USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 685 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 40 LYS NZ :NH3+ -145:sc= -0.0928 (180deg=-0.473) USER MOD Set 1.2: A 89 LYS NZ :NH3+ -134:sc= 0 (180deg=0) USER MOD Set 1.3: A 94 HIS : no HD1:sc= -0.321 X(o=-0.41,f=-0.21) USER MOD Set 2.1: A 91 THR OG1 : rot 168:sc= -0.916 USER MOD Set 2.2: A 93 GLN : amide:sc= 0.893 K(o=-0.023,f=-2.9!) USER MOD Set 3.1: A 24 SER OG : rot 160:sc= 0 USER MOD Set 3.2: A 27 LYS NZ :NH3+ -153:sc= -1.37 (180deg=-3.29!) USER MOD Single : A 11 SER OG : rot 35:sc= 0.53 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 160:sc= -0.992 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 1.11 K(o=1.1,f=-0.33) USER MOD Single : A 30 ASN : amide:sc= -0.0682 X(o=-0.068,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ 142:sc= 1.08 (180deg=0.286) USER MOD Single : A 56 SER OG : rot -11:sc= 0.613 USER MOD Single : A 60 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.4!) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 86:sc= 0.27 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -54:sc= 1.14 USER MOD Single : A 96 SER OG : rot -108:sc= -0.0653 USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= -0.0789 (180deg=-0.13) USER MOD Single : A 104 HIS : no HD1:sc= -0.0394 X(o=-0.039,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 11 -13.188 4.354 -8.625 1.00 0.00 N ATOM 183 CA SER A 11 -12.517 4.806 -7.404 1.00 0.00 C ATOM 184 C SER A 11 -13.507 4.950 -6.245 1.00 0.00 C ATOM 185 O SER A 11 -13.121 4.891 -5.078 1.00 0.00 O ATOM 186 CB SER A 11 -11.835 6.154 -7.641 1.00 0.00 C ATOM 187 OG SER A 11 -11.297 6.183 -8.957 1.00 0.00 O ATOM 0 HA SER A 11 -11.773 4.053 -7.143 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.551 6.965 -7.511 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.043 6.308 -6.908 1.00 0.00 H new ATOM 0 HG SER A 11 -11.885 5.685 -9.562 1.00 0.00 H new ATOM 193 N ASP A 12 -14.788 5.138 -6.575 1.00 0.00 N ATOM 194 CA ASP A 12 -15.821 5.287 -5.546 1.00 0.00 C ATOM 195 C ASP A 12 -15.818 4.088 -4.599 1.00 0.00 C ATOM 196 O ASP A 12 -15.915 4.239 -3.381 1.00 0.00 O ATOM 197 CB ASP A 12 -17.204 5.414 -6.188 1.00 0.00 C ATOM 198 CG ASP A 12 -17.452 4.224 -7.108 1.00 0.00 C ATOM 199 OD1 ASP A 12 -16.644 4.008 -7.996 1.00 0.00 O ATOM 200 OD2 ASP A 12 -18.447 3.545 -6.911 1.00 0.00 O ATOM 0 H ASP A 12 -15.132 5.190 -7.534 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.599 6.192 -4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.972 5.456 -5.416 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -17.270 6.344 -6.753 1.00 0.00 H new ATOM 205 N ALA A 13 -15.695 2.895 -5.175 1.00 0.00 N ATOM 206 CA ALA A 13 -15.668 1.672 -4.377 1.00 0.00 C ATOM 207 C ALA A 13 -14.343 1.549 -3.621 1.00 0.00 C ATOM 208 O ALA A 13 -14.260 0.870 -2.598 1.00 0.00 O ATOM 209 CB ALA A 13 -15.847 0.445 -5.272 1.00 0.00 C ATOM 0 H ALA A 13 -15.613 2.749 -6.181 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.488 1.723 -3.661 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.824 -0.457 -4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.804 0.509 -5.790 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.040 0.408 -6.004 1.00 0.00 H new ATOM 215 N CYS A 14 -13.306 2.213 -4.136 1.00 0.00 N ATOM 216 CA CYS A 14 -11.991 2.172 -3.504 1.00 0.00 C ATOM 217 C CYS A 14 -11.955 3.042 -2.245 1.00 0.00 C ATOM 218 O CYS A 14 -11.104 2.856 -1.376 1.00 0.00 O ATOM 219 CB CYS A 14 -10.923 2.670 -4.479 1.00 0.00 C ATOM 220 SG CYS A 14 -9.304 2.028 -3.985 1.00 0.00 S ATOM 0 H CYS A 14 -13.353 2.781 -4.982 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.790 1.137 -3.226 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.161 2.345 -5.492 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.906 3.760 -4.490 1.00 0.00 H new ATOM 225 N LYS A 15 -12.880 3.999 -2.156 1.00 0.00 N ATOM 226 CA LYS A 15 -12.929 4.889 -0.998 1.00 0.00 C ATOM 227 C LYS A 15 -13.535 4.184 0.216 1.00 0.00 C ATOM 228 O LYS A 15 -13.314 4.595 1.356 1.00 0.00 O ATOM 229 CB LYS A 15 -13.761 6.132 -1.317 1.00 0.00 C ATOM 230 CG LYS A 15 -13.531 7.193 -0.239 1.00 0.00 C ATOM 231 CD LYS A 15 -14.511 8.349 -0.442 1.00 0.00 C ATOM 232 CE LYS A 15 -14.903 8.933 0.916 1.00 0.00 C ATOM 233 NZ LYS A 15 -15.895 10.035 0.769 1.00 0.00 N ATOM 0 H LYS A 15 -13.595 4.176 -2.861 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.905 5.180 -0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.484 6.526 -2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.818 5.872 -1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.667 6.757 0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.505 7.559 -0.287 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.056 9.120 -1.063 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.399 7.998 -0.968 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.321 8.147 1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.014 9.307 1.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.140 10.409 1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.486 10.795 0.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.753 9.671 0.307 1.00 0.00 H new ATOM 247 N ALA A 16 -14.306 3.122 -0.030 1.00 0.00 N ATOM 248 CA ALA A 16 -14.936 2.380 1.062 1.00 0.00 C ATOM 249 C ALA A 16 -13.882 1.853 2.038 1.00 0.00 C ATOM 250 O ALA A 16 -13.686 2.411 3.118 1.00 0.00 O ATOM 251 CB ALA A 16 -15.752 1.207 0.511 1.00 0.00 C ATOM 0 H ALA A 16 -14.507 2.761 -0.963 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.600 3.063 1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.214 0.666 1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.528 1.585 -0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.096 0.535 -0.042 1.00 0.00 H new ATOM 257 N GLU A 17 -13.204 0.774 1.649 1.00 0.00 N ATOM 258 CA GLU A 17 -12.172 0.187 2.501 1.00 0.00 C ATOM 259 C GLU A 17 -10.854 0.933 2.327 1.00 0.00 C ATOM 260 O GLU A 17 -10.266 1.421 3.293 1.00 0.00 O ATOM 261 CB GLU A 17 -11.958 -1.288 2.152 1.00 0.00 C ATOM 262 CG GLU A 17 -11.014 -1.926 3.175 1.00 0.00 C ATOM 263 CD GLU A 17 -11.122 -3.445 3.090 1.00 0.00 C ATOM 264 OE1 GLU A 17 -12.200 -3.958 3.342 1.00 0.00 O ATOM 265 OE2 GLU A 17 -10.125 -4.072 2.771 1.00 0.00 O ATOM 0 H GLU A 17 -13.348 0.294 0.761 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.505 0.268 3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.913 -1.813 2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.539 -1.378 1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.988 -1.613 2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.268 -1.589 4.180 1.00 0.00 H new ATOM 272 N SER A 18 -10.395 1.013 1.082 1.00 0.00 N ATOM 273 CA SER A 18 -9.141 1.699 0.784 1.00 0.00 C ATOM 274 C SER A 18 -9.333 3.214 0.845 1.00 0.00 C ATOM 275 O SER A 18 -9.211 3.917 -0.158 1.00 0.00 O ATOM 276 CB SER A 18 -8.631 1.302 -0.604 1.00 0.00 C ATOM 277 OG SER A 18 -9.153 0.026 -0.956 1.00 0.00 O ATOM 0 H SER A 18 -10.867 0.616 0.270 1.00 0.00 H new ATOM 0 HA SER A 18 -8.406 1.403 1.532 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.934 2.046 -1.341 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.541 1.274 -0.608 1.00 0.00 H new ATOM 0 HG SER A 18 -9.106 -0.090 -1.928 1.00 0.00 H new ATOM 283 N GLY A 19 -9.634 3.707 2.043 1.00 0.00 N ATOM 284 CA GLY A 19 -9.839 5.137 2.236 1.00 0.00 C ATOM 285 C GLY A 19 -8.570 5.797 2.766 1.00 0.00 C ATOM 286 O GLY A 19 -8.623 6.676 3.625 1.00 0.00 O ATOM 0 H GLY A 19 -9.740 3.143 2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.128 5.599 1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.659 5.301 2.935 1.00 0.00 H new ATOM 290 N VAL A 20 -7.426 5.362 2.240 1.00 0.00 N ATOM 291 CA VAL A 20 -6.138 5.912 2.662 1.00 0.00 C ATOM 292 C VAL A 20 -6.108 7.431 2.457 1.00 0.00 C ATOM 293 O VAL A 20 -6.591 7.944 1.448 1.00 0.00 O ATOM 294 CB VAL A 20 -4.996 5.247 1.874 1.00 0.00 C ATOM 295 CG1 VAL A 20 -5.102 5.597 0.384 1.00 0.00 C ATOM 296 CG2 VAL A 20 -3.648 5.727 2.420 1.00 0.00 C ATOM 0 H VAL A 20 -7.364 4.636 1.526 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.003 5.705 3.724 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.072 4.166 1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.288 5.120 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.056 5.243 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.038 6.678 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.840 5.255 1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.578 6.810 2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.566 5.458 3.473 1.00 0.00 H new ATOM 306 N SER A 21 -5.542 8.139 3.430 1.00 0.00 N ATOM 307 CA SER A 21 -5.462 9.596 3.349 1.00 0.00 C ATOM 308 C SER A 21 -4.087 10.036 2.854 1.00 0.00 C ATOM 309 O SER A 21 -3.592 11.101 3.223 1.00 0.00 O ATOM 310 CB SER A 21 -5.720 10.222 4.720 1.00 0.00 C ATOM 311 OG SER A 21 -4.669 9.860 5.606 1.00 0.00 O ATOM 0 H SER A 21 -5.136 7.735 4.274 1.00 0.00 H new ATOM 0 HA SER A 21 -6.223 9.932 2.644 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.780 11.307 4.632 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.677 9.881 5.114 1.00 0.00 H new ATOM 0 HG SER A 21 -4.830 10.261 6.486 1.00 0.00 H new ATOM 317 N GLU A 22 -3.475 9.206 2.012 1.00 0.00 N ATOM 318 CA GLU A 22 -2.155 9.518 1.467 1.00 0.00 C ATOM 319 C GLU A 22 -1.134 9.695 2.588 1.00 0.00 C ATOM 320 O GLU A 22 -0.172 10.451 2.457 1.00 0.00 O ATOM 321 CB GLU A 22 -2.209 10.802 0.636 1.00 0.00 C ATOM 322 CG GLU A 22 -2.550 10.457 -0.815 1.00 0.00 C ATOM 323 CD GLU A 22 -4.058 10.560 -1.022 1.00 0.00 C ATOM 324 OE1 GLU A 22 -4.753 9.635 -0.636 1.00 0.00 O ATOM 325 OE2 GLU A 22 -4.494 11.563 -1.564 1.00 0.00 O ATOM 0 H GLU A 22 -3.867 8.320 1.694 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.852 8.685 0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.957 11.481 1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.250 11.318 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.032 11.136 -1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.208 9.449 -1.050 1.00 0.00 H new ATOM 332 N GLU A 23 -1.353 8.985 3.692 1.00 0.00 N ATOM 333 CA GLU A 23 -0.444 9.068 4.832 1.00 0.00 C ATOM 334 C GLU A 23 0.751 8.146 4.617 1.00 0.00 C ATOM 335 O GLU A 23 1.904 8.557 4.751 1.00 0.00 O ATOM 336 CB GLU A 23 -1.160 8.665 6.121 1.00 0.00 C ATOM 337 CG GLU A 23 -0.436 9.276 7.322 1.00 0.00 C ATOM 338 CD GLU A 23 -0.792 8.496 8.582 1.00 0.00 C ATOM 339 OE1 GLU A 23 -0.824 7.278 8.512 1.00 0.00 O ATOM 340 OE2 GLU A 23 -1.028 9.127 9.599 1.00 0.00 O ATOM 0 H GLU A 23 -2.143 8.353 3.821 