USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=12 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+ 168:sc= 0.46 (180deg=0) USER MOD Set 1.2: A 94 HIS : no HD1:sc= 0.323 K(o=0.78,f=-4.3) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 87:sc= 0.503 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.36) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= 0.495 (180deg=0.133) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0223 USER MOD Single : A 60 GLN : amide:sc= -0.424 K(o=-0.42,f=-1) USER MOD Single : A 63 HIS : no HD1:sc= -0.411 X(o=-0.41,f=-0.13) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 114:sc= 1.2 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 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot -49:sc= 1.13 USER MOD Single : A 96 SER OG : rot -111:sc= 0.549 USER MOD Single : A 101 LYS NZ :NH3+ -131:sc= -1.6 (180deg=-3.51!) USER MOD Single : A 104 HIS : no HD1:sc= -4.78 X(o=-4.8,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 11 -10.452 8.458 -5.848 1.00 0.00 N ATOM 183 CA SER A 11 -11.246 7.269 -6.142 1.00 0.00 C ATOM 184 C SER A 11 -12.345 7.093 -5.098 1.00 0.00 C ATOM 185 O SER A 11 -12.103 6.587 -4.002 1.00 0.00 O ATOM 186 CB SER A 11 -10.362 6.023 -6.152 1.00 0.00 C ATOM 187 OG SER A 11 -9.601 5.996 -7.352 1.00 0.00 O ATOM 0 HA SER A 11 -11.696 7.399 -7.126 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.699 6.027 -5.287 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.977 5.126 -6.078 1.00 0.00 H new ATOM 0 HG SER A 11 -9.032 5.198 -7.360 1.00 0.00 H new ATOM 193 N ASP A 12 -13.555 7.520 -5.452 1.00 0.00 N ATOM 194 CA ASP A 12 -14.696 7.411 -4.540 1.00 0.00 C ATOM 195 C ASP A 12 -14.920 5.961 -4.116 1.00 0.00 C ATOM 196 O ASP A 12 -15.167 5.674 -2.944 1.00 0.00 O ATOM 197 CB ASP A 12 -15.968 7.935 -5.210 1.00 0.00 C ATOM 198 CG ASP A 12 -16.168 7.230 -6.548 1.00 0.00 C ATOM 199 OD1 ASP A 12 -15.398 7.497 -7.456 1.00 0.00 O ATOM 200 OD2 ASP A 12 -17.087 6.435 -6.644 1.00 0.00 O ATOM 0 H ASP A 12 -13.772 7.941 -6.355 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.472 8.011 -3.658 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -16.829 7.763 -4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -15.894 9.012 -5.362 1.00 0.00 H new ATOM 205 N ALA A 13 -14.833 5.051 -5.082 1.00 0.00 N ATOM 206 CA ALA A 13 -15.032 3.632 -4.798 1.00 0.00 C ATOM 207 C ALA A 13 -13.851 3.073 -4.010 1.00 0.00 C ATOM 208 O ALA A 13 -14.021 2.275 -3.089 1.00 0.00 O ATOM 209 CB ALA A 13 -15.182 2.840 -6.098 1.00 0.00 C ATOM 0 H ALA A 13 -14.628 5.266 -6.058 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.942 3.534 -4.206 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.329 1.785 -5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.042 3.213 -6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.282 2.957 -6.701 1.00 0.00 H new ATOM 215 N CYS A 14 -12.650 3.502 -4.386 1.00 0.00 N ATOM 216 CA CYS A 14 -11.438 3.041 -3.711 1.00 0.00 C ATOM 217 C CYS A 14 -11.249 3.738 -2.359 1.00 0.00 C ATOM 218 O CYS A 14 -10.419 3.321 -1.551 1.00 0.00 O ATOM 219 CB CYS A 14 -10.210 3.308 -4.581 1.00 0.00 C ATOM 220 SG CYS A 14 -8.934 2.074 -4.223 1.00 0.00 S ATOM 0 H CYS A 14 -12.489 4.162 -5.147 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.549 1.970 -3.542 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.483 3.268 -5.636 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.826 4.310 -4.388 1.00 0.00 H new ATOM 225 N LYS A 15 -12.015 4.804 -2.116 1.00 0.00 N ATOM 226 CA LYS A 15 -11.901 5.534 -0.856 1.00 0.00 C ATOM 227 C LYS A 15 -12.591 4.776 0.277 1.00 0.00 C ATOM 228 O LYS A 15 -12.228 4.917 1.445 1.00 0.00 O ATOM 229 CB LYS A 15 -12.533 6.921 -0.984 1.00 0.00 C ATOM 230 CG LYS A 15 -12.171 7.762 0.242 1.00 0.00 C ATOM 231 CD LYS A 15 -12.009 9.227 -0.173 1.00 0.00 C ATOM 232 CE LYS A 15 -10.919 9.881 0.678 1.00 0.00 C ATOM 233 NZ LYS A 15 -11.004 11.369 0.619 1.00 0.00 N ATOM 0 H LYS A 15 -12.709 5.175 -2.765 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.840 5.634 -0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.180 7.411 -1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.616 6.832 -1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.949 7.672 1.001 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.247 7.395 0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.747 9.290 -1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.952 9.758 -0.046 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.015 9.550 1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.939 9.557 0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.252 11.783 1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.888 11.685 -0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.931 11.678 0.975 1.00 0.00 H new ATOM 247 N ALA A 16 -13.594 3.975 -0.077 1.00 0.00 N ATOM 248 CA ALA A 16 -14.334 3.204 0.922 1.00 0.00 C ATOM 249 C ALA A 16 -13.400 2.277 1.700 1.00 0.00 C ATOM 250 O ALA A 16 -13.329 2.334 2.928 1.00 0.00 O ATOM 251 CB ALA A 16 -15.419 2.362 0.248 1.00 0.00 C ATOM 0 H ALA A 16 -13.911 3.843 -1.037 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.792 3.912 1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.961 1.794 1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.112 3.017 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.958 1.674 -0.461 1.00 0.00 H new ATOM 257 N GLU A 17 -12.691 1.417 0.973 1.00 0.00 N ATOM 258 CA GLU A 17 -11.772 0.474 1.607 1.00 0.00 C ATOM 259 C GLU A 17 -10.434 1.139 1.919 1.00 0.00 C ATOM 260 O GLU A 17 -10.063 1.304 3.081 1.00 0.00 O ATOM 261 CB GLU A 17 -11.526 -0.733 0.696 1.00 0.00 C ATOM 262 CG GLU A 17 -10.696 -1.785 1.442 1.00 0.00 C ATOM 263 CD GLU A 17 -10.812 -3.126 0.727 1.00 0.00 C ATOM 264 OE1 GLU A 17 -11.924 -3.506 0.398 1.00 0.00 O ATOM 265 OE2 GLU A 17 -9.788 -3.755 0.518 1.00 0.00 O ATOM 0 H GLU A 17 -12.733 1.353 -0.044 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.233 0.143 2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.477 -1.163 0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.004 -0.418 -0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.652 -1.474 1.488 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.046 -1.878 2.470 1.00 0.00 H new ATOM 272 N SER A 18 -9.704 1.502 0.868 1.00 0.00 N ATOM 273 CA SER A 18 -8.398 2.128 1.046 1.00 0.00 C ATOM 274 C SER A 18 -8.543 3.582 1.505 1.00 0.00 C ATOM 275 O SER A 18 -8.450 3.874 2.696 1.00 0.00 O ATOM 276 CB SER A 18 -7.583 2.067 -0.255 1.00 0.00 C ATOM 277 OG SER A 18 -8.452 1.811 -1.351 1.00 0.00 O ATOM 0 H SER A 18 -9.990 1.376 -0.103 1.00 0.00 H new ATOM 0 HA SER A 18 -7.867 1.573 1.819 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.054 3.008 -0.409 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.828 1.284 -0.186 1.00 0.00 H new ATOM 0 HG SER A 18 -8.810 2.658 -1.689 1.00 0.00 H new ATOM 283 N GLY A 19 -8.758 4.494 0.555 1.00 0.00 N ATOM 284 CA GLY A 19 -8.897 5.912 0.890 1.00 0.00 C ATOM 285 C GLY A 19 -7.686 6.411 1.683 1.00 0.00 C ATOM 286 O GLY A 19 -7.777 7.383 2.433 1.00 0.00 O ATOM 0 H GLY A 19 -8.839 4.280 -0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.003 6.496 -0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.805 6.064 1.473 1.00 0.00 H new ATOM 290 N VAL A 20 -6.552 5.729 1.512 1.00 0.00 N ATOM 291 CA VAL A 20 -5.327 6.100 2.217 1.00 0.00 C ATOM 292 C VAL A 20 -4.943 7.551 1.910 1.00 0.00 C ATOM 293 O VAL A 20 -4.584 7.890 0.783 1.00 0.00 O ATOM 294 CB VAL A 20 -4.183 5.151 1.820 1.00 0.00 C ATOM 295 CG1 VAL A 20 -3.881 5.285 0.323 1.00 0.00 C ATOM 296 CG2 VAL A 20 -2.926 5.487 2.628 1.00 0.00 C ATOM 0 H VAL A 20 -6.458 4.922 0.895 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.505 6.013 3.289 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.487 4.126 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.070 4.609 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.771 5.031 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.587 6.311 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.119 4.812 2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.627 6.516 2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.136 5.373 3.692 1.00 0.00 H new ATOM 306 N SER A 21 -5.026 8.400 2.931 1.00 0.00 N ATOM 307 CA SER A 21 -4.686 9.810 2.766 1.00 0.00 C ATOM 308 C SER A 21 -3.189 9.967 2.519 1.00 0.00 C ATOM 309 O SER A 21 -2.475 8.986 2.309 1.00 0.00 O ATOM 310 CB SER A 21 -5.075 10.603 4.014 1.00 0.00 C ATOM 311 OG SER A 21 -4.172 10.294 5.067 1.00 0.00 O ATOM 0 H SER A 21 -5.322 8.140 3.872 1.00 0.00 H new ATOM 0 HA SER A 21 -5.238 10.195 1.909 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.052 11.672 3.802 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.095 10.359 4.311 1.00 0.00 H new ATOM 0 HG SER A 21 -4.418 10.802 5.868 1.00 0.00 H new ATOM 317 N GLU A 22 -2.720 11.211 2.548 1.00 0.00 N ATOM 318 CA GLU A 22 -1.304 11.485 2.327 1.00 0.00 C ATOM 319 C GLU A 22 -0.509 11.254 3.613 1.00 0.00 C ATOM 320 O GLU A 22 0.115 12.167 4.156 1.00 0.00 O ATOM 321 CB GLU A 22 -1.107 12.930 1.857 1.00 0.00 C ATOM 322 CG GLU A 22 -1.326 13.010 0.345 1.00 0.00 C ATOM 323 CD GLU A 22 -0.575 14.212 -0.216 1.00 0.00 C ATOM 324 OE1 GLU A 22 0.571 14.399 0.161 1.00 0.00 O ATOM 325 OE2 GLU A 22 -1.156 14.930 -1.013 1.00 0.00 O ATOM 0 H GLU A 22 -3.293 12.037 2.720 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.942 10.805 1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.806 13.589 2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.103 13.271 2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.977 12.095 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.390 13.098 0.125 1.00 0.00 H new ATOM 332 N GLU A 23 -0.538 10.013 4.092 1.00 0.00 N ATOM 333 CA GLU A 23 0.182 9.658 5.312 1.00 0.00 C ATOM 334 C GLU A 23 1.128 8.494 5.040 1.00 0.00 C ATOM 335 O GLU A 23 2.349 8.640 5.093 1.00 0.00 O ATOM 336 CB GLU A 23 -0.797 9.261 6.418 1.00 0.00 C ATOM 337 CG GLU A 23 -0.220 9.658 7.779 1.00 0.00 C ATOM 338 CD GLU A 23 -0.681 11.067 8.136 1.00 0.00 C ATOM 339 OE1 GLU A 23 -1.810 11.205 8.578 1.00 0.00 O ATOM 340 OE2 GLU A 23 0.101 11.987 7.962 1.00 0.00 O ATOM 0 H GLU A 23 -1.047 9.243 3.659 1.00 0.00 H new ATOM 0 HA GLU A 23 0.753 10.528 5.636 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.757 9.752 6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.980 8.187 6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.546 8.953 8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.869 9.617 7.750 1.00 0.00 H new