USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=21 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 170:sc= 0.539 USER MOD Set 1.2: A 21 CYS SG : rot -75:sc= -0.809 USER MOD Set 1.3: A 26 TYR OH : rot -102:sc= 0.0401 USER MOD Set 1.4: A 29 MET CE :methyl 173:sc= -3.87! (180deg=-3.85!) USER MOD Set 1.5: A 43 HIS : no HD1:sc= -1.05 X(o=-5.2,f=-5.5) USER MOD Set 1.6: A 46 CYS SG : rot 178:sc= 0 USER MOD Set 2.1: A 32 CYS SG : rot -153:sc= -1.05 USER MOD Set 2.2: A 34 ASN :FLIP amide:sc= 0.0793 F(o=0.91,f=1.8) USER MOD Set 2.3: A 36 GLN :FLIP amide:sc= -0.702 F(o=-0.69,f=1.8) USER MOD Set 2.4: A 37 CYS SG : rot 94:sc= 0.508 USER MOD Set 2.5: A 59 CYS SG : rot -58:sc= 0.963 USER MOD Set 2.6: A 62 CYS SG : rot 65:sc= 2.02 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 23 GLN : amide:sc=-0.00908 K(o=-0.0091,f=-1.5) USER MOD Single : A 25 SER OG : rot 14:sc= 0.767 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -61:sc= 0.445 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+ -171:sc= 0.00481 (180deg=0.000313) USER MOD Single : A 54 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0292) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -86:sc= 1.02 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 185 N PRO A 16 -4.124 15.719 5.774 1.00 0.00 N ATOM 186 CA PRO A 16 -4.781 14.416 5.906 1.00 0.00 C ATOM 187 C PRO A 16 -3.923 13.276 5.369 1.00 0.00 C ATOM 188 O PRO A 16 -2.909 13.506 4.709 1.00 0.00 O ATOM 189 CB PRO A 16 -6.051 14.572 5.065 1.00 0.00 C ATOM 190 CG PRO A 16 -5.717 15.628 4.069 1.00 0.00 C ATOM 191 CD PRO A 16 -4.774 16.571 4.765 1.00 0.00 C ATOM 0 HA PRO A 16 -4.972 14.160 6.948 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.319 13.636 4.575 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.901 14.864 5.682 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.253 15.196 3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.615 16.149 3.737 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.049 16.998 4.072 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.305 17.404 5.225 1.00 0.00 H new ATOM 199 N THR A 17 -4.335 12.045 5.655 1.00 0.00 N ATOM 200 CA THR A 17 -3.604 10.869 5.201 1.00 0.00 C ATOM 201 C THR A 17 -4.480 9.980 4.326 1.00 0.00 C ATOM 202 O THR A 17 -5.699 9.939 4.491 1.00 0.00 O ATOM 203 CB THR A 17 -3.077 10.042 6.389 1.00 0.00 C ATOM 204 OG1 THR A 17 -4.172 9.458 7.103 1.00 0.00 O ATOM 205 CG2 THR A 17 -2.255 10.909 7.330 1.00 0.00 C ATOM 0 H THR A 17 -5.172 11.837 6.200 1.00 0.00 H new ATOM 0 HA THR A 17 -2.758 11.230 4.615 1.00 0.00 H new ATOM 0 HB THR A 17 -2.437 9.252 5.998 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.829 8.933 7.856 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.894 10.303 8.161 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.406 11.328 6.790 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.876 11.719 7.714 1.00 0.00 H new ATOM 213 N TYR A 18 -3.851 9.269 3.397 1.00 0.00 N ATOM 214 CA TYR A 18 -4.575 8.381 2.494 1.00 0.00 C ATOM 215 C TYR A 18 -4.116 6.937 2.667 1.00 0.00 C ATOM 216 O TYR A 18 -4.916 6.051 2.970 1.00 0.00 O ATOM 217 CB TYR A 18 -4.375 8.821 1.043 1.00 0.00 C ATOM 218 CG TYR A 18 -4.877 10.219 0.759 1.00 0.00 C ATOM 219 CD1 TYR A 18 -4.272 11.327 1.339 1.00 0.00 C ATOM 220 CD2 TYR A 18 -5.956 10.431 -0.090 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.728 12.605 1.082 1.00 0.00 C ATOM 222 CE2 TYR A 18 -6.418 11.706 -0.353 1.00 0.00 C ATOM 223 CZ TYR A 18 -5.801 12.790 0.236 1.00 0.00 C ATOM 224 OH TYR A 18 -6.258 14.062 -0.023 1.00 0.00 O ATOM 0 H TYR A 18 -2.842 9.290 3.249 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.635 8.439 2.741 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.314 8.769 0.799 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.888 8.119 0.385 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.431 11.187 2.002 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.442 9.585 -0.552 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.246 13.456 1.541 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.258 11.853 -1.016 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.019 14.017 -0.639 1.00 0.00 H new ATOM 234 N CYS A 19 -2.822 6.706 2.473 1.00 0.00 N ATOM 235 CA CYS A 19 -2.254 5.370 2.608 1.00 0.00 C ATOM 236 C CYS A 19 -2.614 4.759 3.959 1.00 0.00 C ATOM 237 O CYS A 19 -3.009 5.466 4.887 1.00 0.00 O ATOM 238 CB CYS A 19 -0.733 5.422 2.448 1.00 0.00 C ATOM 239 SG CYS A 19 0.029 3.812 2.064 1.00 0.00 S ATOM 0 H CYS A 19 -2.146 7.428 2.222 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.675 4.742 1.822 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.486 6.128 1.655 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.295 5.810 3.368 1.00 0.00 H new ATOM 0 HG CYS A 19 1.274 3.989 1.735 1.00 0.00 H new ATOM 244 N LEU A 20 -2.475 3.442 4.062 1.00 0.00 N ATOM 245 CA LEU A 20 -2.786 2.735 5.299 1.00 0.00 C ATOM 246 C LEU A 20 -1.846 3.164 6.422 1.00 0.00 C ATOM 247 O LEU A 20 -2.261 3.307 7.572 1.00 0.00 O ATOM 248 CB LEU A 20 -2.686 1.223 5.085 1.00 0.00 C ATOM 249 CG LEU A 20 -3.382 0.675 3.839 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.694 -0.592 3.357 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.853 0.409 4.125 1.00 0.00 C ATOM 0 H LEU A 20 -2.149 2.842 3.304 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.806 2.988 5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.631 0.952 5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.104 0.724 5.959 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.314 1.423 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.203 -0.967 2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.655 -0.371 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.730 -1.347 4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.333 0.019 3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.941 -0.321 4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.340 1.338 4.423 1.00 0.00 H new ATOM 263 N CYS A 21 -0.579 3.369 6.080 1.00 0.00 N ATOM 264 CA CYS A 21 0.420 3.783 7.057 1.00 0.00 C ATOM 265 C CYS A 21 0.064 5.140 7.658 1.00 0.00 C ATOM 266 O CYS A 21 0.694 5.593 8.612 1.00 0.00 O ATOM 267 CB CYS A 21 1.804 3.848 6.408 1.00 0.00 C ATOM 268 SG CYS A 21 1.927 5.044 5.038 1.00 0.00 S ATOM 0 H CYS A 21 -0.219 3.255 5.132 1.00 0.00 H new ATOM 0 HA CYS A 21 0.436 3.043 7.857 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.539 4.107 7.170 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.066 2.857 6.036 1.00 0.00 H new ATOM 0 HG CYS A 21 1.335 4.561 3.986 1.00 0.00 H new ATOM 273 N ASN A 22 -0.951 5.784 7.090 1.00 0.00 N ATOM 274 CA ASN A 22 -1.392 7.089 7.569 1.00 0.00 C ATOM 275 C ASN A 22 -0.296 8.134 7.384 1.00 0.00 C ATOM 276 O ASN A 22 0.080 8.826 8.330 1.00 0.00 O ATOM 277 CB ASN A 22 -1.792 7.007 9.043 1.00 0.00 C ATOM 278 CG ASN A 22 -3.254 6.652 9.227 1.00 0.00 C ATOM 279 OD1 ASN A 22 -3.798 5.819 8.502 1.00 0.00 O ATOM 280 ND2 ASN A 22 -3.899 7.285 10.201 1.00 0.00 N ATOM 0 H ASN A 22 -1.483 5.423 6.298 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.260 7.390 6.982 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.174 6.261 9.543 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.590 7.963 9.525 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.885 7.088 10.372 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.408 7.968 10.778 1.00 0.00 H new ATOM 287 N GLN A 23 0.211 8.243 6.161 1.00 0.00 N ATOM 288 CA GLN A 23 1.263 9.204 5.853 1.00 0.00 C ATOM 289 C GLN A 23 0.859 10.100 4.687 1.00 0.00 C ATOM 290 O GLN A 23 0.003 9.738 3.880 1.00 0.00 O ATOM 291 CB GLN A 23 2.567 8.476 5.523 1.00 0.00 C ATOM 292 CG GLN A 23 3.319 7.987 6.751 1.00 0.00 C ATOM 293 CD GLN A 23 4.050 9.103 7.470 1.00 0.00 C ATOM 294 OE1 GLN A 23 3.950 10.271 7.092 1.00 0.00 O ATOM 295 NE2 GLN A 23 4.792 8.749 8.513 1.00 0.00 N ATOM 0 H GLN A 23 -0.090 7.678 5.367 1.00 0.00 H new ATOM 0 HA GLN A 23 1.416 9.830 6.732 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.345 7.624 4.880 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.213 9.145 4.954 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.617 7.516 7.439 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.035 7.222 6.453 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.846 7.769 8.791 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.308 9.457 9.036 1.00 0.00 H new ATOM 304 N VAL A 24 1.480 11.273 4.605 1.00 0.00 N ATOM 305 CA VAL A 24 1.185 12.221 3.537 1.00 0.00 C ATOM 306 C VAL A 24 1.608 11.669 2.180 1.00 0.00 C ATOM 307 O VAL A 24 2.561 10.897 2.082 1.00 0.00 O ATOM 308 CB VAL A 24 1.890 13.569 3.774 1.00 0.00 C ATOM 309 CG1 VAL A 24 1.364 14.233 5.037 1.00 0.00 C ATOM 310 CG2 VAL A 24 3.397 13.376 3.851 1.00 0.00 C ATOM 0 H VAL A 24 2.190 11.589 5.265 1.00 0.00 H new ATOM 0 HA VAL A 24 0.106 12.378 3.541 1.00 0.00 H new ATOM 0 HB VAL A 24 1.673 14.225 2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.874 15.184 5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.293 14.408 4.937 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.547 13.584 5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.879 14.339 4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.636 12.702 4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.757 12.948 2.915 1.00 0.00 H new ATOM 320 N SER A 25 0.892 12.072 1.135 1.00 0.00 N ATOM 321 CA SER A 25 1.191 11.615 -0.217 1.00 0.00 C ATOM 322 C SER A 25 2.623 11.970 -0.606 1.00 0.00 C ATOM 323 O SER A 25 3.003 13.141 -0.619 1.00 0.00 O ATOM 324 CB SER A 25 0.211 12.235 -1.216 1.00 0.00 C ATOM 325 OG SER A 25 0.519 13.597 -1.454 1.00 0.00 O ATOM 0 H SER A 25 0.102 12.713 1.199 1.00 0.00 H new ATOM 0 HA SER A 25 1.085 10.530 -0.239 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.245 11.682 -2.155 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.806 12.150 -0.833 1.00 0.00 H new ATOM 0 HG SER A 25 1.412 13.797 -1.102 1.00 0.00 H new ATOM 331 N TYR A 26 3.413 10.950 -0.923 1.00 0.00 N ATOM 332 CA TYR A 26 4.804 11.152 -1.310 1.00 0.00 C ATOM 333 C TYR A 26 5.253 10.087 -2.306 1.00 0.00 C ATOM 334 O TYR A 26 4.515 9.148 -2.602 1.00 0.00 O ATOM 335 CB TYR A 26 5.708 11.126 -0.076 1.00 0.00 C ATOM 336 CG TYR A 26 5.749 9.782 0.616 1.00 0.00 C ATOM 337 CD1 TYR A 26 6.344 8.683 0.008 1.00 0.00 C ATOM 338 CD2 TYR A 26 5.191 9.610 1.877 1.00 0.00 C ATOM 339 CE1 TYR A 26 6.383 7.453 0.636 1.00 0.00 C ATOM 340 CE2 TYR A 26 5.227 8.384 2.513 1.00 0.00 C ATOM 341 CZ TYR A 26 5.824 7.309 1.888 1.00 0.00 C ATOM 342 OH TYR A 26 5.861 6.086 2.518 1.00 0.00 O ATOM 0 H TYR A 26 3.114 9.975 -0.920 1.00 0.00 H new ATOM 0 HA TYR A 26 4.883 12.128 -1.789 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.720 11.404 -0.371 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.364 11.880 0.632 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.784 8.792 -0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.721 10.449 2.368 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.849 6.609 0.149 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.790 8.268 3.494 1.00 0.00 H new ATOM 0 HH TYR A 26 4.985 5.653 2.444 1.00 0.00 H new ATOM 352 N GLY A 27 6.470 10.241 -2.819 1.00 0.00 N ATOM 353 CA GLY A 27 6.998 9.285 -3.775 1.00 0.00 C ATOM 354 C GLY A 27 5.964 8.857 -4.798 1.00 0.00 C ATOM 355 O GLY A 27 5.009 9.585 -5.065 1.00 0.00 O ATOM 0 H GLY A 27 7.099 11.010 -2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.853 9.724 -4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.363 8.407 -3.242 1.00 0.00 H new ATOM 359 N GLU A 28 6.156 7.673 -5.371 1.00 0.00 N ATOM 360 CA GLU A 28 5.233 7.151 -6.372 1.00 0.00 C ATOM 361 C GLU A 28 3.988 6.566 -5.711 1.00 0.00 C ATOM 362 O GLU A 