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.102 10.099 4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.195 9.005 6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.184 7.579 6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.642 9.254 7.160 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.719 10.322 7.437 1.00 0.00 H new ATOM 347 N SER A 24 0.460 6.894 4.279 1.00 0.00 N ATOM 348 CA SER A 24 1.516 5.914 4.041 1.00 0.00 C ATOM 349 C SER A 24 2.254 6.233 2.745 1.00 0.00 C ATOM 350 O SER A 24 3.452 5.978 2.617 1.00 0.00 O ATOM 351 CB SER A 24 0.929 4.507 3.947 1.00 0.00 C ATOM 352 OG SER A 24 0.194 4.224 5.131 1.00 0.00 O ATOM 0 H SER A 24 -0.488 6.536 4.164 1.00 0.00 H new ATOM 0 HA SER A 24 2.213 5.960 4.878 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.280 4.429 3.075 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.727 3.776 3.817 1.00 0.00 H new ATOM 0 HG SER A 24 -0.433 3.491 4.959 1.00 0.00 H new ATOM 358 N LEU A 25 1.525 6.795 1.783 1.00 0.00 N ATOM 359 CA LEU A 25 2.115 7.150 0.495 1.00 0.00 C ATOM 360 C LEU A 25 3.249 8.154 0.682 1.00 0.00 C ATOM 361 O LEU A 25 4.305 8.043 0.060 1.00 0.00 O ATOM 362 CB LEU A 25 1.051 7.763 -0.417 1.00 0.00 C ATOM 363 CG LEU A 25 0.062 6.776 -1.052 1.00 0.00 C ATOM 364 CD1 LEU A 25 0.767 5.978 -2.150 1.00 0.00 C ATOM 365 CD2 LEU A 25 -0.477 5.812 0.010 1.00 0.00 C ATOM 0 H LEU A 25 0.532 7.013 1.870 1.00 0.00 H new ATOM 0 HA LEU A 25 2.512 6.242 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.485 8.495 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.555 8.307 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.769 7.336 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.063 5.278 -2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.138 6.661 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.603 5.426 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.178 5.116 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.351 5.255 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.988 6.378 0.789 1.00 0.00 H new ATOM 377 N ASN A 26 3.016 9.137 1.549 1.00 0.00 N ATOM 378 CA ASN A 26 4.025 10.159 1.815 1.00 0.00 C ATOM 379 C ASN A 26 5.281 9.525 2.405 1.00 0.00 C ATOM 380 O ASN A 26 6.398 9.979 2.161 1.00 0.00 O ATOM 381 CB ASN A 26 3.485 11.204 2.794 1.00 0.00 C ATOM 382 CG ASN A 26 2.826 12.338 2.016 1.00 0.00 C ATOM 383 OD1 ASN A 26 3.507 13.225 1.503 1.00 0.00 O ATOM 384 ND2 ASN A 26 1.526 12.362 1.898 1.00 0.00 N ATOM 0 H ASN A 26 2.148 9.247 2.074 1.00 0.00 H new ATOM 0 HA ASN A 26 4.272 10.643 0.870 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.763 10.746 3.470 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.296 11.594 3.410 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.075 13.116 1.380 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.962 11.627 2.323 1.00 0.00 H new ATOM 391 N LYS A 27 5.081 8.466 3.184 1.00 0.00 N ATOM 392 CA LYS A 27 6.203 7.767 3.807 1.00 0.00 C ATOM 393 C LYS A 27 7.028 7.030 2.753 1.00 0.00 C ATOM 394 O LYS A 27 8.230 6.824 2.920 1.00 0.00 O ATOM 395 CB LYS A 27 5.698 6.761 4.842 1.00 0.00 C ATOM 396 CG LYS A 27 5.519 7.465 6.190 1.00 0.00 C ATOM 397 CD LYS A 27 5.299 6.424 7.293 1.00 0.00 C ATOM 398 CE LYS A 27 3.804 6.306 7.604 1.00 0.00 C ATOM 399 NZ LYS A 27 3.188 5.152 6.890 1.00 0.00 N ATOM 0 H LYS A 27 4.163 8.075 3.398 1.00 0.00 H new ATOM 0 HA LYS A 27 6.830 8.510 4.300 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.751 6.331 4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.405 5.938 4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.399 8.067 6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.669 8.146 6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.691 5.457 6.977 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.845 6.712 8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.663 6.188 8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.297 7.227 7.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.177 5.341 6.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.662 5.017 5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.294 4.292 7.464 1.00 0.00 H new ATOM 413 N VAL A 28 6.370 6.635 1.663 1.00 0.00 N ATOM 414 CA VAL A 28 7.054 5.922 0.586 1.00 0.00 C ATOM 415 C VAL A 28 8.159 6.793 -0.009 1.00 0.00 C ATOM 416 O VAL A 28 9.177 6.287 -0.483 1.00 0.00 O ATOM 417 CB VAL A 28 6.062 5.536 -0.518 1.00 0.00 C ATOM 418 CG1 VAL A 28 6.769 4.684 -1.578 1.00 0.00 C ATOM 419 CG2 VAL A 28 4.909 4.731 0.089 1.00 0.00 C ATOM 0 H VAL A 28 5.375 6.795 1.504 1.00 0.00 H new ATOM 0 HA VAL A 28 7.494 5.017 1.004 1.00 0.00 H new ATOM 0 HB VAL A 28 5.674 6.443 -0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.059 4.413 -2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.590 5.253 -2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.162 3.779 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.204 4.457 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.302 3.828 0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.399 5.335 0.840 1.00 0.00 H new ATOM 429 N ARG A 29 7.950 8.109 0.020 1.00 0.00 N ATOM 430 CA ARG A 29 8.937 9.045 -0.520 1.00 0.00 C ATOM 431 C ARG A 29 10.292 8.853 0.157 1.00 0.00 C ATOM 432 O ARG A 29 11.343 9.061 -0.452 1.00 0.00 O ATOM 433 CB ARG A 29 8.476 10.490 -0.310 1.00 0.00 C ATOM 434 CG ARG A 29 7.146 10.714 -1.035 1.00 0.00 C ATOM 435 CD ARG A 29 7.388 10.788 -2.544 1.00 0.00 C ATOM 436 NE ARG A 29 6.290 10.161 -3.274 1.00 0.00 N ATOM 437 CZ ARG A 29 5.443 10.889 -3.998 1.00 0.00 C ATOM 438 NH1 ARG A 29 5.872 11.533 -5.049 1.00 0.00 N ATOM 439 NH2 ARG A 29 4.186 10.960 -3.658 1.00 0.00 N ATOM 0 H ARG A 29 7.115 8.548 0.407 1.00 0.00 H new ATOM 0 HA ARG A 29 9.036 8.845 -1.587 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.361 10.695 0.754 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.229 11.181 -0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.455 9.902 -0.807 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.681 11.636 -0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.488 11.829 -2.851 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.326 10.292 -2.792 1.00 0.00 H new ATOM 0 HE ARG A 29 6.170 9.149 -3.228 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.855 11.478 -5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.224 12.091 -5.605 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.851 10.457 -2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.538 11.518 -4.214 1.00 0.00 H new ATOM 453 N ASN A 30 10.255 8.449 1.424 1.00 0.00 N ATOM 454 CA ASN A 30 11.486 8.225 2.179 1.00 0.00 C ATOM 455 C ASN A 30 11.753 6.730 2.321 1.00 0.00 C ATOM 456 O ASN A 30 10.835 5.912 2.257 1.00 0.00 O ATOM 457 CB ASN A 30 11.381 8.848 3.572 1.00 0.00 C ATOM 458 CG ASN A 30 11.551 10.360 3.468 1.00 0.00 C ATOM 459 OD1 ASN A 30 10.647 11.118 3.820 1.00 0.00 O ATOM 460 ND2 ASN A 30 12.666 10.848 3.000 1.00 0.00 N ATOM 0 H ASN A 30 9.397 8.271 1.946 1.00 0.00 H new ATOM 0 HA ASN A 30 12.307 8.693 1.636 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.415 8.610 4.016 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.145 8.430 4.227 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.789 11.858 2.926 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.415 10.220 2.708 1.00 0.00 H new ATOM 467 N ARG A 31 13.021 6.383 2.515 1.00 0.00 N ATOM 468 CA ARG A 31 13.401 4.981 2.667 1.00 0.00 C ATOM 469 C ARG A 31 13.016 4.470 4.055 1.00 0.00 C ATOM 470 O ARG A 31 13.864 4.294 4.930 1.00 0.00 O ATOM 471 CB ARG A 31 14.909 4.810 2.465 1.00 0.00 C ATOM 472 CG ARG A 31 15.265 5.114 1.007 1.00 0.00 C ATOM 473 CD ARG A 31 16.785 5.148 0.850 1.00 0.00 C ATOM 474 NE ARG A 31 17.309 6.467 1.195 1.00 0.00 N ATOM 475 CZ ARG A 31 17.402 7.428 0.280 1.00 0.00 C ATOM 476 NH1 ARG A 31 18.228 7.298 -0.722 1.00 0.00 N ATOM 477 NH2 ARG A 31 16.667 8.501 0.384 1.00 0.00 N ATOM 0 H ARG A 31 13.796 7.044 2.570 1.00 0.00 H new ATOM 0 HA ARG A 31 12.869 4.403 1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.454 5.479 3.131 1.00 0.00 H new ATOM 0 HB3 ARG A 31 15.208 3.793 2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.838 4.355 0.351 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.836 6.071 0.709 1.00 0.00 H new ATOM 0 HD2 ARG A 31 17.239 4.392 1.490 1.00 0.00 H new ATOM 0 HD3 ARG A 31 17.055 4.901 -0.177 1.00 0.00 H new ATOM 0 HE ARG A 31 17.608 6.654 2.152 1.00 0.00 H new ATOM 0 HH11 ARG A 31 18.803 6.459 -0.804 1.00 0.00 H new ATOM 0 HH12 ARG A 31 18.299 8.035 -1.423 1.00 0.00 H new ATOM 0 HH21 ARG A 31 16.021 8.603 1.167 1.00 0.00 H new ATOM 0 HH22 ARG A 31 16.738 9.238 -0.318 1.00 0.00 H new ATOM 491 N GLU A 32 11.720 4.239 4.243 1.00 0.00 N ATOM 492 CA GLU A 32 11.220 3.751 5.526 1.00 0.00 C ATOM 493 C GLU A 32 10.752 2.303 5.406 1.00 0.00 C ATOM 494 O GLU A 32 10.809 1.536 6.368 1.00 0.00 O ATOM 495 CB GLU A 32 10.052 4.613 6.009 1.00 0.00 C ATOM 496 CG GLU A 32 10.587 5.933 6.568 1.00 0.00 C ATOM 497 CD GLU A 32 9.694 6.401 7.712 1.00 0.00 C ATOM 498 OE1 GLU A 32 9.302 5.566 8.511 1.00 0.00 O ATOM 499 OE2 GLU A 32 9.414 7.587 7.771 1.00 0.00 O ATOM 0 H GLU A 32 11.003 4.380 3.532 1.00 0.00 H new ATOM 0 HA GLU A 32 12.037 3.808 6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.365 4.807 5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.488 4.083 6.777 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.610 5.802 6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.615 6.688 5.782 1.00 0.00 H new ATOM 506 N GLU A 33 10.284 1.936 4.213 1.00 0.00 N ATOM 507 CA GLU A 33 9.804 0.576 3.974 1.00 0.00 C ATOM 508 C GLU A 33 8.591 0.277 4.851 1.00 0.00 C ATOM 509 O GLU A 33 8.711 -0.320 5.921 1.00 0.00 O ATOM 510 CB GLU A 33 10.902 -0.450 4.272 1.00 0.00 C ATOM 511 CG GLU A 33 10.468 -1.825 3.761 1.00 0.00 C ATOM 512 CD GLU A 33 11.419 -2.890 4.298 1.00 0.00 C ATOM 513 OE1 GLU A 33 11.328 -3.197 5.475 1.00 0.00 O ATOM 514 OE2 GLU A 33 12.223 -3.383 3.524 1.00 0.00 O ATOM 0 H GLU A 33 10.227 2.555 3.404 1.00 0.00 H new ATOM 0 HA GLU A 33 9.522 0.503 2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.834 -0.150 3.793 1.00 0.00 H new ATOM 0 HB3 GLU A 33 11.093 -0.493 5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.448 -2.038 4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.470 -1.837 2.671 1.00 0.00 H new ATOM 521 N VAL A 34 7.421 0.702 4.383 1.00 0.00 N ATOM 522 CA VAL A 34 6.185 0.479 5.126 1.00 0.00 C ATOM 523 C VAL A 34 5.200 -0.330 4.277 1.00 0.00 C ATOM 524 O VAL A 34 5.319 -0.391 3.054 1.00 0.00 O ATOM 525 CB VAL A 34 5.555 1.826 5.525 1.00 0.00 C ATOM 