ATOM 347 N SER A 24 0.549 7.336 4.737 1.00 0.00 N ATOM 348 CA SER A 24 1.348 6.150 4.445 1.00 0.00 C ATOM 349 C SER A 24 2.050 6.311 3.101 1.00 0.00 C ATOM 350 O SER A 24 3.161 5.819 2.900 1.00 0.00 O ATOM 351 CB SER A 24 0.465 4.904 4.401 1.00 0.00 C ATOM 352 OG SER A 24 -0.392 4.895 5.535 1.00 0.00 O ATOM 0 H SER A 24 -0.460 7.194 4.687 1.00 0.00 H new ATOM 0 HA SER A 24 2.089 6.036 5.236 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.125 4.895 3.485 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.083 4.006 4.391 1.00 0.00 H new ATOM 0 HG SER A 24 -0.961 4.098 5.509 1.00 0.00 H new ATOM 358 N LEU A 25 1.388 7.011 2.182 1.00 0.00 N ATOM 359 CA LEU A 25 1.950 7.243 0.854 1.00 0.00 C ATOM 360 C LEU A 25 3.266 8.009 0.960 1.00 0.00 C ATOM 361 O LEU A 25 4.224 7.728 0.240 1.00 0.00 O ATOM 362 CB LEU A 25 0.969 8.041 -0.007 1.00 0.00 C ATOM 363 CG LEU A 25 -0.060 7.207 -0.773 1.00 0.00 C ATOM 364 CD1 LEU A 25 -1.241 8.092 -1.175 1.00 0.00 C ATOM 365 CD2 LEU A 25 0.589 6.625 -2.031 1.00 0.00 C ATOM 0 H LEU A 25 0.468 7.425 2.331 1.00 0.00 H new ATOM 0 HA LEU A 25 2.133 6.275 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.437 8.744 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.539 8.632 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.414 6.396 -0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.973 7.496 -1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.705 8.507 -0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.888 8.904 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.144 6.031 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.944 7.437 -2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.430 5.992 -1.747 1.00 0.00 H new ATOM 377 N ASN A 26 3.301 8.979 1.870 1.00 0.00 N ATOM 378 CA ASN A 26 4.505 9.780 2.069 1.00 0.00 C ATOM 379 C ASN A 26 5.561 8.968 2.812 1.00 0.00 C ATOM 380 O ASN A 26 6.752 9.044 2.510 1.00 0.00 O ATOM 381 CB ASN A 26 4.186 11.042 2.875 1.00 0.00 C ATOM 382 CG ASN A 26 5.110 12.173 2.437 1.00 0.00 C ATOM 383 OD1 ASN A 26 6.285 11.947 2.150 1.00 0.00 O ATOM 384 ND2 ASN A 26 4.645 13.390 2.370 1.00 0.00 N ATOM 0 H ASN A 26 2.518 9.228 2.475 1.00 0.00 H new ATOM 0 HA ASN A 26 4.886 10.067 1.089 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.145 11.329 2.724 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.312 10.847 3.940 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.255 14.154 2.080 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.671 13.578 2.608 1.00 0.00 H new ATOM 391 N LYS A 27 5.107 8.186 3.787 1.00 0.00 N ATOM 392 CA LYS A 27 6.014 7.351 4.571 1.00 0.00 C ATOM 393 C LYS A 27 6.759 6.361 3.675 1.00 0.00 C ATOM 394 O LYS A 27 7.826 5.864 4.035 1.00 0.00 O ATOM 395 CB LYS A 27 5.238 6.572 5.635 1.00 0.00 C ATOM 396 CG LYS A 27 4.930 7.490 6.819 1.00 0.00 C ATOM 397 CD LYS A 27 3.834 6.859 7.681 1.00 0.00 C ATOM 398 CE LYS A 27 3.221 7.927 8.588 1.00 0.00 C ATOM 399 NZ LYS A 27 2.577 7.317 9.786 1.00 0.00 N ATOM 0 H LYS A 27 4.125 8.112 4.052 1.00 0.00 H new ATOM 0 HA LYS A 27 6.736 8.010 5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.311 6.183 5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.821 5.714 5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.830 7.648 7.414 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.608 8.468 6.461 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.064 6.420 7.046 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.250 6.051 8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.995 8.626 8.905 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.483 8.502 8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.171 8.067 10.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.822 6.669 9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.288 6.789 10.331 1.00 0.00 H new ATOM 413 N VAL A 28 6.186 6.074 2.504 1.00 0.00 N ATOM 414 CA VAL A 28 6.809 5.139 1.568 1.00 0.00 C ATOM 415 C VAL A 28 8.199 5.626 1.157 1.00 0.00 C ATOM 416 O VAL A 28 9.063 4.830 0.790 1.00 0.00 O ATOM 417 CB VAL A 28 5.946 4.979 0.314 1.00 0.00 C ATOM 418 CG1 VAL A 28 6.504 3.849 -0.554 1.00 0.00 C ATOM 419 CG2 VAL A 28 4.509 4.642 0.722 1.00 0.00 C ATOM 0 H VAL A 28 5.302 6.471 2.185 1.00 0.00 H new ATOM 0 HA VAL A 28 6.900 4.177 2.073 1.00 0.00 H new ATOM 0 HB VAL A 28 5.957 5.911 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.888 3.737 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.527 4.086 -0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.496 2.917 0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.894 4.528 -0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.501 3.711 1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.108 5.446 1.338 1.00 0.00 H new ATOM 429 N ARG A 29 8.408 6.944 1.221 1.00 0.00 N ATOM 430 CA ARG A 29 9.702 7.523 0.853 1.00 0.00 C ATOM 431 C ARG A 29 10.828 6.893 1.670 1.00 0.00 C ATOM 432 O ARG A 29 11.957 6.756 1.197 1.00 0.00 O ATOM 433 CB ARG A 29 9.698 9.034 1.093 1.00 0.00 C ATOM 434 CG ARG A 29 8.790 9.712 0.066 1.00 0.00 C ATOM 435 CD ARG A 29 9.558 9.909 -1.242 1.00 0.00 C ATOM 436 NE ARG A 29 10.597 10.923 -1.081 1.00 0.00 N ATOM 437 CZ ARG A 29 11.128 11.532 -2.138 1.00 0.00 C ATOM 438 NH1 ARG A 29 11.387 10.853 -3.221 1.00 0.00 N ATOM 439 NH2 ARG A 29 11.390 12.810 -2.090 1.00 0.00 N ATOM 0 H ARG A 29 7.707 7.622 1.520 1.00 0.00 H new ATOM 0 HA ARG A 29 9.869 7.321 -0.205 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.349 9.252 2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.711 9.428 1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.903 9.103 -0.109 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.447 10.674 0.447 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.008 8.966 -1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.870 10.208 -2.032 1.00 0.00 H new ATOM 0 HE ARG A 29 10.920 11.168 -0.145 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.182 9.854 -3.258 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.794 11.321 -4.031 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.188 13.341 -1.243 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.797 13.278 -2.900 1.00 0.00 H new ATOM 453 N ASN A 30 10.505 6.505 2.901 1.00 0.00 N ATOM 454 CA ASN A 30 11.492 5.883 3.778 1.00 0.00 C ATOM 455 C ASN A 30 11.503 4.373 3.568 1.00 0.00 C ATOM 456 O ASN A 30 10.460 3.720 3.597 1.00 0.00 O ATOM 457 CB ASN A 30 11.169 6.181 5.244 1.00 0.00 C ATOM 458 CG ASN A 30 11.816 7.500 5.650 1.00 0.00 C ATOM 459 OD1 ASN A 30 11.141 8.525 5.752 1.00 0.00 O ATOM 460 ND2 ASN A 30 13.098 7.538 5.890 1.00 0.00 N ATOM 0 H ASN A 30 9.577 6.609 3.311 1.00 0.00 H new ATOM 0 HA ASN A 30 12.471 6.294 3.534 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.090 6.235 5.386 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.534 5.374 5.879 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.540 8.416 6.162 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.658 6.690 5.806 1.00 0.00 H new ATOM 467 N ARG A 31 12.695 3.826 3.351 1.00 0.00 N ATOM 468 CA ARG A 31 12.833 2.388 3.132 1.00 0.00 C ATOM 469 C ARG A 31 12.691 1.632 4.450 1.00 0.00 C ATOM 470 O ARG A 31 13.681 1.264 5.083 1.00 0.00 O ATOM 471 CB ARG A 31 14.195 2.070 2.512 1.00 0.00 C ATOM 472 CG ARG A 31 14.057 0.886 1.552 1.00 0.00 C ATOM 473 CD ARG A 31 15.422 0.555 0.948 1.00 0.00 C ATOM 474 NE ARG A 31 16.243 -0.182 1.906 1.00 0.00 N ATOM 475 CZ ARG A 31 16.811 -1.339 1.576 1.00 0.00 C ATOM 476 NH1 ARG A 31 16.110 -2.440 1.598 1.00 0.00 N ATOM 477 NH2 ARG A 31 18.068 -1.373 1.230 1.00 0.00 N ATOM 0 H ARG A 31 13.571 4.348 3.322 1.00 0.00 H new ATOM 0 HA ARG A 31 12.044 2.073 2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 31 14.576 2.941 1.979 1.00 0.00 H new ATOM 0 HB3 ARG A 31 14.916 1.835 3.295 1.00 0.00 H new ATOM 0 HG2 ARG A 31 13.662 0.019 2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 31 13.347 1.127 0.761 1.00 0.00 H new ATOM 0 HD2 ARG A 31 15.291 -0.037 0.042 1.00 0.00 H new ATOM 0 HD3 ARG A 31 15.930 1.475 0.657 1.00 0.00 H new ATOM 0 HE ARG A 31 16.383 0.197 2.843 1.00 0.00 H new ATOM 0 HH11 ARG A 31 15.127 -2.413 1.868 1.00 0.00 H new ATOM 0 HH12 ARG A 31 16.545 -3.327 1.345 1.00 0.00 H new ATOM 0 HH21 ARG A 31 18.616 -0.513 1.212 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.504 -2.260 0.977 1.00 0.00 H new ATOM 491 N GLU A 32 11.445 1.405 4.856 1.00 0.00 N ATOM 492 CA GLU A 32 11.178 0.690 6.100 1.00 0.00 C ATOM 493 C GLU A 32 10.315 -0.542 5.831 1.00 0.00 C ATOM 494 O GLU A 32 10.802 -1.673 5.852 1.00 0.00 O ATOM 495 CB GLU A 32 10.459 1.600 7.099 1.00 0.00 C ATOM 496 CG GLU A 32 11.438 2.651 7.629 1.00 0.00 C ATOM 497 CD GLU A 32 10.688 3.654 8.497 1.00 0.00 C ATOM 498 OE1 GLU A 32 9.975 3.220 9.388 1.00 0.00 O ATOM 499 OE2 GLU A 32 10.838 4.841 8.261 1.00 0.00 O ATOM 0 H GLU A 32 10.612 1.702 4.348 1.00 0.00 H new ATOM 0 HA GLU A 32 12.133 0.378 6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.611 2.087 6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.061 1.009 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.226 2.170 8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.922 3.164 6.798 1.00 0.00 H new ATOM 506 N GLU A 33 9.027 -0.312 5.577 1.00 0.00 N ATOM 507 CA GLU A 33 8.103 -1.411 5.302 1.00 0.00 C ATOM 508 C GLU A 33 6.697 -0.873 5.051 1.00 0.00 C ATOM 509 O GLU A 33 6.172 -0.963 3.941 1.00 0.00 O ATOM 510 CB GLU A 33 8.061 -2.389 6.483 1.00 0.00 C ATOM 511 CG GLU A 33 7.891 -3.817 5.960 1.00 0.00 C ATOM 512 CD GLU A 33 9.140 -4.229 5.188 1.00 0.00 C ATOM 513 OE1 GLU A 33 10.220 -4.126 5.747 1.00 0.00 O ATOM 514 OE2 GLU A 33 8.999 -4.640 4.048 1.00 0.00 O ATOM 0 H GLU A 33 8.603 0.616 5.556 1.00 0.00 H new ATOM 0 HA GLU A 33 8.457 -1.934 4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.979 -2.311 7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.237 -2.135 7.150 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.722 -4.502 6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.015 -3.877 5.314 1.00 0.00 H new ATOM 521 N VAL A 34 6.094 -0.314 6.098 1.00 0.00 N ATOM 522 CA VAL A 34 4.745 0.239 5.988 1.00 0.00 C ATOM 523 C VAL A 34 3.752 -0.850 5.589 1.00 0.00 C ATOM 524 O VAL A 34 3.410 -0.999 4.415 1.00 0.00 O ATOM 525 CB VAL A 34 4.703 1.360 4.947 1.00 0.00 C ATOM 526 CG1 VAL A 34 3.337 2.049 4.991 1.00 0.00 C ATOM 527 CG2 VAL A 34 5.798 2.385 5.254 1.00 0.00 C ATOM 0 H VAL A 34 6.513 -0.232 7.024 1.00 0.00 H new ATOM 0 HA VAL A 34 4.470 0.643 6.962 1.00 0.00 H new ATOM 0 HB VAL A 34 4.866 0.938 3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.308 