.696 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.475 -3.394 -7.913 1.00 0.00 H new ATOM 691 N THR A 50 6.944 -2.336 -7.395 1.00 0.00 N ATOM 692 CA THR A 50 8.227 -1.899 -7.929 1.00 0.00 C ATOM 693 C THR A 50 8.044 -0.800 -8.970 1.00 0.00 C ATOM 694 O THR A 50 8.843 0.133 -9.048 1.00 0.00 O ATOM 695 CB THR A 50 8.999 -3.070 -8.566 1.00 0.00 C ATOM 696 OG1 THR A 50 9.164 -4.125 -7.611 1.00 0.00 O ATOM 697 CG2 THR A 50 10.362 -2.613 -9.064 1.00 0.00 C ATOM 0 H THR A 50 6.495 -3.079 -7.931 1.00 0.00 H new ATOM 0 HA THR A 50 8.802 -1.508 -7.089 1.00 0.00 H new ATOM 0 HB THR A 50 8.423 -3.436 -9.416 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.654 -4.866 -8.024 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.888 -3.457 -9.510 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.233 -1.830 -9.812 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.943 -2.224 -8.228 1.00 0.00 H new ATOM 705 N TYR A 51 6.988 -0.916 -9.766 1.00 0.00 N ATOM 706 CA TYR A 51 6.701 0.067 -10.804 1.00 0.00 C ATOM 707 C TYR A 51 5.211 0.099 -11.128 1.00 0.00 C ATOM 708 O TYR A 51 4.467 -0.817 -10.776 1.00 0.00 O ATOM 709 CB TYR A 51 7.502 -0.247 -12.069 1.00 0.00 C ATOM 710 CG TYR A 51 7.484 -1.710 -12.450 1.00 0.00 C ATOM 711 CD1 TYR A 51 6.286 -2.372 -12.685 1.00 0.00 C ATOM 712 CD2 TYR A 51 8.666 -2.430 -12.575 1.00 0.00 C ATOM 713 CE1 TYR A 51 6.265 -3.709 -13.032 1.00 0.00 C ATOM 714 CE2 TYR A 51 8.655 -3.767 -12.924 1.00 0.00 C ATOM 715 CZ TYR A 51 7.451 -4.402 -13.151 1.00 0.00 C ATOM 716 OH TYR A 51 7.435 -5.733 -13.498 1.00 0.00 O ATOM 0 H TYR A 51 6.316 -1.681 -9.713 1.00 0.00 H new ATOM 0 HA TYR A 51 6.994 1.048 -10.430 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.103 0.340 -12.896 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.535 0.069 -11.923 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.355 -1.832 -12.595 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.610 -1.936 -12.396 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.324 -4.209 -13.209 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.583 -4.312 -13.019 1.00 0.00 H new ATOM 0 HH TYR A 51 8.354 -6.071 -13.540 1.00 0.00 H new ATOM 726 N LYS A 52 4.781 1.160 -11.802 1.00 0.00 N ATOM 727 CA LYS A 52 3.380 1.313 -12.176 1.00 0.00 C ATOM 728 C LYS A 52 2.877 0.079 -12.917 1.00 0.00 C ATOM 729 O LYS A 52 3.314 -0.230 -14.026 1.00 0.00 O ATOM 730 CB LYS A 52 3.197 2.556 -13.050 1.00 0.00 C ATOM 731 CG LYS A 52 1.825 3.194 -12.922 1.00 0.00 C ATOM 732 CD LYS A 52 0.742 2.310 -13.518 1.00 0.00 C ATOM 733 CE LYS A 52 -0.647 2.853 -13.221 1.00 0.00 C ATOM 734 NZ LYS A 52 -0.997 3.997 -14.108 1.00 0.00 N ATOM 0 H LYS A 52 5.383 1.927 -12.101 1.00 0.00 H new ATOM 0 HA LYS A 52 2.797 1.429 -11.263 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.956 3.291 -12.784 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.366 2.285 -14.092 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.606 3.381 -11.871 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.824 4.161 -13.424 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.883 2.238 -14.596 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.833 1.301 -13.116 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.382 2.058 -13.347 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.697 3.172 -12.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.951 4.339 -13.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.310 4.766 -13.