526 CG1 VAL A 34 5.203 2.633 4.273 1.00 0.00 C ATOM 527 CG2 VAL A 34 4.286 1.584 6.351 1.00 0.00 C ATOM 0 H VAL A 34 7.303 1.199 3.500 1.00 0.00 H new ATOM 0 HA VAL A 34 6.416 -0.083 6.031 1.00 0.00 H new ATOM 0 HB VAL A 34 6.274 2.387 6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.758 3.584 4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.107 2.819 3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.492 2.072 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.845 2.541 6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.570 1.014 5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.539 1.025 7.252 1.00 0.00 H new ATOM 537 N ASP A 35 4.230 -0.951 4.943 1.00 0.00 N ATOM 538 CA ASP A 35 3.233 -1.753 4.241 1.00 0.00 C ATOM 539 C ASP A 35 1.898 -1.718 4.978 1.00 0.00 C ATOM 540 O ASP A 35 1.712 -2.395 5.989 1.00 0.00 O ATOM 541 CB ASP A 35 3.700 -3.206 4.125 1.00 0.00 C ATOM 542 CG ASP A 35 4.058 -3.737 5.508 1.00 0.00 C ATOM 543 OD1 ASP A 35 5.118 -3.385 6.000 1.00 0.00 O ATOM 544 OD2 ASP A 35 3.269 -4.491 6.054 1.00 0.00 O ATOM 0 H ASP A 35 4.114 -0.915 5.956 1.00 0.00 H new ATOM 0 HA ASP A 35 3.106 -1.330 3.244 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.914 -3.817 3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.565 -3.270 3.464 1.00 0.00 H new ATOM 549 N ASP A 36 0.971 -0.922 4.456 1.00 0.00 N ATOM 550 CA ASP A 36 -0.352 -0.801 5.065 1.00 0.00 C ATOM 551 C ASP A 36 -1.408 -1.444 4.164 1.00 0.00 C ATOM 552 O ASP A 36 -1.148 -1.717 2.993 1.00 0.00 O ATOM 553 CB ASP A 36 -0.706 0.673 5.284 1.00 0.00 C ATOM 554 CG ASP A 36 -0.302 1.093 6.693 1.00 0.00 C ATOM 555 OD1 ASP A 36 0.795 0.749 7.101 1.00 0.00 O ATOM 556 OD2 ASP A 36 -1.097 1.752 7.345 1.00 0.00 O ATOM 0 H ASP A 36 1.108 -0.355 3.620 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.334 -1.313 6.027 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.194 1.293 4.548 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.776 0.826 5.141 1.00 0.00 H new ATOM 561 N PRO A 37 -2.611 -1.698 4.696 1.00 0.00 N ATOM 562 CA PRO A 37 -3.695 -2.316 3.919 1.00 0.00 C ATOM 563 C PRO A 37 -4.271 -1.375 2.860 1.00 0.00 C ATOM 564 O PRO A 37 -4.268 -1.686 1.670 1.00 0.00 O ATOM 565 CB PRO A 37 -4.746 -2.674 4.967 1.00 0.00 C ATOM 566 CG PRO A 37 -4.497 -1.749 6.108 1.00 0.00 C ATOM 567 CD PRO A 37 -3.032 -1.413 6.082 1.00 0.00 C ATOM 0 HA PRO A 37 -3.342 -3.180 3.356 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.754 -2.548 4.572 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.653 -3.715 5.277 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.102 -0.847 6.014 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.769 -2.219 7.053 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.860 -0.369 6.342 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.474 -2.016 6.798 1.00 0.00 H new ATOM 575 N LYS A 38 -4.762 -0.218 3.304 1.00 0.00 N ATOM 576 CA LYS A 38 -5.337 0.765 2.385 1.00 0.00 C ATOM 577 C LYS A 38 -4.328 1.156 1.305 1.00 0.00 C ATOM 578 O LYS A 38 -4.702 1.495 0.182 1.00 0.00 O ATOM 579 CB LYS A 38 -5.762 2.023 3.146 1.00 0.00 C ATOM 580 CG LYS A 38 -6.673 1.632 4.312 1.00 0.00 C ATOM 581 CD LYS A 38 -7.398 2.875 4.833 1.00 0.00 C ATOM 582 CE LYS A 38 -7.912 2.610 6.249 1.00 0.00 C ATOM 583 NZ LYS A 38 -8.269 3.879 6.945 1.00 0.00 N ATOM 0 H LYS A 38 -4.774 0.060 4.285 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.208 0.309 1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.883 2.550 3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.284 2.707 2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.397 0.885 3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.085 1.179 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.722 3.730 4.834 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.229 3.127 4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.785 1.960 6.205 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.150 2.081 6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.614 3.665 7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.429 4.489 7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.014 4.370 6.411 1.00 0.00 H new ATOM 597 N LEU A 39 -3.046 1.105 1.658 1.00 0.00 N ATOM 598 CA LEU A 39 -1.991 1.456 0.711 1.00 0.00 C ATOM 599 C LEU A 39 -1.958 0.463 -0.448 1.00 0.00 C ATOM 600 O LEU A 39 -2.052 0.845 -1.615 1.00 0.00 O ATOM 601 CB LEU A 39 -0.628 1.468 1.409 1.00 0.00 C ATOM 602 CG LEU A 39 0.290 2.633 1.032 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.650 2.453 1.707 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.476 2.664 -0.486 1.00 0.00 C ATOM 0 H LEU A 39 -2.715 0.827 2.582 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.204 2.452 0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.790 1.489 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.114 0.534 1.182 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.158 3.569 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.303 3.283 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.519 2.431 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.099 1.516 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.130 3.493 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.924 1.727 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.493 2.794 -0.969 1.00 0.00 H new ATOM 616 N LYS A 40 -1.822 -0.817 -0.112 1.00 0.00 N ATOM 617 CA LYS A 40 -1.778 -1.861 -1.132 1.00 0.00 C ATOM 618 C LYS A 40 -3.094 -1.903 -1.901 1.00 0.00 C ATOM 619 O LYS A 40 -3.114 -2.064 -3.121 1.00 0.00 O ATOM 620 CB LYS A 40 -1.530 -3.228 -0.491 1.00 0.00 C ATOM 621 CG LYS A 40 -0.230 -3.189 0.313 1.00 0.00 C ATOM 622 CD LYS A 40 -0.034 -4.525 1.033 1.00 0.00 C ATOM 623 CE LYS A 40 1.077 -4.387 2.075 1.00 0.00 C ATOM 624 NZ LYS A 40 1.671 -5.711 2.417 1.00 0.00 N ATOM 0 H LYS A 40 -1.741 -1.154 0.847 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.962 -1.631 -1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.364 -3.493 0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.470 -3.997 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.614 -2.994 -0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.262 -2.375 1.037 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.963 -4.830 1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.222 -5.303 0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.855 -3.725 1.694 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.677 -3.923 2.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.932 -5.725 3.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.976 -6.462 2.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.519 -5.871 1.837 1.00 0.00 H new ATOM 638 N GLU A 41 -4.194 -1.756 -1.169 1.00 0.00 N ATOM 639 CA GLU A 41 -5.518 -1.776 -1.783 1.00 0.00 C ATOM 640 C GLU A 41 -5.679 -0.605 -2.748 1.00 0.00 C ATOM 641 O GLU A 41 -5.991 -0.788 -3.925 1.00 0.00 O ATOM 642 CB GLU A 41 -6.605 -1.686 -0.710 1.00 0.00 C ATOM 643 CG GLU A 41 -6.606 -2.969 0.122 1.00 0.00 C ATOM 644 CD GLU A 41 -7.685 -2.878 1.196 1.00 0.00 C ATOM 645 OE1 GLU A 41 -8.840 -3.093 0.867 1.00 0.00 O ATOM 646 OE2 GLU A 41 -7.340 -2.595 2.331 1.00 0.00 O ATOM 0 H GLU A 41 -4.196 -1.623 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.620 -2.714 -2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.427 -0.823 -0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.580 -1.541 -1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.788 -3.831 -0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.630 -3.116 0.584 1.00 0.00 H new ATOM 653 N HIS A 42 -5.463 0.605 -2.231 1.00 0.00 N ATOM 654 CA HIS A 42 -5.588 1.821 -3.042 1.00 0.00 C ATOM 655 C HIS A 42 -4.774 1.717 -4.333 1.00 0.00 C ATOM 656 O HIS A 42 -5.250 2.066 -5.412 1.00 0.00 O ATOM 657 CB HIS A 42 -5.101 3.037 -2.250 1.00 0.00 C ATOM 658 CG HIS A 42 -5.545 4.299 -2.937 1.00 0.00 C ATOM 659 ND1 HIS A 42 -4.690 5.372 -3.136 1.00 0.00 N ATOM 660 CD2 HIS A 42 -6.751 4.677 -3.473 1.00 0.00 C ATOM 661 CE1 HIS A 42 -5.387 6.335 -3.767 1.00 0.00 C ATOM 662 NE2 HIS A 42 -6.649 5.963 -3.997 1.00 0.00 N ATOM 0 H HIS A 42 -5.202 0.771 -1.259 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.641 1.936 -3.297 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.497 3.005 -1.235 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.014 3.019 -2.168 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.644 4.069 -3.486 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.976 7.292 -4.053 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.381 6.504 -4.457 1.00 0.00 H new ATOM 670 N ALA A 43 -3.537 1.236 -4.208 1.00 0.00 N ATOM 671 CA ALA A 43 -2.649 1.090 -5.367 1.00 0.00 C ATOM 672 C ALA A 43 -3.335 0.344 -6.512 1.00 0.00 C ATOM 673 O ALA A 43 -3.287 0.772 -7.666 1.00 0.00 O ATOM 674 CB ALA A 43 -1.382 0.329 -4.972 1.00 0.00 C ATOM 0 H ALA A 43 -3.126 0.942 -3.322 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.393 2.094 -5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.732 0.228 -5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.858 0.877 -4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.652 -0.661 -4.604 1.00 0.00 H new ATOM 680 N PHE A 44 -3.971 -0.778 -6.181 1.00 0.00 N ATOM 681 CA PHE A 44 -4.662 -1.583 -7.191 1.00 0.00 C ATOM 682 C PHE A 44 -5.713 -0.750 -7.927 1.00 0.00 C ATOM 683 O PHE A 44 -5.969 -0.958 -9.114 1.00 0.00 O ATOM 684 CB PHE A 44 -5.341 -2.793 -6.532 1.00 0.00 C ATOM 685 CG PHE A 44 -5.958 -3.688 -7.589 1.00 0.00 C ATOM 686 CD1 PHE A 44 -5.206 -4.088 -8.704 1.00 0.00 C ATOM 687 CD2 PHE A 44 -7.283 -4.118 -7.450 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.780 -4.916 -9.675 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.856 -4.946 -8.423 1.00 0.00 C ATOM 690 CZ PHE A 44 -7.105 -5.345 -9.535 1.00 0.00 C ATOM 0 H PHE A 44 -4.023 -1.149 -5.232 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.920 -1.929 -7.911 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.612 -3.356 -5.949 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.110 -2.454 -5.838 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.184 -3.757 -8.813 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.863 -3.811 -6.592 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.201 -5.224 -10.533 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.878 -5.277 -8.315 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.548 -5.984 -10.285 1.00 0.00 H new ATOM 700 N CYS A 45 -6.318 0.190 -7.210 1.00 0.00 N ATOM 701 CA CYS A 45 -7.344 1.045 -7.804 1.00 0.00 C ATOM 702 C CYS A 45 -6.742 1.962 -8.866 1.00 0.00 C ATOM 