2.847 4.249 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.555 1.322 4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.173 2.470 5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.768 3.183 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.635 2.805 6.246 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.772 1.897 5.222 1.00 0.00 H new ATOM 537 N ASP A 35 3.290 -1.606 6.580 1.00 0.00 N ATOM 538 CA ASP A 35 2.332 -2.677 6.325 1.00 0.00 C ATOM 539 C ASP A 35 0.905 -2.145 6.431 1.00 0.00 C ATOM 540 O ASP A 35 0.222 -2.345 7.437 1.00 0.00 O ATOM 541 CB ASP A 35 2.521 -3.816 7.329 1.00 0.00 C ATOM 542 CG ASP A 35 2.011 -5.120 6.724 1.00 0.00 C ATOM 543 OD1 ASP A 35 0.830 -5.390 6.860 1.00 0.00 O ATOM 544 OD2 ASP A 35 2.810 -5.828 6.133 1.00 0.00 O ATOM 0 H ASP A 35 3.560 -1.499 7.558 1.00 0.00 H new ATOM 0 HA ASP A 35 2.505 -3.055 5.317 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.575 -3.912 7.591 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.982 -3.595 8.250 1.00 0.00 H new ATOM 549 N ASP A 36 0.461 -1.459 5.379 1.00 0.00 N ATOM 550 CA ASP A 36 -0.888 -0.897 5.364 1.00 0.00 C ATOM 551 C ASP A 36 -1.690 -1.460 4.184 1.00 0.00 C ATOM 552 O ASP A 36 -1.194 -1.500 3.059 1.00 0.00 O ATOM 553 CB ASP A 36 -0.828 0.627 5.241 1.00 0.00 C ATOM 554 CG ASP A 36 -0.458 1.232 6.591 1.00 0.00 C ATOM 555 OD1 ASP A 36 0.703 1.150 6.957 1.00 0.00 O ATOM 556 OD2 ASP A 36 -1.341 1.770 7.239 1.00 0.00 O ATOM 0 H ASP A 36 1.007 -1.281 4.536 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.377 -1.169 6.299 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.093 0.913 4.489 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.791 1.014 4.909 1.00 0.00 H new ATOM 561 N PRO A 37 -2.938 -1.898 4.419 1.00 0.00 N ATOM 562 CA PRO A 37 -3.785 -2.451 3.353 1.00 0.00 C ATOM 563 C PRO A 37 -4.291 -1.374 2.397 1.00 0.00 C ATOM 564 O PRO A 37 -4.277 -1.547 1.178 1.00 0.00 O ATOM 565 CB PRO A 37 -4.955 -3.086 4.102 1.00 0.00 C ATOM 566 CG PRO A 37 -5.030 -2.350 5.394 1.00 0.00 C ATOM 567 CD PRO A 37 -3.634 -1.902 5.718 1.00 0.00 C ATOM 0 HA PRO A 37 -3.234 -3.155 2.730 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.883 -2.990 3.539 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.789 -4.151 4.264 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.702 -1.495 5.314 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.423 -2.992 6.183 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.630 -0.912 6.173 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.153 -2.579 6.424 1.00 0.00 H new ATOM 575 N LYS A 38 -4.741 -0.256 2.968 1.00 0.00 N ATOM 576 CA LYS A 38 -5.258 0.860 2.171 1.00 0.00 C ATOM 577 C LYS A 38 -4.250 1.286 1.105 1.00 0.00 C ATOM 578 O LYS A 38 -4.623 1.690 0.003 1.00 0.00 O ATOM 579 CB LYS A 38 -5.560 2.063 3.068 1.00 0.00 C ATOM 580 CG LYS A 38 -6.549 1.660 4.165 1.00 0.00 C ATOM 581 CD LYS A 38 -6.945 2.899 4.972 1.00 0.00 C ATOM 582 CE LYS A 38 -8.359 2.716 5.528 1.00 0.00 C ATOM 583 NZ LYS A 38 -8.335 2.069 6.871 1.00 0.00 N ATOM 0 H LYS A 38 -4.759 -0.098 3.976 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.173 0.520 1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.638 2.434 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.975 2.876 2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.434 1.203 3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.099 0.914 4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.239 3.055 5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.903 3.786 4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.852 3.685 5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.947 2.108 4.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.308 1.959 7.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.885 1.134 6.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.795 2.662 7.533 1.00 0.00 H new ATOM 597 N LEU A 39 -2.968 1.190 1.446 1.00 0.00 N ATOM 598 CA LEU A 39 -1.910 1.568 0.512 1.00 0.00 C ATOM 599 C LEU A 39 -1.892 0.616 -0.682 1.00 0.00 C ATOM 600 O LEU A 39 -1.917 1.042 -1.836 1.00 0.00 O ATOM 601 CB LEU A 39 -0.546 1.542 1.215 1.00 0.00 C ATOM 602 CG LEU A 39 0.281 2.823 1.085 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.651 2.613 1.732 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.465 3.164 -0.396 1.00 0.00 C ATOM 0 H LEU A 39 -2.638 0.857 2.352 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.108 2.579 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.705 1.338 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.035 0.712 0.814 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.237 3.641 1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.241 3.525 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.522 2.370 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.168 1.794 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.054 4.076 -0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.983 2.345 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.510 3.313 -0.859 1.00 0.00 H new ATOM 616 N LYS A 40 -1.850 -0.681 -0.388 1.00 0.00 N ATOM 617 CA LYS A 40 -1.829 -1.692 -1.441 1.00 0.00 C ATOM 618 C LYS A 40 -3.120 -1.640 -2.252 1.00 0.00 C ATOM 619 O LYS A 40 -3.111 -1.791 -3.474 1.00 0.00 O ATOM 620 CB LYS A 40 -1.679 -3.093 -0.839 1.00 0.00 C ATOM 621 CG LYS A 40 -0.458 -3.135 0.091 1.00 0.00 C ATOM 622 CD LYS A 40 0.718 -3.806 -0.626 1.00 0.00 C ATOM 623 CE LYS A 40 1.508 -4.658 0.370 1.00 0.00 C ATOM 624 NZ LYS A 40 2.568 -5.452 -0.316 1.00 0.00 N ATOM 0 H LYS A 40 -1.830 -1.054 0.561 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.979 -1.483 -2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.579 -3.358 -0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.567 -3.830 -1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.183 -2.124 0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.701 -3.683 1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.352 -4.429 -1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.367 -3.050 -1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.963 -4.014 1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.829 -5.330 0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.212 -5.857 0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.128 -6.219 -0.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.105 -4.834 -0.957 1.00 0.00 H new ATOM 638 N GLU A 41 -4.232 -1.425 -1.555 1.00 0.00 N ATOM 639 CA GLU A 41 -5.535 -1.355 -2.211 1.00 0.00 C ATOM 640 C GLU A 41 -5.593 -0.175 -3.177 1.00 0.00 C ATOM 641 O GLU A 41 -5.915 -0.333 -4.355 1.00 0.00 O ATOM 642 CB GLU A 41 -6.648 -1.201 -1.170 1.00 0.00 C ATOM 643 CG GLU A 41 -7.166 -2.583 -0.766 1.00 0.00 C ATOM 644 CD GLU A 41 -6.143 -3.268 0.134 1.00 0.00 C ATOM 645 OE1 GLU A 41 -5.169 -3.779 -0.392 1.00 0.00 O ATOM 646 OE2 GLU A 41 -6.349 -3.271 1.337 1.00 0.00 O ATOM 0 H GLU A 41 -4.258 -1.297 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.678 -2.281 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.271 -0.672 -0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.462 -0.601 -1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.118 -2.488 -0.245 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.348 -3.189 -1.654 1.00 0.00 H new ATOM 653 N HIS A 42 -5.283 1.015 -2.661 1.00 0.00 N ATOM 654 CA HIS A 42 -5.306 2.237 -3.474 1.00 0.00 C ATOM 655 C HIS A 42 -4.516 2.062 -4.772 1.00 0.00 C ATOM 656 O HIS A 42 -4.986 2.415 -5.854 1.00 0.00 O ATOM 657 CB HIS A 42 -4.709 3.407 -2.690 1.00 0.00 C ATOM 658 CG HIS A 42 -5.173 4.704 -3.293 1.00 0.00 C ATOM 659 ND1 HIS A 42 -4.443 5.876 -3.173 1.00 0.00 N ATOM 660 CD2 HIS A 42 -6.289 5.030 -4.024 1.00 0.00 C ATOM 661 CE1 HIS A 42 -5.123 6.844 -3.817 1.00 0.00 C ATOM 662 NE2 HIS A 42 -6.254 6.381 -4.354 1.00 0.00 N ATOM 0 H HIS A 42 -5.014 1.161 -1.688 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.348 2.443 -3.720 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.013 3.351 -1.645 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.620 3.354 -2.709 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.074 4.342 -4.301 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.793 7.870 -3.890 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -6.945 6.905 -4.891 1.00 0.00 H new ATOM 670 N ALA A 43 -3.307 1.519 -4.650 1.00 0.00 N ATOM 671 CA ALA A 43 -2.445 1.305 -5.814 1.00 0.00 C ATOM 672 C ALA A 43 -3.162 0.501 -6.900 1.00 0.00 C ATOM 673 O ALA A 43 -3.172 0.887 -8.069 1.00 0.00 O ATOM 674 CB ALA A 43 -1.174 0.556 -5.404 1.00 0.00 C ATOM 0 H ALA A 43 -2.902 1.220 -3.763 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.188 2.286 -6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.543 0.404 -6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.630 1.141 -4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.443 -0.411 -4.978 1.00 0.00 H new ATOM 680 N PHE A 44 -3.755 -0.623 -6.503 1.00 0.00 N ATOM 681 CA PHE A 44 -4.465 -1.482 -7.453 1.00 0.00 C ATOM 682 C PHE A 44 -5.563 -0.709 -8.187 1.00 0.00 C ATOM 683 O PHE A 44 -5.843 -0.970 -9.358 1.00 0.00 O ATOM 684 CB PHE A 44 -5.090 -2.683 -6.729 1.00 0.00 C ATOM 685 CG PHE A 44 -5.666 -3.652 -7.741 1.00 0.00 C ATOM 686 CD1 PHE A 44 -4.882 -4.098 -8.815 1.00 0.00 C ATOM 687 CD2 PHE A 44 -6.982 -4.109 -7.600 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.415 -4.998 -9.744 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.515 -5.009 -8.530 1.00 0.00 C ATOM 690 CZ PHE A 44 -6.731 -5.453 -9.602 1.00 0.00 C ATOM 0 H PHE A 44 -3.760 -0.959 -5.540 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.736 -1.835 -8.183 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.337 -3.184 -6.120 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.873 -2.343 -6.051 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.867 -3.747 -8.925 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.586 -3.767 -6.773 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.811 -5.342 -10.571 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.530 -5.361 -8.421 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.142 -6.147 -10.320 1.00 0.00 H new ATOM 700 N CYS A 45 -6.181 0.239 -7.492 1.00 0.00 N ATOM 701 CA CYS A 45 -7.246 1.036 -8.098 1.00 0.00 C ATOM 702 C CYS A 45 -6.694 1.891 -9.234 1.00 0.00 C ATOM 703 O CYS A 45 -7.168 1.825 -10.368 1.00 0.00 O ATOM 704 CB CYS A 45 -7.895 1.948 -7.057 1.00 0.00 C ATOM 705 SG CYS A 45 -8.856 0.946 -5.896 1.00 0.00 S ATOM 0 H CYS A 45 -5.969 0.474 -6.522 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.994 