28 4.075 5.896 -4.683 1.00 0.00 O ATOM 363 CB GLU A 28 5.921 6.083 -7.224 1.00 0.00 C ATOM 364 CG GLU A 28 6.943 6.645 -8.197 1.00 0.00 C ATOM 365 CD GLU A 28 8.322 6.779 -7.581 1.00 0.00 C ATOM 366 OE1 GLU A 28 8.407 6.930 -6.344 1.00 0.00 O ATOM 367 OE2 GLU A 28 9.317 6.733 -8.335 1.00 0.00 O ATOM 0 H GLU A 28 6.942 7.058 -5.159 1.00 0.00 H new ATOM 0 HA GLU A 28 4.928 7.977 -7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.414 5.367 -6.566 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.164 5.533 -7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.001 5.997 -9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.608 7.622 -8.546 1.00 0.00 H new ATOM 374 N MET A 29 2.830 6.826 -6.310 1.00 0.00 N ATOM 375 CA MET A 29 1.567 6.325 -5.780 1.00 0.00 C ATOM 376 C MET A 29 0.638 5.891 -6.909 1.00 0.00 C ATOM 377 O MET A 29 0.733 6.392 -8.030 1.00 0.00 O ATOM 378 CB MET A 29 0.886 7.397 -4.927 1.00 0.00 C ATOM 379 CG MET A 29 1.366 7.421 -3.485 1.00 0.00 C ATOM 380 SD MET A 29 0.532 8.677 -2.496 1.00 0.00 S ATOM 381 CE MET A 29 -0.637 7.670 -1.586 1.00 0.00 C ATOM 0 H MET A 29 2.740 7.380 -7.162 1.00 0.00 H new ATOM 0 HA MET A 29 1.782 5.457 -5.156 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.063 8.374 -5.377 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.191 7.230 -4.940 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.202 6.442 -3.035 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.440 7.604 -3.467 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.142 8.283 -0.840 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.374 7.256 -2.274 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.107 6.857 -1.089 1.00 0.00 H new ATOM 391 N ILE A 30 -0.259 4.958 -6.607 1.00 0.00 N ATOM 392 CA ILE A 30 -1.205 4.459 -7.597 1.00 0.00 C ATOM 393 C ILE A 30 -2.644 4.706 -7.156 1.00 0.00 C ATOM 394 O ILE A 30 -2.928 4.820 -5.964 1.00 0.00 O ATOM 395 CB ILE A 30 -1.010 2.953 -7.852 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.508 2.141 -6.655 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.454 2.649 -8.133 1.00 0.00 C ATOM 398 CD1 ILE A 30 -0.694 2.356 -5.398 1.00 0.00 C ATOM 0 H ILE A 30 -0.350 4.533 -5.684 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.012 5.004 -8.521 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.595 2.669 -8.727 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.547 2.404 -6.455 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.491 1.082 -6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.576 1.581 -8.311 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.778 3.203 -9.014 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.058 2.945 -7.275 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.104 1.749 -4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.341 2.066 -5.580 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.731 3.408 -5.116 1.00 0.00 H new ATOM 410 N GLY A 31 -3.549 4.786 -8.126 1.00 0.00 N ATOM 411 CA GLY A 31 -4.948 5.017 -7.818 1.00 0.00 C ATOM 412 C GLY A 31 -5.779 3.752 -7.910 1.00 0.00 C ATOM 413 O GLY A 31 -5.925 3.173 -8.987 1.00 0.00 O ATOM 0 H GLY A 31 -3.338 4.695 -9.120 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.032 5.431 -6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.350 5.762 -8.504 1.00 0.00 H new ATOM 417 N CYS A 32 -6.325 3.321 -6.778 1.00 0.00 N ATOM 418 CA CYS A 32 -7.143 2.115 -6.734 1.00 0.00 C ATOM 419 C CYS A 32 -8.251 2.171 -7.783 1.00 0.00 C ATOM 420 O CYS A 32 -9.213 2.927 -7.645 1.00 0.00 O ATOM 421 CB CYS A 32 -7.753 1.937 -5.342 1.00 0.00 C ATOM 422 SG CYS A 32 -8.948 0.568 -5.223 1.00 0.00 S ATOM 0 H CYS A 32 -6.216 3.789 -5.878 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.501 1.262 -6.954 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.950 1.768 -4.624 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.249 2.864 -5.053 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.796 0.814 -4.269 1.00 0.00 H new ATOM 427 N ASP A 33 -8.108 1.366 -8.830 1.00 0.00 N ATOM 428 CA ASP A 33 -9.096 1.323 -9.902 1.00 0.00 C ATOM 429 C ASP A 33 -10.503 1.534 -9.352 1.00 0.00 C ATOM 430 O ASP A 33 -11.337 2.178 -9.987 1.00 0.00 O ATOM 431 CB ASP A 33 -9.019 -0.014 -10.641 1.00 0.00 C ATOM 432 CG ASP A 33 -9.795 -0.001 -11.943 1.00 0.00 C ATOM 433 OD1 ASP A 33 -11.039 0.100 -11.891 1.00 0.00 O ATOM 434 OD2 ASP A 33 -9.159 -0.092 -13.014 1.00 0.00 O ATOM 0 H ASP A 33 -7.318 0.734 -8.959 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.874 2.129 -10.601 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.975 -0.253 -10.846 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.407 -0.804 -9.998 1.00 0.00 H new ATOM 439 N ASN A 34 -10.759 0.987 -8.168 1.00 0.00 N ATOM 440 CA ASN A 34 -12.066 1.114 -7.534 1.00 0.00 C ATOM 441 C ASN A 34 -12.358 2.568 -7.177 1.00 0.00 C ATOM 442 O ASN A 34 -11.931 3.059 -6.132 1.00 0.00 O ATOM 443 CB ASN A 34 -12.132 0.245 -6.276 1.00 0.00 C ATOM 444 CG ASN A 34 -13.548 0.089 -5.756 1.00 0.00 C ATOM 445 OD1 ASN A 34 -13.732 0.323 -4.462 1.00 0.00 O flip ATOM 446 ND2 ASN A 34 -14.465 -0.239 -6.508 1.00 0.00 N flip ATOM 0 H ASN A 34 -10.079 0.452 -7.628 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.821 0.774 -8.243 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.718 -0.739 -6.495 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.509 0.687 -5.499 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.278 -0.409 -7.496 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.412 -0.341 -6.143 1.00 0.00 H new ATOM 453 N GLU A 35 -13.089 3.252 -8.053 1.00 0.00 N ATOM 454 CA GLU A 35 -13.438 4.650 -7.830 1.00 0.00 C ATOM 455 C GLU A 35 -14.002 4.852 -6.426 1.00 0.00 C ATOM 456 O GLU A 35 -13.525 5.700 -5.672 1.00 0.00 O ATOM 457 CB GLU A 35 -14.455 5.117 -8.873 1.00 0.00 C ATOM 458 CG GLU A 35 -13.854 5.343 -10.250 1.00 0.00 C ATOM 