703 O CYS A 45 -7.304 2.128 -9.950 1.00 0.00 O ATOM 704 CB CYS A 45 -8.019 1.893 -6.725 1.00 0.00 C ATOM 705 SG CYS A 45 -8.779 0.799 -5.499 1.00 0.00 S ATOM 0 H CYS A 45 -6.120 0.380 -6.227 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.085 0.400 -8.275 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.287 2.544 -6.246 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.775 2.539 -7.172 1.00 0.00 H new ATOM 710 N ILE A 46 -5.594 2.555 -8.549 1.00 0.00 N ATOM 711 CA ILE A 46 -4.928 3.454 -9.492 1.00 0.00 C ATOM 712 C ILE A 46 -4.252 2.637 -10.598 1.00 0.00 C ATOM 713 O ILE A 46 -4.110 3.104 -11.729 1.00 0.00 O ATOM 714 CB ILE A 46 -3.901 4.348 -8.753 1.00 0.00 C ATOM 715 CG1 ILE A 46 -4.649 5.429 -7.964 1.00 0.00 C ATOM 716 CG2 ILE A 46 -2.954 5.047 -9.744 1.00 0.00 C ATOM 717 CD1 ILE A 46 -5.449 4.790 -6.830 1.00 0.00 C ATOM 0 H ILE A 46 -5.110 2.433 -7.660 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.671 4.107 -9.950 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.316 3.711 -8.090 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.940 6.150 -7.558 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.318 5.978 -8.627 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.245 5.667 -9.195 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.411 4.297 -10.319 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.534 5.673 -10.422 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.977 5.566 -6.275 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.170 4.086 -7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.771 4.262 -6.159 1.00 0.00 H new ATOM 729 N LEU A 47 -3.845 1.409 -10.270 1.00 0.00 N ATOM 730 CA LEU A 47 -3.200 0.544 -11.260 1.00 0.00 C ATOM 731 C LEU A 47 -4.143 0.320 -12.445 1.00 0.00 C ATOM 732 O LEU A 47 -3.781 0.544 -13.600 1.00 0.00 O ATOM 733 CB LEU A 47 -2.831 -0.811 -10.633 1.00 0.00 C ATOM 734 CG LEU A 47 -1.366 -1.254 -10.779 1.00 0.00 C ATOM 735 CD1 LEU A 47 -1.250 -2.736 -10.421 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.897 -1.049 -12.222 1.00 0.00 C ATOM 0 H LEU A 47 -3.948 0.996 -9.343 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.288 1.031 -11.606 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.073 -0.773 -9.571 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.466 -1.578 -11.077 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.744 -0.658 -10.111 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.213 -3.055 -10.523 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.577 -2.889 -9.392 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.878 -3.323 -11.092 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.142 -1.366 -12.315 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.519 -1.641 -12.894 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.980 0.005 -12.485 1.00 0.00 H new ATOM 748 N LYS A 48 -5.363 -0.114 -12.134 1.00 0.00 N ATOM 749 CA LYS A 48 -6.367 -0.361 -13.166 1.00 0.00 C ATOM 750 C LYS A 48 -6.797 0.956 -13.813 1.00 0.00 C ATOM 751 O LYS A 48 -6.913 1.053 -15.035 1.00 0.00 O ATOM 752 CB LYS A 48 -7.602 -1.045 -12.561 1.00 0.00 C ATOM 753 CG LYS A 48 -7.516 -2.560 -12.780 1.00 0.00 C ATOM 754 CD LYS A 48 -8.067 -3.289 -11.552 1.00 0.00 C ATOM 755 CE LYS A 48 -9.560 -2.990 -11.405 1.00 0.00 C ATOM 756 NZ LYS A 48 -10.201 -3.891 -10.404 1.00 0.00 N ATOM 0 H LYS A 48 -5.678 -0.301 -11.182 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.924 -1.012 -13.920 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.665 -0.825 -11.495 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.509 -0.653 -13.022 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.083 -2.842 -13.667 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.481 -2.854 -12.956 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.909 -4.363 -11.653 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.532 -2.971 -10.657 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.696 -1.952 -11.102 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.053 -3.108 -12.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.907 -3.357 -9.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.668 -4.680 -10.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.476 -4.265 -9.759 1.00 0.00 H new ATOM 770 N ARG A 49 -7.037 1.966 -12.978 1.00 0.00 N ATOM 771 CA ARG A 49 -7.464 3.274 -13.477 1.00 0.00 C ATOM 772 C ARG A 49 -6.415 3.866 -14.415 1.00 0.00 C ATOM 773 O ARG A 49 -6.738 4.378 -15.486 1.00 0.00 O ATOM 774 CB ARG A 49 -7.695 4.242 -12.315 1.00 0.00 C ATOM 775 CG ARG A 49 -9.153 4.152 -11.856 1.00 0.00 C ATOM 776 CD ARG A 49 -10.066 4.772 -12.917 1.00 0.00 C ATOM 777 NE ARG A 49 -11.162 5.505 -12.289 1.00 0.00 N ATOM 778 CZ ARG A 49 -11.453 6.750 -12.656 1.00 0.00 C ATOM 779 NH1 ARG A 49 -10.810 7.755 -12.127 1.00 0.00 N ATOM 780 NH2 ARG A 49 -12.382 6.968 -13.547 1.00 0.00 N ATOM 0 H ARG A 49 -6.945 1.907 -11.964 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.396 3.131 -14.024 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.027 4.000 -11.488 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.463 5.261 -12.625 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.428 3.111 -11.689 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.278 4.671 -10.906 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.489 5.444 -13.553 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.467 3.990 -13.561 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.713 5.055 -11.558 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.083 7.586 -11.431 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.034 8.709 -12.409 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.885 6.184 -13.962 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.605 7.923 -13.828 1.00 0.00 H new ATOM 794 N ALA A 50 -5.154 3.793 -13.998 1.00 0.00 N ATOM 795 CA ALA A 50 -4.060 4.329 -14.805 1.00 0.00 C ATOM 796 C ALA A 50 -4.008 3.656 -16.177 1.00 0.00 C ATOM 797 O ALA A 50 -3.511 4.232 -17.144 1.00 0.00 O ATOM 798 CB ALA A 50 -2.721 4.118 -14.096 1.00 0.00 C ATOM 0 H ALA A 50 -4.865 3.372 -13.115 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.241 5.395 -14.939 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.916 4.523 -14.710 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.735 4.629 -13.133 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.556 3.052 -13.939 1.00 0.00 H new ATOM 804 N GLY A 51 -4.521 2.429 -16.251 1.00 0.00 N ATOM 805 CA GLY A 51 -4.520 1.691 -17.508 1.00 0.00 C ATOM 806 C GLY A 51 -3.310 0.770 -17.588 1.00 0.00 C ATOM 807 O GLY A 51 -2.764 0.527 -18.664 1.00 0.00 O ATOM 0 H GLY A 51 -4.938 1.931 -15.464 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.436 1.106 -17.593 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.509 2.389 -18.345 1.00 0.00 H new ATOM 811 N PHE A 52 -2.897 0.262 -16.430 1.00 0.00 N ATOM 812 CA PHE A 52 -1.747 -0.634 -16.366 1.00 0.00 C ATOM 813 C PHE A 52 -2.209 -2.086 -16.304 1.00 0.00 C ATOM 814 O PHE A 52 -2.061 -2.841 -17.265 1.00 0.00 O ATOM 815 CB PHE A 52 -0.904 -0.322 -15.127 1.00 0.00 C ATOM 816 CG PHE A 52 0.151 0.702 -15.476 1.00 0.00 C ATOM 817 CD1 PHE A 52 1.041 0.461 -16.529 1.00 0.00 C ATOM 818 CD2 PHE A 52 0.237 1.894 -14.745 1.00 0.00 C ATOM 819 CE1 PHE A 52 2.019 1.410 -16.851 1.00 0.00 C ATOM 820 CE2 PHE A 52 1.214 2.843 -15.069 1.00 0.00 C ATOM 821 CZ PHE A 52 2.105 2.602 -16.121 1.00 0.00 C ATOM 0 H PHE A 52 -3.338 0.454 -15.530 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.146 -0.485 -17.263 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.541 0.055 -14.327 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.433 -1.232 -14.757 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.973 -0.457 -17.093 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.450 2.081 -13.932 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.707 1.223 -17.662 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.280 3.762 -14.506 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.858 3.335 -16.370 1.00 0.00 H new ATOM 831 N ILE A 53 -2.776 -2.466 -15.163 1.00 0.00 N ATOM 832 CA ILE A 53 -3.263 -3.830 -14.985 1.00 0.00 C ATOM 833 C ILE A 53 -4.746 -3.902 -15.354 1.00 0.00 C ATOM 834 O ILE A 53 -5.489 -2.939 -15.165 1.00 0.00 O ATOM 835 CB ILE A 53 -3.036 -4.286 -13.532 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.330 -5.783 -13.409 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.941 -3.508 -12.569 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.611 -6.335 -12.177 1.00 0.00 C ATOM 0 H ILE A 53 -2.909 -1.857 -14.356 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.710 -4.500 -15.643 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.996 -4.091 -13.269 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.404 -5.949 -13.324 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.996 -6.307 -14.305 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.763 -3.847 -11.548 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.719 -2.443 -12.641 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.985 -3.680 -12.832 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.816 -7.401 -12.083 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.537 -6.180 -12.282 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.966 -5.817 -11.286 1.00 0.00 H new ATOM 850 N ASP A 54 -5.168 -5.041 -15.895 1.00 0.00 N ATOM 851 CA ASP A 54 -6.565 -5.200 -16.296 1.00 0.00 C ATOM 852 C ASP A 54 -7.404 -5.788 -15.165 1.00 0.00 C ATOM 853 O ASP A 54 -6.879 -6.259 -14.156 1.00 0.00 O ATOM 854 CB ASP A 54 -6.677 -6.106 -17.526 1.00 0.00 C ATOM 855 CG ASP A 54 -5.936 -7.417 -17.281 1.00 0.00 C ATOM 856 OD1 ASP A 54 -5.887 -7.847 -16.140 1.00 0.00 O ATOM 857 OD2 ASP A 54 -5.431 -7.974 -18.241 1.00 0.00 O ATOM 0 H ASP A 54 -4.577 -5.855 -16.064 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.945 -4.208 -16.539 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.726 -6.307 -17.745 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.261 -5.602 -18.398 1.00 0.00 H new ATOM 862 N ALA A 55 -8.721 -5.747 -15.359 1.00 0.00 N ATOM 863 CA ALA A 55 -9.665 -6.265 -14.367 1.00 0.00 C ATOM 864 C ALA A 55 -9.368 -7.721 -13.990 1.00 0.00 C ATOM 865 O ALA A 55 -9.826 -8.203 -12.955 1.00 0.00 O ATOM 866 CB ALA A 55 -11.095 -6.183 -14.906 1.00 0.00 C ATOM 0 H ALA A 55 -9.160 -5.360 -16.194 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.556 -5.648 -13.475 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.788 -6.571 -14.160 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.342 -5.144 -15.125 