0.348 -8.492 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.130 2.510 -6.522 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.541 2.676 -7.547 1.00 0.00 H new ATOM 710 N ILE A 46 -5.683 2.694 -8.915 1.00 0.00 N ATOM 711 CA ILE A 46 -5.065 3.562 -9.915 1.00 0.00 C ATOM 712 C ILE A 46 -4.277 2.713 -10.924 1.00 0.00 C ATOM 713 O ILE A 46 -4.077 3.121 -12.068 1.00 0.00 O ATOM 714 CB ILE A 46 -4.147 4.604 -9.227 1.00 0.00 C ATOM 715 CG1 ILE A 46 -5.011 5.688 -8.568 1.00 0.00 C ATOM 716 CG2 ILE A 46 -3.218 5.289 -10.245 1.00 0.00 C ATOM 717 CD1 ILE A 46 -5.860 5.079 -7.450 1.00 0.00 C ATOM 0 H ILE A 46 -5.277 2.763 -7.982 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.843 4.103 -10.453 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.543 4.079 -8.487 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.374 6.475 -8.164 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.657 6.152 -9.314 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.587 6.014 -9.731 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.591 4.539 -10.727 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.818 5.799 -10.999 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.469 5.858 -6.990 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.510 4.308 -7.865 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.207 4.637 -6.697 1.00 0.00 H new ATOM 729 N LEU A 47 -3.840 1.526 -10.495 1.00 0.00 N ATOM 730 CA LEU A 47 -3.088 0.636 -11.380 1.00 0.00 C ATOM 731 C LEU A 47 -3.920 0.306 -12.621 1.00 0.00 C ATOM 732 O LEU A 47 -3.427 0.344 -13.748 1.00 0.00 O ATOM 733 CB LEU A 47 -2.716 -0.660 -10.644 1.00 0.00 C ATOM 734 CG LEU A 47 -1.221 -0.862 -10.386 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.475 -0.913 -11.719 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.689 0.303 -9.548 1.00 0.00 C ATOM 0 H LEU A 47 -3.992 1.164 -9.554 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.173 1.142 -11.686 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.238 -0.677 -9.687 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.085 -1.506 -11.224 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.067 -1.798 -9.849 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.590 -1.057 -11.535 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.855 -1.741 -12.317 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.627 0.023 -12.257 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.376 0.162 -9.363 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.843 1.238 -10.086 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.221 0.340 -8.597 1.00 0.00 H new ATOM 748 N LYS A 48 -5.193 -0.008 -12.394 1.00 0.00 N ATOM 749 CA LYS A 48 -6.097 -0.334 -13.493 1.00 0.00 C ATOM 750 C LYS A 48 -6.357 0.901 -14.352 1.00 0.00 C ATOM 751 O LYS A 48 -6.406 0.820 -15.580 1.00 0.00 O ATOM 752 CB LYS A 48 -7.433 -0.856 -12.952 1.00 0.00 C ATOM 753 CG LYS A 48 -7.412 -2.387 -12.916 1.00 0.00 C ATOM 754 CD LYS A 48 -7.008 -2.862 -11.520 1.00 0.00 C ATOM 755 CE LYS A 48 -8.184 -2.677 -10.559 1.00 0.00 C ATOM 756 NZ LYS A 48 -9.232 -3.716 -10.775 1.00 0.00 N ATOM 0 H LYS A 48 -5.619 -0.044 -11.468 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.625 -1.107 -14.100 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.610 -0.461 -11.952 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.252 -0.509 -13.582 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.395 -2.780 -13.175 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.711 -2.769 -13.658 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.712 -3.911 -11.552 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.144 -2.298 -11.168 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.827 -2.727 -9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.617 -1.687 -10.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.130 -3.395 -10.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.359 -3.874 -11.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.939 -4.604 -10.321 1.00 0.00 H new ATOM 770 N ARG A 49 -6.527 2.046 -13.692 1.00 0.00 N ATOM 771 CA ARG A 49 -6.786 3.295 -14.407 1.00 0.00 C ATOM 772 C ARG A 49 -5.634 3.628 -15.351 1.00 0.00 C ATOM 773 O ARG A 49 -5.844 3.940 -16.523 1.00 0.00 O ATOM 774 CB ARG A 49 -6.968 4.450 -13.421 1.00 0.00 C ATOM 775 CG ARG A 49 -8.431 4.515 -12.970 1.00 0.00 C ATOM 776 CD ARG A 49 -8.850 5.977 -12.793 1.00 0.00 C ATOM 777 NE ARG A 49 -7.911 6.681 -11.923 1.00 0.00 N ATOM 778 CZ ARG A 49 -7.289 7.781 -12.338 1.00 0.00 C ATOM 779 NH1 ARG A 49 -7.913 8.927 -12.324 1.00 0.00 N ATOM 780 NH2 ARG A 49 -6.054 7.714 -12.755 1.00 0.00 N ATOM 0 H ARG A 49 -6.491 2.135 -12.677 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.700 3.161 -14.986 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.317 4.311 -12.558 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.679 5.391 -13.890 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.071 4.030 -13.707 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.557 3.974 -12.032 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.892 6.469 -13.765 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.853 6.024 -12.368 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.730 6.324 -10.985 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.877 8.979 -11.995 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.437 9.771 -12.642 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.566 6.818 -12.763 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.577 8.557 -13.073 1.00 0.00 H new ATOM 794 N ALA A 50 -4.415 3.558 -14.826 1.00 0.00 N ATOM 795 CA ALA A 50 -3.229 3.854 -15.629 1.00 0.00 C ATOM 796 C ALA A 50 -3.130 2.908 -16.825 1.00 0.00 C ATOM 797 O ALA A 50 -2.559 3.257 -17.859 1.00 0.00 O ATOM 798 CB ALA A 50 -1.963 3.715 -14.781 1.00 0.00 C ATOM 0 H ALA A 50 -4.221 3.302 -13.858 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.320 4.879 -15.989 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.089 3.938 -15.393 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.008 4.412 -13.944 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.889 2.696 -14.402 1.00 0.00 H new ATOM 804 N GLY A 51 -3.685 1.708 -16.675 1.00 0.00 N ATOM 805 CA GLY A 51 -3.645 0.722 -17.749 1.00 0.00 C ATOM 806 C GLY A 51 -2.414 -0.166 -17.609 1.00 0.00 C ATOM 807 O GLY A 51 -1.816 -0.588 -18.599 1.00 0.00 O ATOM 0 H GLY A 51 -4.163 1.398 -15.829 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.547 0.111 -17.724 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.629 1.227 -18.715 1.00 0.00 H new ATOM 811 N PHE A 52 -2.044 -0.439 -16.363 1.00 0.00 N ATOM 812 CA PHE A 52 -0.880 -1.273 -16.082 1.00 0.00 C ATOM 813 C PHE A 52 -1.310 -2.713 -15.817 1.00 0.00 C ATOM 814 O PHE A 52 -0.585 -3.659 -16.123 1.00 0.00 O ATOM 815 CB PHE A 52 -0.134 -0.744 -14.851 1.00 0.00 C ATOM 816 CG PHE A 52 0.796 0.388 -15.241 1.00 0.00 C ATOM 817 CD1 PHE A 52 0.349 1.429 -16.071 1.00 0.00 C ATOM 818 CD2 PHE A 52 2.112 0.396 -14.763 1.00 0.00 C ATOM 819 CE1 PHE A 52 1.219 2.470 -16.419 1.00 0.00 C ATOM 820 CE2 PHE A 52 2.980 1.437 -15.112 1.00 0.00 C ATOM 821 CZ PHE A 52 2.534 2.474 -15.940 1.00 0.00 C ATOM 0 H PHE A 52 -2.530 -0.097 -15.534 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.223 -1.243 -16.951 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.850 -0.395 -14.107 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.437 -1.550 -14.390 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.666 1.427 -16.441 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.458 -0.403 -14.124 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.875 3.270 -17.057 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.995 1.440 -14.742 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.204 3.277 -16.209 1.00 0.00 H new ATOM 831 N ILE A 53 -2.500 -2.866 -15.241 1.00 0.00 N ATOM 832 CA ILE A 53 -3.023 -4.193 -14.934 1.00 0.00 C ATOM 833 C ILE A 53 -4.508 -4.271 -15.299 1.00 0.00 C ATOM 834 O ILE A 53 -5.223 -3.270 -15.253 1.00 0.00 O ATOM 835 CB ILE A 53 -2.824 -4.505 -13.442 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.286 -5.933 -13.144 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.624 -3.519 -12.583 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.764 -6.360 -11.769 1.00 0.00 C ATOM 0 H ILE A 53 -3.115 -2.095 -14.980 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.480 -4.932 -15.522 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.765 -4.408 -13.203 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.374 -5.987 -13.165 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.919 -6.614 -13.912 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.475 -3.751 -11.528 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.284 -2.503 -12.783 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.683 -3.601 -12.826 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.092 -7.377 -11.555 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.675 -6.322 -11.765 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.153 -5.685 -11.006 1.00 0.00 H new ATOM 850 N ASP A 54 -4.962 -5.465 -15.670 1.00 0.00 N ATOM 851 CA ASP A 54 -6.362 -5.649 -16.046 1.00 0.00 C ATOM 852 C ASP A 54 -7.197 -6.098 -14.850 1.00 0.00 C ATOM 853 O ASP A 54 -6.688 -6.703 -13.906 1.00 0.00 O ATOM 854 CB ASP A 54 -6.493 -6.686 -17.167 1.00 0.00 C ATOM 855 CG ASP A 54 -5.765 -7.972 -16.781 1.00 0.00 C ATOM 856 OD1 ASP A 54 -5.658 -8.243 -15.596 1.00 0.00 O ATOM 857 OD2 ASP A 54 -5.328 -8.670 -17.681 1.00 0.00 O ATOM 0 H ASP A 54 -4.391 -6.309 -15.718 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.733 -4.687 -16.399 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.545 -6.898 -17.356 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.077 -6.287 -18.092 1.00 0.00 H new ATOM 862 N ALA A 55 -8.492 -5.793 -14.911 1.00 0.00 N ATOM 863 CA ALA A 55 -9.424 -6.154 -13.839 1.00 0.00 C ATOM 864 C ALA A 55 -9.365 -7.649 -13.508 1.00 0.00 C ATOM 865 O ALA A 55 -9.759 -8.064 -12.418 1.00 0.00 O ATOM 866 CB ALA A 55 -10.856 -5.800 -14.244 1.00 0.00 C ATOM 0 H ALA A 55 -8.922 -5.296 -15.691 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.127 -5.590 -12.955 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.539 -6.073 -13.440 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.927 -4.729 -14.433 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.124 -6.346 -15.149 1.00 0.00 H new ATOM 872 N SER A 56 -8.881 -8.457 -14.454 1.00 0.00 N ATOM 873 CA SER A 56 -8.797 -9.902 -14.234 