459 CD GLU A 35 -12.589 6.177 -10.206 1.00 0.00 C ATOM 460 OE1 GLU A 35 -12.701 7.420 -10.147 1.00 0.00 O ATOM 461 OE2 GLU A 35 -11.488 5.589 -10.230 1.00 0.00 O ATOM 0 H GLU A 35 -13.450 2.860 -8.923 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.530 5.245 -7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -15.250 4.376 -8.950 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.915 6.044 -8.530 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.633 4.379 -10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.588 5.837 -10.886 1.00 0.00 H new ATOM 468 N GLN A 36 -15.019 4.069 -6.085 1.00 0.00 N ATOM 469 CA GLN A 36 -15.649 4.163 -4.774 1.00 0.00 C ATOM 470 C GLN A 36 -14.608 4.400 -3.685 1.00 0.00 C ATOM 471 O GLN A 36 -14.788 5.251 -2.813 1.00 0.00 O ATOM 472 CB GLN A 36 -16.439 2.889 -4.471 1.00 0.00 C ATOM 473 CG GLN A 36 -17.702 2.743 -5.305 1.00 0.00 C ATOM 474 CD GLN A 36 -17.452 2.036 -6.623 1.00 0.00 C ATOM 475 OE1 GLN A 36 -16.888 0.836 -6.554 1.00 0.00 O flip ATOM 476 NE2 GLN A 36 -17.763 2.563 -7.692 1.00 0.00 N flip ATOM 0 H GLN A 36 -15.425 3.362 -6.698 1.00 0.00 H new ATOM 0 HA GLN A 36 -16.333 5.012 -4.789 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.798 2.024 -4.643 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.708 2.881 -3.415 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -18.447 2.188 -4.735 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -18.120 3.730 -5.500 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -18.195 3.487 -7.698 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -17.589 2.075 -8.571 1.00 0.00 H new ATOM 485 N CYS A 37 -13.518 3.642 -3.741 1.00 0.00 N ATOM 486 CA CYS A 37 -12.447 3.768 -2.760 1.00 0.00 C ATOM 487 C CYS A 37 -12.226 5.230 -2.380 1.00 0.00 C ATOM 488 O CYS A 37 -11.830 6.058 -3.201 1.00 0.00 O ATOM 489 CB CYS A 37 -11.150 3.172 -3.311 1.00 0.00 C ATOM 490 SG CYS A 37 -10.049 2.481 -2.034 1.00 0.00 S ATOM 0 H CYS A 37 -13.353 2.934 -4.456 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.741 3.219 -1.866 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.398 2.387 -4.025 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.612 3.945 -3.860 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.280 1.208 -1.905 1.00 0.00 H new ATOM 495 N PRO A 38 -12.489 5.556 -1.106 1.00 0.00 N ATOM 496 CA PRO A 38 -12.326 6.917 -0.588 1.00 0.00 C ATOM 497 C PRO A 38 -10.861 7.331 -0.495 1.00 0.00 C ATOM 498 O PRO A 38 -10.549 8.480 -0.180 1.00 0.00 O ATOM 499 CB PRO A 38 -12.950 6.842 0.808 1.00 0.00 C ATOM 500 CG PRO A 38 -12.831 5.410 1.200 1.00 0.00 C ATOM 501 CD PRO A 38 -12.964 4.620 -0.073 1.00 0.00 C ATOM 0 HA PRO A 38 -12.790 7.659 -1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.426 7.490 1.511 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.991 7.163 0.794 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.873 5.216 1.682 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.608 5.135 1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.363 3.711 -0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.995 4.315 -0.251 1.00 0.00 H new ATOM 509 N ILE A 39 -9.966 6.388 -0.770 1.00 0.00 N ATOM 510 CA ILE A 39 -8.534 6.656 -0.719 1.00 0.00 C ATOM 511 C ILE A 39 -7.947 6.776 -2.121 1.00 0.00 C ATOM 512 O ILE A 39 -7.328 7.784 -2.460 1.00 0.00 O ATOM 513 CB ILE A 39 -7.782 5.551 0.047 1.00 0.00 C ATOM 514 CG1 ILE A 39 -8.262 5.491 1.499 1.00 0.00 C ATOM 515 CG2 ILE A 39 -6.281 5.795 -0.011 1.00 0.00 C ATOM 516 CD1 ILE A 39 -7.740 4.291 2.258 1.00 0.00 C ATOM 0 H ILE A 39 -10.207 5.432 -1.030 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.408 7.602 -0.193 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.993 4.592 -0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.951 6.400 2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.352 5.474 1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.763 5.006 0.535 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.952 5.794 -1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.051 6.760 0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.120 4.313 3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.073 3.377 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.650 4.317 2.276 1.00 0.00 H new ATOM 528 N GLU A 40 -8.147 5.742 -2.932 1.00 0.00 N ATOM 529 CA GLU A 40 -7.638 5.733 -4.298 1.00 0.00 C ATOM 530 C GLU A 40 -6.239 6.340 -4.361 1.00 0.00 C ATOM 531 O GLU A 40 -5.891 7.022 -5.325 1.00 0.00 O ATOM 532 CB GLU A 40 -8.583 6.503 -5.223 1.00 0.00 C ATOM 533 CG GLU A 40 -9.751 5.672 -5.728 1.00 0.00 C ATOM 534 CD GLU A 40 -10.329 6.206 -7.024 1.00 0.00 C ATOM 535 OE1 GLU A 40 -9.842 5.804 -8.101 1.00 0.00 O ATOM 536 OE2 GLU A 40 -11.269 7.026 -6.960 1.00 0.00 O ATOM 0 H GLU A 40 -8.658 4.900 -2.667 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.581 4.697 -4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.970 7.373 -4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.018 6.877 -6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.423 4.643 -5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.532 5.650 -4.968 1.00 0.00 H new ATOM 543 N TRP A 41 -5.445 6.089 -3.327 1.00 0.00 N ATOM 544 CA TRP A 41 -4.084 6.612 -3.265 1.00 0.00 C ATOM 545 C TRP A 41 -3.256 5.851 -2.236 1.00 0.00 C ATOM 546 O TRP A 41 -3.527 5.913 -1.036 1.00 0.00 O ATOM 547 CB TRP A 41 -4.104 8.102 -2.920 1.00 0.00 C ATOM 548 CG TRP A 41 -4.647 8.959 -4.023 1.00 0.00 C ATOM 549 CD1 TRP A 41 -5.782 9.719 -3.988 1.00 0.00 C ATOM 550 CD2 TRP A 41 -4.080 9.143 -5.325 1.00 0.00 C ATOM 551 NE1 TRP A 41 -5.954 10.363 -5.189 1.00 0.00 N ATOM 552 CE2 TRP A 41 -4.923 10.027 -6.026 1.00 0.00 C ATOM 553 CE3 TRP A 41 -2.941 8.648 -5.965 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -4.661 10.424 -7.334 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -2.683 9.043 -7.264 1.00 0.00 C ATOM 556 CH2 TRP A 41 -3.539 9.924 -7.937 1.00 0.00 C ATOM 0 H TRP A 41 -5.719 5.527 -2.521 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.625 6.479 -4.244 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.705 8.252 -2.023 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.091 8.426 -2.683 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.446 9.801 -3.140 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.725 10.990 -5.420 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.274 7.969 -5.