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.175 -6.775 -15.818 1.00 0.00 H new ATOM 872 N SER A 56 -8.614 -8.426 -14.835 1.00 0.00 N ATOM 873 CA SER A 56 -8.294 -9.826 -14.558 1.00 0.00 C ATOM 874 C SER A 56 -7.032 -9.941 -13.705 1.00 0.00 C ATOM 875 O SER A 56 -6.859 -10.909 -12.965 1.00 0.00 O ATOM 876 CB SER A 56 -8.083 -10.592 -15.863 1.00 0.00 C ATOM 877 OG SER A 56 -6.884 -10.144 -16.481 1.00 0.00 O ATOM 0 H SER A 56 -8.220 -8.059 -15.701 1.00 0.00 H new ATOM 0 HA SER A 56 -9.134 -10.255 -14.011 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.026 -11.662 -15.665 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.930 -10.436 -16.531 1.00 0.00 H new ATOM 0 HG SER A 56 -6.567 -9.334 -16.030 1.00 0.00 H new ATOM 883 N GLY A 57 -6.159 -8.943 -13.802 1.00 0.00 N ATOM 884 CA GLY A 57 -4.931 -8.950 -13.019 1.00 0.00 C ATOM 885 C GLY A 57 -3.727 -9.335 -13.871 1.00 0.00 C ATOM 886 O GLY A 57 -2.764 -9.923 -13.377 1.00 0.00 O ATOM 0 H GLY A 57 -6.277 -8.130 -14.407 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.770 -7.963 -12.584 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.031 -9.651 -12.190 1.00 0.00 H new ATOM 890 N GLU A 58 -3.782 -8.991 -15.153 1.00 0.00 N ATOM 891 CA GLU A 58 -2.679 -9.299 -16.057 1.00 0.00 C ATOM 892 C GLU A 58 -1.580 -8.253 -15.908 1.00 0.00 C ATOM 893 O GLU A 58 -1.739 -7.105 -16.324 1.00 0.00 O ATOM 894 CB GLU A 58 -3.161 -9.317 -17.509 1.00 0.00 C ATOM 895 CG GLU A 58 -2.176 -10.115 -18.366 1.00 0.00 C ATOM 896 CD GLU A 58 -2.371 -9.754 -19.834 1.00 0.00 C ATOM 897 OE1 GLU A 58 -3.513 -9.633 -20.247 1.00 0.00 O ATOM 898 OE2 GLU A 58 -1.377 -9.601 -20.524 1.00 0.00 O ATOM 0 H GLU A 58 -4.567 -8.505 -15.586 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.290 -10.284 -15.799 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.154 -9.763 -17.568 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.246 -8.298 -17.887 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.153 -9.898 -18.060 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.333 -11.184 -18.219 1.00 0.00 H new ATOM 905 N PHE A 59 -0.468 -8.657 -15.302 1.00 0.00 N ATOM 906 CA PHE A 59 0.648 -7.727 -15.098 1.00 0.00 C ATOM 907 C PHE A 59 1.274 -7.333 -16.431 1.00 0.00 C ATOM 908 O PHE A 59 1.971 -8.120 -17.069 1.00 0.00 O ATOM 909 CB PHE A 59 1.754 -8.295 -14.178 1.00 0.00 C ATOM 910 CG PHE A 59 1.910 -9.795 -14.345 1.00 0.00 C ATOM 911 CD1 PHE A 59 2.711 -10.313 -15.371 1.00 0.00 C ATOM 912 CD2 PHE A 59 1.254 -10.663 -13.465 1.00 0.00 C ATOM 913 CE1 PHE A 59 2.854 -11.699 -15.515 1.00 0.00 C ATOM 914 CE2 PHE A 59 1.396 -12.047 -13.610 1.00 0.00 C ATOM 915 CZ PHE A 59 2.195 -12.566 -14.635 1.00 0.00 C ATOM 0 H PHE A 59 -0.312 -9.601 -14.948 1.00 0.00 H new ATOM 0 HA PHE A 59 0.219 -6.854 -14.606 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.701 -7.804 -14.402 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.515 -8.068 -13.139 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.218 -9.644 -16.051 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.637 -10.264 -12.673 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.473 -12.099 -16.305 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.889 -12.716 -12.930 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.303 -13.635 -14.747 1.00 0.00 H new ATOM 925 N GLN A 60 1.023 -6.091 -16.835 1.00 0.00 N ATOM 926 CA GLN A 60 1.574 -5.576 -18.083 1.00 0.00 C ATOM 927 C GLN A 60 2.815 -4.743 -17.779 1.00 0.00 C ATOM 928 O GLN A 60 2.788 -3.513 -17.821 1.00 0.00 O ATOM 929 CB GLN A 60 0.542 -4.708 -18.809 1.00 0.00 C ATOM 930 CG GLN A 60 -0.288 -5.583 -19.752 1.00 0.00 C ATOM 931 CD GLN A 60 -1.713 -5.045 -19.825 1.00 0.00 C ATOM 932 OE1 GLN A 60 -2.338 -4.786 -18.797 1.00 0.00 O ATOM 933 NE2 GLN A 60 -2.269 -4.860 -20.990 1.00 0.00 N ATOM 0 H GLN A 60 0.445 -5.427 -16.320 1.00 0.00 H new ATOM 0 HA GLN A 60 1.837 -6.416 -18.726 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.108 -4.216 -18.086 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.044 -3.922 -19.373 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.160 -5.591 -20.746 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.295 -6.613 -19.397 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.751 -5.075 -21.842 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.222 -4.501 -21.049 1.00 0.00 H new ATOM 942 N LEU A 61 3.902 -5.436 -17.454 1.00 0.00 N ATOM 943 CA LEU A 61 5.158 -4.766 -17.120 1.00 0.00 C ATOM 944 C LEU A 61 5.850 -4.230 -18.370 1.00 0.00 C ATOM 945 O LEU A 61 6.649 -3.297 -18.296 1.00 0.00 O ATOM 946 CB LEU A 61 6.106 -5.729 -16.387 1.00 0.00 C ATOM 947 CG LEU A 61 5.507 -6.559 -15.228 1.00 0.00 C ATOM 948 CD1 LEU A 61 4.379 -5.793 -14.521 1.00 0.00 C ATOM 949 CD2 LEU A 61 4.960 -7.879 -15.777 1.00 0.00 C ATOM 0 H LEU A 61 3.941 -6.454 -17.414 1.00 0.00 H new ATOM 0 HA LEU A 61 4.917 -3.927 -16.467 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.519 -6.421 -17.121 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.939 -5.148 -15.992 1.00 0.00 H new ATOM 0 HG LEU A 61 6.296 -6.753 -14.502 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.978 -6.402 -13.711 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.771 -4.861 -14.114 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.586 -5.572 -15.235 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.537 -8.465 -14.961 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.185 -7.673 -16.515 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.768 -8.440 -16.247 1.00 0.00 H new ATOM 961 N ASP A 62 5.541 -4.822 -19.523 1.00 0.00 N ATOM 962 CA ASP A 62 6.148 -4.378 -20.774 1.00 0.00 C ATOM 963 C ASP A 62 5.789 -2.921 -21.057 1.00 0.00 C ATOM 964 O ASP A 62 6.554 -2.191 -21.688 1.00 0.00 O ATOM 965 CB ASP A 62 5.670 -5.245 -21.940 1.00 0.00 C ATOM 966 CG ASP A 62 6.520 -4.956 -23.172 1.00 0.00 C ATOM 967 OD1 ASP A 62 7.602 -5.513 -23.265 1.00 0.00 O ATOM 968 OD2 ASP A 62 6.079 -4.181 -24.004 1.00 0.00 O ATOM 0 H ASP A 62 4.885 -5.597 -19.616 1.00 0.00 H new ATOM 0 HA ASP A 62 7.229 -4.471 -20.672 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.741 -6.300 -21.675 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.621 -5.040 -22.153 1.00 0.00 H new ATOM 973 N HIS A 63 4.616 -2.505 -20.584 1.00 0.00 N ATOM 974 CA HIS A 63 4.164 -1.132 -20.791 1.00 0.00 C ATOM 975 C HIS A 63 4.644 -0.231 -19.656 1.00 0.00 C ATOM 976 O HIS A 63 4.892 0.959 -19.852 1.00 0.00 O ATOM 977 CB HIS A 63 2.637 -1.075 -20.860 1.00 0.00 C ATOM 978 CG HIS A 63 2.187 -1.376 -22.263 1.00 0.00 C ATOM 979 ND1 HIS A 63 1.506 -0.449 -23.037 1.00 0.00 N ATOM 980 CD2 HIS A 63 2.312 -2.497 -23.047 1.00 0.00 C ATOM 981 CE1 HIS A 63 1.250 -1.023 -24.227 1.00 0.00 C ATOM 982 NE2 HIS A 63 1.720 -2.272 -24.286 1.00 0.00 N ATOM 0 H HIS A 63 3.967 -3.093 -20.060 1.00 0.00 H new ATOM 0 HA HIS A 63 4.584 -0.781 -21.734 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.204 -1.795 -20.165 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.285 -0.089 -20.558 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.797 -3.414 -22.747 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.728 -0.533 -25.036 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.658 -2.921 -25.070 1.00 0.00 H new ATOM 990 N ILE A 64 4.771 -0.810 -18.464 1.00 0.00 N ATOM 991 CA ILE A 64 5.223 -0.048 -17.302 1.00 0.00 C ATOM 992 C ILE A 64 6.681 0.372 -17.477 1.00 0.00 C ATOM 993 O ILE A 64 7.022 1.547 -17.344 1.00 0.00 O ATOM 994 CB ILE A 64 5.084 -0.887 -16.023 1.00 0.00 C ATOM 995 CG1 ILE A 64 3.624 -1.319 -15.856 1.00 0.00 C ATOM 996 CG2 ILE A 64 5.501 -0.062 -14.801 1.00 0.00 C ATOM 997 CD1 ILE A 64 3.544 -2.544 -14.940 1.00 0.00 C ATOM 0 H ILE A 64 4.570 -1.793 -18.278 1.00 0.00 H new ATOM 0 HA ILE A 64 4.600 0.842 -17.215 1.00 0.00 H new ATOM 0 HB ILE A 64 5.728 -1.763 -16.104 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.039 -0.501 -15.435 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.191 -1.553 -16.829 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.398 -0.668 -13.901 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.539 0.251 -14.911 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.863 0.818 -14.721 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.503 -2.846 -14.826 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.113 -3.364 -15.378 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.959 -2.296 -13.963 1.00 0.00 H new ATOM 1009 N LYS A 65 7.541 -0.604 -17.770 1.00 0.00 N ATOM 1010 CA LYS A 65 8.969 -0.327 -17.953 1.00 0.00 C ATOM 1011 C LYS A 65 9.191 0.796 -18.972 1.00 0.00 C ATOM 1012 O LYS A 65 9.979 1.714 -18.740 1.00 0.00 O ATOM 1013 CB LYS A 65 9.712 -1.592 -18.408 1.00 0.00 C ATOM 1014 CG LYS A 65 9.170 -2.075 -19.759 1.00 0.00 C ATOM 1015 CD LYS A 65 9.525 -3.552 -19.962 1.00 0.00 C ATOM 1016 CE LYS A 65 11.047 -3.723 -19.999 1.00 0.00 C ATOM 1017 NZ LYS A 65 11.451 -4.787 -20.962 1.00 0.00 N ATOM 0 H LYS A 65 7.280 -1.583 -17.885 1.00 0.00 H new ATOM 0 HA LYS A 65 9.367 -0.005 -16.991 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.779 -1.385 -18.490 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.597 -2.377 -17.661 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.089 -1.943 -19.796 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.592 -1.476 -20.566 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.103 -4.151 -19.155 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.087 -3.916 -20.891 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.514 -2.779 -20.280 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.411 -3.974 -19.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.487 -4.878 -20.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.024 -5.692 -20.