1.00 0.00 C ATOM 874 C SER A 56 -7.451 -10.313 -13.627 1.00 0.00 C ATOM 875 O SER A 56 -7.048 -11.471 -13.726 1.00 0.00 O ATOM 876 CB SER A 56 -8.989 -10.648 -15.554 1.00 0.00 C ATOM 877 OG SER A 56 -8.211 -10.023 -16.564 1.00 0.00 O ATOM 0 H SER A 56 -8.547 -8.142 -15.365 1.00 0.00 H new ATOM 0 HA SER A 56 -9.588 -10.164 -13.531 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.691 -11.691 -15.442 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.042 -10.646 -15.836 1.00 0.00 H new ATOM 0 HG SER A 56 -8.331 -10.500 -17.411 1.00 0.00 H new ATOM 883 N GLY A 57 -6.762 -9.364 -12.992 1.00 0.00 N ATOM 884 CA GLY A 57 -5.472 -9.659 -12.368 1.00 0.00 C ATOM 885 C GLY A 57 -4.480 -10.226 -13.380 1.00 0.00 C ATOM 886 O GLY A 57 -4.425 -11.434 -13.610 1.00 0.00 O ATOM 0 H GLY A 57 -7.071 -8.396 -12.897 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.064 -8.750 -11.926 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.614 -10.372 -11.556 1.00 0.00 H new ATOM 890 N GLU A 58 -3.691 -9.338 -13.975 1.00 0.00 N ATOM 891 CA GLU A 58 -2.692 -9.751 -14.956 1.00 0.00 C ATOM 892 C GLU A 58 -1.617 -8.678 -15.087 1.00 0.00 C ATOM 893 O GLU A 58 -1.858 -7.599 -15.629 1.00 0.00 O ATOM 894 CB GLU A 58 -3.340 -9.981 -16.324 1.00 0.00 C ATOM 895 CG GLU A 58 -2.626 -11.127 -17.044 1.00 0.00 C ATOM 896 CD GLU A 58 -3.101 -12.460 -16.476 1.00 0.00 C ATOM 897 OE1 GLU A 58 -4.275 -12.757 -16.620 1.00 0.00 O ATOM 898 OE2 GLU A 58 -2.284 -13.163 -15.906 1.00 0.00 O ATOM 0 H GLU A 58 -3.722 -8.334 -13.797 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.243 -10.683 -14.613 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.397 -10.217 -16.202 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.284 -9.071 -16.922 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.831 -11.082 -18.114 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.547 -11.031 -16.922 1.00 0.00 H new ATOM 905 N PHE A 59 -0.426 -8.982 -14.577 1.00 0.00 N ATOM 906 CA PHE A 59 0.677 -8.027 -14.638 1.00 0.00 C ATOM 907 C PHE A 59 1.159 -7.847 -16.073 1.00 0.00 C ATOM 908 O PHE A 59 1.333 -8.812 -16.816 1.00 0.00 O ATOM 909 CB PHE A 59 1.856 -8.482 -13.767 1.00 0.00 C ATOM 910 CG PHE A 59 2.193 -9.928 -14.051 1.00 0.00 C ATOM 911 CD1 PHE A 59 2.963 -10.263 -15.172 1.00 0.00 C ATOM 912 CD2 PHE A 59 1.738 -10.934 -13.190 1.00 0.00 C ATOM 913 CE1 PHE A 59 3.277 -11.603 -15.430 1.00 0.00 C ATOM 914 CE2 PHE A 59 2.054 -12.273 -13.448 1.00 0.00 C ATOM 915 CZ PHE A 59 2.823 -12.608 -14.569 1.00 0.00 C ATOM 0 H PHE A 59 -0.202 -9.868 -14.124 1.00 0.00 H new ATOM 0 HA PHE A 59 0.301 -7.077 -14.259 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.725 -7.854 -13.963 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.606 -8.360 -12.713 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.314 -9.488 -15.837 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.143 -10.677 -12.326 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.870 -11.861 -16.295 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.704 -13.048 -12.782 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.066 -13.641 -14.769 1.00 0.00 H new ATOM 925 N GLN A 60 1.378 -6.591 -16.445 1.00 0.00 N ATOM 926 CA GLN A 60 1.852 -6.268 -17.788 1.00 0.00 C ATOM 927 C GLN A 60 3.158 -5.492 -17.693 1.00 0.00 C ATOM 928 O GLN A 60 3.168 -4.263 -17.717 1.00 0.00 O ATOM 929 CB GLN A 60 0.817 -5.422 -18.533 1.00 0.00 C ATOM 930 CG GLN A 60 -0.277 -6.330 -19.100 1.00 0.00 C ATOM 931 CD GLN A 60 0.316 -7.238 -20.172 1.00 0.00 C ATOM 932 OE1 GLN A 60 1.130 -6.800 -20.985 1.00 0.00 O ATOM 933 NE2 GLN A 60 -0.047 -8.490 -20.221 1.00 0.00 N ATOM 0 H GLN A 60 1.236 -5.782 -15.840 1.00 0.00 H new ATOM 0 HA GLN A 60 2.010 -7.197 -18.335 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.379 -4.687 -17.858 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.298 -4.868 -19.339 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.715 -6.930 -18.302 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.081 -5.727 -19.523 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.721 -8.852 -19.547 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.344 -9.107 -20.933 1.00 0.00 H new ATOM 942 N LEU A 61 4.260 -6.225 -17.570 1.00 0.00 N ATOM 943 CA LEU A 61 5.574 -5.599 -17.451 1.00 0.00 C ATOM 944 C LEU A 61 6.024 -5.005 -18.781 1.00 0.00 C ATOM 945 O LEU A 61 6.790 -4.042 -18.814 1.00 0.00 O ATOM 946 CB LEU A 61 6.605 -6.622 -16.979 1.00 0.00 C ATOM 947 CG LEU A 61 6.152 -7.528 -15.830 1.00 0.00 C ATOM 948 CD1 LEU A 61 7.329 -8.385 -15.362 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.656 -6.666 -14.666 1.00 0.00 C ATOM 0 H LEU A 61 4.271 -7.245 -17.550 1.00 0.00 H new ATOM 0 HA LEU A 61 5.494 -4.795 -16.720 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.884 -7.249 -17.826 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.504 -6.090 -16.667 1.00 0.00 H new ATOM 0 HG LEU A 61 5.345 -8.175 -16.174 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.007 -9.030 -14.544 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.684 -8.999 -16.190 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.136 -7.738 -15.018 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.333 -7.310 -13.848 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.463 -6.020 -14.322 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.817 -6.054 -14.998 1.00 0.00 H new ATOM 961 N ASP A 62 5.541 -5.580 -19.878 1.00 0.00 N ATOM 962 CA ASP A 62 5.907 -5.080 -21.200 1.00 0.00 C ATOM 963 C ASP A 62 5.440 -3.635 -21.366 1.00 0.00 C ATOM 964 O ASP A 62 6.057 -2.848 -22.084 1.00 0.00 O ATOM 965 CB ASP A 62 5.276 -5.941 -22.296 1.00 0.00 C ATOM 966 CG ASP A 62 5.992 -7.285 -22.367 1.00 0.00 C ATOM 967 OD1 ASP A 62 5.768 -8.101 -21.488 1.00 0.00 O ATOM 968 OD2 ASP A 62 6.755 -7.479 -23.298 1.00 0.00 O ATOM 0 H ASP A 62 4.906 -6.379 -19.881 1.00 0.00 H new ATOM 0 HA ASP A 62 6.992 -5.126 -21.290 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.217 -6.093 -22.089 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.343 -5.431 -23.257 1.00 0.00 H new ATOM 973 N HIS A 63 4.345 -3.296 -20.687 1.00 0.00 N ATOM 974 CA HIS A 63 3.806 -1.942 -20.759 1.00 0.00 C ATOM 975 C HIS A 63 4.490 -1.047 -19.729 1.00 0.00 C ATOM 976 O HIS A 63 4.688 0.146 -19.957 1.00 0.00 O ATOM 977 CB HIS A 63 2.300 -1.949 -20.493 1.00 0.00 C ATOM 978 CG HIS A 63 1.562 -2.150 -21.788 1.00 0.00 C ATOM 979 ND1 HIS A 63 0.393 -2.892 -21.866 1.00 0.00 N ATOM 980 CD2 HIS A 63 1.814 -1.713 -23.064 1.00 0.00 C ATOM 981 CE1 HIS A 63 -0.010 -2.879 -23.149 1.00 0.00 C ATOM 982 NE2 HIS A 63 0.820 -2.174 -23.922 1.00 0.00 N ATOM 0 H HIS A 63 3.820 -3.933 -20.088 1.00 0.00 H new ATOM 0 HA HIS A 63 3.993 -1.556 -21.761 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.048 -2.744 -19.791 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.997 -1.009 -20.032 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.656 -1.104 -23.358 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.897 -3.378 -23.510 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.742 -2.009 -24.926 1.00 0.00 H new ATOM 990 N ILE A 64 4.851 -1.640 -18.592 1.00 0.00 N ATOM 991 CA ILE A 64 5.518 -0.889 -17.532 1.00 0.00 C ATOM 992 C ILE A 64 6.915 -0.470 -17.983 1.00 0.00 C ATOM 993 O ILE A 64 7.248 0.716 -17.992 1.00 0.00 O ATOM 994 CB ILE A 64 5.622 -1.741 -16.257 1.00 0.00 C ATOM 995 CG1 ILE A 64 4.217 -2.175 -15.832 1.00 0.00 C ATOM 996 CG2 ILE A 64 6.265 -0.927 -15.124 1.00 0.00 C ATOM 997 CD1 ILE A 64 4.292 -3.465 -15.009 1.00 0.00 C ATOM 0 H ILE A 64 4.695 -2.626 -18.383 1.00 0.00 H new ATOM 0 HA ILE A 64 4.928 0.002 -17.317 1.00 0.00 H new ATOM 0 HB ILE A 64 6.241 -2.615 -16.460 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.746 -1.386 -15.245 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.594 -2.332 -16.713 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.333 -1.542 -14.227 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.264 -0.612 -15.424 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.655 -0.048 -14.916 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.287 -3.766 -14.711 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.744 -4.254 -15.610 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.898 -3.294 -14.119 1.00 0.00 H new ATOM 1009 N LYS A 65 7.731 -1.456 -18.351 1.00 0.00 N ATOM 1010 CA LYS A 65 9.100 -1.181 -18.795 1.00 0.00 C ATOM 1011 C LYS A 65 9.120 -0.133 -19.915 1.00 0.00 C ATOM 1012 O LYS A 65 9.905 0.816 -19.878 1.00 0.00 O ATOM 1013 CB LYS A 65 9.786 -2.472 -19.271 1.00 0.00 C ATOM 1014 CG LYS A 65 9.076 -3.043 -20.505 1.00 0.00 C ATOM 1015 CD LYS A 65 9.455 -4.520 -20.686 1.00 0.00 C ATOM 1016 CE LYS A 65 10.967 -4.653 -20.894 1.00 0.00 C ATOM 1017 NZ LYS A 65 11.285 -5.689 -21.918 1.00 0.00 N ATOM 0 H LYS A 65 7.474 -2.443 -18.352 1.00 0.00 H new ATOM 0 HA LYS A 65 9.650 -0.783 -17.942 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.830 -2.268 -19.508 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.780 -3.210 -18.469 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.996 -2.946 -20.392 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.356 -2.475 -21.392 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.149 -5.092 -19.810 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.924 -4.938 -21.541 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.379 -3.693 -21.205 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.444 -4.914 -19.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.316 -5.755 -22.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.912 -6.609 -21.