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.320 11.103 -7.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.806 8.666 -7.769 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.309 10.214 -8.952 1.00 0.00 H new ATOM 567 N PHE A 42 -2.244 5.132 -2.712 1.00 0.00 N ATOM 568 CA PHE A 42 -1.376 4.358 -1.832 1.00 0.00 C ATOM 569 C PHE A 42 0.059 4.355 -2.349 1.00 0.00 C ATOM 570 O PHE A 42 0.297 4.449 -3.554 1.00 0.00 O ATOM 571 CB PHE A 42 -1.889 2.921 -1.710 1.00 0.00 C ATOM 572 CG PHE A 42 -3.276 2.826 -1.142 1.00 0.00 C ATOM 573 CD1 PHE A 42 -3.476 2.778 0.229 1.00 0.00 C ATOM 574 CD2 PHE A 42 -4.380 2.785 -1.978 1.00 0.00 C ATOM 575 CE1 PHE A 42 -4.751 2.690 0.754 1.00 0.00 C ATOM 576 CE2 PHE A 42 -5.658 2.697 -1.458 1.00 0.00 C ATOM 577 CZ PHE A 42 -5.843 2.651 -0.090 1.00 0.00 C ATOM 0 H PHE A 42 -2.005 5.069 -3.702 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.388 4.826 -0.848 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.876 2.454 -2.695 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.207 2.352 -1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.626 2.810 0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.241 2.822 -3.048 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.893 2.652 1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.510 2.664 -2.120 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.840 2.585 0.319 1.00 0.00 H new ATOM 587 N HIS A 43 1.013 4.248 -1.430 1.00 0.00 N ATOM 588 CA HIS A 43 2.426 4.233 -1.792 1.00 0.00 C ATOM 589 C HIS A 43 2.819 2.886 -2.392 1.00 0.00 C ATOM 590 O HIS A 43 2.096 1.899 -2.254 1.00 0.00 O ATOM 591 CB HIS A 43 3.292 4.531 -0.567 1.00 0.00 C ATOM 592 CG HIS A 43 2.886 5.773 0.165 1.00 0.00 C ATOM 593 ND1 HIS A 43 2.724 5.821 1.533 1.00 0.00 N ATOM 594 CD2 HIS A 43 2.610 7.018 -0.289 1.00 0.00 C ATOM 595 CE1 HIS A 43 2.364 7.041 1.890 1.00 0.00 C ATOM 596 NE2 HIS A 43 2.289 7.787 0.802 1.00 0.00 N ATOM 0 H HIS A 43 0.833 4.170 -0.429 1.00 0.00 H new ATOM 0 HA HIS A 43 2.592 5.007 -2.541 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.244 3.684 0.117 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.331 4.628 -0.882 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.637 7.345 -1.318 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.165 7.372 2.899 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.034 8.774 0.777 1.00 0.00 H new ATOM 604 N PHE A 44 3.968 2.853 -3.058 1.00 0.00 N ATOM 605 CA PHE A 44 4.456 1.628 -3.681 1.00 0.00 C ATOM 606 C PHE A 44 5.074 0.698 -2.640 1.00 0.00 C ATOM 607 O PHE A 44 4.568 -0.395 -2.390 1.00 0.00 O ATOM 608 CB PHE A 44 5.486 1.956 -4.764 1.00 0.00 C ATOM 609 CG PHE A 44 4.872 2.412 -6.056 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.879 3.379 -6.064 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.288 1.875 -7.264 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.312 3.799 -7.252 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.724 2.292 -8.455 1.00 0.00 C ATOM 614 CZ PHE A 44 3.736 3.256 -8.449 1.00 0.00 C ATOM 0 H PHE A 44 4.579 3.661 -3.180 1.00 0.00 H new ATOM 0 HA PHE A 44 3.607 1.120 -4.139 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.155 2.733 -4.395 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.097 1.073 -4.953 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.545 3.809 -5.131 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.062 1.122 -7.275 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.538 4.552 -7.245 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.056 1.864 -9.389 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.295 3.585 -9.379 1.00 0.00 H new ATOM 624 N SER A 45 6.173 1.142 -2.038 1.00 0.00 N ATOM 625 CA SER A 45 6.864 0.349 -1.027 1.00 0.00 C ATOM 626 C SER A 45 5.867 -0.303 -0.073 1.00 0.00 C ATOM 627 O SER A 45 6.097 -1.405 0.426 1.00 0.00 O ATOM 628 CB SER A 45 7.841 1.225 -0.242 1.00 0.00 C ATOM 629 OG SER A 45 8.699 0.435 0.564 1.00 0.00 O ATOM 0 H SER A 45 6.604 2.046 -2.232 1.00 0.00 H new ATOM 0 HA SER A 45 7.421 -0.438 -1.536 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.435 1.823 -0.933 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.286 1.922 0.386 1.00 0.00 H new ATOM 0 HG SER A 45 9.315 1.018 1.055 1.00 0.00 H new ATOM 635 N CYS A 46 4.759 0.387 0.176 1.00 0.00 N ATOM 636 CA CYS A 46 3.726 -0.122 1.070 1.00 0.00 C ATOM 637 C CYS A 46 2.945 -1.255 0.410 1.00 0.00 C ATOM 638 O CYS A 46 2.780 -2.329 0.989 1.00 0.00 O ATOM 639 CB CYS A 46 2.771 1.003 1.473 1.00 0.00 C ATOM 640 SG CYS A 46 3.410 2.084 2.792 1.00 0.00 S ATOM 0 H CYS A 46 4.554 1.300 -0.229 1.00 0.00 H new ATOM 0 HA CYS A 46 4.214 -0.513 1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.551 1.610 0.595 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.829 0.565 1.802 1.00 0.00 H new ATOM 0 HG CYS A 46 2.552 3.031 3.031 1.00 0.00 H new ATOM 645 N VAL A 47 2.467 -1.008 -0.805 1.00 0.00 N ATOM 646 CA VAL A 47 1.705 -2.006 -1.545 1.00 0.00 C ATOM 647 C VAL A 47 2.630 -2.990 -2.253 1.00 0.00 C ATOM 648 O VAL A 47 2.226 -3.668 -3.198 1.00 0.00 O ATOM 649 CB VAL A 47 0.780 -1.349 -2.586 1.00 0.00 C ATOM 650 CG1 VAL A 47 -0.252 -0.466 -1.901 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.594 -0.550 -3.592 1.00 0.00 C ATOM 0 H VAL A 47 2.594 -0.124 -1.298 1.00 0.00 H new ATOM 0 HA VAL A 47 1.097 -2.542 -0.817 1.00 0.00 H new ATOM 0 HB VAL A 47 0.250 -2.135 -3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.897 -0.010 -2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.855 -1.070 -1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.256 0.316 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.925 -0.092 -4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.152 0.229 -3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.290 -1.213 -4.106 1.00 0.00 H new ATOM 661 N SER A 48 3.874 -3.063 -1.790 1.00 0.00 N ATOM 662 CA SER A 48 4.859 -3.961 -2.381 1.00 0.00 C ATOM 663 C SER A 48 4.943 -3.757 -3.890 1.00 0.00 C ATOM 664 O SER A 48 4.790 -4.702 -4.666 1.00 0.00 O ATOM 665 CB SER A 48 4.504 -5.416 -2.070 1.00 0.00 C ATOM 666 OG SER A 48 5.488 -6.301 -2.576 1.00 0.00 O ATOM 0 H SER A 48 4.224 -2.511 -1.007 1.00 0.00 H new ATOM 0 HA SER A 48 5.832 -3.731 -1.946 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.411 -5.548 -0.992 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.534 -5.658 -2.505 1.00 0.00 H new ATOM 0 HG SER A 48 5.546 -6.204 -3.549 1.00 0.00 H new ATOM 672 N LEU A 49 5.187 -2.518 -4.301 1.00 0.00 N ATOM 673 CA LEU A 49 5.292 -2.188 -5.718 1.00 0.00 C ATOM 674 C LEU A 49 6.663 -1.602 -6.040 1.00 0.00 C ATOM 675 O LEU A 49 7.198 -0.790 -5.284 1.00 0.00 O ATOM 676 CB LEU A 49 4.196 -1.197 -6.114 1.00 0.00 C ATOM 677 CG LEU A 49 2.895 -1.809 -6.633 1.00 0.00 C ATOM 678 CD1 LEU A 49 1.891 -0.719 -6.974 1.00 0.00 C ATOM 679 CD2 LEU A 49 3.165 -2.685 -7.848 1.00 0.00 C ATOM 0 H LEU A 49 5.316 -1.725 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 49 5.166 -3.107 -6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.963 -0.578 -5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.594 -0.533 -6.882 1.00 0.00 H new ATOM 0 HG LEU A 49 2.471 -2.433 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.971 -1.174 -7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.674 -0.132 -6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.307 -0.069 -7.743 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.228 -3.112 -8.204 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.613 -2.083 -8.639 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.849 -3.488 -7.573 1.00 0.00 H new ATOM 691 N THR A 50 7.228 -2.018 -7.170 1.00 0.00 N ATOM 692 CA THR A 50 8.536 -1.534 -7.594 1.00 0.00 C ATOM 693 C THR A 50 8.407 -0.516 -8.721 1.00 0.00 C ATOM 694 O THR A 50 9.177 0.442 -8.796 1.00 0.00 O ATOM 695 CB THR A 50 9.438 -2.691 -8.064 1.00 0.00 C ATOM 696 OG1 THR A 50 9.588 -3.653 -7.013 1.00 0.00 O ATOM 697 CG2 THR A 50 10.805 -2.175 -8.486 1.00 0.00 C ATOM 0 H THR A 50 6.800 -2.689 -7.808 1.00 0.00 H new ATOM 0 HA THR A 50 8.992 -1.056 -6.727 1.00 0.00 H new ATOM 0 HB THR A 50 8.965 -3.165 -8.925 1.00 0.00 H new ATOM 0 HG1 THR A 50 10.161 -4.386 -7.320 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.424 -3.010 -8.814 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.689 -1.466 -9.306 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.283 -1.679 -7.642 1.00 0.00 H new ATOM 705 N TYR A 51 7.429 -0.728 -9.594 1.00 0.00 N ATOM 706 CA TYR A 51 7.200 0.171 -10.719 1.00 0.00 C ATOM 707 C TYR A 51 5.709 0.308 -11.013 1.00 0.00 C ATOM 708 O TYR A 51 4.918 -0.582 -10.699 1.00 0.00 O ATOM 709 CB TYR A 51 7.932 -0.337 -11.962 1.00 0.00 C ATOM 710 CG TYR A 51 7.768 -1.822 -12.197 1.00 0.00 C ATOM 711 CD1 TYR A 51 6.518 -2.373 -12.446 1.00 0.00 C ATOM 712 CD2 TYR A 51 8.866 -2.674 -12.169 1.00 0.00 C ATOM 713 CE1 TYR A 51 6.364 -3.729 -12.660 1.00 0.00 C ATOM 714 CE2 TYR A 51 8.721 -4.032 -12.383 1.00 0.00 C ATOM 715 CZ TYR A 51 7.468 -4.554 -12.628 1.00 0.00 C ATOM 716 OH TYR A 51 7.320 -5.905 -12.841 1.00 0.00 O ATOM 0 H TYR A 51 6.782 -1.515 -9.544 1.00 0.00 H new ATOM 0 HA TYR A 51 7.590 1.153 -10.452 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.566 0.203 -12.835 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.993 -0.108 -11.867 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.651 -1.730 -12.473 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.848 -2.268 -11.977 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.384 -4.141 -12.851 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.584 -4.681 -12.358 1.00 0.00 H new ATOM 0 HH TYR A 51 8.195 -6.343 -12.786 1.00 0.00 H new ATOM 726 N LYS A 52 5.333 1.429 -11.619 1.00 0.00 N ATOM 727 CA LYS A 52 3.938 1.684 -11.958 1.00 0.00 C ATOM 728 C LYS A 52 3.422 0.650 -12.953 1.00 0.00 C ATOM 729 O LYS A 52 3.873 0.574 -14.096 1.00 0.00 O ATOM 730 CB LYS A 52 3.783 3.090 -12.542 1.00 0.00 C ATOM 731 CG LYS A 52 2.405 3.691 -12.325 1.00 0.00 C ATOM 732 CD LYS A 52 1.401 3.161 -13.335 1.00 0.00 C ATOM 733 CE LYS A 52 -0.014 3.178 -12.776 1.00 0.00 C ATOM 734 NZ LYS A 52 -1.037 3.184 -13.858 1.00 0.00 N ATOM 0 H LYS A 52 5.975 2.176 -11.885 1.00 0.00 H new ATOM 0 HA LYS A 52 3.349 1.609 -11.044 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.530 3.745 -12.094 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.990 3.055 -13.612 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.062 3.463 -11.316 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.464 4.777 -12.404 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.442 3.764 -14.242 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.670 2.143 -13.617 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.164 2.306 -12.139 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.146 4.058 -12.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.977 3.349 -13.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.819 3.941 -14.