USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 658 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 35 TYR OH : rot 67:sc= 0.209 USER MOD Set 1.2: A 61 ASN : amide:sc= -1.21! K(o=-1!,f=0.15) USER MOD Single : A 11 THR OG1 : rot -14:sc= 0.651 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -26:sc= 0.2 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.0501 X(o=-0.05,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.556 X(o=-0.56,f=-0.59) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0123 USER MOD Single : A 32 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0118) USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 0.0865 (180deg=0.0669) USER MOD Single : A 34 SER OG : rot 100:sc= -0.695 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.885 K(o=-0.88,f=-1.8!) USER MOD Single : A 46 LYS NZ :NH3+ -130:sc= -0.0246 (180deg=-0.451) USER MOD Single : A 47 ASN : amide:sc= 0.617 K(o=0.62,f=-0.02) USER MOD Single : A 50 ASN : amide:sc= -0.593 K(o=-0.59,f=-6.4!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -9.95! C(o=-10!,f=-11!) USER MOD Single : A 64 HIS : no HE2:sc= -2.73! C(o=-2.7!,f=-9.1!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.144 K(o=-0.14,f=-0.71) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -118:sc= 0.888 (180deg=-0.0462) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.386 K(o=0.39,f=-1.2) USER MOD Single : A 94 ASN : amide:sc= -3.16! C(o=-3.2!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 11 -5.010 3.702 -7.437 1.00 0.43 N ATOM 242 CA THR A 11 -5.481 2.440 -6.905 1.00 0.36 C ATOM 243 C THR A 11 -5.296 1.301 -7.894 1.00 0.37 C ATOM 244 O THR A 11 -6.208 0.944 -8.644 1.00 0.44 O ATOM 245 CB THR A 11 -6.946 2.531 -6.472 1.00 0.44 C ATOM 246 OG1 THR A 11 -7.619 3.537 -7.236 1.00 0.60 O ATOM 247 CG2 THR A 11 -7.041 2.851 -4.994 1.00 0.54 C ATOM 0 HA THR A 11 -4.872 2.223 -6.027 1.00 0.36 H new ATOM 0 HB THR A 11 -7.424 1.568 -6.651 1.00 0.44 H new ATOM 0 HG1 THR A 11 -6.958 4.090 -7.703 1.00 0.60 H new ATOM 0 HG21 THR A 11 -8.089 2.912 -4.702 1.00 0.54 H new ATOM 0 HG22 THR A 11 -6.549 2.066 -4.419 1.00 0.54 H new ATOM 0 HG23 THR A 11 -6.553 3.805 -4.796 1.00 0.54 H new ATOM 255 N SER A 12 -4.090 0.760 -7.905 1.00 0.36 N ATOM 256 CA SER A 12 -3.773 -0.396 -8.711 1.00 0.40 C ATOM 257 C SER A 12 -2.991 -1.403 -7.880 1.00 0.34 C ATOM 258 O SER A 12 -1.759 -1.448 -7.933 1.00 0.41 O ATOM 259 CB SER A 12 -2.972 