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.849 -5.426 -22.825 1.00 0.00 H new ATOM 1031 N THR A 66 8.246 -0.311 -20.902 1.00 0.00 N ATOM 1032 CA THR A 66 8.166 0.627 -22.018 1.00 0.00 C ATOM 1033 C THR A 66 7.777 2.019 -21.530 1.00 0.00 C ATOM 1034 O THR A 66 8.299 3.028 -22.005 1.00 0.00 O ATOM 1035 CB THR A 66 7.132 0.151 -23.043 1.00 0.00 C ATOM 1036 OG1 THR A 66 7.395 -1.202 -23.385 1.00 0.00 O ATOM 1037 CG2 THR A 66 7.214 1.022 -24.298 1.00 0.00 C ATOM 0 H THR A 66 7.588 -1.089 -20.952 1.00 0.00 H new ATOM 0 HA THR A 66 9.150 0.673 -22.485 1.00 0.00 H new ATOM 0 HB THR A 66 6.133 0.230 -22.614 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.663 -1.769 -23.064 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.478 0.682 -25.026 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.011 2.060 -24.034 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.212 0.946 -24.729 1.00 0.00 H new ATOM 1045 N LYS A 67 6.842 2.060 -20.583 1.00 0.00 N ATOM 1046 CA LYS A 67 6.368 3.331 -20.037 1.00 0.00 C ATOM 1047 C LYS A 67 7.494 4.081 -19.329 1.00 0.00 C ATOM 1048 O LYS A 67 7.649 5.291 -19.493 1.00 0.00 O ATOM 1049 CB LYS A 67 5.231 3.093 -19.044 1.00 0.00 C ATOM 1050 CG LYS A 67 3.914 2.914 -19.805 1.00 0.00 C ATOM 1051 CD LYS A 67 3.175 4.252 -19.873 1.00 0.00 C ATOM 1052 CE LYS A 67 2.085 4.179 -20.943 1.00 0.00 C ATOM 1053 NZ LYS A 67 0.932 5.060 -20.604 1.00 0.00 N ATOM 0 H LYS A 67 6.400 1.234 -20.180 1.00 0.00 H new ATOM 0 HA LYS A 67 6.010 3.933 -20.872 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.439 2.208 -18.443 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.154 3.935 -18.356 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.111 2.544 -20.811 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.293 2.169 -19.308 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.733 4.485 -18.904 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.875 5.055 -20.106 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.499 4.474 -21.907 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.741 3.150 -21.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.210 4.988 -21.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.523 4.762 -19.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.257 6.045 -20.531 1.00 0.00 H new ATOM 1067 N PHE A 68 8.272 3.354 -18.536 1.00 0.00 N ATOM 1068 CA PHE A 68 9.376 3.971 -17.807 1.00 0.00 C ATOM 1069 C PHE A 68 10.445 4.458 -18.782 1.00 0.00 C ATOM 1070 O PHE A 68 11.099 5.476 -18.552 1.00 0.00 O ATOM 1071 CB PHE A 68 9.997 2.964 -16.823 1.00 0.00 C ATOM 1072 CG PHE A 68 9.937 3.511 -15.414 1.00 0.00 C ATOM 1073 CD1 PHE A 68 10.782 4.560 -15.034 1.00 0.00 C ATOM 1074 CD2 PHE A 68 9.037 2.966 -14.490 1.00 0.00 C ATOM 1075 CE1 PHE A 68 10.727 5.066 -13.729 1.00 0.00 C ATOM 1076 CE2 PHE A 68 8.982 3.472 -13.186 1.00 0.00 C ATOM 1077 CZ PHE A 68 9.827 4.522 -12.805 1.00 0.00 C ATOM 0 H PHE A 68 8.163 2.352 -18.382 1.00 0.00 H new ATOM 0 HA PHE A 68 8.986 4.821 -17.248 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.463 2.015 -16.876 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.032 2.764 -17.100 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.476 4.979 -15.747 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.386 2.156 -14.783 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.379 5.876 -13.436 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.288 3.052 -12.473 1.00 0.00 H new ATOM 0 HZ PHE A 68 9.784 4.912 -11.799 1.00 0.00 H new ATOM 1087 N LYS A 69 10.615 3.716 -19.873 1.00 0.00 N ATOM 1088 CA LYS A 69 11.610 4.075 -20.881 1.00 0.00 C ATOM 1089 C LYS A 69 11.131 5.255 -21.721 1.00 0.00 C ATOM 1090 O LYS A 69 11.773 6.304 -21.766 1.00 0.00 O ATOM 1091 CB LYS A 69 11.889 2.885 -21.802 1.00 0.00 C ATOM 1092 CG LYS A 69 12.749 1.857 -21.062 1.00 0.00 C ATOM 1093 CD LYS A 69 14.225 2.090 -21.393 1.00 0.00 C ATOM 1094 CE LYS A 69 14.648 1.162 -22.534 1.00 0.00 C ATOM 1095 NZ LYS A 69 15.893 1.646 -23.195 1.00 0.00 N ATOM 0 H LYS A 69 10.083 2.871 -20.081 1.00 0.00 H new ATOM 0 HA LYS A 69 12.525 4.356 -20.360 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.951 2.429 -22.119 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.401 3.222 -22.704 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.589 1.940 -19.987 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.456 0.847 -21.350 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.384 3.130 -21.678 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.839 1.903 -20.512 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.807 0.156 -22.147 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.846 1.097 -23.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.153 0.996 -23.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.732 2.596 -23.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.664 1.684 -22.498 1.00 0.00 H new ATOM 1109 N GLU A 70 9.995 5.073 -22.396 1.00 0.00 N ATOM 1110 CA GLU A 70 9.433 6.130 -23.247 1.00 0.00 C ATOM 1111 C GLU A 70 9.310 7.452 -22.486 1.00 0.00 C ATOM 1112 O GLU A 70 8.802 7.497 -21.366 1.00 0.00 O ATOM 1113 CB GLU A 70 8.049 5.720 -23.766 1.00 0.00 C ATOM 1114 CG GLU A 70 7.117 5.431 -22.586 1.00 0.00 C ATOM 1115 CD GLU A 70 6.285 6.672 -22.276 1.00 0.00 C ATOM 1116 OE1 GLU A 70 5.629 7.163 -23.182 1.00 0.00 O ATOM 1117 OE2 GLU A 70 6.313 7.112 -21.140 1.00 0.00 O ATOM 0 H GLU A 70 9.448 4.212 -22.373 1.00 0.00 H new ATOM 0 HA GLU A 70 10.115 6.270 -24.086 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.632 6.515 -24.384 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.135 4.836 -24.398 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.463 4.592 -22.823 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.700 5.143 -21.711 1.00 0.00 H new ATOM 1210 N LYS A 77 18.230 1.402 -16.049 1.00 0.00 N ATOM 1211 CA LYS A 77 17.986 -0.035 -16.131 1.00 0.00 C ATOM 1212 C LYS A 77 16.618 -0.383 -15.542 1.00 0.00 C ATOM 1213 O LYS A 77 16.493 -1.261 -14.687 1.00 0.00 O ATOM 1214 CB LYS A 77 19.075 -0.803 -15.375 1.00 0.00 C ATOM 1215 CG LYS A 77 20.360 -0.823 -16.206 1.00 0.00 C ATOM 1216 CD LYS A 77 21.319 -1.873 -15.643 1.00 0.00 C ATOM 1217 CE LYS A 77 22.762 -1.416 -15.859 1.00 0.00 C ATOM 1218 NZ LYS A 77 23.238 -0.568 -14.730 1.00 0.00 N ATOM 0 HA LYS A 77 18.005 -0.322 -17.182 1.00 0.00 H new ATOM 0 HB2 LYS A 77 19.262 -0.333 -14.409 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.743 -1.822 -15.175 1.00 0.00 H new ATOM 0 HG2 LYS A 77 20.128 -1.048 -17.247 1.00 0.00 H new ATOM 0 HG3 LYS A 77 20.831 0.160 -16.190 1.00 0.00 H new ATOM 0 HD2 LYS A 77 21.129 -2.021 -14.580 1.00 0.00 H new ATOM 0 HD3 LYS A 77 21.153 -2.832 -16.133 1.00 0.00 H new ATOM 0 HE2 LYS A 77 23.410 -2.287 -15.960 1.00 0.00 H new ATOM 0 HE3 LYS A 77 22.832 -0.856 -16.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 24.220 -0.274 -14.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 22.634 0.275 -14.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 23.193 -1.112 -13.845 1.00 0.00 H new ATOM 1232 N VAL A 78 15.589 0.318 -16.013 1.00 0.00 N ATOM 1233 CA VAL A 78 14.230 0.076 -15.531 1.00 0.00 C ATOM 1234 C VAL A 78 13.808 -1.362 -15.827 1.00 0.00 C ATOM 1235 O VAL A 78 13.245 -2.045 -14.972 1.00 0.00 O ATOM 1236 CB VAL A 78 13.240 1.043 -16.197 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.829 0.832 -15.628 1.00 0.00 C ATOM 1238 CG2 VAL A 78 13.685 2.485 -15.932 1.00 0.00 C ATOM 0 H VAL A 78 15.667 1.050 -16.719 1.00 0.00 H new ATOM 0 HA VAL A 78 14.220 0.241 -14.454 1.00 0.00 H new ATOM 0 HB VAL A 78 13.222 0.852 -17.270 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.136 1.523 -16.108 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.509 -0.193 -15.818 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.839 1.016 -14.554 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.985 3.174 -16.403 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.706 2.668 -14.858 1.00 0.00 H new ATOM 0 HG23 VAL A 78 14.681 2.640 -16.346 1.00 0.00 H new ATOM 1248 N ASP A 79 14.088 -1.814 -17.052 1.00 0.00 N ATOM 1249 CA ASP A 79 13.730 -3.177 -17.465 1.00 0.00 C ATOM 1250 C ASP A 79 14.212 -4.211 -16.446 1.00 0.00 C ATOM 1251 O ASP A 79 13.460 -5.099 -16.043 1.00 0.00 O ATOM 1252 CB ASP A 79 14.337 -3.504 -18.835 1.00 0.00 C ATOM 1253 CG ASP A 79 15.825 -3.166 -18.839 1.00 0.00 C ATOM 1254 OD1 ASP A 79 16.144 -1.989 -18.795 1.00 0.00 O ATOM 1255 OD2 ASP A 79 16.621 -4.088 -18.887 1.00 0.00 O ATOM 0 H ASP A 79 14.557 -1.263 -17.771 1.00 0.00 H new ATOM 0 HA ASP A 79 12.643 -3.221 -17.527 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.195 -4.560 -19.062 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.825 -2.939 -19.614 1.00 0.00 H new ATOM 1260 N ASP A 80 15.466 -4.080 -16.025 1.00 0.00 N ATOM 1261 CA ASP A 80 16.027 -5.003 -15.045 1.00 0.00 C ATOM 1262 C ASP A 80 15.337 -4.819 -13.700 1.00 0.00 C ATOM 1263 O ASP A 80 15.071 -5.783 -12.981 1.00 0.00 O ATOM 1264 CB ASP A 80 17.528 -4.759 -14.873 1.00 0.00 C ATOM 1265 CG ASP A 80 18.296 -5.546 -15.929 1.00 0.00 C ATOM 1266 OD1 ASP A 80 17.951 -5.430 -17.094 1.00 0.00 O ATOM 1267 OD2 ASP A 80 19.221 -6.251 -15.559 1.00 0.00 O ATOM 0 H ASP A 80 16.107 -3.353 -16.343 1.00 0.00 H new ATOM 0 HA ASP A 80 15.868 -6.019 -15.405 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.747 -3.695 -14.966 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.845 -5.064 -13.875 1.00 0.00 H new ATOM 1272 N LEU A 81 15.049 -3.563 -13.369 1.00 0.00 N ATOM 1273 CA LEU A 81 14.389 -3.244 -12.107 1.00 0.00 C ATOM 1274 C LEU A 81 12.977 -3.826 -12.077 1.00 0.00 C ATOM 1275 O LEU A 81 12.486 -4.239 -11.028 1.00 0.00 O ATOM 1276 CB LEU A 81 14.314 -1.724 -11.916 1.00 0.00 C ATOM 1277 CG LEU A 81 15.443 -1.110 -11.085 1.00 0.00 C ATOM 1278 CD1 LEU A 81 16.789 -1.407 -11.747 1.00 0.00 C ATOM 1279 CD2 LEU A 81 15.244 0.406 -10.997 1.00 0.00 C ATOM 0 H LEU A 81 15.261 -2.754 -13.953 1.00 0.00 H new ATOM 0 HA LEU A 81 14.974 -3.683 -11.299 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.310 -1.251 -12.898 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.363 -1.481 -11.442 1.00 0.00 H new ATOM 0 HG LEU A 81 15.429 -1.540 -10.084 1.00 0.00 H new ATOM 0 HD11 LEU A 81 17.591 -0.969 -11.153 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.933 -2.486 -11.811 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.804 -0.979 -12.749 1.00 0.00 H new ATOM 0 HD21 LEU A 81 16.047 0.845 -10.405 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.257 0.833 -12.000 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.286 0.620 -10.523 1.00 0.00 H new ATOM 1291 N VAL A 82 12.329 -3.851 -13.239 1.00 0.00 N ATOM 1292 CA VAL A 82 10.967 -4.380 -13.332 1.00 0.00 C ATOM 1293 C VAL A 82 10.912 -5.836 -12.872 1.00 0.00 C ATOM 1294 O VAL A 82 9.881 -6.310 -12.395 1.00 0.00 O ATOM 1295 CB VAL A 82 10.452 -4.286 -14.773 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.969 -4.665 -14.815 1.00 0.00 C ATOM 1297 CG2 VAL A 82 10.632 -2.853 -15.296 1.00 0.00 C ATOM 0 H VAL A 82 12.717 -3.516 -14.121 1.00 0.00 H new ATOM 0 HA VAL A 82 10.334 -3.779 -12.680 1.00 0.00 H new ATOM 0 HB VAL A 82 11.019 -4.972 -15.402 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.605 -4.597 -15.840 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.844 -5.685 -14.452 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.401 -3.983 -14.183 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.265 -2.791 -16.320 