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.030 2.267 -14.348 1.00 0.00 H new ATOM 748 N PRO A 53 2.453 -0.166 -12.512 1.00 0.00 N ATOM 749 CA PRO A 53 1.853 -1.209 -13.349 1.00 0.00 C ATOM 750 C PRO A 53 0.993 -0.631 -14.467 1.00 0.00 C ATOM 751 O PRO A 53 0.124 0.208 -14.227 1.00 0.00 O ATOM 752 CB PRO A 53 0.989 -2.001 -12.364 1.00 0.00 C ATOM 753 CG PRO A 53 0.670 -1.033 -11.277 1.00 0.00 C ATOM 754 CD PRO A 53 1.867 -0.131 -11.161 1.00 0.00 C ATOM 0 HA PRO A 53 2.608 -1.811 -13.854 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.083 -2.372 -12.842 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.524 -2.869 -11.977 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.227 -0.462 -11.514 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.479 -1.551 -10.337 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.581 0.881 -10.873 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.569 -0.490 -10.409 1.00 0.00 H new ATOM 762 N LYS A 54 1.239 -1.085 -15.692 1.00 0.00 N ATOM 763 CA LYS A 54 0.486 -0.615 -16.848 1.00 0.00 C ATOM 764 C LYS A 54 -0.841 -1.358 -16.972 1.00 0.00 C ATOM 765 O LYS A 54 -1.293 -1.661 -18.075 1.00 0.00 O ATOM 766 CB LYS A 54 1.307 -0.799 -18.126 1.00 0.00 C ATOM 767 CG LYS A 54 2.427 0.215 -18.281 1.00 0.00 C ATOM 768 CD LYS A 54 2.726 0.496 -19.744 1.00 0.00 C ATOM 769 CE LYS A 54 4.186 0.868 -19.953 1.00 0.00 C ATOM 770 NZ LYS A 54 4.551 2.114 -19.222 1.00 0.00 N ATOM 0 H LYS A 54 1.955 -1.778 -15.909 1.00 0.00 H new ATOM 0 HA LYS A 54 0.277 0.445 -16.707 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.733 -1.802 -18.133 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.643 -0.729 -18.988 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.151 1.143 -17.780 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.326 -0.157 -17.790 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.484 -0.383 -20.341 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.089 1.307 -20.098 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.821 0.049 -19.615 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.378 1.002 -21.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.539 2.362 -19.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.928 2.890 -19.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.441 1.961 -18.199 1.00 0.00 H new ATOM 784 N GLY A 55 -1.461 -1.647 -15.832 1.00 0.00 N ATOM 785 CA GLY A 55 -2.730 -2.350 -15.835 1.00 0.00 C ATOM 786 C GLY A 55 -3.540 -2.092 -14.580 1.00 0.00 C ATOM 787 O GLY A 55 -3.004 -1.637 -13.569 1.00 0.00 O ATOM 0 H GLY A 55 -1.107 -1.407 -14.906 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.309 -2.044 -16.706 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.548 -3.420 -15.933 1.00 0.00 H new ATOM 791 N LYS A 56 -4.835 -2.381 -14.643 1.00 0.00 N ATOM 792 CA LYS A 56 -5.722 -2.178 -13.504 1.00 0.00 C ATOM 793 C LYS A 56 -5.028 -2.559 -12.200 1.00 0.00 C ATOM 794 O LYS A 56 -4.254 -3.515 -12.155 1.00 0.00 O ATOM 795 CB LYS A 56 -7.001 -3.001 -13.673 1.00 0.00 C ATOM 796 CG LYS A 56 -6.745 -4.462 -14.001 1.00 0.00 C ATOM 797 CD LYS A 56 -6.635 -5.305 -12.742 1.00 0.00 C ATOM 798 CE LYS A 56 -6.979 -6.762 -13.015 1.00 0.00 C ATOM 799 NZ LYS A 56 -6.470 -7.662 -11.944 1.00 0.00 N ATOM 0 H LYS A 56 -5.294 -2.757 -15.472 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.982 -1.120 -13.462 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.586 -2.940 -12.755 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.605 -2.560 -14.466 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.553 -4.843 -14.625 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.826 -4.550 -14.580 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.622 -5.237 -12.345 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.304 -4.909 -11.978 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.060 -6.871 -13.097 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.555 -7.062 -13.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.725 -8.645 -12.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.435 -7.578 -11.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.894 -7.392 -11.033 1.00 0.00 H new ATOM 813 N TRP A 57 -5.312 -1.807 -11.143 1.00 0.00 N ATOM 814 CA TRP A 57 -4.715 -2.067 -9.837 1.00 0.00 C ATOM 815 C TRP A 57 -5.688 -1.721 -8.716 1.00 0.00 C ATOM 816 O TRP A 57 -6.147 -0.583 -8.608 1.00 0.00 O ATOM 817 CB TRP A 57 -3.424 -1.265 -9.675 1.00 0.00 C ATOM 818 CG TRP A 57 -2.732 -1.510 -8.368 1.00 0.00 C ATOM 819 CD1 TRP A 57 -1.757 -2.432 -8.117 1.00 0.00 C ATOM 820 CD2 TRP A 57 -2.966 -0.825 -7.132 1.00 0.00 C ATOM 821 NE1 TRP A 57 -1.370 -2.362 -6.800 1.00 0.00 N ATOM 822 CE2 TRP A 57 -2.096 -1.383 -6.175 1.00 0.00 C ATOM 823 CE3 TRP A 57 -3.825 0.207 -6.742 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -2.063 -0.943 -4.855 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -3.790 0.642 -5.431 1.00 0.00 C ATOM 826 CH2 TRP A 57 -2.914 0.068 -4.500 1.00 0.00 C ATOM 0 H TRP A 57 -5.951 -1.013 -11.164 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.483 -3.130 -9.776 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.745 -1.515 -10.490 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.651 -0.203 -9.764 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.349 -3.116 -8.846 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.658 -2.944 -6.360 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.503 0.656 -7.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.389 -1.384 -4.