USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 381 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 38 THR OG1 : rot 124:sc= 1.33 USER MOD Set 1.2: A 40 CYS SG : rot 110:sc= 1.39 USER MOD Set 1.3: A 42 HIS : no HD1:sc= -0.0641 K(o=2.4,f=-0.31) USER MOD Set 1.4: A 59 CYS SG : rot 147:sc= 0.052 USER MOD Set 1.5: A 62 CYS SG : rot -45:sc= -0.275 USER MOD Set 2.1: A 18 CYS SG : rot 165:sc=0.000795 USER MOD Set 2.2: A 21 CYS SG : rot -55:sc= 0.809 USER MOD Set 2.3: A 45 CYS SG : rot 173:sc= 0.878 USER MOD Set 2.4: A 48 CYS SG : rot 141:sc= -0.36 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.28) USER MOD Single : A 31 ASN : amide:sc= -0.63 K(o=-0.63,f=-3.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.026) USER MOD Single : A 52 SER OG : rot 130:sc= -0.0168 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc=-0.000771 K(o=-0.00077,f=-1.1) USER MOD Single : A 57 ASN : amide:sc= -1.37! C(o=-1.4!,f=-2.6!) USER MOD Single : A 58 THR OG1 : rot -160:sc= -0.34 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -109:sc= -0.423 (180deg=-1.6) USER MOD ----------------------------------------------------------------- ATOM 176 N VAL A 16 -4.502 -11.275 3.636 1.00 0.00 N ATOM 177 CA VAL A 16 -3.980 -9.959 3.986 1.00 0.00 C ATOM 178 C VAL A 16 -4.977 -9.182 4.839 1.00 0.00 C ATOM 179 O VAL A 16 -6.174 -9.469 4.830 1.00 0.00 O ATOM 180 CB VAL A 16 -3.644 -9.136 2.729 1.00 0.00 C ATOM 181 CG1 VAL A 16 -4.816 -8.247 2.344 1.00 0.00 C ATOM 182 CG2 VAL A 16 -2.388 -8.307 2.956 1.00 0.00 C ATOM 0 HA VAL A 16 -3.067 -10.122 4.558 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.455 -9.824 1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.560 -7.673 1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.690 -8.866 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.040 -7.564 3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.165 -7.731 2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.547 -7.627 3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.551 -8.968 3.180 1.00 0.00 H new ATOM 192 N SER A 17 -4.475 -8.195 5.574 1.00 0.00 N ATOM 193 CA SER A 17 -5.321 -7.377 6.435 1.00 0.00 C ATOM 194 C SER A 17 -4.648 -6.044 6.750 1.00 0.00 C ATOM 195 O SER A 17 -3.490 -6.004 7.168 1.00 0.00 O ATOM 196 CB SER A 17 -5.636 -8.122 7.733 1.00 0.00 C ATOM 197 OG SER A 17 -6.157 -7.241 8.713 1.00 0.00 O ATOM 0 H SER A 17 -3.487 -7.942 5.591 1.00 0.00 H new ATOM 0 HA SER A 17 -6.252 -7.178 5.904 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.355 -8.917 7.535 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.731 -8.598 8.111 1.00 0.00 H new ATOM 0 HG SER A 17 -6.352 -7.742 9.533 1.00 0.00 H new ATOM 203 N CYS A 18 -5.381 -4.955 6.547 1.00 0.00 N ATOM 204 CA CYS A 18 -4.858 -3.620 6.809 1.00 0.00 C ATOM 205 C CYS A 18 -4.800 -3.342 8.308 1.00 0.00 C ATOM 206 O CYS A 18 -5.815 -3.344 9.005 1.00 0.00 O ATOM 207 CB CYS A 18 -5.723 -2.565 6.117 1.00 0.00 C ATOM 208 SG CYS A 18 -5.266 -0.848 6.518 1.00 0.00 S ATOM 0 H CYS A 18 -6.341 -4.971 6.201 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.845 -3.570 6.409 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.654 -2.705 5.038 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.765 -2.726 6.394 1.00 0.00 H new ATOM 0 HG CYS A 18 -5.818 -0.041 5.661 1.00 0.00 H new ATOM 213 N PRO A 19 -3.584 -3.098 8.818 1.00 0.00 N ATOM 214 CA PRO A 19 -3.364 -2.814 10.240 1.00 0.00 C ATOM 215 C PRO A 19 -3.917 -1.453 10.651 1.00 0.00 C ATOM 216 O PRO A 19 -4.041 -1.157 11.839 1.00 0.00 O ATOM 217 CB PRO A 19 -1.839 -2.834 10.373 1.00 0.00 C ATOM 218 CG PRO A 19 -1.335 -2.498 9.012 1.00 0.00 C ATOM 219 CD PRO A 19 -2.330 -3.081 8.047 1.00 0.00 C ATOM 0 HA PRO A 19 -3.871 -3.533 10.883 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.497 -2.109 11.112 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.483 -3.812 10.697 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.251 -1.419 8.882 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.342 -2.917 8.849 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.420 -2.473 7.147 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.041 -4.082 7.728 1.00 0.00 H new ATOM 227 N ILE A 20 -4.248 -0.631 9.661 1.00 0.00 N ATOM 228 CA ILE A 20 -4.789 0.697 9.921 1.00 0.00 C ATOM 229 C ILE A 20 -6.259 0.623 10.321 1.00 0.00 C ATOM 230 O ILE A 20 -6.619 0.918 11.461 1.00 0.00 O ATOM 231 CB ILE A 20 -4.649 1.613 8.690 1.00 0.00 C ATOM 232 CG1 ILE A 20 -3.261 1.456 8.066 1.00 0.00 C ATOM 233 CG2 ILE A 20 -4.900 3.063 9.078 1.00 0.00 C ATOM 234 CD1 ILE A 20 -2.140 1.951 8.952 1.00 0.00 C ATOM 0 H ILE A 20 -4.151 -0.861 8.672 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.211 1.117 10.744 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.395 1.320 7.951 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.093 0.404 7.835 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.233 1.999 7.121 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.798 3.698 8.198 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.908 3.162 9.482 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.175 3.369 9.832 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.186 1.808 8.445 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.284 3.011 9.163 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.141 1.391 9.887 1.00 0.00 H new ATOM 246 N CYS A 21 -7.104 0.226 9.376 1.00 0.00 N ATOM 247 CA CYS A 21 -8.536 0.111 9.628 1.00 0.00 C ATOM 248 C CYS A 21 -8.868 -1.233 10.270 1.00 0.00 C ATOM 249 O CYS A 21 -9.856 -1.359 10.992 1.00 0.00 O ATOM 250 CB CYS A 21 -9.319 0.274 8.324 1.00 0.00 C ATOM 251 SG CYS A 21 -8.816 -0.877 7.005 1.00 0.00 S ATOM 0 H CYS A 21 -6.822 -0.022 8.428 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.824 0.904 10.318 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -10.380 