0.018 -9.938 1.00 0.53 C ATOM 260 OG SER A 12 -3.642 1.032 -10.668 1.00 1.26 O ATOM 0 H SER A 12 -3.307 1.113 -7.355 1.00 0.36 H new ATOM 0 HA SER A 12 -4.700 -0.860 -9.048 1.00 0.40 H new ATOM 0 HB2 SER A 12 -1.989 0.376 -9.631 1.00 0.53 H new ATOM 0 HB3 SER A 12 -2.809 -0.848 -10.579 1.00 0.53 H new ATOM 0 HG SER A 12 -3.106 1.281 -11.450 1.00 1.26 H new ATOM 266 N GLY A 13 -3.711 -2.189 -7.083 1.00 0.28 N ATOM 267 CA GLY A 13 -3.069 -3.197 -6.257 1.00 0.29 C ATOM 268 C GLY A 13 -2.391 -4.259 -7.086 1.00 0.27 C ATOM 269 O GLY A 13 -1.565 -5.021 -6.586 1.00 0.27 O ATOM 0 H GLY A 13 -4.726 -2.146 -6.995 1.00 0.28 H new ATOM 0 HA2 GLY A 13 -2.335 -2.720 -5.608 1.00 0.29 H new ATOM 0 HA3 GLY A 13 -3.812 -3.662 -5.609 1.00 0.29 H new ATOM 273 N GLU A 14 -2.735 -4.292 -8.360 1.00 0.28 N ATOM 274 CA GLU A 14 -2.155 -5.233 -9.299 1.00 0.26 C ATOM 275 C GLU A 14 -0.639 -5.040 -9.418 1.00 0.20 C ATOM 276 O GLU A 14 0.090 -5.957 -9.788 1.00 0.23 O ATOM 277 CB GLU A 14 -2.816 -5.051 -10.666 1.00 0.32 C ATOM 278 CG GLU A 14 -2.758 -3.616 -11.167 1.00 0.35 C ATOM 279 CD GLU A 14 -3.507 -3.411 -12.464 1.00 0.95 C ATOM 280 OE1 GLU A 14 -3.001 -3.839 -13.519 1.00 0.99 O ATOM 281 OE2 GLU A 14 -4.611 -2.826 -12.439 1.00 1.60 O ATOM 0 H GLU A 14 -3.426 -3.666 -8.773 1.00 0.28 H new ATOM 0 HA GLU A 14 -2.332 -6.244 -8.932 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -2.327 -5.703 -11.390 1.00 0.32 H new ATOM 0 HB3 GLU A 14 -3.857 -5.367 -10.605 1.00 0.32 H new ATOM 0 HG2 GLU A 14 -3.173 -2.955 -10.406 1.00 0.35 H new ATOM 0 HG3 GLU A 14 -1.716 -3.328 -11.306 1.00 0.35 H new ATOM 288 N SER A 15 -0.171 -3.845 -9.085 1.00 0.21 N ATOM 289 CA SER A 15 1.240 -3.513 -9.202 1.00 0.22 C ATOM 290 C SER A 15 2.020 -3.960 -7.966 1.00 0.19 C ATOM 291 O SER A 15 3.241 -3.938 -7.972 1.00 0.22 O ATOM 292 CB SER A 15 1.404 -2.004 -9.436 1.00 0.31 C ATOM 293 OG SER A 15 2.766 -1.629 -9.558 1.00 0.74 O ATOM 0 H SER A 15 -0.753 -3.086 -8.730 1.00 0.21 H new ATOM 0 HA SER A 15 1.650 -4.049 -10.058 1.00 0.22 H new ATOM 0 HB2 SER A 15 0.867 -1.717 -10.340 1.00 0.31 H new ATOM 0 HB3 SER A 15 0.951 -1.458 -8.609 1.00 0.31 H new ATOM 0 HG SER A 15 3.327 -2.271 -9.075 1.00 0.74 H new ATOM 299 N LEU A 16 1.304 -4.385 -6.926 1.00 0.16 N ATOM 300 CA LEU A 16 1.911 -4.740 -5.633 1.00 0.14 C ATOM 301 C LEU A 16 3.188 -5.566 -5.766 1.00 0.14 C ATOM 302 O LEU A 16 4.251 -5.143 -5.315 1.00 0.16 O ATOM 303 CB LEU A 16 0.898 -5.495 -4.780 1.00 0.16 C ATOM 304 CG LEU A 16 0.291 -4.684 -3.640 1.00 0.16 C ATOM 305 CD1 LEU A 16 0.184 -3.212 -4.015 1.00 0.16 C ATOM 306 CD2 LEU A 16 -1.072 -5.247 -3.282 1.00 0.18 C ATOM 0 H LEU A 16 0.290 -4.494 -6.950 1.00 0.16 H new ATOM 0 HA LEU A 16 2.194 -3.803 -5.154 1.00 0.14 H new ATOM 0 HB2 LEU A 16 0.093 -5.848 -5.424 1.00 0.16 H new ATOM 0 HB3 LEU A 16 1.382 -6.377 -4.362 1.00 0.16 H new ATOM 0 HG LEU A 16 0.945 -4.757 -2.771 1.00 0.16 H new ATOM 0 HD11 LEU A 16 -0.252 -2.656 -3.185 1.00 0.16 H new ATOM 0 HD12 LEU A 16 1.177 -2.819 -4.233 1.00 0.16 H new ATOM 0 HD13 LEU A 16 -0.450 -3.106 -4.895 1.00 0.16 H new ATOM 0 HD21 LEU A 16 -1.503 -4.666 -2.467 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -1.727 -5.195 -4.152 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -0.966 -6.286 -2.970 1.00 0.18 H new ATOM 318 N TYR A 17 3.093 -6.727 -6.395 1.00 0.17 N ATOM 319 CA TYR A 17 4.250 -7.609 -6.536 1.00 0.20 C ATOM 320 C TYR A 17 5.328 -6.996 -7.436 1.00 0.24 C ATOM 321 O TYR A 17 6.477 -7.430 -7.425 1.00 0.34 O ATOM 322 CB TYR A 17 3.831 -8.985 -7.059 1.00 0.25 C ATOM 323 CG TYR A 17 2.735 -8.969 -8.104 1.00 0.63 C ATOM 324 CD1 TYR A 17 3.023 -8.788 -9.449 1.00 1.22 C ATOM 325 CD2 TYR A 17 1.407 -9.159 -7.738 1.00 0.69 C ATOM 326 CE1 TYR A 17 2.020 -8.796 -10.402 1.00 1.66 C ATOM 327 CE2 TYR A 17 0.399 -9.165 -8.682 1.00 1.08 C ATOM 328 CZ TYR A 17 0.710 -8.984 -10.013 1.00 1.53 C ATOM 329 OH TYR A 17 -0.291 -8.999 -10.959 1.00 1.99 O ATOM 0 H TYR A 17 2.234 -7.082 -6.815 1.00 0.17 H new ATOM 0 HA TYR A 17 4.682 -7.734 -5.543 1.00 0.20 H new ATOM 0 HB2 TYR A 17 4.707 -9.478 -7.481 1.00 0.25 H new ATOM 0 HB3 TYR A 17 3.499 -9.591 -6.216 1.00 0.25 H new ATOM 0 HD1 TYR A 17 4.047 -8.638 -9.757 1.00 1.22 H new ATOM 0 HD2 TYR A 17 1.159 -9.304 -6.697 1.00 0.69 H new ATOM 0 HE1 TYR A 17 2.262 -8.656 -11.445 1.00 1.66 H new ATOM 0 HE2 TYR A 17 -0.627 -9.311 -8.379 1.00 1.08 H new ATOM 0 HH TYR A 17 -1.155 -9.143 -10.519 1.00 1.99 H new ATOM 339 N HIS A 18 4.957 -5.980 -8.203 1.00 0.22 N ATOM 340 CA HIS A 18 5.910 -5.275 -9.057 1.00 0.26 C ATOM 341 C HIS A 18 6.530 -4.103 -8.315 1.00 0.23 C ATOM 342 O HIS A 18 7.573 -3.587 -8.708 1.00 0.29 O ATOM 343 CB HIS A 18 5.240 -4.767 -10.341 1.00 0.31 C ATOM 344 CG HIS A 18 4.873 -5.846 -11.310 1.00 0.82 C ATOM 345 ND1 HIS A 18 3.710 -5.829 -12.046 1.00 1.62 N ATOM 346 CD2 HIS A 18 5.534 -6.969 -11.681 1.00 1.37 C ATOM 347 