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.974 3.687 -15.100 1.00 0.00 H new ATOM 748 N PRO A 53 1.935 -0.644 -12.293 1.00 0.00 N ATOM 749 CA PRO A 53 1.351 -1.855 -12.877 1.00 0.00 C ATOM 750 C PRO A 53 0.460 -1.549 -14.076 1.00 0.00 C ATOM 751 O PRO A 53 -0.537 -0.836 -13.957 1.00 0.00 O ATOM 752 CB PRO A 53 0.521 -2.438 -11.730 1.00 0.00 C ATOM 753 CG PRO A 53 0.193 -1.267 -10.868 1.00 0.00 C ATOM 754 CD PRO A 53 1.368 -0.335 -10.970 1.00 0.00 C ATOM 0 HA PRO A 53 2.115 -2.533 -13.256 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.382 -2.922 -12.101 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.083 -3.191 -11.178 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.722 -0.779 -11.204 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.029 -1.576 -9.836 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.061 0.708 -10.898 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.090 -0.510 -10.173 1.00 0.00 H new ATOM 762 N LYS A 54 0.825 -2.093 -15.233 1.00 0.00 N ATOM 763 CA LYS A 54 0.058 -1.880 -16.455 1.00 0.00 C ATOM 764 C LYS A 54 -1.201 -2.740 -16.464 1.00 0.00 C ATOM 765 O LYS A 54 -1.135 -3.957 -16.291 1.00 0.00 O ATOM 766 CB LYS A 54 0.916 -2.198 -17.681 1.00 0.00 C ATOM 767 CG LYS A 54 1.949 -1.130 -17.995 1.00 0.00 C ATOM 768 CD LYS A 54 3.166 -1.250 -17.094 1.00 0.00 C ATOM 769 CE LYS A 54 4.118 -0.078 -17.284 1.00 0.00 C ATOM 770 NZ LYS A 54 4.735 -0.079 -18.639 1.00 0.00 N ATOM 0 H LYS A 54 1.648 -2.685 -15.350 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.240 -0.832 -16.490 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.425 -3.148 -17.521 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.265 -2.327 -18.546 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.257 -1.215 -19.037 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.502 -0.143 -17.875 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.846 -1.295 -16.053 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.688 -2.183 -17.308 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.578 0.857 -17.131 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.902 -0.121 -16.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.415 0.705 -18.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.229 -0.981 -18.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.993 0.039 -19.358 1.00 0.00 H new ATOM 784 N GLY A 55 -2.349 -2.100 -16.668 1.00 0.00 N ATOM 785 CA GLY A 55 -3.606 -2.824 -16.698 1.00 0.00 C ATOM 786 C GLY A 55 -4.586 -2.326 -15.654 1.00 0.00 C ATOM 787 O GLY A 55 -5.272 -1.324 -15.863 1.00 0.00 O ATOM 0 H GLY A 55 -2.430 -1.094 -16.813 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.054 -2.728 -17.687 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.415 -3.885 -16.536 1.00 0.00 H new ATOM 791 N LYS A 56 -4.656 -3.027 -14.528 1.00 0.00 N ATOM 792 CA LYS A 56 -5.559 -2.651 -13.447 1.00 0.00 C ATOM 793 C LYS A 56 -4.953 -2.990 -12.088 1.00 0.00 C ATOM 794 O LYS A 56 -4.411 -4.078 -11.895 1.00 0.00 O ATOM 795 CB LYS A 56 -6.904 -3.362 -13.609 1.00 0.00 C ATOM 796 CG LYS A 56 -7.541 -3.157 -14.972 1.00 0.00 C ATOM 797 CD LYS A 56 -8.167 -1.778 -15.094 1.00 0.00 C ATOM 798 CE LYS A 56 -9.593 -1.765 -14.563 1.00 0.00 C ATOM 799 NZ LYS A 56 -10.336 -0.551 -15.001 1.00 0.00 N ATOM 0 H LYS A 56 -4.098 -3.860 -14.340 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.716 -1.573 -13.496 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.764 -4.430 -13.440 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.589 -3.005 -12.840 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.788 -3.286 -15.749 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.303 -3.919 -15.137 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.566 -1.054 -14.544 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.164 -1.467 -16.139 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.117 -2.656 -14.908 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.576 -1.807 -13.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.303 -0.579 -14.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.850 0.299 -14.