0.132 8.530 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.198 1.296 7.965 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.540 -0.757 6.788 1.00 0.00 H new ATOM 256 N MET A 22 -8.036 -2.233 10.000 1.00 0.00 N ATOM 257 CA MET A 22 -8.241 -3.567 10.553 1.00 0.00 C ATOM 258 C MET A 22 -9.593 -4.131 10.126 1.00 0.00 C ATOM 259 O MET A 22 -10.395 -4.545 10.962 1.00 0.00 O ATOM 260 CB MET A 22 -8.150 -3.530 12.080 1.00 0.00 C ATOM 261 CG MET A 22 -6.805 -3.046 12.597 1.00 0.00 C ATOM 262 SD MET A 22 -6.514 -3.510 14.315 1.00 0.00 S ATOM 263 CE MET A 22 -7.658 -2.419 15.158 1.00 0.00 C ATOM 0 H MET A 22 -7.214 -2.145 9.402 1.00 0.00 H new ATOM 0 HA MET A 22 -7.457 -4.218 10.166 1.00 0.00 H new ATOM 0 HB2 MET A 22 -8.934 -2.879 12.467 1.00 0.00 H new ATOM 0 HB3 MET A 22 -8.343 -4.529 12.472 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.011 -3.458 11.974 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.753 -1.961 12.504 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.596 -2.587 16.233 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.402 -1.383 14.937 1.00 0.00 H new ATOM 0 HE3 MET A 22 -8.673 -2.623 14.817 1.00 0.00 H new ATOM 273 N ASP A 23 -9.838 -4.142 8.820 1.00 0.00 N ATOM 274 CA ASP A 23 -11.093 -4.655 8.283 1.00 0.00 C ATOM 275 C ASP A 23 -10.852 -5.899 7.433 1.00 0.00 C ATOM 276 O ASP A 23 -11.303 -6.992 7.772 1.00 0.00 O ATOM 277 CB ASP A 23 -11.793 -3.581 7.449 1.00 0.00 C ATOM 278 CG ASP A 23 -12.582 -2.608 8.302 1.00 0.00 C ATOM 279 OD1 ASP A 23 -11.981 -1.631 8.799 1.00 0.00 O ATOM 280 OD2 ASP A 23 -13.800 -2.822 8.474 1.00 0.00 O ATOM 0 H ASP A 23 -9.185 -3.802 8.114 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.734 -4.928 9.122 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.050 -3.032 6.871 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.463 -4.059 6.735 1.00 0.00 H new ATOM 285 N GLY A 24 -10.137 -5.724 6.326 1.00 0.00 N ATOM 286 CA GLY A 24 -9.849 -6.841 5.444 1.00 0.00 C ATOM 287 C GLY A 24 -10.026 -6.485 3.981 1.00 0.00 C ATOM 288 O GLY A 24 -10.889 -5.679 3.631 1.00 0.00 O ATOM 0 H GLY A 24 -9.752 -4.829 6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.826 -7.178 5.612 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.504 -7.675 5.694 1.00 0.00 H new ATOM 292 N TYR A 25 -9.207 -7.085 3.125 1.00 0.00 N ATOM 293 CA TYR A 25 -9.274 -6.824 1.692 1.00 0.00 C ATOM 294 C TYR A 25 -10.722 -6.783 1.213 1.00 0.00 C ATOM 295 O TYR A 25 -11.155 -5.813 0.591 1.00 0.00 O ATOM 296 CB TYR A 25 -8.500 -7.894 0.921 1.00 0.00 C ATOM 297 CG TYR A 25 -8.149 -7.486 -0.492 1.00 0.00 C ATOM 298 CD1 TYR A 25 -9.132 -7.072 -1.382 1.00 0.00 C ATOM 299 CD2 TYR A 25 -6.833 -7.515 -0.938 1.00 0.00 C ATOM 300 CE1 TYR A 25 -8.816 -6.699 -2.674 1.00 0.00 C ATOM 301 CE2 TYR A 25 -6.507 -7.143 -2.228 1.00 0.00 C ATOM 302 CZ TYR A 25 -7.502 -6.737 -3.092 1.00 0.00 C ATOM 303 OH TYR A 25 -7.183 -6.365 -4.378 1.00 0.00 O ATOM 0 H TYR A 25 -8.489 -7.756 3.398 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.821 -5.851 1.504 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.583 -8.127 1.461 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.093 -8.808 0.890 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.162 -7.041 -1.058 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.051 -7.834 -0.264 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.593 -6.380 -3.353 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.479 -7.170 -2.558 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.216 -6.448 -4.512 1.00 0.00 H new ATOM 313 N SER A 26 -11.466 -7.844 1.509 1.00 0.00 N ATOM 314 CA SER A 26 -12.865 -7.932 1.107 1.00 0.00 C ATOM 315 C SER A 26 -13.679 -6.794 1.715 1.00 0.00 C ATOM 316 O SER A 26 -14.465 -6.143 1.028 1.00 0.00 O ATOM 317 CB SER A 26 -13.455 -9.279 1.530 1.00 0.00 C ATOM 318 OG SER A 26 -14.504 -9.672 0.661 1.00 0.00 O ATOM 0 H SER A 26 -11.124 -8.654 2.025 1.00 0.00 H new ATOM 0 HA SER A 26 -12.911 -7.848 0.021 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.673 -10.039 1.528 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.831 -9.211 2.551 1.00 0.00 H new ATOM 0 HG SER A 26 -14.863 -10.536 0.952 1.00 0.00 H new ATOM 324 N GLU A 27 -13.482 -6.561 3.009 1.00 0.00 N ATOM 325 CA GLU A 27 -14.198 -5.502 3.711 1.00 0.00 C ATOM 326 C GLU A 27 -13.845 -4.133 3.137 1.00 0.00 C ATOM 327 O GLU A 27 -14.612 -3.178 3.263 1.00 0.00 O ATOM 328 CB GLU A 27 -13.873 -5.539 5.205 1.00 0.00 C ATOM 329 CG GLU A 27 -14.462 -6.740 5.926 1.00 0.00 C ATOM 330 CD GLU A 27 -15.959 -6.621 6.132 1.00 0.00 C ATOM 331 OE1 GLU A 27 -16.386 -5.717 6.879 1.00 0.00 O ATOM 332 OE2 GLU A 27 -16.705 -7.433 5.544 1.00 0.00 O ATOM 0 H GLU A 27 -12.834 -7.090 3.592 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.266 -5.670 3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.791 -5.544 5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.245 -4.627 5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.249 -7.643 5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.974 -6.853 6.894 1.00 0.00 H new ATOM 339 N ILE A 28 -12.678 -4.045 2.507 1.00 0.00 N ATOM 340 CA ILE A 28 -12.223 -2.795 1.913 1.00 0.00 C ATOM 341 C ILE A 28 -12.870 -2.565 0.552 1.00 0.00 C ATOM 342 O ILE A 28 -13.668 -1.644 0.379 1.00 0.00 O ATOM 343 CB ILE A 28 -10.691 -2.773 1.751 1.00 0.00 C ATOM 344 CG1 ILE A 28 -10.011 -2.881 3.118 1.00 0.00 C ATOM 345 CG2 ILE A 28 -10.252 -1.505 1.034 1.00 0.00 C ATOM 346 CD1 ILE A 28 -8.674 -3.588 3.073 1.00 0.00 C ATOM 0 H ILE A 28 -12.031 -4.825 2.395 1.00 0.00 H new ATOM 0 HA ILE A 28 -12.520 -1.997 2.593 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.392 -3.630 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.870 -1.880 3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.672 -3.413 