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.124 -4.534 -21.916 1.00 0.00 H new ATOM 1031 N THR A 66 8.484 0.717 -20.097 1.00 0.00 N ATOM 1032 CA THR A 66 8.609 1.732 -21.142 1.00 0.00 C ATOM 1033 C THR A 66 8.217 3.107 -20.608 1.00 0.00 C ATOM 1034 O THR A 66 8.809 4.122 -20.972 1.00 0.00 O ATOM 1035 CB THR A 66 7.709 1.388 -22.331 1.00 0.00 C ATOM 1036 OG1 THR A 66 7.546 -0.022 -22.408 1.00 0.00 O ATOM 1037 CG2 THR A 66 8.348 1.901 -23.622 1.00 0.00 C ATOM 0 H THR A 66 7.824 -0.032 -20.308 1.00 0.00 H new ATOM 0 HA THR A 66 9.650 1.752 -21.464 1.00 0.00 H new ATOM 0 HB THR A 66 6.735 1.860 -22.198 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.801 -0.297 -21.834 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.706 1.655 -24.468 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.472 2.982 -23.562 1.00 0.00 H new ATOM 0 HG23 THR A 66 9.322 1.431 -23.757 1.00 0.00 H new ATOM 1045 N LYS A 67 7.207 3.127 -19.744 1.00 0.00 N ATOM 1046 CA LYS A 67 6.734 4.381 -19.166 1.00 0.00 C ATOM 1047 C LYS A 67 7.820 5.028 -18.313 1.00 0.00 C ATOM 1048 O LYS A 67 7.992 6.246 -18.324 1.00 0.00 O ATOM 1049 CB LYS A 67 5.497 4.139 -18.298 1.00 0.00 C ATOM 1050 CG LYS A 67 4.320 3.736 -19.188 1.00 0.00 C ATOM 1051 CD LYS A 67 3.541 4.986 -19.600 1.00 0.00 C ATOM 1052 CE LYS A 67 2.334 4.580 -20.447 1.00 0.00 C ATOM 1053 NZ LYS A 67 1.881 5.701 -21.319 1.00 0.00 N ATOM 0 H LYS A 67 6.704 2.297 -19.430 1.00 0.00 H new ATOM 0 HA LYS A 67 6.477 5.049 -19.988 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.700 3.355 -17.568 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.251 5.041 -17.738 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.682 3.212 -20.073 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.666 3.046 -18.654 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.211 5.530 -18.715 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.186 5.659 -20.166 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.593 3.719 -21.063 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.517 4.271 -19.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.061 5.394 -21.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.611 6.513 -20.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.654 5.978 -21.957 1.00 0.00 H new ATOM 1067 N PHE A 68 8.549 4.202 -17.569 1.00 0.00 N ATOM 1068 CA PHE A 68 9.614 4.709 -16.711 1.00 0.00 C ATOM 1069 C PHE A 68 10.764 5.261 -17.549 1.00 0.00 C ATOM 1070 O PHE A 68 11.238 6.374 -17.321 1.00 0.00 O ATOM 1071 CB PHE A 68 10.148 3.596 -15.809 1.00 0.00 C ATOM 1072 CG PHE A 68 9.237 3.434 -14.616 1.00 0.00 C ATOM 1073 CD1 PHE A 68 9.121 4.467 -13.679 1.00 0.00 C ATOM 1074 CD2 PHE A 68 8.509 2.250 -14.446 1.00 0.00 C ATOM 1075 CE1 PHE A 68 8.276 4.317 -12.572 1.00 0.00 C ATOM 1076 CE2 PHE A 68 7.665 2.100 -13.340 1.00 0.00 C ATOM 1077 CZ PHE A 68 7.549 3.133 -12.402 1.00 0.00 C ATOM 0 H PHE A 68 8.424 3.190 -17.542 1.00 0.00 H new ATOM 0 HA PHE A 68 9.197 5.508 -16.098 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.207 2.660 -16.365 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.159 3.835 -15.478 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.683 5.380 -13.809 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.599 1.452 -15.169 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.185 5.115 -11.850 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.103 1.187 -13.210 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.899 3.016 -11.548 1.00 0.00 H new ATOM 1087 N LYS A 69 11.209 4.467 -18.522 1.00 0.00 N ATOM 1088 CA LYS A 69 12.314 4.880 -19.389 1.00 0.00 C ATOM 1089 C LYS A 69 11.855 5.837 -20.500 1.00 0.00 C ATOM 1090 O LYS A 69 12.644 6.189 -21.377 1.00 0.00 O ATOM 1091 CB LYS A 69 12.965 3.655 -20.039 1.00 0.00 C ATOM 1092 CG LYS A 69 11.912 2.858 -20.816 1.00 0.00 C ATOM 1093 CD LYS A 69 12.498 2.393 -22.152 1.00 0.00 C ATOM 1094 CE LYS A 69 13.625 1.390 -21.894 1.00 0.00 C ATOM 1095 NZ LYS A 69 14.438 1.159 -23.121 1.00 0.00 N ATOM 0 H LYS A 69 10.827 3.544 -18.729 1.00 0.00 H new ATOM 0 HA LYS A 69 13.031 5.403 -18.756 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.764 3.970 -20.710 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.420 3.025 -19.275 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.589 1.997 -20.231 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.030 3.475 -20.990 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.720 1.933 -22.762 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.878 3.248 -22.711 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.267 1.759 -21.094 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.202 0.445 -21.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.193 0.475 -22.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.829 0.784 -23.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.860 2.057 -23.432 1.00 0.00 H new ATOM 1109 N GLU A 70 10.583 6.258 -20.471 1.00 0.00 N ATOM 1110 CA GLU A 70 10.057 7.171 -21.497 1.00 0.00 C ATOM 1111 C GLU A 70 10.998 8.356 -21.735 1.00 0.00 C ATOM 1112 O GLU A 70 11.245 8.751 -22.875 1.00 0.00 O ATOM 1113 CB GLU A 70 8.678 7.702 -21.084 1.00 0.00 C ATOM 1114 CG GLU A 70 8.786 8.472 -19.763 1.00 0.00 C ATOM 1115 CD GLU A 70 7.388 8.761 -19.226 1.00 0.00 C ATOM 1116 OE1 GLU A 70 6.533 9.121 -20.020 1.00 0.00 O ATOM 1117 OE2 GLU A 70 7.192 8.619 -18.031 1.00 0.00 O ATOM 0 H GLU A 70 9.906 5.986 -19.758 1.00 0.00 H new ATOM 0 HA GLU A 70 9.973 6.602 -22.423 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.282 8.354 -21.863 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.978 6.874 -20.975 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.353 7.890 -19.036 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.328 9.405 -19.917 1.00 0.00 H new ATOM 1210 N LYS A 77 17.466 0.362 -17.516 1.00 0.00 N ATOM 1211 CA LYS A 77 17.667 -0.135 -16.156 1.00 0.00 C ATOM 1212 C LYS A 77 16.329 -0.426 -15.480 1.00 0.00 C ATOM 1213 O LYS A 77 16.173 -1.436 -14.795 1.00 0.00 O ATOM 1214 CB LYS A 77 18.433 0.894 -15.323 1.00 0.00 C ATOM 1215 CG LYS A 77 19.938 0.638 -15.445 1.00 0.00 C ATOM 1216 CD LYS A 77 20.618 0.922 -14.104 1.00 0.00 C ATOM 1217 CE LYS A 77 20.514 2.414 -13.783 1.00 0.00 C ATOM 1218 NZ LYS A 77 20.626 2.665 -12.318 1.00 0.00 N ATOM 0 HA LYS A 77 18.243 -1.058 -16.220 1.00 0.00 H new ATOM 0 HB2 LYS A 77 18.197 1.902 -15.665 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.127 0.832 -14.279 1.00 0.00 H new ATOM 0 HG2 LYS A 77 20.118 -0.395 -15.744 1.00 0.00 H new ATOM 0 HG3 LYS A 77 20.363 1.274 -16.222 1.00 0.00 H new ATOM 0 HD2 LYS A 77 20.147 0.336 -13.315 1.00 0.00 H new ATOM 0 HD3 LYS A 77 21.665 0.620 -14.144 1.00 0.00 H new ATOM 0 HE2 LYS A 77 21.301 2.956 -14.308 1.00 0.00 H new ATOM 0 HE3 LYS A 77 19.563 2.801 -14.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 20.552 3.686 -12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 19.860 2.167 -11.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 21.544 2.318 -11.975 1.00 0.00 H new ATOM 1232 N VAL A 78 15.366 0.474 -15.674 1.00 0.00 N ATOM 1233 CA VAL A 78 14.044 0.305 -15.070 1.00 0.00 C ATOM 1234 C VAL A 78 13.405 -1.004 -15.529 1.00 0.00 C ATOM 1235 O VAL A 78 12.688 -1.658 -14.770 1.00 0.00 O ATOM 1236 CB VAL A 78 13.121 1.472 -15.448 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.782 1.345 -14.703 1.00 0.00 C ATOM 1238 CG2 VAL A 78 13.792 2.800 -15.074 1.00 0.00 C ATOM 0 H VAL A 78 15.473 1.318 -16.237 1.00 0.00 H new ATOM 0 HA VAL A 78 14.175 0.284 -13.988 1.00 0.00 H new ATOM 0 HB VAL A 78 12.936 1.447 -16.522 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.133 2.177 -14.977 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.302 0.405 -14.975 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.961 1.363 -13.628 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.136 3.628 -15.343 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.983 2.822 -14.001 1.00 0.00 H new ATOM 0 HG23 VAL A 78 14.735 2.895 -15.612 1.00 0.00 H new ATOM 1248 N ASP A 79 13.669 -1.383 -16.781 1.00 0.00 N ATOM 1249 CA ASP A 79 13.109 -2.621 -17.337 1.00 0.00 C ATOM 1250 C ASP A 79 13.375 -3.811 -16.412 1.00 0.00 C ATOM 1251 O ASP A 79 12.472 -4.590 -16.106 1.00 0.00 O ATOM 1252 CB ASP A 79 13.705 -2.915 -18.720 1.00 0.00 C ATOM 1253 CG ASP A 79 15.227 -2.810 -18.667 1.00 0.00 C ATOM 1254 OD1 ASP A 79 15.724 -1.696 -18.656 1.00 0.00 O ATOM 1255 OD2 ASP A 79 15.872 -3.845 -18.637 1.00 0.00 O ATOM 0 H ASP A 79 14.261 -0.858 -17.425 1.00 0.00 H new ATOM 0 HA ASP A 79 12.033 -2.477 -17.430 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.412 -3.913 -19.046 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.309 -2.211 -19.452 1.00 0.00 H new ATOM 1260 N ASP A 80 14.622 -3.935 -15.963 1.00 0.00 N ATOM 1261 CA ASP A 80 14.991 -5.026 -15.066 1.00 0.00 C ATOM 1262 C ASP A 80 14.327 -4.836 -13.706 1.00 0.00 C ATOM 1263 O ASP A 80 13.906 -5.797 -13.063 1.00 0.00 O ATOM 1264 CB ASP A 80 16.509 -5.074 -14.877 1.00 0.00 C ATOM 1265 CG ASP A 80 16.934 -6.495 -14.528 1.00 0.00 C ATOM 1266 OD1 ASP A 80 16.794 -7.360 -15.377 1.00 0.00 O ATOM 1267 OD2 ASP A 80 17.394 -6.698 -13.416 1.00 0.00 O ATOM 0 H ASP A 80 15.385 -3.302 -16.202 1.00 0.00 H new ATOM 0 HA ASP A 80 14.653 -5.961 -15.512 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.010 -4.747 -15.788 1.00 0.00 H new ATOM 0 HB3 ASP A 80 16.809 -4.388 -14.085 1.00 0.00 H new ATOM 1272 N LEU A 81 14.244 -3.579 -13.277 1.00 0.00 N ATOM 1273 CA LEU A 81 13.634 -3.256 -11.990 1.00 0.00 C ATOM 1274 C LEU A 81 12.150 -3.613 -11.988 1.00 0.00 C ATOM 1275 O LEU A 81 11.626 -4.138 -11.007 1.00 0.00 O ATOM 1276 CB LEU A 81 13.791 -1.765 -11.686 1.00 0.00 C ATOM 1277 CG LEU A 81 13.950 -1.409 -10.207 1.00 0.00 C ATOM 1278 CD1 LEU A 81 15.367 -1.759 -9.746 1.00 0.00 C ATOM 1279 CD2 LEU A 81 13.709 0.091 -10.015 1.00 0.00 C ATOM 0 H LEU A 81 14.589 -2.772 -13.798 1.00 0.00 H new ATOM 0 HA LEU A 81 14.143 -3.841 -11.223 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.660 -1.391 -12.227 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.921 -1.238 -12.077 1.00 0.00 H new ATOM 0 HG LEU A 81 13.226 -1.973 -9.619 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.480 -1.505 -8.692 1.00 0.00 H new ATOM 0 HD12 LEU A 81 15.541 -2.826 -9.883 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.091 -1.195 -10.334 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.822 0.346 -8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.433 0.654 -10.604 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.700 0.342 -10.343 1.00 0.00 H new ATOM 1291 N VAL A 82 11.476 -3.319 -13.097 1.00 0.00 N ATOM 1292 CA VAL A 82 10.048 -3.612 -13.208 1.00 0.00 C ATOM 1293 C VAL A 82 9.800 -5.114 -13.078 1.00 0.00 C ATOM 1294 O VAL A 82 8.880 -5.547 -12.390 1.00 0.00 O ATOM 1295 CB VAL A 82 9.505 -3.118 -14.556 1.00 0.00 C ATOM 1296 CG1 VAL A 82 7.992 -3.350 -14.629 1.00 0.00 C ATOM 1297 CG2 VAL A 82 9.793 -1.619 -14.703 1.00 0.00 C ATOM 0 H VAL A 82 11.888 -2.884 -13.922 1.00 0.00 H new ATOM 0 HA VAL A 82 9.530 -3.094 -12.401 1.00 0.00 H new ATOM 0 HB VAL A 82 9.993 -3.670 -15.360 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.616 -2.996 -15.589 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.782 -4.415 -14.527 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.501 -2.804 -13.823 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.408 -1.267 -15.660 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.307 -1.074 -13.894 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.869 -1.449 -14.660 1.00 0.00 H new ATOM 1307 N ALA A 83 10.629 -5.902 -13.751 1.00 0.00 N ATOM 1308 CA ALA A 83 10.486 -7.354 -13.707 1.00 0.00 C ATOM 1309 C ALA A 83 10.664 -7.878 -12.283 1.00 0.00 C ATOM 1310 O ALA A 83 9.847 -8.652 -11.784 1.00 0.00 O ATOM 1311 CB ALA A 83 11.527 -8.019 -14.611 1.00 0.00 C ATOM 0 H ALA A 83 11.400 -5.566 -14.328 1.00 0.00 H new ATOM 0 HA ALA A 83 9.483 -7.598 -14.056 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.408 -9.102 -14.568 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.388 -7.679 -15.637 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.528 -7.750 -14.272 1.00 0.00 H new ATOM 1317 N LYS A 84 11.753 -7.461 -11.642 1.00 0.00 N ATOM 1318 CA LYS A 84 12.054 -7.907 -10.281 1.00 0.00 C ATOM 1319 C LYS A 84 11.124 -7.269 -9.248 1.00 0.00 C ATOM 1320 O LYS A 84 10.915 -7.821 -8.168 1.00 0.00 O ATOM 1321 CB LYS A 84 13.500 -7.558 -9.920 1.00 0.00 C ATOM 1322 CG LYS A 84 13.957 -8.418 -8.738 1.00 0.00 C ATOM 1323 CD LYS A 84 13.776 -7.636 -7.434 1.00 0.00 C ATOM 1324 CE LYS A 84 15.028 -6.797 -7.167 1.00 0.00 C ATOM 1325 NZ LYS A 84 15.213 -6.547 -5.709 1.00 0.00 N ATOM 0 H LYS A 84 12.439 -6.819 -12.039 1.00 0.00 H new ATOM 0 HA LYS A 84 11.905 -8.987 -10.260 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.150 -7.727 -10.778 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.577 -6.501 -9.665 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.380 -9.342 -8.703 1.00 0.00 H new ATOM 0 HG3 LYS A 84 15.003 -8.700 -8.863 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.900 -6.991 -7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.602 -8.323 -6.606 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.904 -7.311 -7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.950 -5.846 -7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.070 -5.976 -5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.387 -6.036 -5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.311 -7.455 -5.211 1.00 0.00 H new ATOM 1339 N CYS A 85 10.579 -6.099 -9.572 1.00 0.00 N ATOM 1340 CA CYS A 85 9.690 -5.407 -8.635 1.00 0.00 C ATOM 1341 C CYS A 85 8.237 -5.832 -8.831 1.00 0.00 C ATOM 1342 O CYS A 85 7.492 -5.995 -7.865 1.00 0.00 O ATOM 1343 CB CYS A 85 9.796 -3.891 -8.808 1.00 0.00 C ATOM 1344 SG CYS A 85 11.412 -3.333 -8.212 1.00 0.00 S ATOM 0 H CYS A 85 10.731 -5.616 -10.457 1.00 0.00 H new ATOM 0 HA CYS A 85 10.005 -5.682 -7.628 1.00 0.00 H new ATOM 0 HB2 CYS A 85 9.670 -3.623 -9.857 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.000 -3.394 -8.254 1.00 0.00 H new ATOM 1349 N ALA A 86 7.837 -6.007 -10.087 1.00 0.00 N ATOM 1350 CA ALA A 86 6.461 -6.405 -10.394 1.00 0.00 C ATOM 1351 C ALA A 86 6.285 -7.929 -10.326 1.00 0.00 C ATOM 1352 O ALA A 86 5.712 -8.544 -11.227 1.00 0.00 O ATOM 1353 CB ALA A 86 6.074 -5.918 -11.795 1.00 0.00 C ATOM 0 H ALA A 86 8.436 -5.882 -10.903 1.00 0.00 H new ATOM 0 HA ALA A 86 5.813 -5.948 -9.646 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.049 -6.218 -12.015 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.150 -4.831 -11.836 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.747 -6.357 -12.532 1.00 0.00 H new ATOM 1359 N VAL A 87 6.768 -8.536 -9.243 1.00 0.00 N ATOM 1360 CA VAL A 87 6.643 -9.982 -9.076 1.00 0.00 C ATOM 1361 C VAL A 87 5.172 -10.387 -9.011 1.00 0.00 C ATOM 1362 O VAL A 87 4.406 -9.868 -8.200 1.00 0.00 O ATOM 1363 CB VAL A 87 7.345 -10.436 -7.792 1.00 0.00 C ATOM 1364 CG1 VAL A 87 8.844 -10.156 -7.903 1.00 0.00 C ATOM 1365 CG2 VAL A 87 6.771 -9.673 -6.592 1.00 0.00 C ATOM 0 H VAL A 87 7.243 -8.057 -8.478 1.00 0.00 H new ATOM 0 HA VAL A 87 7.113 -10.462 -9.934 1.00 0.00 H new ATOM 0 HB VAL A 87 7.183 -11.505 -7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.343 -10.479 -6.989 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.254 -10.702 -8.753 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.005 -9.087 -8.046 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.272 -9.998 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.929 -8.604 -6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.703 -9.874 -6.510 1.00 0.00 H new ATOM 1375 N LYS A 88 4.787 -11.324 -9.874 1.00 0.00 N ATOM 1376 CA LYS A 88 3.404 -11.795 -9.901 1.00 0.00 C ATOM 1377 C LYS A 88 3.072 -12.519 -8.599 1.00 0.00 C ATOM 1378 O LYS A 88 3.652 -13.558 -8.283 1.00 0.00 O ATOM 1379 CB LYS A 88 3.183 -12.746 -11.081 1.00 0.00 C ATOM 1380 CG LYS A 88 4.222 -13.877 -11.044 1.00 0.00 C ATOM 1381 CD LYS A 88 3.531 -15.208 -10.736 1.00 0.00 C ATOM 1382 CE LYS A 88 4.545 -16.347 -10.843 1.00 0.00 C ATOM 1383 NZ LYS A 88 4.612 -16.888 -12.230 1.00 0.00 N ATOM 0 H LYS A 88 5.403 -11.767 -10.555 1.00 0.00 H new ATOM 0 HA LYS A 88 2.750 -10.930 -10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.177 -13.163 -11.039 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.262 -12.198 -12.020 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.740 -13.939 -12.001 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.977 -13.665 -10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.101 -15.183 -9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.709 -15.373 -11.432 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.530 -15.989 -10.543 1.00 0.00 H new ATOM 0 HE3 LYS A 88 4.272 -17.145 -10.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.309 -17.659 -12.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.678 -17.252 -12.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.896 -16.131 -12.884 1.00 0.00 H new ATOM 1397 N LYS A 89 2.137 -11.953 -7.841 1.00 0.00 N ATOM 1398 CA LYS A 89 1.738 -12.544 -6.566 1.00 0.00 C ATOM 1399 C LYS A 89 0.452 -13.354 -6.724 1.00 0.00 C ATOM 1400 O LYS A 89 -0.064 -13.520 -7.828 1.00 0.00 O ATOM 1401 CB LYS A 89 1.516 -11.449 -5.520 1.00 0.00 C ATOM 1402 CG LYS A 89 2.828 -10.700 -5.280 1.00 0.00 C ATOM 1403 CD LYS A 89 3.837 -11.641 -4.618 1.00 0.00 C ATOM 1404 CE LYS A 89 4.934 -10.820 -3.935 1.00 0.00 C ATOM 1405 NZ LYS A 89 4.636 -10.610 -2.490 1.00 0.00 N ATOM 0 H LYS A 89 1.645 -11.093 -8.084 1.00 0.00 H new ATOM 0 HA LYS A 89 2.539 -13.206 -6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.746 -10.756 -5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.160 -11.888 -4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.226 -10.329 -6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.653 -9.832 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.334 -12.274 -3.887 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.276 -12.303 -5.364 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.891 -11.330 -4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.031 -9.855 -4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.798 -9.613 -2.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.644 -10.857 -2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.258 -11.214 -1.916 1.00 0.00 H new ATOM 1419 N ASP A 90 -0.056 -13.859 -5.601 1.00 0.00 N ATOM 1420 CA ASP A 90 -1.282 -14.653 -5.615 1.00 0.00 C ATOM 1421 C ASP A 90 -2.484 -13.812 -6.053 1.00 0.00 C ATOM 1422 O ASP A 90 -3.516 -14.353 -6.452 1.00 0.00 O ATOM 1423 CB ASP A 90 -1.560 -15.231 -4.226 1.00 0.00 C ATOM 1424 CG ASP A 90 -1.594 -14.101 -3.201 1.00 0.00 C ATOM 1425 OD1 ASP A 90 -0.544 -13.546 -2.925 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -2.671 -13.808 -2.708 1.00 0.00 O ATOM 0 H ASP A 90 0.359 -13.734 -4.678 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.138 -15.463 -6.330 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.510 -15.765 -4.226 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.789 -15.954 -3.960 1.00 0.00 H new ATOM 1431 N THR A 91 -2.349 -12.487 -5.977 1.00 0.00 N ATOM 1432 CA THR A 91 -3.440 -11.600 -6.373 1.00 0.00 C ATOM 1433 C THR A 91 -2.876 -10.351 -7.054 1.00 0.00 C ATOM 1434 O THR A 91 -1.778 -9.902 -6.724 1.00 0.00 O ATOM 1435 CB THR A 91 -4.287 -11.190 -5.156 1.00 0.00 C ATOM 1436 OG1 THR A 91 -5.116 -10.092 -5.505 1.00 0.00 O ATOM 1437 CG2 THR A 91 -3.383 -10.789 -3.985 1.00 0.00 C ATOM 0 H THR A 91 -1.508 -12.011 -5.650 1.00 0.00 H new ATOM 0 HA THR A 91 -4.080 -12.139 -7.072 1.00 0.00 H new ATOM 0 HB THR A 91 -4.901 -12.039 -4.855 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.792 -9.958 -4.808 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.998 -10.502 -3.132 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.750 -11.632 -3.708 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.757 -9.947 -4.280 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.611 -9.783 -8.019 1.00 0.00 N ATOM 1446 CA PRO A 92 -3.160 -8.587 -8.752 1.00 0.00 C ATOM 1447 C PRO A 92 -3.073 -7.344 -7.870 1.00 0.00 C ATOM 1448 O PRO A 92 -2.126 -6.564 -7.973 1.00 0.00 O ATOM 1449 CB PRO A 92 -4.215 -8.404 -9.841 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.430 -9.075 -9.308 1.00 0.00 C ATOM 1451 CD PRO A 92 -4.937 -10.229 -8.488 1.00 0.00 C ATOM 0 HA PRO A 92 -2.150 -8.718 -9.141 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.401 -7.348 -10.039 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.895 -8.853 -10.781 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.020 -8.389 -8.701 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.073 -9.418 -10.118 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.606 -10.442 -7.654 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.866 -11.141 -9.081 1.00 0.00 H new ATOM 1459 N GLN A 93 -4.066 -7.160 -7.004 1.00 0.00 N ATOM 1460 CA GLN A 93 -4.077 -5.998 -6.116 1.00 0.00 C ATOM 1461 C GLN A 93 -2.812 -5.952 -5.253 1.00 0.00 C ATOM 1462 O GLN A 93 -2.419 -4.891 -4.769 1.00 0.00 O ATOM 1463 CB GLN A 93 -5.319 -6.008 -5.215 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.320 -7.260 -4.333 1.00 0.00 C ATOM 1465 CD GLN A 93 -6.743 -7.795 -4.199 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -6.965 -9.004 -4.246 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -7.730 -6.957 -4.032 1.00 0.00 N ATOM 0 H GLN A 93 -4.862 -7.789 -6.897 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.104 -5.107 -6.744 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.332 -5.114 -4.591 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -6.221 -5.984 -5.826 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.674 -8.023 -4.767 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.916 -7.023 -3.349 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.547 -5.954 -3.993 