CE1 HIS A 18 3.667 -6.892 -12.823 1.00 1.96 C ATOM 348 NE2 HIS A 18 4.762 -7.602 -12.624 1.00 1.74 N ATOM 0 H HIS A 18 4.003 -5.623 -8.253 1.00 0.22 H new ATOM 0 HA HIS A 18 6.691 -5.986 -9.328 1.00 0.26 H new ATOM 0 HB2 HIS A 18 4.340 -4.213 -10.073 1.00 0.31 H new ATOM 0 HB3 HIS A 18 5.912 -4.064 -10.834 1.00 0.31 H new ATOM 0 HD2 HIS A 18 6.490 -7.304 -11.305 1.00 1.37 H new ATOM 0 HE1 HIS A 18 2.870 -7.141 -13.508 1.00 1.96 H new ATOM 0 HE2 HIS A 18 4.996 -8.477 -13.093 1.00 1.74 H new ATOM 357 N VAL A 19 5.874 -3.695 -7.245 1.00 0.17 N ATOM 358 CA VAL A 19 6.327 -2.581 -6.435 1.00 0.16 C ATOM 359 C VAL A 19 7.639 -2.918 -5.725 1.00 0.17 C ATOM 360 O VAL A 19 8.563 -2.103 -5.682 1.00 0.20 O ATOM 361 CB VAL A 19 5.241 -2.189 -5.401 1.00 0.15 C ATOM 362 CG1 VAL A 19 5.791 -1.250 -4.352 1.00 0.18 C ATOM 363 CG2 VAL A 19 4.055 -1.548 -6.098 1.00 0.19 C ATOM 0 H VAL A 19 5.012 -4.127 -6.913 1.00 0.17 H new ATOM 0 HA VAL A 19 6.506 -1.733 -7.095 1.00 0.16 H new ATOM 0 HB VAL A 19 4.914 -3.101 -4.902 1.00 0.15 H new ATOM 0 HG11 VAL A 19 5.003 -0.995 -3.643 1.00 0.18 H new ATOM 0 HG12 VAL A 19 6.612 -1.735 -3.824 1.00 0.18 H new ATOM 0 HG13 VAL A 19 6.155 -0.342 -4.832 1.00 0.18 H new ATOM 0 HG21 VAL A 19 3.301 -1.278 -5.359 1.00 0.19 H new ATOM 0 HG22 VAL A 19 4.383 -0.652 -6.625 1.00 0.19 H new ATOM 0 HG23 VAL A 19 3.628 -2.253 -6.812 1.00 0.19 H new ATOM 373 N LEU A 20 7.713 -4.125 -5.184 1.00 0.18 N ATOM 374 CA LEU A 20 8.878 -4.540 -4.402 1.00 0.24 C ATOM 375 C LEU A 20 9.531 -5.801 -4.962 1.00 0.27 C ATOM 376 O LEU A 20 10.718 -6.034 -4.749 1.00 0.33 O ATOM 377 CB LEU A 20 8.516 -4.738 -2.923 1.00 0.28 C ATOM 378 CG LEU A 20 7.025 -4.854 -2.600 1.00 0.23 C ATOM 379 CD1 LEU A 20 6.425 -6.093 -3.237 1.00 0.25 C ATOM 380 CD2 LEU A 20 6.816 -4.872 -1.094 1.00 0.28 C ATOM 0 H LEU A 20 6.986 -4.835 -5.269 1.00 0.18 H new ATOM 0 HA LEU A 20 9.605 -3.732 -4.477 1.00 0.24 H new ATOM 0 HB2 LEU A 20 9.014 -5.639 -2.566 1.00 0.28 H new ATOM 0 HB3 LEU A 20 8.925 -3.902 -2.356 1.00 0.28 H new ATOM 0 HG LEU A 20 6.515 -3.985 -3.015 1.00 0.23 H new ATOM 0 HD11 LEU A 20 5.365 -6.151 -2.992 1.00 0.25 H new ATOM 0 HD12 LEU A 20 6.545 -6.040 -4.319 1.00 0.25 H new ATOM 0 HD13 LEU A 20 6.934 -6.979 -2.859 1.00 0.25 H new ATOM 0 HD21 LEU A 20 5.751 -4.955 -0.875 1.00 0.28 H new ATOM 0 HD22 LEU A 20 7.342 -5.724 -0.664 1.00 0.28 H new ATOM 0 HD23 LEU A 20 7.205 -3.950 -0.662 1.00 0.28 H new ATOM 392 