3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -9.167 -1.504 0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.714 -1.466 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.560 -0.634 1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.250 -3.628 4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.811 -4.602 2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.997 -3.044 2.414 1.00 0.00 H new ATOM 358 N VAL A 29 -12.520 -3.410 -0.414 1.00 0.00 N ATOM 359 CA VAL A 29 -13.069 -3.301 -1.760 1.00 0.00 C ATOM 360 C VAL A 29 -14.578 -3.086 -1.723 1.00 0.00 C ATOM 361 O VAL A 29 -15.143 -2.438 -2.603 1.00 0.00 O ATOM 362 CB VAL A 29 -12.760 -4.558 -2.595 1.00 0.00 C ATOM 363 CG1 VAL A 29 -11.261 -4.702 -2.810 1.00 0.00 C ATOM 364 CG2 VAL A 29 -13.332 -5.797 -1.922 1.00 0.00 C ATOM 0 H VAL A 29 -11.859 -4.177 -0.289 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.594 -2.438 -2.227 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.233 -4.450 -3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.062 -5.596 -3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.883 -3.826 -3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.762 -4.788 -1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.105 -6.676 -2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.889 -5.911 -0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.413 -5.693 -1.826 1.00 0.00 H new ATOM 374 N GLN A 30 -15.223 -3.635 -0.699 1.00 0.00 N ATOM 375 CA GLN A 30 -16.667 -3.504 -0.548 1.00 0.00 C ATOM 376 C GLN A 30 -17.037 -2.113 -0.042 1.00 0.00 C ATOM 377 O GLN A 30 -17.787 -1.386 -0.692 1.00 0.00 O ATOM 378 CB GLN A 30 -17.199 -4.567 0.414 1.00 0.00 C ATOM 379 CG GLN A 30 -18.712 -4.712 0.385 1.00 0.00 C ATOM 380 CD GLN A 30 -19.242 -5.019 -1.002 1.00 0.00 C ATOM 381 OE1 GLN A 30 -18.865 -6.017 -1.617 1.00 0.00 O ATOM 382 NE2 GLN A 30 -20.122 -4.160 -1.503 1.00 0.00 N ATOM 0 H GLN A 30 -14.769 -4.174 0.038 1.00 0.00 H new ATOM 0 HA GLN A 30 -17.124 -3.649 -1.527 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.746 -5.527 0.168 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -16.886 -4.317 1.428 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -19.010 -5.507 1.068 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -19.169 -3.792 0.749 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -20.407 -3.346 -0.959 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -20.513 -4.314 -2.432 1.00 0.00 H new ATOM 391 N ASN A 31 -16.506 -1.751 1.121 1.00 0.00 N ATOM 392 CA ASN A 31 -16.781 -0.447 1.714 1.00 0.00 C ATOM 393 C ASN A 31 -16.659 0.661 0.672 1.00 0.00 C ATOM 394 O ASN A 31 -17.661 1.197 0.200 1.00 0.00 O ATOM 395 CB ASN A 31 -15.822 -0.179 2.875 1.00 0.00 C ATOM 396 CG ASN A 31 -15.872 1.262 3.346 1.00 0.00 C ATOM 397 OD1 ASN A 31 -15.245 2.142 2.756 1.00 0.00 O ATOM 398 ND2 ASN A 31 -16.621 1.509 4.414 1.00 0.00 N ATOM 0 H ASN A 31 -15.883 -2.342 1.672 1.00 0.00 H new ATOM 0 HA ASN A 31 -17.804 -0.455 2.091 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.069 -0.839 3.707 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.805 -0.422 2.566 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.694 2.459 4.777 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.124 0.748 4.871 1.00 0.00 H new ATOM 405 N GLY A 32 -15.423 0.999 0.318 1.00 0.00 N ATOM 406 CA GLY A 32 -15.192 2.041 -0.666 1.00 0.00 C ATOM 407 C GLY A 32 -13.764 2.549 -0.649 1.00 0.00 C ATOM 408 O GLY A 32 -13.523 3.748 -0.783 1.00 0.00 O ATOM 0 H GLY A 32 -14.578 0.570 0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -15.426 1.657 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -15.872 2.872 -0.477 1.00 0.00 H new ATOM 412 N ARG A 33 -12.815 1.634 -0.481 1.00 0.00 N ATOM 413 CA ARG A 33 -11.403 1.996 -0.444 1.00 0.00 C ATOM 414 C ARG A 33 -10.586 1.093 -1.363 1.00 0.00 C ATOM 415 O ARG A 33 -10.919 -0.077 -1.559 1.00 0.00 O ATOM 416 CB ARG A 33 -10.868 1.903 0.987 1.00 0.00 C ATOM 417 CG ARG A 33 -11.608 2.792 1.972 1.00 0.00 C ATOM 418 CD ARG A 33 -11.083 4.219 1.937 1.00 0.00 C ATOM 419 NE ARG A 33 -12.042 5.169 2.496 1.00 0.00 N ATOM 420 CZ ARG A 33 -12.222 5.350 3.799 1.00 0.00 C ATOM 421 NH1 ARG A 33 -11.513 4.650 4.674 1.00 0.00 N ATOM 422 NH2 ARG A 33 -13.114 6.233 4.231 1.00 0.00 N ATOM 0 H ARG A 33 -12.998 0.637 -0.368 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.308 3.024 -0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.934 0.868 1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.812 2.173 0.989 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.673 2.789 1.738 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.502 2.389 2.979 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.149 4.275 2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.856 4.497 0.908 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.604 5.723 1.850 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.827 3.970 4.347 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.654 4.792 5.674 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.662 6.773 3.562 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.251 6.371 5.232 1.00 0.00 H new ATOM 436 N LEU A 34 -9.515 1.643 -1.925 1.00 0.00 N ATOM 437 CA LEU A 34 -8.650 0.888 -2.825 1.00 0.00 C ATOM 438 C LEU A 34 -7.512 0.224 -2.056 1.00 0.00 C ATOM 439 O LEU A 34 -7.157 0.655 -0.959 1.00 0.00 O ATOM 440 CB LEU A 34 -8.081 1.807 -3.908 1.00 0.00 C ATOM 441 CG LEU A 34 -7.734 1.141 -5.239 1.00 0.00 C ATOM 442 CD1 LEU A 34 -8.987 0.934 -6.076 1.00 0.00 C ATOM 443 CD2 LEU A 34 -6.713 1.972 -6.002 1.00 0.00 C ATOM 0 H LEU A 34 -9.225 2.609 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.249 0.109 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.803 2.601 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.181 2.282 -3.517 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.296 