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.070 -2.163 -14.667 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.689 -2.587 -15.273 1.00 0.00 H new ATOM 1307 N ALA A 83 12.027 -6.545 -13.022 1.00 0.00 N ATOM 1308 CA ALA A 83 12.084 -7.947 -12.619 1.00 0.00 C ATOM 1309 C ALA A 83 11.812 -8.094 -11.122 1.00 0.00 C ATOM 1310 O ALA A 83 10.797 -8.659 -10.714 1.00 0.00 O ATOM 1311 CB ALA A 83 13.460 -8.539 -12.939 1.00 0.00 C ATOM 0 H ALA A 83 12.894 -6.178 -13.415 1.00 0.00 H new ATOM 0 HA ALA A 83 11.317 -8.485 -13.176 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.486 -9.585 -12.633 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.645 -8.470 -14.011 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.229 -7.984 -12.402 1.00 0.00 H new ATOM 1317 N LYS A 84 12.739 -7.588 -10.311 1.00 0.00 N ATOM 1318 CA LYS A 84 12.606 -7.675 -8.856 1.00 0.00 C ATOM 1319 C LYS A 84 11.532 -6.724 -8.319 1.00 0.00 C ATOM 1320 O LYS A 84 11.049 -6.896 -7.199 1.00 0.00 O ATOM 1321 CB LYS A 84 13.938 -7.339 -8.184 1.00 0.00 C ATOM 1322 CG LYS A 84 13.924 -7.846 -6.739 1.00 0.00 C ATOM 1323 CD LYS A 84 15.297 -7.619 -6.103 1.00 0.00 C ATOM 1324 CE LYS A 84 15.134 -7.426 -4.595 1.00 0.00 C ATOM 1325 NZ LYS A 84 16.449 -7.481 -3.894 1.00 0.00 N ATOM 0 H LYS A 84 13.585 -7.117 -10.632 1.00 0.00 H new ATOM 0 HA LYS A 84 12.310 -8.698 -8.624 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.760 -7.797 -8.733 1.00 0.00 H new ATOM 0 HB3 LYS A 84 14.104 -6.262 -8.201 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.156 -7.325 -6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.673 -8.906 -6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.948 -8.470 -6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.773 -6.743 -6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.655 -6.466 -4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.475 -8.198 -4.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.304 -7.347 -2.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.893 -8.406 -4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.068 -6.729 -4.258 1.00 0.00 H new ATOM 1339 N CYS A 85 11.165 -5.718 -9.111 1.00 0.00 N ATOM 1340 CA CYS A 85 10.152 -4.757 -8.673 1.00 0.00 C ATOM 1341 C CYS A 85 8.754 -5.241 -9.042 1.00 0.00 C ATOM 1342 O CYS A 85 7.880 -5.369 -8.184 1.00 0.00 O ATOM 1343 CB CYS A 85 10.386 -3.391 -9.319 1.00 0.00 C ATOM 1344 SG CYS A 85 11.901 -2.654 -8.650 1.00 0.00 S ATOM 0 H CYS A 85 11.545 -5.548 -10.042 1.00 0.00 H new ATOM 0 HA CYS A 85 10.232 -4.666 -7.590 1.00 0.00 H new ATOM 0 HB2 CYS A 85 10.469 -3.498 -10.401 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.536 -2.736 -9.128 1.00 0.00 H new ATOM 1349 N ALA A 86 8.550 -5.502 -10.329 1.00 0.00 N ATOM 1350 CA ALA A 86 7.249 -5.968 -10.814 1.00 0.00 C ATOM 1351 C ALA A 86 7.117 -7.496 -10.720 1.00 0.00 C ATOM 1352 O ALA A 86 6.558 -8.134 -11.612 1.00 0.00 O ATOM 1353 CB ALA A 86 7.046 -5.535 -12.268 1.00 0.00 C ATOM 0 H ALA A 86 9.261 -5.401 -11.053 1.00 0.00 H new ATOM 0 HA ALA A 86 6.485 -5.520 -10.178 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.076 -5.886 -12.620 1.00 0.00 H new ATOM 0 HB2 ALA A 86 7.084 -4.448 -12.332 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.834 -5.963 -12.888 1.00 0.00 H new ATOM 1359 N VAL A 87 7.622 -8.077 -9.632 1.00 0.00 N ATOM 1360 CA VAL A 87 7.539 -9.524 -9.446 1.00 0.00 C ATOM 1361 C VAL A 87 6.075 -9.972 -9.410 1.00 0.00 C ATOM 1362 O VAL A 87 5.252 -9.414 -8.684 1.00 0.00 O ATOM 1363 CB VAL A 87 8.253 -9.929 -8.142 1.00 0.00 C ATOM 1364 CG1 VAL A 87 7.637 -9.182 -6.958 1.00 0.00 C ATOM 1365 CG2 VAL A 87 8.130 -11.442 -7.914 1.00 0.00 C ATOM 0 H VAL A 87 8.087 -7.575 -8.875 1.00 0.00 H new ATOM 0 HA VAL A 87 8.031 -10.015 -10.285 1.00 0.00 H new ATOM 0 HB VAL A 87 9.308 -9.668 -8.227 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.146 -9.473 -6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.746 -8.108 -7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 87 6.579 -9.432 -6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.639 -11.713 -6.989 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.077 -11.715 -7.842 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.586 -11.974 -8.749 1.00 0.00 H new ATOM 1375 N LYS A 88 5.762 -10.990 -10.210 1.00 0.00 N ATOM 1376 CA LYS A 88 4.397 -11.512 -10.268 1.00 0.00 C ATOM 1377 C LYS A 88 4.031 -12.195 -8.953 1.00 0.00 C ATOM 1378 O LYS A 88 4.574 -13.245 -8.610 1.00 0.00 O ATOM 1379 CB LYS A 88 4.245 -12.519 -11.415 1.00 0.00 C ATOM 1380 CG LYS A 88 5.379 -13.553 -11.364 1.00 0.00 C ATOM 1381 CD LYS A 88 4.809 -14.959 -11.570 1.00 0.00 C ATOM 1382 CE LYS A 88 5.874 -16.000 -11.219 1.00 0.00 C ATOM 1383 NZ LYS A 88 5.273 -17.351 -11.025 1.00 0.00 N ATOM 0 H LYS A 88 6.426 -11.466 -10.821 1.00 0.00 H new ATOM 0 HA LYS A 88 3.727 -10.670 -10.441 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.281 -13.022 -11.342 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.261 -11.997 -12.372 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.118 -13.334 -12.135 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.893 -13.496 -10.404 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.928 -15.100 -10.945 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.489 -15.085 -12.604 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.619 -16.042 -12.014 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.394 -15.698 -10.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.021 -18.033 -10.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.580 -17.315 -10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.798 -17.649 -11.901 1.00 0.00 H new ATOM 1397 N LYS A 89 3.106 -11.585 -8.216 1.00 0.00 N ATOM 1398 CA LYS A 89 2.677 -12.142 -6.937 1.00 0.00 C ATOM 1399 C LYS A 89 1.384 -12.935 -7.103 1.00 0.00 C ATOM 1400 O LYS A 89 0.833 -13.034 -8.199 1.00 0.00 O ATOM 1401 CB LYS A 89 2.460 -11.028 -5.913 1.00 0.00 C ATOM 1402 CG LYS A 89 3.780 -10.292 -5.671 1.00 0.00 C ATOM 1403 CD LYS A 89 4.712 -11.176 -4.838 1.00 0.00 C ATOM 1404 CE LYS A 89 6.102 -10.538 -4.761 1.00 0.00 C ATOM 1405 NZ LYS A 89 6.712 -10.728 -3.414 1.00 0.00 N ATOM 0 H LYS A 89 2.644 -10.715 -8.479 1.00 0.00 H new ATOM 0 HA LYS A 89 3.462 -12.809 -6.581 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.704 -10.331 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.088 -11.447 -4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.250 -10.044 -6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.594 -9.351 -5.153 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.305 -11.305 -3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.782 -12.168 -5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.749 -10.977 -5.521 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.028 -9.473 -4.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.653 -10.285 -3.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.106 -10.287 -2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.804 -11.745 -3.215 1.00 0.00 H new ATOM 1419 N ASP A 90 0.911 -13.508 -5.997 1.00 0.00 N ATOM 1420 CA ASP A 90 -0.313 -14.306 -6.023 1.00 0.00 C ATOM 1421 C ASP A 90 -1.539 -13.442 -6.315 1.00 0.00 C ATOM 1422 O ASP A 90 -2.323 -13.746 -7.214 1.00 0.00 O ATOM 1423 CB ASP A 90 -0.522 -15.049 -4.692 1.00 0.00 C ATOM 1424 CG ASP A 90 -0.305 -14.119 -3.491 1.00 0.00 C ATOM 1425 OD1 ASP A 90 -0.027 -12.947 -3.693 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -0.423 -14.601 -2.376 1.00 0.00 O ATOM 0 H ASP A 90 1.352 -13.436 -5.080 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.196 -15.035 -6.825 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.531 -15.460 -4.658 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.168 -15.891 -4.631 1.00 0.00 H new ATOM 1431 N THR A 91 -1.706 -12.366 -5.550 1.00 0.00 N ATOM 1432 CA THR A 91 -2.851 -11.483 -5.746 1.00 0.00 C ATOM 1433 C THR A 91 -2.486 -10.334 -6.687 1.00 0.00 C ATOM 1434 O THR A 91 -1.344 -9.873 -6.699 1.00 0.00 O ATOM 1435 CB THR A 91 -3.320 -10.906 -4.406 1.00 0.00 C ATOM 1436 OG1 THR A 91 -2.225 -10.865 -3.501 1.00 0.00 O ATOM 1437 CG2 THR A 91 -4.427 -11.788 -3.827 1.00 0.00 C ATOM 0 H THR A 91 -1.073 -12.088 -4.800 1.00 0.00 H new ATOM 0 HA THR A 91 -3.656 -12.070 -6.188 1.00 0.00 H new ATOM 0 HB THR A 91 -3.705 -9.898 -4.560 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.523 -10.495 -2.644 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.759 -11.376 -2.874 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.267 -11.820 -4.521 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.045 -12.797 -3.673 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.450 -9.855 -7.485 1.00 0.00 N ATOM 1446 CA PRO A 92 -3.210 -8.751 -8.424 1.00 0.00 C ATOM 1447 C PRO A 92 -3.029 -7.419 -7.703 1.00 0.00 C ATOM 1448 O PRO A 92 -2.080 -6.681 -7.963 1.00 0.00 O ATOM 1449 CB PRO A 92 -4.462 -8.728 -9.296 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.528 -9.347 -8.461 1.00 0.00 C ATOM 1451 CD PRO A 92 -4.845 -10.329 -7.552 1.00 0.00 C ATOM 0 HA PRO A 92 -2.294 -8.896 -8.996 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.726 -7.709 -9.580 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.310 -9.287 -10.219 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.058 -8.589 -7.884 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.268 -9.847 -9.086 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.307 -10.345 -6.565 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.902 -11.343 -7.947 1.00 0.00 H new ATOM 1459 N GLN A 93 -3.946 -7.127 -6.783 1.00 0.00 N ATOM 1460 CA GLN A 93 -3.872 -5.884 -6.018 1.00 0.00 C ATOM 1461 C GLN A 93 -2.554 -5.797 -5.242 1.00 0.00 C ATOM 1462 O GLN A 93 -2.121 -4.712 -4.858 1.00 0.00 O ATOM 1463 CB GLN A 93 -5.051 -5.773 -5.043 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.029 -6.943 -4.055 1.00 0.00 C ATOM 1465 CD GLN A 93 -6.450 -7.447 -3.820 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -6.845 -8.482 -4.355 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -7.249 -6.769 -3.042 1.00 0.00 N ATOM 0 H GLN A 93 -4.739 -7.725 -6.551 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.919 -5.057 -6.727 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -4.997 -4.829 -4.501 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.991 -5.771 -5.595 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.407 -7.749 -4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.585 -6.626 -3.111 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.922 -5.911 -2.598 