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.449 1.438 -5.118 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.910 0.431 -3.483 1.00 0.00 H new ATOM 837 N TYR A 58 -6.000 -2.708 -7.883 1.00 0.00 N ATOM 838 CA TYR A 58 -6.920 -2.508 -6.771 1.00 0.00 C ATOM 839 C TYR A 58 -6.196 -2.636 -5.434 1.00 0.00 C ATOM 840 O TYR A 58 -5.478 -3.607 -5.194 1.00 0.00 O ATOM 841 CB TYR A 58 -8.066 -3.519 -6.841 1.00 0.00 C ATOM 842 CG TYR A 58 -9.068 -3.223 -7.934 1.00 0.00 C ATOM 843 CD1 TYR A 58 -8.735 -3.391 -9.272 1.00 0.00 C ATOM 844 CD2 TYR A 58 -10.347 -2.775 -7.629 1.00 0.00 C ATOM 845 CE1 TYR A 58 -9.647 -3.121 -10.275 1.00 0.00 C ATOM 846 CE2 TYR A 58 -11.266 -2.504 -8.624 1.00 0.00 C ATOM 847 CZ TYR A 58 -10.911 -2.679 -9.945 1.00 0.00 C ATOM 848 OH TYR A 58 -11.823 -2.409 -10.940 1.00 0.00 O ATOM 0 H TYR A 58 -5.629 -3.655 -7.958 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.328 -1.500 -6.848 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.652 -4.515 -6.999 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.582 -3.537 -5.881 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.746 -3.739 -9.533 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.628 -2.636 -6.595 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.371 -3.255 -11.311 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -12.256 -2.157 -8.369 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.706 -1.487 -11.250 1.00 0.00 H new ATOM 858 N CYS A 59 -6.390 -1.648 -4.566 1.00 0.00 N ATOM 859 CA CYS A 59 -5.757 -1.648 -3.253 1.00 0.00 C ATOM 860 C CYS A 59 -5.984 -2.977 -2.539 1.00 0.00 C ATOM 861 O CYS A 59 -6.962 -3.683 -2.785 1.00 0.00 O ATOM 862 CB CYS A 59 -6.302 -0.499 -2.402 1.00 0.00 C ATOM 863 SG CYS A 59 -7.937 -0.828 -1.669 1.00 0.00 S ATOM 0 H CYS A 59 -6.981 -0.837 -4.749 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.685 -1.511 -3.394 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.593 -0.286 -1.602 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.366 0.397 -3.019 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.790 -1.095 -2.613 1.00 0.00 H new ATOM 868 N PRO A 60 -5.060 -3.327 -1.632 1.00 0.00 N ATOM 869 CA PRO A 60 -5.137 -4.573 -0.863 1.00 0.00 C ATOM 870 C PRO A 60 -6.272 -4.556 0.155 1.00 0.00 C ATOM 871 O PRO A 60 -6.465 -5.515 0.902 1.00 0.00 O ATOM 872 CB PRO A 60 -3.782 -4.636 -0.154 1.00 0.00 C ATOM 873 CG PRO A 60 -3.338 -3.218 -0.058 1.00 0.00 C ATOM 874 CD PRO A 60 -3.868 -2.534 -1.288 1.00 0.00 C ATOM 0 HA PRO A 60 -5.340 -5.434 -1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.872 -5.090 0.833 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.068 -5.237 -0.717 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.724 -2.749 0.847 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.251 -3.152 -0.012 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.121 -1.492 -1.091 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.137 -2.537 -2.096 1.00 0.00 H new ATOM 882 N LYS A 61 -7.021 -3.459 0.181 1.00 0.00 N ATOM 883 CA LYS A 61 -8.139 -3.316 1.107 1.00 0.00 C ATOM 884 C LYS A 61 -9.459 -3.652 0.422 1.00 0.00 C ATOM 885 O LYS A 61 -10.427 -4.045 1.074 1.00 0.00 O ATOM 886 CB LYS A 61 -8.189 -1.891 1.663 1.00 0.00 C ATOM 887 CG LYS A 61 -7.440 -1.723 2.973 1.00 0.00 C ATOM 888 CD LYS A 61 -8.067 -0.644 3.839 1.00 0.00 C ATOM 889 CE LYS A 61 -7.714 -0.832 5.307 1.00 0.00 C ATOM 890 NZ LYS A 61 -8.607 -1.823 5.969 1.00 0.00 N ATOM 0 H LYS A 61 -6.874 -2.655 -0.429 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.988 -4.015 1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.771 -1.207 0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.230 -1.604 1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.436 -2.669 3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.400 -1.468 2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.727 0.336 3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.150 -0.663 3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.679 -1.162 5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.787 0.125 5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.335 -1.923 6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.592 -1.496 5.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.518 -2.743 5.492 1.00 0.00 H new ATOM 904 N CYS A 62 -9.492 -3.497 -0.898 1.00 0.00 N ATOM 905 CA CYS A 62 -10.694 -3.785 -1.672 1.00 0.00 C ATOM 906 C CYS A 62 -10.648 -5.201 -2.240 1.00 0.00 C ATOM 907 O CYS A 62 -11.629 -5.941 -2.168 1.00 0.00 O ATOM 908 CB CYS A 62 -10.848 -2.772 -2.809 1.00 0.00 C ATOM 909 SG CYS A 62 -11.077 -1.054 -2.248 1.00 0.00 S ATOM 0 H CYS A 62 -8.700 -3.174 -1.454 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.553 -3.707 -1.006 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -9.965 -2.820 -3.446 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.701 -3.059 -3.424 1.00 0.00 H new ATOM 0 HG CYS A 62 -10.002 -0.650 -1.639 1.00 0.00 H new ATOM 914 N ARG A 63 -9.503 -5.569 -2.805 1.00 0.00 N ATOM 915 CA ARG A 63 -9.330 -6.895 -3.386 1.00 0.00 C ATOM 916 C ARG A 63 -9.355 -7.970 -2.304 1.00 0.00 C ATOM 917 O ARG A 63 -9.823 -9.085 -2.533 1.00 0.00 O ATOM 918 CB ARG A 63 -8.013 -6.967 -4.162 1.00 0.00 C ATOM 919 CG ARG A 63 -6.786 -7.075 -3.270 1.00 0.00 C ATOM 920 CD ARG A 63 -5.543 -7.420 -4.074 1.00 0.00 C ATOM 921 NE ARG A 63 -5.411 -8.859 -4.287 1.00 0.00 N ATOM 922 CZ ARG A 63 -4.382 -9.418 -4.913 1.00 0.00 C ATOM 923 NH1 ARG A 63 -3.399 -8.663 -5.385 1.00 0.00 N ATOM 924 NH2 ARG A 63 -4.333 -10.735 -5.068 1.00 0.00 N ATOM 0 H ARG A 63 -8.682 -4.968 -2.873 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.158 -7.075 -4.072 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.042 -7.827 -4.832 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.920 -6.079 -4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.632 -6.132 -2.746 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.953 -7.839 -2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.583 -6.913 -5.038 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.660 -7.048 -3.554 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.150 -9.468 -3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.432 -7.650 -5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.610 -9.095 -5.865 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.086 -11.319 -4.706 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.542 -11.163 -5.549 1.00 0.00 H new