0.165 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.720 0.459 -7.020 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.686 0.297 -5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.455 1.898 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.478 1.482 -6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.124 2.962 -6.199 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.804 2.068 -5.407 1.00 0.00 H new ATOM 455 N ILE A 35 -6.944 -0.825 -2.641 1.00 0.00 N ATOM 456 CA ILE A 35 -5.844 -1.546 -2.012 1.00 0.00 C ATOM 457 C ILE A 35 -4.498 -1.078 -2.555 1.00 0.00 C ATOM 458 O ILE A 35 -4.220 -1.201 -3.747 1.00 0.00 O ATOM 459 CB ILE A 35 -5.971 -3.066 -2.228 1.00 0.00 C ATOM 460 CG1 ILE A 35 -7.310 -3.570 -1.687 1.00 0.00 C ATOM 461 CG2 ILE A 35 -4.815 -3.794 -1.558 1.00 0.00 C ATOM 462 CD1 ILE A 35 -7.567 -3.178 -0.248 1.00 0.00 C ATOM 0 H ILE A 35 -7.227 -1.194 -3.549 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.897 -1.333 -0.944 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.933 -3.271 -3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.114 -3.180 -2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.340 -4.656 -1.770 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.918 -4.867 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.873 -3.452 -1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.825 -3.585 -0.488 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.534 -3.569 0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.783 -3.591 0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.569 -2.091 -0.162 1.00 0.00 H new ATOM 474 N VAL A 36 -3.664 -0.540 -1.670 1.00 0.00 N ATOM 475 CA VAL A 36 -2.345 -0.055 -2.059 1.00 0.00 C ATOM 476 C VAL A 36 -1.246 -0.768 -1.279 1.00 0.00 C ATOM 477 O VAL A 36 -1.513 -1.442 -0.285 1.00 0.00 O ATOM 478 CB VAL A 36 -2.217 1.463 -1.834 1.00 0.00 C ATOM 479 CG1 VAL A 36 -3.008 2.228 -2.883 1.00 0.00 C ATOM 480 CG2 VAL A 36 -2.677 1.835 -0.432 1.00 0.00 C ATOM 0 H VAL A 36 -3.879 -0.429 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.229 -0.268 -3.122 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.167 1.739 -1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.905 3.299 -2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.627 1.985 -3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.060 1.949 -2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.580 2.911 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.720 1.545 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.062 1.315 0.303 1.00 0.00 H new ATOM 490 N SER A 37 -0.008 -0.614 -1.738 1.00 0.00 N ATOM 491 CA SER A 37 1.133 -1.247 -1.086 1.00 0.00 C ATOM 492 C SER A 37 2.301 -0.272 -0.971 1.00 0.00 C ATOM 493 O SER A 37 2.366 0.727 -1.688 1.00 0.00 O ATOM 494 CB SER A 37 1.567 -2.491 -1.864 1.00 0.00 C ATOM 495 OG SER A 37 1.898 -2.165 -3.203 1.00 0.00 O ATOM 0 H SER A 37 0.231 -0.057 -2.558 1.00 0.00 H new ATOM 0 HA SER A 37 0.829 -1.543 -0.082 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.427 -2.948 -1.375 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.765 -3.229 -1.854 1.00 0.00 H new ATOM 0 HG SER A 37 2.174 -2.976 -3.679 1.00 0.00 H new ATOM 501 N THR A 38 3.224 -0.569 -0.061 1.00 0.00 N ATOM 502 CA THR A 38 4.390 0.279 0.151 1.00 0.00 C ATOM 503 C THR A 38 5.677 -0.455 -0.207 1.00 0.00 C ATOM 504 O THR A 38 5.653 -1.636 -0.550 1.00 0.00 O ATOM 505 CB THR A 38 4.476 0.761 1.612 1.00 0.00 C ATOM 506 OG1 THR A 38 4.437 -0.361 2.500 1.00 0.00 O ATOM 507 CG2 THR A 38 3.333 1.711 1.936 1.00 0.00 C ATOM 0 H THR A 38 3.186 -1.391 0.541 1.00 0.00 H new ATOM 0 HA THR A 38 4.275 1.143 -0.503 1.00 0.00 H new ATOM 0 HB THR A 38 5.418 1.294 1.742 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.229 -0.349 3.077 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.414 2.038 2.973 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.382 2.578 1.277 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.382 1.199 1.791 1.00 0.00 H new ATOM 515 N GLU A 39 6.799 0.253 -0.124 1.00 0.00 N ATOM 516 CA GLU A 39 8.096 -0.334 -0.440 1.00 0.00 C ATOM 517 C GLU A 39 8.638 -1.126 0.747 1.00 0.00 C ATOM 518 O GLU A 39 9.079 -2.266 0.597 1.00 0.00 O ATOM 519 CB GLU A 39 9.092 0.758 -0.836 1.00 0.00 C ATOM 520 CG GLU A 39 9.317 1.799 0.249 1.00 0.00 C ATOM 521 CD GLU A 39 10.440 1.421 1.195 1.00 0.00 C ATOM 522 OE1 GLU A 39 11.446 0.850 0.725 1.00 0.00 O ATOM 523 OE2 GLU A 39 10.312 1.696 2.407 1.00 0.00 O ATOM 0 H GLU A 39 6.836 1.232 0.159 1.00 0.00 H new ATOM 0 HA GLU A 39 7.963 -1.016 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.046 0.294 -1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.733 1.256 -1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.545 2.759 -0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.396 1.931 0.818 1.00 0.00 H new ATOM 530 N CYS A 40 8.604 -0.513 1.925 1.00 0.00 N ATOM 531 CA CYS A 40 9.092 -1.158 3.138 1.00 0.00 C ATOM 532 C CYS A 40 8.774 -2.651 3.126 1.00 0.00 C ATOM 533 O CYS A 40 9.598 -3.475 3.518 1.00 0.00 O ATOM 534 CB CYS A 40 8.472 -0.503 4.374 1.00 0.00 C ATOM 535 SG CYS A 40 6.702 -0.868 4.600 1.00 0.00 S ATOM 0 H CYS A 40 8.243 0.431 2.066 1.00 0.00 H new ATOM 0 HA CYS A 40 10.174 -1.035 3.175 1.00 0.00 H new ATOM 0 HB2 CYS A 40 9.016 -0.834 5.259 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.603 0.577 4.304 1.00 0.00 H new ATOM 0 HG CYS A 40 6.548 -1.651 5.626 1.00 0.00 H new ATOM 540 N GLY A 41 7.571 -2.990 2.672 1.00 0.00 N ATOM 541 CA GLY A 41 7.164 -4.382 2.617 1.00 0.00 C ATOM 542 C GLY A 41 5.853 -4.632 3.335 1.00 0.00 C ATOM 543 O GLY A 41 5.650 -5.696 3.921 1.00 0.00 O ATOM 0 H GLY A 41 6.871 -2.326 2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.068 -4.688 1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.942 -5.003 3.061 1.00 0.00 H new ATOM 547 N HIS A 42 4.960 -3.648 3.292 1.00 0.00 N ATOM 548 CA HIS A 42 3.661 -3.766 3.945 1.00 0.00 C ATOM 549 C HIS A 42 2.535 -3.389 2.987 1.00 0.00 C ATOM 550 O HIS A 42 2.782 -2.916 1.878 1.00 0.00 O ATOM 551 CB HIS A 42 3.608 -2.877 5.188 1.00 0.00 C ATOM 552 CG HIS A 42 4.346 -3.443 6.361 1.00 0.00 C ATOM 553 ND1 HIS A 42 5.347 -2.762 7.021 1.00 0.00 N ATOM 554 CD2 HIS A 42 4.224 -4.634 6.994 1.00 0.00 C ATOM 555 CE1 HIS A 42 5.809 -3.509 8.007 1.00 0.00 C ATOM 556 NE2 HIS A 42 5.144 -4.650 8.013 1.00 0.00 N ATOM 0 H HIS A 42 5.112 -2.761 2.812 1.00 0.00 H new ATOM 0 HA HIS A 42 3.526 -4.805 4.245 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.025 -1.900 4.944 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.566 -2.718 5.467 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.532 -5.424 6.744 1.00 0.00 H new ATOM 0 HE1 HIS A 42 6.597 -3.234 8.692 1.00 0.00 H new ATOM 0 HE2 HIS A 42 5.290 -5.418 8.668 1.00 0.00 H new ATOM 564 N VAL A 43 1.297 -3.602 3.422 1.00 0.00 N ATOM 565 CA VAL A 43 0.133 -3.284 2.604 1.00 0.00 C ATOM 566 C VAL A 43 -0.836 -2.378 3.355 1.00 0.00 C ATOM 567 O VAL A 43 -1.024 -2.518 4.563 1.00 0.00 O ATOM 568 CB VAL A 43 -0.610 -4.560 2.165 1.00 0.00 C ATOM 569 CG1 VAL A 43 -1.762 -4.214 1.235 1.00 0.00 C ATOM 570 CG2 VAL A 43 0.351 -5.533 1.498 1.00 0.00 C ATOM 0 H VAL A 43 1.075 -3.994 4.337 1.00 0.00 H new ATOM 0 HA VAL A 43 0.501 -2.764 1.719 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.023 -5.042 3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.275 -5.128 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.462 -3.558 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.376 -3.708 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.191 -6.429 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.795 -5.062 0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.138 -5.806 2.201 1.00 0.00 H new ATOM 580 N PHE A 44 -1.449 -1.448 2.630 1.00 0.00 N ATOM 581 CA PHE A 44 -2.399 -0.517 3.228 1.00 0.00 C ATOM 582 C PHE A 44 -3.466 -0.105 2.217 1.00 0.00 C ATOM 583 O PHE A 44 -3.350 -0.388 1.024 1.00 0.00 O ATOM 584 CB PHE A 44 -1.671 0.723 3.751 1.00 0.00 C ATOM 585 CG PHE A 44 -0.494 0.401 4.628 1.00 0.00 C ATOM 586 CD1 PHE A 44 0.767 0.227 4.081 1.00 0.00 C ATOM 587 CD2 PHE A 44 -0.650 0.271 5.999 1.00 0.00 C ATOM 588 CE1 PHE A 44 1.852 -0.069 4.885 1.00 0.00 C ATOM 589 CE2 PHE A 44 0.431 -0.024 6.807 1.00 0.00 C ATOM 590 CZ PHE A 44 1.683 -0.196 6.250 1.00 0.00 C ATOM 0 H PHE A 44 -1.305 -1.319 1.628 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.888 -1.021 4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.331 1.319 2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.375 1.338 4.312 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.904 0.324 3.014 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.627 0.402 6.440 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.830 -0.201 4.447 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.297 -0.120 7.874 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.528 -0.429 6.880 1.00 0.00 H new ATOM 600 N CYS A 45 -4.505 0.566 2.703 1.00 0.00 N ATOM 601 CA CYS A 45 -5.594 1.017 1.845 1.00 0.00 C ATOM 602 C CYS A 45 -5.269 2.371 1.220 1.00 0.00 C ATOM 603 O CYS A 45 -4.181 2.912 1.418 1.00 0.00 O ATOM 604 CB CYS A 45 -6.896 1.110 2.643 1.00 0.00 C ATOM 605 SG CYS A 45 -7.279 -0.381 3.617 1.00 0.00 S ATOM 0 H CYS A 45 -4.616 0.810 3.687 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.718 0.288 1.045 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.837 1.965 3.316 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.719 1.302 1.954 1.00 0.00 H new ATOM 0 HG CYS A 45 -8.313 -0.153 4.371 1.00 0.00 H new ATOM 610 N SER A 46 -6.220 2.912 0.467 1.00 0.00 N ATOM 611 CA SER A 46 -6.035 4.201 -0.190 1.00 0.00 C ATOM 612 C SER A 46 -6.002 5.332 0.834 1.00 0.00 C ATOM 613 O SER A 46 -5.003 6.040 0.959 1.00 0.00 O ATOM 614 CB SER A 46 -7.155 4.447 -1.202 1.00 0.00 C ATOM 615 OG SER A 46 -6.988 5.695 -1.854 1.00 0.00 O ATOM 0 H SER A 46 -7.127 2.478 0.296 1.00 0.00 H new ATOM 0 HA SER A 46 -5.080 4.180 -0.714 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.165 3.646 -1.941 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.119 4.424 -0.695 1.00 0.00 H new ATOM 0 HG SER A 46 -7.715 5.828 -2.497 1.00 0.00 H new ATOM 621 N GLN A 47 -7.101 5.494 1.563 1.00 0.00 N ATOM 622 CA GLN A 47 -7.199 6.539 2.575 1.00 0.00 C ATOM 623 C GLN A 47 -6.260 6.255 3.743 1.00 0.00 C ATOM 624 O GLN A 47 -5.405 7.075 4.080 1.00 0.00 O ATOM 625 CB GLN A 47 -8.638 6.658 3.079 1.00 0.00 C ATOM 626 CG GLN A 47 -9.588 7.276 2.067 1.00 0.00 C ATOM 627 CD GLN A 47 -9.395 8.773 1.923 1.00 0.00 C ATOM 628 OE1 GLN A 47 -10.060 9.563 2.594 1.00 0.00 O ATOM 629 NE2 GLN A 47 -8.481 9.170 1.045 1.00 0.00 N ATOM 0 H GLN A 47 -7.936 4.915 1.472 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.904 7.483 2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.003 5.667 3.349 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.647 7.260 3.988 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.440 6.800 1.098 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.616 7.073 2.368 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.953 8.480 0.511 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.307 10.165 0.905 1.00 0.00 H new ATOM 638 N CYS A 48 -6.425 5.089 4.358 1.00 0.00 N ATOM 639 CA CYS A 48 -5.594 4.696 5.490 1.00 0.00 C ATOM 640 C CYS A 48 -4.156 5.169 5.298 1.00 0.00 C ATOM 641 O CYS A 48 -3.665 6.018 6.043 1.00 0.00 O ATOM 642 CB CYS A 48 -5.624 3.177 5.668 1.00 0.00 C ATOM 643 SG CYS A 48 -7.298 2.481 5.846 1.00 0.00 S ATOM 0 H CYS A 48 -7.127 4.399 4.091 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.997 5.168 6.386 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.138 