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.375 -0.524 -16.040 1.00 0.00 H new ATOM 813 N TRP A 57 -5.050 -2.053 -11.152 1.00 0.00 N ATOM 814 CA TRP A 57 -4.513 -2.254 -9.812 1.00 0.00 C ATOM 815 C TRP A 57 -5.565 -1.948 -8.752 1.00 0.00 C ATOM 816 O TRP A 57 -6.276 -0.946 -8.840 1.00 0.00 O ATOM 817 CB TRP A 57 -3.282 -1.371 -9.596 1.00 0.00 C ATOM 818 CG TRP A 57 -2.605 -1.608 -8.280 1.00 0.00 C ATOM 819 CD1 TRP A 57 -1.600 -2.497 -8.024 1.00 0.00 C ATOM 820 CD2 TRP A 57 -2.884 -0.947 -7.041 1.00 0.00 C ATOM 821 NE1 TRP A 57 -1.238 -2.429 -6.700 1.00 0.00 N ATOM 822 CE2 TRP A 57 -2.010 -1.485 -6.076 1.00 0.00 C ATOM 823 CE3 TRP A 57 -3.786 0.048 -6.653 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -2.015 -1.061 -4.750 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -3.789 0.467 -5.337 1.00 0.00 C ATOM 826 CH2 TRP A 57 -2.908 -0.086 -4.398 1.00 0.00 C ATOM 0 H TRP A 57 -5.495 -1.147 -11.297 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.223 -3.300 -9.717 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.569 -1.551 -10.401 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.579 -0.324 -9.661 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.155 -3.156 -8.755 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.512 -2.990 -6.254 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.468 0.481 -7.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.338 -1.487 -4.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.483 1.234 -5.026 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.934 0.264 -3.377 1.00 0.00 H new ATOM 837 N TYR A 58 -5.660 -2.816 -7.751 1.00 0.00 N ATOM 838 CA TYR A 58 -6.628 -2.639 -6.675 1.00 0.00 C ATOM 839 C TYR A 58 -5.957 -2.775 -5.311 1.00 0.00 C ATOM 840 O TYR A 58 -5.265 -3.757 -5.041 1.00 0.00 O ATOM 841 CB TYR A 58 -7.758 -3.661 -6.804 1.00 0.00 C ATOM 842 CG TYR A 58 -8.660 -3.420 -7.993 1.00 0.00 C ATOM 843 CD1 TYR A 58 -8.297 -3.851 -9.264 1.00 0.00 C ATOM 844 CD2 TYR A 58 -9.874 -2.761 -7.848 1.00 0.00 C ATOM 845 CE1 TYR A 58 -9.117 -3.632 -10.354 1.00 0.00 C ATOM 846 CE2 TYR A 58 -10.701 -2.539 -8.932 1.00 0.00 C ATOM 847 CZ TYR A 58 -10.318 -2.976 -10.183 1.00 0.00 C ATOM 848 OH TYR A 58 -11.138 -2.756 -11.265 1.00 0.00 O ATOM 0 H TYR A 58 -5.078 -3.649 -7.662 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.044 -1.635 -6.757 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.327 -4.659 -6.882 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.358 -3.644 -5.894 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.358 -4.366 -9.402 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.177 -2.416 -6.870 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.819 -3.973 -11.335 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.642 -2.026 -8.801 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.945 -2.283 -10.973 1.00 0.00 H new ATOM 858 N CYS A 59 -6.168 -1.782 -4.454 1.00 0.00 N ATOM 859 CA CYS A 59 -5.586 -1.788 -3.117 1.00 0.00 C ATOM 860 C CYS A 59 -5.853 -3.116 -2.414 1.00 0.00 C ATOM 861 O CYS A 59 -6.816 -3.822 -2.712 1.00 0.00 O ATOM 862 CB CYS A 59 -6.152 -0.635 -2.286 1.00 0.00 C ATOM 863 SG CYS A 59 -7.784 -0.978 -1.553 1.00 0.00 S ATOM 0 H CYS A 59 -6.738 -0.962 -4.662 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.508 -1.660 -3.216 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.449 -0.398 -1.487 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.228 0.251 -2.917 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.657 -1.152 -2.500 1.00 0.00 H new ATOM 868 N PRO A 60 -4.981 -3.464 -1.456 1.00 0.00 N ATOM 869 CA PRO A 60 -5.101 -4.708 -0.690 1.00 0.00 C ATOM 870 C PRO A 60 -6.290 -4.687 0.265 1.00 0.00 C ATOM 871 O PRO A 60 -6.579 -5.679 0.935 1.00 0.00 O ATOM 872 CB PRO A 60 -3.788 -4.770 0.094 1.00 0.00 C ATOM 873 CG PRO A 60 -3.348 -3.352 0.211 1.00 0.00 C ATOM 874 CD PRO A 60 -3.809 -2.670 -1.048 1.00 0.00 C ATOM 0 HA PRO A 60 -5.269 -5.570 -1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.934 -5.221 