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.201 -7.097 -2.878 1.00 0.00 H new ATOM 1476 N HIS A 94 -1.913 -6.946 -5.024 1.00 0.00 N ATOM 1477 CA HIS A 94 -0.642 -6.966 -4.310 1.00 0.00 C ATOM 1478 C HIS A 94 0.462 -6.447 -5.223 1.00 0.00 C ATOM 1479 O HIS A 94 1.145 -5.472 -4.910 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.298 -8.389 -3.862 1.00 0.00 C ATOM 1481 CG HIS A 94 0.716 -8.335 -2.753 1.00 0.00 C ATOM 1482 ND1 HIS A 94 0.407 -8.695 -1.451 1.00 0.00 N ATOM 1483 CD2 HIS A 94 2.039 -7.967 -2.737 1.00 0.00 C ATOM 1484 CE1 HIS A 94 1.520 -8.537 -0.711 1.00 0.00 C ATOM 1485 NE2 HIS A 94 2.544 -8.094 -1.446 1.00 0.00 N ATOM 0 H HIS A 94 -2.249 -7.860 -5.327 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.728 -6.330 -3.429 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.198 -8.902 -3.522 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.096 -8.961 -4.702 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.602 -7.630 -3.595 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.578 -8.743 0.348 1.00 0.00 H new ATOM 0 HE2 HIS A 94 3.492 -7.892 -1.129 1.00 0.00 H new ATOM 1493 N SER A 95 0.619 -7.111 -6.369 1.00 0.00 N ATOM 1494 CA SER A 95 1.630 -6.721 -7.357 1.00 0.00 C ATOM 1495 C SER A 95 1.558 -5.223 -7.675 1.00 0.00 C ATOM 1496 O SER A 95 2.550 -4.614 -8.077 1.00 0.00 O ATOM 1497 CB SER A 95 1.439 -7.508 -8.652 1.00 0.00 C ATOM 1498 OG SER A 95 0.301 -7.009 -9.342 1.00 0.00 O ATOM 0 H SER A 95 0.060 -7.921 -6.637 1.00 0.00 H new ATOM 0 HA SER A 95 2.606 -6.943 -6.925 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.326 -7.420 -9.279 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.309 -8.567 -8.431 1.00 0.00 H new ATOM 0 HG SER A 95 -0.457 -6.952 -8.724 1.00 0.00 H new ATOM 1504 N SER A 96 0.371 -4.638 -7.499 1.00 0.00 N ATOM 1505 CA SER A 96 0.181 -3.213 -7.781 1.00 0.00 C ATOM 1506 C SER A 96 1.162 -2.361 -6.977 1.00 0.00 C ATOM 1507 O SER A 96 1.926 -1.576 -7.540 1.00 0.00 O ATOM 1508 CB SER A 96 -1.252 -2.784 -7.449 1.00 0.00 C ATOM 1509 OG SER A 96 -1.399 -2.666 -6.041 1.00 0.00 O ATOM 0 H SER A 96 -0.463 -5.121 -7.167 1.00 0.00 H new ATOM 0 HA SER A 96 0.367 -3.059 -8.844 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.478 -1.832 -7.930 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.961 -3.514 -7.839 1.00 0.00 H new ATOM 0 HG SER A 96 -1.987 -3.378 -5.713 1.00 0.00 H new ATOM 1515 N ALA A 97 1.137 -2.525 -5.657 1.00 0.00 N ATOM 1516 CA ALA A 97 2.031 -1.764 -4.786 1.00 0.00 C ATOM 1517 C ALA A 97 3.488 -2.060 -5.129 1.00 0.00 C ATOM 1518 O ALA A 97 4.355 -1.194 -5.020 1.00 0.00 O ATOM 1519 CB ALA A 97 1.783 -2.121 -3.319 1.00 0.00 C ATOM 0 H ALA A 97 0.515 -3.170 -5.170 1.00 0.00 H new ATOM 0 HA ALA A 97 1.828 -0.704 -4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.457 -1.545 -2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.751 -1.888 -3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.964 -3.185 -3.168 1.00 0.00 H new ATOM 1525 N ASP A 98 3.746 -3.296 -5.551 1.00 0.00 N ATOM 1526 CA ASP A 98 5.102 -3.702 -5.914 1.00 0.00 C ATOM 1527 C ASP A 98 5.633 -2.841 -7.057 1.00 0.00 C ATOM 1528 O ASP A 98 6.834 -2.590 -7.156 1.00 0.00 O ATOM 1529 CB ASP A 98 5.128 -5.171 -6.340 1.00 0.00 C ATOM 1530 CG ASP A 98 5.384 -6.051 -5.121 1.00 0.00 C ATOM 1531 OD1 ASP A 98 4.697 -5.870 -4.130 1.00 0.00 O ATOM 1532 OD2 ASP A 98 6.264 -6.893 -5.197 1.00 0.00 O ATOM 0 H ASP A 98 3.042 -4.027 -5.649 1.00 0.00 H new ATOM 0 HA ASP A 98 5.736 -3.569 -5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.180 -5.442 -6.805 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.906 -5.330 -7.086 1.00 0.00 H new ATOM 1537 N PHE A 99 4.724 -2.389 -7.920 1.00 0.00 N ATOM 1538 CA PHE A 99 5.118 -1.552 -9.051 1.00 0.00 C ATOM 1539 C PHE A 99 5.341 -0.115 -8.592 1.00 0.00 C ATOM 1540 O PHE A 99 6.453 0.405 -8.649 1.00 0.00 O ATOM 1541 CB PHE A 99 4.043 -1.558 -10.148 1.00 0.00 C ATOM 1542 CG PHE A 99 3.572 -2.970 -10.428 1.00 0.00 C ATOM 1543 CD1 PHE A 99 4.499 -4.002 -10.625 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.201 -3.241 -10.495 1.00 0.00 C ATOM 1545 CE1 PHE A 99 4.053 -5.304 -10.885 1.00 0.00 C ATOM 1546 CE2 PHE A 99 1.755 -4.543 -10.756 1.00 0.00 C ATOM 1547 CZ PHE A 99 2.680 -5.573 -10.950 1.00 0.00 C ATOM 0 H PHE A 99 3.725 -2.585 -7.860 1.00 0.00 H new ATOM 0 HA PHE A 99 6.043 -1.963 -9.456 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.198 -0.942 -9.840 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.444 -1.116 -11.060 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.558 -3.793 -10.576 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.486 -2.446 -10.345 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.767 -6.100 -11.035 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.696 -4.751 -10.807 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.336 -6.577 -11.150 1.00 0.00 H new ATOM 1557 N PHE A 100 4.264 0.520 -8.135 1.00 0.00 N ATOM 1558 CA PHE A 100 4.344 1.901 -7.667 1.00 0.00 C ATOM 1559 C PHE A 100 4.930 1.955 -6.256 1.00 0.00 C ATOM 1560 O PHE A 100 4.237 2.260 -5.284 1.00 0.00 O ATOM 1561 CB PHE A 100 2.951 2.541 -7.665 1.00 0.00 C ATOM 1562 CG PHE A 100 3.069 4.016 -7.363 1.00 0.00 C ATOM 1563 CD1 PHE A 100 3.521 4.900 -8.350 1.00 0.00 C ATOM 1564 CD2 PHE A 100 2.727 4.500 -6.094 1.00 0.00 C ATOM 1565 CE1 PHE A 100 3.631 6.266 -8.070 1.00 0.00 C ATOM 1566 CE2 PHE A 100 2.837 5.867 -5.814 1.00 0.00 C ATOM 1567 CZ PHE A 100 3.288 6.750 -6.801 1.00 0.00 C ATOM 0 H PHE A 100 3.334 0.105 -8.079 1.00 0.00 H new ATOM 0 HA PHE A 100 4.995 2.454 -8.344 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.472 2.395 -8.633 1.00 0.00 H new ATOM 0 HB3 PHE A 100 2.319 2.057 -6.921 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.785 4.527 -9.329 1.00 0.00 H new ATOM 0 HD2 PHE A 100 2.379 3.819 -5.332 1.00 0.00 H new ATOM 0 HE1 PHE A 100 3.980 6.947 -8.832 1.00 0.00 H new ATOM 0 HE2 PHE A 100 2.574 6.240 -4.835 1.00 0.00 H new ATOM 0 HZ PHE A 100 3.372 7.805 -6.585 1.00 0.00 H new ATOM 1577 N LYS A 101 6.222 1.656 -6.159 1.00 0.00 N ATOM 1578 CA LYS A 101 6.910 1.669 -4.870 1.00 0.00 C ATOM 1579 C LYS A 101 8.375 1.299 -5.059 1.00 0.00 C ATOM 1580 O LYS A 101 9.276 2.083 -4.760 1.00 0.00 O ATOM 1581 CB LYS A 101 6.266 0.673 -3.902 1.00 0.00 C ATOM 1582 CG LYS A 101 6.547 1.106 -2.462 1.00 0.00 C ATOM 1583 CD LYS A 101 5.384 0.676 -1.564 1.00 0.00 C ATOM 1584 CE LYS A 101 4.160 1.546 -1.860 1.00 0.00 C ATOM 1585 NZ LYS A 101 2.894 0.777 -1.693 1.00 0.00 N ATOM 0 H LYS A 101 6.812 1.403 -6.952 1.00 0.00 H new ATOM 0 HA LYS A 101 6.831 2.673 -4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.191 0.625 -4.075 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.662 -0.327 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.477 0.658 -2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.677 2.187 -2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.147 -0.374 -1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.666 0.771 -0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.155 2.408 -1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.222 1.931 -2.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.289 0.919 -2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.113 -0.235 -1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.395 1.110 -0.843 1.00 0.00 H new ATOM 1599 N CYS A 102 8.600 0.089 -5.570 1.00 0.00 N ATOM 1600 CA CYS A 102 9.957 -0.407 -5.815 1.00 0.00 C ATOM 1601 C CYS A 102 10.780 0.612 -6.608 1.00 0.00 C ATOM 1602 O CYS A 102 11.863 1.018 -6.187 1.00 0.00 O ATOM 1603 CB CYS A 102 9.896 -1.718 -6.604 1.00 0.00 C ATOM 1604 SG CYS A 102 11.539 -2.469 -6.673 1.00 0.00 S ATOM 0 H CYS A 102 7.861 -0.567 -5.823 1.00 0.00 H new ATOM 0 HA CYS A 102 10.435 -0.572 -4.849 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.192 -2.404 -6.133 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.530 -1.529 -7.613 1.00 0.00 H new ATOM 1609 N VAL A 103 10.247 1.017 -7.756 1.00 0.00 N ATOM 1610 CA VAL A 103 10.931 1.991 -8.604 1.00 0.00 C ATOM 1611 C VAL A 103 11.081 3.332 -7.885 1.00 0.00 C ATOM 1612 O VAL A 103 11.970 4.122 -8.203 1.00 0.00 O ATOM 1613 CB VAL A 103 10.150 2.208 -9.902 1.00 0.00 C ATOM 1614 CG1 VAL A 103 10.165 0.919 -10.727 1.00 0.00 C ATOM 1615 CG2 VAL A 103 8.705 2.583 -9.570 1.00 0.00 C ATOM 0 H VAL A 103 9.352 0.690 -8.120 1.00 0.00 H new ATOM 0 HA VAL A 103 11.921 1.595 -8.831 1.00 0.00 H new ATOM 0 HB VAL A 103 10.612 3.012 -10.475 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.609 1.072 -11.652 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.195 0.650 -10.963 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.702 0.115 -10.154 1.00 0.00 H new ATOM 0 HG21 VAL A 103 8.148 2.738 -10.494 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.243 1.779 -8.998 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.693 3.500 -8.981 1.00 0.00 H new ATOM 1625 N HIS A 104 10.204 3.584 -6.913 1.00 0.00 N ATOM 1626 CA HIS A 104 10.254 4.836 -6.161 1.00 0.00 C ATOM 1627 C HIS A 104 11.267 4.747 -5.021 1.00 0.00 C ATOM 1628 O HIS A 104 11.811 5.759 -4.579 1.00 0.00 O ATOM 1629 CB HIS A 104 8.878 5.165 -5.579 1.00 0.00 C ATOM 1630 CG HIS A 104 7.951 5.576 -6.690 1.00 0.00 C ATOM 1631 ND1 HIS A 104 7.273 4.650 -7.468 1.00 0.00 N ATOM 1632 CD2 HIS A 104 7.580 6.809 -7.168 1.00 0.00 C ATOM 1633 CE1 HIS A 104 6.537 5.334 -8.363 1.00 0.00 C ATOM 1634 NE2 HIS A 104 6.688 6.653 -8.224 1.00 0.00 N ATOM 0 H HIS A 104 9.460 2.946 -6.631 1.00 0.00 H new ATOM 0 HA HIS A 104 10.559 5.624 -6.850 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.475 4.297 -5.056 1.00 0.00 H new ATOM 0 HB3 HIS A 104 8.963 5.967 -4.846 1.00 0.00 H new ATOM 0 HD2 HIS A 104 7.928 7.756 -6.783 1.00 0.00 H new ATOM 0 HE1 HIS A 104 5.901 4.872 -9.104 1.00 0.00 H new ATOM 0 HE2 HIS A 104 6.245 7.389 -8.774 1.00 0.00 H new ATOM 1642 N ASP A 105 11.518 3.527 -4.546 1.00 0.00 N ATOM 1643 CA ASP A 105 12.470 3.326 -3.455 1.00 0.00 C ATOM 1644 C ASP A 105 13.833 2.906 -3.999 1.00 0.00 C ATOM 1645 O ASP A 105 14.587 2.193 -3.336 1.00 0.00 O ATOM 1646 CB ASP A 105 11.963 2.249 -2.494 1.00 0.00 C ATOM 1647 CG ASP A 105 10.906 2.846 -1.572 1.00 0.00 C ATOM 1648 OD1 ASP A 105 11.279 3.374 -0.537 1.00 0.00 O ATOM 1649 OD2 ASP A 105 9.737 2.767 -1.915 1.00 0.00 O ATOM 0 H ASP A 105 11.082 2.673 -4.894 1.00 0.00 H new ATOM 0 HA ASP A 105 12.571 4.271 -2.922 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.542 1.415 -3.055 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.791 1.852 -1.906 1.00 0.00 H new