2.712 4.810 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.037 2.914 6.548 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.371 1.355 5.200 1.00 0.00 H new ATOM 648 N LEU A 49 -3.485 4.614 4.294 1.00 0.00 N ATOM 649 CA LEU A 49 -2.103 4.978 4.003 1.00 0.00 C ATOM 650 C LEU A 49 -1.953 6.491 3.880 1.00 0.00 C ATOM 651 O LEU A 49 -1.263 7.124 4.680 1.00 0.00 O ATOM 652 CB LEU A 49 -1.637 4.301 2.713 1.00 0.00 C ATOM 653 CG LEU A 49 -0.126 4.267 2.481 1.00 0.00 C ATOM 654 CD1 LEU A 49 0.576 3.573 3.636 1.00 0.00 C ATOM 655 CD2 LEU A 49 0.195 3.575 1.164 1.00 0.00 C ATOM 0 H LEU A 49 -3.876 3.910 3.668 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.481 4.636 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.008 3.276 2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.103 4.811 1.870 1.00 0.00 H new ATOM 0 HG LEU A 49 0.238 5.293 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.650 3.559 3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.373 4.111 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.209 2.550 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.275 3.560 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.182 2.553 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.277 4.116 0.344 1.00 0.00 H new ATOM 667 N ARG A 50 -2.606 7.065 2.874 1.00 0.00 N ATOM 668 CA ARG A 50 -2.546 8.504 2.647 1.00 0.00 C ATOM 669 C ARG A 50 -2.600 9.266 3.968 1.00 0.00 C ATOM 670 O ARG A 50 -2.015 10.341 4.100 1.00 0.00 O ATOM 671 CB ARG A 50 -3.698 8.947 1.743 1.00 0.00 C ATOM 672 CG ARG A 50 -3.426 8.736 0.263 1.00 0.00 C ATOM 673 CD ARG A 50 -4.537 9.318 -0.597 1.00 0.00 C ATOM 674 NE ARG A 50 -4.594 8.693 -1.915 1.00 0.00 N ATOM 675 CZ ARG A 50 -5.607 8.853 -2.760 1.00 0.00 C ATOM 676 NH1 ARG A 50 -6.640 9.613 -2.427 1.00 0.00 N ATOM 677 NH2 ARG A 50 -5.586 8.251 -3.943 1.00 0.00 N ATOM 0 H ARG A 50 -3.182 6.556 2.204 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.600 8.730 2.156 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.598 8.398 2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.902 10.003 1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.477 9.201 -0.003 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.327 7.670 0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.494 9.186 -0.092 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.383 10.391 -0.711 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.814 8.102 -2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.660 10.078 -1.519 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.416 9.733 -3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.792 7.666 -4.203 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.364 8.374 -4.592 1.00 0.00 H new ATOM 691 N ASP A 51 -3.305 8.701 4.942 1.00 0.00 N ATOM 692 CA ASP A 51 -3.435 9.326 6.253 1.00 0.00 C ATOM 693 C ASP A 51 -2.152 9.162 7.063 1.00 0.00 C ATOM 694 O ASP A 51 -1.728 10.080 7.765 1.00 0.00 O ATOM 695 CB ASP A 51 -4.615 8.722 7.015 1.00 0.00 C ATOM 696 CG ASP A 51 -5.254 9.710 7.971 1.00 0.00 C ATOM 697 OD1 ASP A 51 -4.571 10.677 8.369 1.00 0.00 O ATOM 698 OD2 ASP A 51 -6.437 9.517 8.320 1.00 0.00 O ATOM 0 H ASP A 51 -3.795 7.811 4.848 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.616 10.391 6.104 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.363 8.374 6.303 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.275 7.849 7.573 1.00 0.00 H new ATOM 703 N SER A 52 -1.541 7.986 6.961 1.00 0.00 N ATOM 704 CA SER A 52 -0.309 7.700 7.688 1.00 0.00 C ATOM 705 C SER A 52 0.845 8.544 7.156 1.00 0.00 C ATOM 706 O SER A 52 1.831 8.780 7.855 1.00 0.00 O ATOM 707 CB SER A 52 0.038 6.214 7.579 1.00 0.00 C ATOM 708 OG SER A 52 -0.911 5.417 8.267 1.00 0.00 O ATOM 0 H SER A 52 -1.878 7.216 6.383 1.00 0.00 H new ATOM 0 HA SER A 52 -0.467 7.953 8.736 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.071 5.921 6.530 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.032 6.038 7.991 1.00 0.00 H new ATOM 0 HG SER A 52 -1.222 4.697 7.679 1.00 0.00 H new ATOM 714 N LEU A 53 0.714 8.996 5.913 1.00 0.00 N ATOM 715 CA LEU A 53 1.746 9.815 5.285 1.00 0.00 C ATOM 716 C LEU A 53 1.797 11.203 5.914 1.00 0.00 C ATOM 717 O LEU A 53 2.871 11.714 6.231 1.00 0.00 O ATOM 718 CB LEU A 53 1.486 9.932 3.782 1.00 0.00 C ATOM 719 CG LEU A 53 2.059 8.812 2.913 1.00 0.00 C ATOM 720 CD1 LEU A 53 3.485 8.489 3.331 1.00 0.00 C ATOM 721 CD2 LEU A 53 1.183 7.571 2.995 1.00 0.00 C ATOM 0 H LEU A 53 -0.095 8.810 5.321 1.00 0.00 H new ATOM 0 HA LEU A 53 2.709 9.329 5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.409 9.974 3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.897 10.880 3.435 1.00 0.00 H new ATOM 0 HG LEU A 53 2.074 9.153 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.876 7.690 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.107 9.377 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.495 8.168 4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.607 6.785 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.135 7.227 4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.179 7.811 2.645 1.00 0.00 H new ATOM 733 N LYS A 54 0.628 11.809 6.094 1.00 0.00 N ATOM 734 CA LYS A 54 0.537 13.137 6.688 1.00 0.00 C ATOM 735 C LYS A 54 0.561 13.055 8.211 1.00 0.00 C ATOM 736 O LYS A 54 1.096 13.937 8.881 1.00 0.00 O ATOM 737 CB LYS A 54 -0.741 13.840 6.225 1.00 0.00 C ATOM 738 CG LYS A 54 -2.013 13.195 6.747 1.00 0.00 C ATOM 739 CD LYS A 54 -3.233 14.051 6.451 1.00 0.00 C ATOM 740 CE LYS A 54 -4.467 13.531 7.174 1.00 0.00 C ATOM 741 NZ LYS A 54 -5.691 14.292 6.799 1.00 0.00 N ATOM 0 H LYS A 54 -0.270 11.400 5.836 1.00 0.00 H new ATOM 0 HA LYS A 54 1.401 13.714 6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.711 14.880 6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.768 13.847 5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.137 12.213 6.292 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.929 13.039 7.823 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.039 15.080 6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.418 14.064 5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.609 12.476 6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.313 13.599 8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.510 13.908 7.