1.075 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.044 -5.373 -0.427 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.783 -2.880 1.092 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.265 -3.287 0.316 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.073 -1.628 -0.867 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.034 -2.674 -1.814 1.00 0.00 H new ATOM 882 N LYS A 61 -6.978 -3.552 0.322 1.00 0.00 N ATOM 883 CA LYS A 61 -8.138 -3.402 1.193 1.00 0.00 C ATOM 884 C LYS A 61 -9.428 -3.711 0.439 1.00 0.00 C ATOM 885 O LYS A 61 -10.449 -4.039 1.045 1.00 0.00 O ATOM 886 CB LYS A 61 -8.195 -1.982 1.760 1.00 0.00 C ATOM 887 CG LYS A 61 -7.490 -1.833 3.098 1.00 0.00 C ATOM 888 CD LYS A 61 -8.186 -0.814 3.984 1.00 0.00 C ATOM 889 CE LYS A 61 -8.156 0.575 3.367 1.00 0.00 C ATOM 890 NZ LYS A 61 -9.159 1.482 3.992 1.00 0.00 N ATOM 0 H LYS A 61 -6.752 -2.721 -0.225 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.039 -4.112 2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.745 -1.295 1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.238 -1.686 1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.461 -2.798 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.456 -1.528 2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.220 -1.118 4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.703 -0.790 4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.160 1.002 3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.350 0.501 2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.541 2.127 3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.933 0.917 4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.704 2.036 4.746 1.00 0.00 H new ATOM 904 N CYS A 62 -9.374 -3.607 -0.884 1.00 0.00 N ATOM 905 CA CYS A 62 -10.538 -3.876 -1.721 1.00 0.00 C ATOM 906 C CYS A 62 -10.518 -5.314 -2.233 1.00 0.00 C ATOM 907 O CYS A 62 -11.483 -6.058 -2.061 1.00 0.00 O ATOM 908 CB CYS A 62 -10.580 -2.903 -2.901 1.00 0.00 C ATOM 909 SG CYS A 62 -10.914 -1.176 -2.428 1.00 0.00 S ATOM 0 H CYS A 62 -8.536 -3.338 -1.400 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.432 -3.737 -1.113 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -9.627 -2.946 -3.428 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.347 -3.232 -3.602 1.00 0.00 H new ATOM 0 HG CYS A 62 -9.985 -0.760 -1.619 1.00 0.00 H new ATOM 914 N ARG A 63 -9.412 -5.696 -2.863 1.00 0.00 N ATOM 915 CA ARG A 63 -9.266 -7.043 -3.401 1.00 0.00 C ATOM 916 C ARG A 63 -9.474 -8.090 -2.311 1.00 0.00 C ATOM 917 O ARG A 63 -9.920 -9.204 -2.582 1.00 0.00 O ATOM 918 CB ARG A 63 -7.883 -7.216 -4.032 1.00 0.00 C ATOM 919 CG ARG A 63 -6.751 -7.253 -3.019 1.00 0.00 C ATOM 920 CD ARG A 63 -5.491 -7.862 -3.612 1.00 0.00 C ATOM 921 NE ARG A 63 -5.541 -9.322 -3.623 1.00 0.00 N ATOM 922 CZ ARG A 63 -4.826 -10.076 -4.450 1.00 0.00 C ATOM 923 NH1 ARG A 63 -4.009 -9.511 -5.328 1.00 0.00 N ATOM 924 NH2 ARG A 63 -4.926 -11.398 -4.398 1.00 0.00 N ATOM 0 H ARG A 63 -8.604 -5.092 -3.013 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.028 -7.185 -4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.871 -8.139 -4.612 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.707 -6.398 -4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.539 -6.242 -2.672 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.060 -7.831 -2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.356 -7.496 -4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.625 -7.533 -3.038 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.159 -9.788 -2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.929 -8.495 -5.369 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.461 -10.092 -5.962 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.552 -11.836 -3.723 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.377 -11.976 -5.034 1.00 0.00 H new