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.684 -7.305 -3.941 1.00 0.00 H new ATOM 1476 N HIS A 94 -2.174 -7.109 -5.073 1.00 0.00 N ATOM 1477 CA HIS A 94 -0.951 -7.172 -4.279 1.00 0.00 C ATOM 1478 C HIS A 94 0.216 -6.605 -5.079 1.00 0.00 C ATOM 1479 O HIS A 94 0.907 -5.687 -4.636 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.635 -8.618 -3.888 1.00 0.00 C ATOM 1481 CG HIS A 94 0.230 -8.628 -2.658 1.00 0.00 C ATOM 1482 ND1 HIS A 94 1.023 -9.713 -2.320 1.00 0.00 N ATOM 1483 CD2 HIS A 94 0.435 -7.693 -1.673 1.00 0.00 C ATOM 1484 CE1 HIS A 94 1.663 -9.408 -1.176 1.00 0.00 C ATOM 1485 NE2 HIS A 94 1.340 -8.187 -0.738 1.00 0.00 N ATOM 0 H HIS A 94 -2.479 -8.002 -5.461 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.100 -6.583 -3.374 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.559 -9.165 -3.700 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.126 -9.124 -4.708 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.035 -6.722 -1.630 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.353 -10.069 -0.673 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.683 -7.718 0.101 1.00 0.00 H new ATOM 1493 N SER A 95 0.422 -7.164 -6.273 1.00 0.00 N ATOM 1494 CA SER A 95 1.505 -6.720 -7.162 1.00 0.00 C ATOM 1495 C SER A 95 1.535 -5.195 -7.298 1.00 0.00 C ATOM 1496 O SER A 95 2.583 -4.602 -7.551 1.00 0.00 O ATOM 1497 CB SER A 95 1.333 -7.333 -8.552 1.00 0.00 C ATOM 1498 OG SER A 95 0.083 -6.926 -9.093 1.00 0.00 O ATOM 0 H SER A 95 -0.144 -7.924 -6.649 1.00 0.00 H new ATOM 0 HA SER A 95 2.443 -7.051 -6.717 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.146 -7.016 -9.205 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.379 -8.420 -8.491 1.00 0.00 H new ATOM 0 HG SER A 95 -0.635 -7.153 -8.466 1.00 0.00 H new ATOM 1504 N SER A 96 0.369 -4.568 -7.132 1.00 0.00 N ATOM 1505 CA SER A 96 0.270 -3.111 -7.243 1.00 0.00 C ATOM 1506 C SER A 96 1.228 -2.422 -6.274 1.00 0.00 C ATOM 1507 O SER A 96 2.037 -1.584 -6.670 1.00 0.00 O ATOM 1508 CB SER A 96 -1.157 -2.649 -6.947 1.00 0.00 C ATOM 1509 OG SER A 96 -1.404 -2.755 -5.551 1.00 0.00 O ATOM 0 H SER A 96 -0.511 -5.039 -6.923 1.00 0.00 H new ATOM 0 HA SER A 96 0.539 -2.838 -8.264 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.294 -1.619 -7.275 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.871 -3.257 -7.502 1.00 0.00 H new ATOM 0 HG SER A 96 -2.022 -3.497 -5.383 1.00 0.00 H new ATOM 1515 N ALA A 97 1.128 -2.782 -4.998 1.00 0.00 N ATOM 1516 CA ALA A 97 1.994 -2.189 -3.980 1.00 0.00 C ATOM 1517 C ALA A 97 3.464 -2.459 -4.299 1.00 0.00 C ATOM 1518 O ALA A 97 4.339 -1.649 -3.994 1.00 0.00 O ATOM 1519 CB ALA A 97 1.669 -2.765 -2.599 1.00 0.00 C ATOM 0 H ALA A 97 0.465 -3.473 -4.645 1.00 0.00 H new ATOM 0 HA ALA A 97 1.817 -1.113 -3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.323 -2.313 -1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.630 -2.549 -2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.822 -3.844 -2.610 1.00 0.00 H new ATOM 1525 N ASP A 98 3.722 -3.610 -4.915 1.00 0.00 N ATOM 1526 CA ASP A 98 5.090 -3.982 -5.269 1.00 0.00 C ATOM 1527 C ASP A 98 5.696 -2.969 -6.237 1.00 0.00 C ATOM 1528 O ASP A 98 6.901 -2.721 -6.220 1.00 0.00 O ATOM 1529 CB ASP A 98 5.122 -5.369 -5.914 1.00 0.00 C ATOM 1530 CG ASP A 98 4.503 -6.387 -4.963 1.00 0.00 C ATOM 1531 OD1 ASP A 98 3.295 -6.355 -4.798 1.00 0.00 O ATOM 1532 OD2 ASP A 98 5.245 -7.182 -4.412 1.00 0.00 O ATOM 0 H ASP A 98 3.012 -4.294 -5.177 1.00 0.00 H new ATOM 0 HA ASP A 98 5.676 -3.995 -4.350 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.574 -5.356 -6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.149 -5.650 -6.146 1.00 0.00 H new ATOM 1537 N PHE A 99 4.849 -2.380 -7.083 1.00 0.00 N ATOM 1538 CA PHE A 99 5.325 -1.390 -8.053 1.00 0.00 C ATOM 1539 C PHE A 99 5.980 -0.215 -7.333 1.00 0.00 C ATOM 1540 O PHE A 99 7.171 0.049 -7.502 1.00 0.00 O ATOM 1541 CB PHE A 99 4.170 -0.858 -8.906 1.00 0.00 C ATOM 1542 CG PHE A 99 3.834 -1.841 -10.003 1.00 0.00 C ATOM 1543 CD1 PHE A 99 4.842 -2.338 -10.839 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.508 -2.250 -10.188 1.00 0.00 C ATOM 1545 CE1 PHE A 99 4.523 -3.244 -11.858 1.00 0.00 C ATOM 1546 CE2 PHE A 99 2.189 -3.155 -11.205 1.00 0.00 C ATOM 1547 CZ PHE A 99 3.196 -3.652 -12.041 1.00 0.00 C ATOM 0 H PHE A 99 3.847 -2.566 -7.118 1.00 0.00 H new ATOM 0 HA PHE A 99 6.052 -1.884 -8.698 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.294 -0.688 -8.280 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.443 0.104 -9.341 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.865 -2.022 -10.698 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.730 -1.866 -9.544 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.300 -3.628 -12.502 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.166 -3.471 -11.346 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.949 -4.350 -12.827 1.00 0.00 H new ATOM 1557 N PHE A 100 5.187 0.482 -6.525 1.00 0.00 N ATOM 1558 CA PHE A 100 5.696 1.627 -5.774 1.00 0.00 C ATOM 1559 C PHE A 100 6.790 1.177 -4.812 1.00 0.00 C ATOM 1560 O PHE A 100 6.963 -0.017 -4.570 1.00 0.00 O ATOM 1561 CB PHE A 100 4.571 2.289 -4.976 1.00 0.00 C ATOM 1562 CG PHE A 100 3.834 3.268 -5.858 1.00 0.00 C ATOM 1563 CD1 PHE A 100 4.457 4.457 -6.256 1.00 0.00 C ATOM 1564 CD2 PHE A 100 2.529 2.986 -6.278 1.00 0.00 C ATOM 1565 CE1 PHE A 100 3.774 5.364 -7.073 1.00 0.00 C ATOM 1566 CE2 PHE A 100 1.846 3.894 -7.095 1.00 0.00 C ATOM 1567 CZ PHE A 100 2.468 5.084 -7.493 1.00 0.00 C ATOM 0 H PHE A 100 4.199 0.278 -6.373 1.00 0.00 H new ATOM 0 HA PHE A 100 6.104 2.346 -6.484 1.00 0.00 H new ATOM 0 HB2 PHE A 100 3.882 1.532 -4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.982 2.804 -4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 100 5.464 4.674 -5.932 1.00 0.00 H new ATOM 0 HD2 PHE A 100 2.049 2.068 -5.972 1.00 0.00 H new ATOM 0 HE1 PHE A 100 4.255 6.281 -7.380 1.00 0.00 H new ATOM 0 HE2 PHE A 100 0.839 3.677 -7.419 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.941 5.785 -8.123 1.00 0.00 H new ATOM 1577 N LYS A 101 7.526 2.149 -4.268 1.00 0.00 N ATOM 1578 CA LYS A 101 8.615 1.857 -3.327 1.00 0.00 C ATOM 1579 C LYS A 101 9.779 1.182 -4.049 1.00 0.00 C ATOM 1580 O LYS A 101 10.868 1.744 -4.158 1.00 0.00 O ATOM 1581 CB LYS A 101 8.141 0.947 -2.184 1.00 0.00 C ATOM 1582 CG LYS A 101 6.871 1.525 -1.547 1.00 0.00 C ATOM 1583 CD LYS A 101 5.870 0.399 -1.276 1.00 0.00 C ATOM 1584 CE LYS A 101 4.456 0.979 -1.200 1.00 0.00 C ATOM 1585 NZ LYS A 101 3.423 -0.075 -1.411 1.00 0.00 N ATOM 0 H LYS A 101 7.390 3.141 -4.460 1.00 0.00 H new ATOM 0 HA LYS A 101 8.943 2.808 -2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.944 -0.055 -2.564 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.925 0.854 -1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.119 2.035 -0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.426 2.268 -2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.925 -0.349 -2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.118 -0.105 -0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.306 1.448 -0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.340 1.759 -1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.498 0.373 -1.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.679 -0.651 -2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.370 -0.683 -0.569 1.00 0.00 H new ATOM 1599 N CYS A 102 9.536 -0.034 -4.542 1.00 0.00 N ATOM 1600 CA CYS A 102 10.566 -0.799 -5.257 1.00 0.00 C ATOM 1601 C CYS A 102 11.265 0.054 -6.318 1.00 0.00 C ATOM 1602 O CYS A 102 12.494 0.129 -6.362 1.00 0.00 O ATOM 1603 CB CYS A 102 9.938 -2.018 -5.938 1.00 0.00 C ATOM 1604 SG CYS A 102 11.207 -3.277 -6.205 1.00 0.00 S ATOM 0 H CYS A 102 8.638 -0.511 -4.461 1.00 0.00 H new ATOM 0 HA CYS A 102 11.305 -1.117 -4.522 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.135 -2.420 -5.320 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.493 -1.727 -6.889 1.00 0.00 H new ATOM 1609 N VAL A 103 10.469 0.697 -7.168 1.00 0.00 N ATOM 1610 CA VAL A 103 11.024 1.542 -8.223 1.00 0.00 C ATOM 1611 C VAL A 103 11.841 2.688 -7.628 1.00 0.00 C ATOM 1612 O VAL A 103 12.763 3.203 -8.262 1.00 0.00 O ATOM 1613 CB VAL A 103 9.904 2.124 -9.088 1.00 0.00 C ATOM 1614 CG1 VAL A 103 9.186 0.992 -9.822 1.00 0.00 C ATOM 1615 CG2 VAL A 103 8.906 2.868 -8.198 1.00 0.00 C ATOM 0 H VAL A 103 9.450 0.651 -7.149 1.00 0.00 H new ATOM 0 HA VAL A 103 11.674 0.920 -8.838 1.00 0.00 H new ATOM 0 HB VAL A 103 10.329 2.816 -9.815 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.388 1.406 -10.438 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.896 0.462 -10.456 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.761 0.299 -9.096 1.00 0.00 H new ATOM 0 HG21 VAL A 103 8.108 3.283 -8.814 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.481 2.176 -7.471 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.417 3.676 -7.674 1.00 0.00 H new ATOM 1625 N HIS A 104 11.493 3.086 -6.405 1.00 0.00 N ATOM 1626 CA HIS A 104 12.204 4.175 -5.738 1.00 0.00 C ATOM 1627 C HIS A 104 13.460 3.649 -5.050 1.00 0.00 C ATOM 1628 O HIS A 104 14.576 4.067 -5.359 1.00 0.00 O ATOM 1629 CB HIS A 104 11.304 4.840 -4.695 1.00 0.00 C ATOM 1630 CG HIS A 104 10.176 5.553 -5.388 1.00 0.00 C ATOM 1631 ND1 HIS A 104 10.385 6.391 -6.473 1.00 0.00 N ATOM 1632 CD2 HIS A 104 8.821 5.564 -5.163 1.00 0.00 C ATOM 1633 CE1 HIS A 104 9.186 6.866 -6.856 1.00 0.00 C ATOM 1634 NE2 HIS A 104 8.199 6.393 -6.091 1.00 0.00 N ATOM 0 H HIS A 104 10.733 2.677 -5.862 1.00 0.00 H new ATOM 0 HA HIS A 104 12.485 4.908 -6.494 1.00 0.00 H new ATOM 0 HB2 HIS A 104 10.908 4.090 -4.010 1.00 0.00 H new ATOM 0 HB3 HIS A 104 11.882 5.545 -4.097 1.00 0.00 H new ATOM 0 HD2 HIS A 104 8.315 5.013 -4.384 1.00 0.00 H new ATOM 0 HE1 HIS A 104 9.040 7.547 -7.681 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.203 6.596 -6.170 1.00 0.00 H new ATOM 1642 N ASP A 105 13.265 2.726 -4.113 1.00 0.00 N ATOM 1643 CA ASP A 105 14.389 2.146 -3.383 1.00 0.00 C ATOM 1644 C ASP A 105 15.320 1.409 -4.340 1.00 0.00 C ATOM 1645 O ASP A 105 15.121 0.232 -4.639 1.00 0.00 O ATOM 1646 CB ASP A 105 13.889 1.168 -2.319 1.00 0.00 C ATOM 1647 CG ASP A 105 13.435 1.943 -1.087 1.00 0.00 C ATOM 1648 OD1 ASP A 105 12.365 2.528 -1.141 1.00 0.00 O ATOM 1649 OD2 ASP A 105 14.162 1.941 -0.108 1.00 0.00 O ATOM 0 H ASP A 105 12.350 2.366 -3.843 1.00 0.00 H new ATOM 0 HA ASP A 105 14.933 2.958 -2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.063 0.576 -2.714 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.682 0.470 -2.051 1.00 0.00 H new