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.566 15.294 7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.853 14.206 5.775 1.00 0.00 H new ATOM 755 N ASN A 55 -0.022 11.989 8.751 1.00 0.00 N ATOM 756 CA ASN A 55 -0.067 11.792 10.195 1.00 0.00 C ATOM 757 C ASN A 55 1.310 11.419 10.736 1.00 0.00 C ATOM 758 O ASN A 55 1.835 12.078 11.632 1.00 0.00 O ATOM 759 CB ASN A 55 -1.079 10.701 10.550 1.00 0.00 C ATOM 760 CG ASN A 55 -1.279 10.563 12.047 1.00 0.00 C ATOM 761 OD1 ASN A 55 -0.968 11.475 12.813 1.00 0.00 O ATOM 762 ND2 ASN A 55 -1.802 9.418 12.471 1.00 0.00 N ATOM 0 H ASN A 55 -0.469 11.249 8.210 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.377 12.730 10.655 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.035 10.928 10.078 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.741 9.749 10.142 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.961 9.268 13.467 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.045 8.689 11.800 1.00 0.00 H new ATOM 769 N ALA A 56 1.889 10.357 10.184 1.00 0.00 N ATOM 770 CA ALA A 56 3.205 9.898 10.609 1.00 0.00 C ATOM 771 C ALA A 56 4.255 10.172 9.537 1.00 0.00 C ATOM 772 O ALA A 56 3.922 10.495 8.398 1.00 0.00 O ATOM 773 CB ALA A 56 3.164 8.414 10.942 1.00 0.00 C ATOM 0 H ALA A 56 1.467 9.799 9.442 1.00 0.00 H new ATOM 0 HA ALA A 56 3.484 10.453 11.505 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.154 8.085 11.258 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.450 8.241 11.747 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.859 7.851 10.060 1.00 0.00 H new ATOM 779 N ASN A 57 5.524 10.043 9.911 1.00 0.00 N ATOM 780 CA ASN A 57 6.622 10.279 8.982 1.00 0.00 C ATOM 781 C ASN A 57 7.025 8.987 8.277 1.00 0.00 C ATOM 782 O ASN A 57 7.177 8.954 7.055 1.00 0.00 O ATOM 783 CB ASN A 57 7.826 10.867 9.721 1.00 0.00 C ATOM 784 CG ASN A 57 9.025 11.059 8.812 1.00 0.00 C ATOM 785 OD1 ASN A 57 8.989 10.702 7.634 1.00 0.00 O ATOM 786 ND2 ASN A 57 10.095 11.627 9.356 1.00 0.00 N ATOM 0 H ASN A 57 5.817 9.776 10.851 1.00 0.00 H new ATOM 0 HA ASN A 57 6.282 10.992 8.230 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.548 11.826 10.158 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.100 10.208 10.545 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.931 11.783 8.793 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.081 11.907 10.337 1.00 0.00 H new ATOM 793 N THR A 58 7.197 7.923 9.055 1.00 0.00 N ATOM 794 CA THR A 58 7.582 6.629 8.507 1.00 0.00 C ATOM 795 C THR A 58 6.431 5.633 8.586 1.00 0.00 C ATOM 796 O THR A 58 5.429 5.878 9.259 1.00 0.00 O ATOM 797 CB THR A 58 8.801 6.046 9.247 1.00 0.00 C ATOM 798 OG1 THR A 58 8.550 6.014 10.656 1.00 0.00 O ATOM 799 CG2 THR A 58 10.049 6.871 8.968 1.00 0.00 C ATOM 0 H THR A 58 7.076 7.932 10.068 1.00 0.00 H new ATOM 0 HA THR A 58 7.844 6.794 7.462 1.00 0.00 H new ATOM 0 HB THR A 58 8.967 5.031 8.885 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.401 5.953 11.139 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.897 6.440 9.501 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.255 6.869 7.898 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.891 7.895 9.305 1.00 0.00 H new ATOM 807 N CYS A 59 6.579 4.508 7.894 1.00 0.00 N ATOM 808 CA CYS A 59 5.552 3.474 7.886 1.00 0.00 C ATOM 809 C CYS A 59 4.901 3.343 9.260 1.00 0.00 C ATOM 810 O CYS A 59 5.571 3.318 10.292 1.00 0.00 O ATOM 811 CB CYS A 59 6.153 2.132 7.463 1.00 0.00 C ATOM 812 SG CYS A 59 4.929 0.795 7.277 1.00 0.00 S ATOM 0 H CYS A 59 7.401 4.290 7.331 1.00 0.00 H new ATOM 0 HA CYS A 59 4.786 3.764 7.167 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.678 2.263 6.517 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.896 1.830 8.201 1.00 0.00 H new ATOM 0 HG CYS A 59 5.309 -0.012 6.332 1.00 0.00 H new ATOM 817 N PRO A 60 3.562 3.256 9.274 1.00 0.00 N ATOM 818 CA PRO A 60 2.791 3.124 10.514 1.00 0.00 C ATOM 819 C PRO A 60 2.984 1.764 11.176 1.00 0.00 C ATOM 820 O PRO A 60 2.344 1.454 12.180 1.00 0.00 O ATOM 821 CB PRO A 60 1.342 3.292 10.049 1.00 0.00 C ATOM 822 CG PRO A 60 1.353 2.878 8.618 1.00 0.00 C ATOM 823 CD PRO A 60 2.699 3.278 8.081 1.00 0.00 C ATOM 0 HA PRO A 60 3.100 3.851 11.265 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.664 2.672 10.635 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.008 4.323 10.160 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.198 1.803 8.522 1.00 0.00 H new ATOM 0 HG3 PRO A 60 0.551 3.367 8.064 1.00 0.00 H new ATOM 0 HD2 PRO A 60 3.050 2.583 7.318 1.00 0.00 H new ATOM 0 HD3 PRO A 60 2.671 4.267 7.623 1.00 0.00 H new ATOM 831 N THR A 61 3.872 0.955 10.606 1.00 0.00 N ATOM 832 CA THR A 61 4.150 -0.372 11.141 1.00 0.00 C ATOM 833 C THR A 61 5.619 -0.517 11.518 1.00 0.00 C ATOM 834 O THR A 61 5.968 -0.539 12.699 1.00 0.00 O ATOM 835 CB THR A 61 3.781 -1.473 10.129 1.00 0.00 C ATOM 836 OG1 THR A 61 2.395 -1.375 9.781 1.00 0.00 O ATOM 837 CG2 THR A 61 4.068 -2.853 10.702 1.00 0.00 C ATOM 0 H THR A 61 4.411 1.196 9.774 1.00 0.00 H new ATOM 0 HA THR A 61 3.536 -0.488 12.034 1.00 0.00 H new ATOM 0 HB THR A 61 4.390 -1.333 9.236 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.169 -2.077 9.136 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.799 -3.614 9.969 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.129 -2.935 10.939 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.482 -3.000 11.609 1.00 0.00 H new ATOM 845 N CYS A 62 6.478 -0.615 10.509 1.00 0.00 N ATOM 846 CA CYS A 62 7.911 -0.757 10.735 1.00 0.00 C ATOM 847 C CYS A 62 8.550 0.594 11.043 1.00 0.00 C ATOM 848 O CYS A 62 9.596 0.665 11.689 1.00 0.00 O ATOM 849 CB CYS A 62 8.582 -1.383 9.510 1.00 0.00 C ATOM 850 SG CYS A 62 8.182 -0.553 7.938 1.00 0.00 S ATOM 0 H CYS A 62 6.206 -0.599 9.526 1.00 0.00 H new ATOM 0 HA CYS A 62 8.055 -1.412 11.595 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.662 -1.366 9.653 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.285 -2.430 9.442 1.00 0.00 H new ATOM 0 HG CYS A 62 6.905 -0.313 7.887 1.00 0.00 H new ATOM 855 N ARG A 63 7.914 1.664 10.577 1.00 0.00 N ATOM 856 CA ARG A 63 8.420 3.012 10.802 1.00 0.00 C ATOM 857 C ARG A 63 9.784 3.198 10.144 1.00 0.00 C ATOM 858 O ARG A 63 10.693 3.786 10.729 1.00 0.00 O ATOM 859 CB ARG A 63 8.522 3.298 12.301 1.00 0.00 C ATOM 860 CG ARG A 63 7.276 2.912 13.081 1.00 0.00 C ATOM 861 CD ARG A 63 7.169 3.691 14.382 1.00 0.00 C ATOM 862 NE ARG A 63 6.351 2.995 15.372 1.00 0.00 N ATOM 863 CZ ARG A 63 6.821 2.051 16.180 1.00 0.00 C ATOM 864 NH1 ARG A 63 8.096 1.693 16.116 1.00 0.00 N ATOM 865 NH2 ARG A 63 6.015 1.463 17.055 1.00 0.00 N ATOM 0 H ARG A 63 7.047 1.623 10.041 1.00 0.00 H new ATOM 0 HA ARG A 63 7.720 3.715 10.352 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.377 2.758 12.708 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.717 4.360 12.447 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.392 3.097 12.471 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.297 1.844 13.296 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.167 3.857 14.788 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.739 4.673 14.182 1.00 0.00 H new ATOM 0 HE ARG A 63 5.366 3.247 15.447 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.719 2.143 15.445 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.454 0.968 16.738 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.034 1.736 17.108 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.377 0.738 17.675 1.00 0.00 H new ATOM 879 N LYS A 64 9.919 2.692 8.922 1.00 0.00 N ATOM 880 CA LYS A 64 11.171 2.802 8.183 1.00 0.00 C ATOM 881 C LYS A 64 11.072 3.872 7.100 1.00 0.00 C ATOM 882 O LYS A 64 10.013 4.070 6.504 1.00 0.00 O ATOM 883 CB LYS A 64 11.535 1.456 7.553 1.00 0.00 C ATOM 884 CG LYS A 64 12.924 1.427 6.938 1.00 0.00 C ATOM 885 CD LYS A 64 13.140 0.174 6.106 1.00 0.00 C ATOM 886 CE LYS A 64 13.383 -1.043 6.985 1.00 0.00 C ATOM 887 NZ LYS A 64 13.545 -2.285 6.179 1.00 0.00 N ATOM 0 H LYS A 64 9.177 2.202 8.423 1.00 0.00 H new ATOM 0 HA LYS A 64 11.953 3.092 8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.468 0.678 8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.801 1.214 6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.064 2.309 6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.674 1.474 7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.268 0.000 5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.991 0.320 5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.276 -0.883 7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.549 -1.165 7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.709 -3.092 6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.683 -2.452 5.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.357 -2.179 5.537 1.00 0.00 H new ATOM 901 N LYS A 65 12.181 4.559 6.850 1.00 0.00 N ATOM 902 CA LYS A 65 12.221 5.607 5.837 1.00 0.00 C ATOM 903 C LYS A 65 11.516 5.158 4.562 1.00 0.00 C ATOM 904 O LYS A 65 12.048 4.351 3.799 1.00 0.00 O ATOM 905 CB LYS A 65 13.669 5.989 5.525 1.00 0.00 C ATOM 906 CG LYS A 65 14.293 6.908 6.560 1.00 0.00 C ATOM 907 CD LYS A 65 14.135 8.370 6.176 1.00 0.00 C ATOM 908 CE LYS A 65 12.700 8.841 6.355 1.00 0.00 C ATOM 909 NZ LYS A 65 11.911 8.706 5.099 1.00 0.00 N ATOM 0 H LYS A 65 13.065 4.409 7.336 1.00 0.00 H new ATOM 0 HA LYS A 65 11.699 6.479 6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.267 5.081 5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.705 6.476 4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.828 6.734 7.530 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.352 6.671 6.667 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.799 8.982 6.787 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.438 8.510 5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.224 8.263 7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.697 9.883 6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.721 9.650 4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.450 8.145 4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.010 8.229 5.305 1.00 0.00 H new ATOM 923 N ILE A 66 10.317 5.686 4.336 1.00 0.00 N ATOM 924 CA ILE A 66 9.542 5.340 3.151 1.00 0.00 C ATOM 925 C ILE A 66 9.208 6.582 2.331 1.00 0.00 C ATOM 926 O ILE A 66 8.919 6.492 1.139 1.00 0.00 O ATOM 927 CB ILE A 66 8.234 4.618 3.525 1.00 0.00 C ATOM 928 CG1 ILE A 66 7.494 5.391 4.619 1.00 0.00 C ATOM 929 CG2 ILE A 66 8.525 3.196 3.978 1.00 0.00 C ATOM 930 CD1 ILE A 66 6.017 5.075 4.689 1.00 0.00 C ATOM 0 H ILE A 66 9.862 6.354 4.958 1.00 0.00 H new ATOM 0 HA ILE A 66 10.160 4.669 2.554 1.00 0.00 H new ATOM 0 HB ILE A 66 7.596 4.574 2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.951 5.167 5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.621 6.460 4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.591 2.699 4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.014 2.650 3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.180 3.218 4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.557 5.659 5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.546 5.325 3.738 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.881 4.013 4.893 1.00 0.00 H new