N GLY A 21 8.754 -6.616 -5.665 1.00 0.27 N ATOM 393 CA GLY A 21 9.293 -7.832 -6.250 1.00 0.32 C ATOM 394 C GLY A 21 8.936 -9.081 -5.462 1.00 0.34 C ATOM 395 O GLY A 21 9.133 -10.197 -5.941 1.00 0.65 O ATOM 0 H GLY A 21 7.762 -6.458 -5.841 1.00 0.27 H new ATOM 0 HA2 GLY A 21 8.921 -7.934 -7.269 1.00 0.32 H new ATOM 0 HA3 GLY A 21 10.378 -7.748 -6.314 1.00 0.32 H new ATOM 399 N LEU A 22 8.403 -8.896 -4.263 1.00 0.19 N ATOM 400 CA LEU A 22 7.945 -10.017 -3.449 1.00 0.16 C ATOM 401 C LEU A 22 6.449 -10.212 -3.687 1.00 0.17 C ATOM 402 O LEU A 22 5.775 -9.289 -4.147 1.00 0.19 O ATOM 403 CB LEU A 22 8.225 -9.743 -1.956 1.00 0.14 C ATOM 404 CG LEU A 22 8.570 -10.966 -1.075 1.00 0.15 C ATOM 405 CD1 LEU A 22 8.851 -12.203 -1.916 1.00 0.19 C ATOM 406 CD2 LEU A 22 9.777 -10.672 -0.200 1.00 0.18 C ATOM 0 H LEU A 22 8.276 -7.981 -3.831 1.00 0.19 H new ATOM 0 HA LEU A 22 8.481 -10.923 -3.730 1.00 0.16 H new ATOM 0 HB2 LEU A 22 9.050 -9.033 -1.890 1.00 0.14 H new ATOM 0 HB3 LEU A 22 7.349 -9.254 -1.530 1.00 0.14 H new ATOM 0 HG LEU A 22 7.701 -11.163 -0.447 1.00 0.15 H new ATOM 0 HD11 LEU A 22 9.090 -13.041 -1.262 1.00 0.19 H new ATOM 0 HD12 LEU A 22 7.971 -12.446 -2.511 1.00 0.19 H new ATOM 0 HD13 LEU A 22 9.694 -12.009 -2.579 1.00 0.19 H new ATOM 0 HD21 LEU A 22 10.004 -11.545 0.412 1.00 0.18 H new ATOM 0 HD22 LEU A 22 10.635 -10.438 -0.830 1.00 0.18 H new ATOM 0 HD23 LEU A 22 9.559 -9.822 0.447 1.00 0.18 H new ATOM 418 N ASP A 23 5.946 -11.408 -3.407 1.00 0.18 N ATOM 419 CA ASP A 23 4.512 -11.695 -3.484 1.00 0.21 C ATOM 420 C ASP A 23 4.241 -13.125 -3.118 1.00 0.23 C ATOM 421 O ASP A 23 4.653 -14.020 -3.844 1.00 0.26 O ATOM 422 CB ASP A 23 3.943 -11.492 -4.876 1.00 0.29 C ATOM 423 CG ASP A 23 2.428 -11.490 -4.879 1.00 1.05 C ATOM 424 OD1 ASP A 23 1.832 -10.742 -4.080 1.00 1.77 O ATOM 425 OD2 ASP A 23 1.825 -12.246 -5.673 1.00 1.13 O ATOM 0 H ASP A 23 6.514 -12.205 -3.121 1.00 0.18 H new ATOM 0 HA ASP A 23 4.039 -10.999 -2.791 1.00 0.21 H new ATOM 0 HB2 ASP A 23 4.307 -10.548 -5.282 1.00 0.29 H new ATOM 0 HB3 ASP A 23 4.305 -12.282 -5.534 1.00 0.29 H new ATOM 430 N LYS A 24 3.577 -13.321 -1.983 1.00 0.23 N ATOM 431 CA LYS A 24 3.014 -14.619 -1.567 1.00 0.28 C ATOM 432 C LYS A 24 4.013 -15.783 -1.616 1.00 0.28 C ATOM 433 O LYS A 24 3.636 -16.935 -1.407 1.00 0.34 O ATOM 434 CB LYS A 24 1.768 -14.938 -2.414 1.00 0.35 C ATOM 435 CG LYS A 24 2.044 -15.199 -3.890 1.00 0.37 C ATOM 436 CD LYS A 24 2.050 -16.683 -4.217 1.00 0.43 C ATOM 437 CE LYS A 24 3.399 -17.120 -4.755 1.00 0.50 C ATOM 438 NZ LYS A 24 3.425 -18.562 -5.105 1.00 1.42 N ATOM 0 H LYS A 24 3.407 -12.575 -1.309 1.00 0.23 H new ATOM 0 HA LYS A 24 2.742 -14.515 -0.517 1.00 0.28 H new ATOM 0 HB2 LYS A 24 1.274 -15.813 -1.992 1.00 0.35 H new ATOM 0 HB3 LYS A 24 1.068 -14.106 -2.332 1.00 0.35 H new ATOM 0 HG2 LYS A 24 1.287 -14.698 -4.494 1.00 0.37 H new ATOM 0 HG3 LYS A 24 3.006 -14.765 -4.161 1.00 0.37 H new ATOM 0 HD2 LYS A 24 1.809 -17.256 -3.322 1.00 0.43 H new ATOM 0 HD3 LYS A 24 1.275 -16.899 -4.952 1.00 0.43 H new ATOM 0 HE2 LYS A 24 3.644 -16.530 -5.638 1.00 0.50 H new ATOM 0 HE3 LYS A 24 4.168 -16.915 -4.011 1.00 0.50 H new ATOM 0 HZ1 LYS A 24 4.366 -18.814 -5.468 1.00 1.42 H new ATOM 0 HZ2 LYS A 24 3.217 -19.129 -4.258 1.00 1.42 H new ATOM 0 HZ3 LYS A 24 2.710 -18.755 -5.835 1.00 1.42 H new ATOM 452 N ASN A 25 5.276 -15.489 -1.863 1.00 0.25 N ATOM 453 CA ASN A 25 6.305 -16.511 -1.850 1.00 0.28 C ATOM 454 C ASN A 25 7.039 -16.453 -0.532 1.00 0.25 C ATOM 455 O ASN A 25 7.536 -17.454 -0.021 1.00 0.31 O ATOM 456 CB ASN A 25 7.315 -16.331 -2.992 1.00 0.31 C ATOM 457 CG ASN A 25 6.770 -16.743 -4.345 1.00 0.35 C ATOM 458 OD1 ASN A 25 6.765 -17.923 -4.690 1.00 0.40 O ATOM 459 ND2 ASN A 25 6.343 -15.774 -5.136 1.00 0.37 N ATOM 0 H ASN A 25 5.614 -14.550 -2.075 1.00 0.25 H new ATOM 0 HA ASN A 25 5.817 -17.476 -1.985 1.00 0.28 H new ATOM 0 HB2 ASN A 25 7.622 -15.286 -3.035 1.00 0.31 H new ATOM 0 HB3 ASN A 25 8.208 -16.917 -2.774 1.00 0.31 H new ATOM 0 HD21 ASN A 25 5.994 -15.994 -6.069 1.00 0.37 H new ATOM 0 HD22 ASN A 25 6.363 -14.806 -4.814 1.00 0.37 H new ATOM 466 N ALA A 26 7.082 -15.253 0.012 1.00 0.20 N ATOM 467 CA ALA A 26 7.785 -14.986 1.243 1.00 0.19 C ATOM 468 C ALA A 26 6.849 -15.084 2.419 1.00 0.19 C ATOM 469 O ALA A 26 5.628 -14.986 2.281 1.00 0.24 O ATOM 470 CB ALA A 26 8.408 -13.611 1.188 1.00 0.18 C ATOM 0 H ALA A 26 6.627 -14.435 -0.392 1.00 0.20 H new ATOM 0 HA ALA A 26 8.571 -15.731 1.366 1.00 0.19 H new ATOM 0 HB1 ALA A 26 8.938 -13.414 2.120 1.00 0.18 H new ATOM 0 HB2 ALA A 26 9.109 -13.562 0.355 1.00 0.18 H new ATOM 0 HB3 ALA A 26 7.627 -12.863 1.049 1.00 0.18 H new ATOM 476 N THR A 27 7.440 -15.276 3.567 1.00 0.21 N ATOM 477 CA THR A 27 6.715 -15.377 4.803 1.00 0.24 C ATOM 478 C THR A 27 6.429 -13.989 5.340 1.00 0.21 C ATOM 479 O THR A 27 6.784 -12.987 4.711 1.00 0.21 O ATOM 480 CB THR A 27 7.541 -16.168 5.830 1.00 0.30 C ATOM 481 OG1 THR A 27 8.641 -15.373 6.291 1.00 0.33 O ATOM 482 CG2 THR A 27 8.084 -17.429 5.193 1.00 0.35 C ATOM 0 H THR A 27 8.451 -15.368 3.671 1.00 0.21 H new ATOM 0 HA THR A 27 5.774 -15.897 4.624 1.00 0.24 H new ATOM 0 HB THR A 27 6.896 -16.426 6.670 1.00 0.30 H new ATOM 0 HG1 THR A 27 9.161 -15.883 6.946 1.00 0.33 H new ATOM 0 HG21 THR A 27 8.668 -17.985 5.926 1.00 0.35 H new ATOM 0 HG22 THR A 27 7.256 -18.047 4.845 1.00 0.35 H new ATOM 0 HG23 THR A 27 8.719 -17.165 4.348 1.00 0.35 H new ATOM 490 N SER A 28 5.804 -13.927 6.500 1.00 0.26 N ATOM 491 CA SER A 28 5.571 -12.664 7.171 1.00 0.32 C ATOM 492 C SER A 28 6.890 -11.974 7.495 1.00 0.31 C ATOM 493 O SER A 28 6.921 -10.802 7.858 1.00 0.41 O ATOM 494 CB SER A 28 4.736 -12.882 8.433 1.00 0.40 C ATOM 495 OG SER A 28 5.229 -13.982 9.182 1.00 1.54 O ATOM 0 H SER A 28 5.447 -14.742 6.999 1.00 0.26 H new ATOM 0 HA SER A 28 5.012 -12.011 6.501 1.00 0.32 H new ATOM 0 HB2 SER A 28 4.755 -11.981 9.047 1.00 0.40 H new ATOM 0 HB3 SER A 28 3.696 -13.060 8.160 1.00 0.40 H new ATOM 0 HG SER A 28 4.681 -14.102 9.986 1.00 1.54 H new ATOM 501 N ASP A 29 7.972 -12.720 7.371 1.00 0.27 N ATOM 502 CA ASP A 29 9.299 -12.170 7.560 1.00 0.34 C ATOM 503 C ASP A 29 9.773 -11.452 6.296 1.00 0.32 C ATOM 504 O ASP A 29 9.990 -10.243 6.320 1.00 0.44 O ATOM 505 CB ASP A 29 10.296 -13.268 7.938 1.00 0.38 C ATOM 506 CG ASP A 29 11.672 -12.709 8.262 1.00 0.97 C ATOM 507 OD1 ASP A 29 12.438 -12.418 7.321 1.00 1.68 O ATOM 508 OD2 ASP A 29 11.998 -12.556 9.458 1.00 0.96 O ATOM 0 H ASP A 29 7.956 -13.713 7.139 1.00 0.27 H new ATOM 0 HA ASP A 29 9.247 -11.449 8.376 1.00 0.34 H new ATOM 0 HB2 ASP A 29 9.918 -13.819 8.799 1.00 0.38 H new ATOM 0 HB3 ASP A 29 10.379 -13.979 7.116 1.00 0.38 H new ATOM 513 N ASP A 30 9.871 -12.178 5.177 1.00 0.22 N ATOM 514 CA ASP A 30 10.570 -11.651 4.002 1.00 0.21 C ATOM 515 C ASP A 30 9.747 -10.603 3.271 1.00 0.16 C ATOM 516 O ASP A 30 10.292 -9.595 2.825 1.00 0.17 O ATOM 517 CB ASP A 30 10.987 -12.774 3.049 1.00 0.23 C ATOM 518 CG ASP A 30 12.238 -13.498 3.509 1.00 0.89 C ATOM 519 OD1 ASP A 30 13.348 -12.953 3.339 1.00 1.81 O ATOM 520 OD2 ASP A 30 12.118 -14.621 4.040 1.00 1.22 O ATOM 0 H ASP A 30 9.483 -13.114 5.061 1.00 0.22 H new ATOM 0 HA ASP A 30 11.473 -11.162 4.367 1.00 0.21 H new ATOM 0 HB2 ASP A 30 10.170 -13.490 2.959 1.00 0.23 H new ATOM 0 HB3 ASP A 30 11.157 -12.358 2.056 1.00 0.23 H new ATOM 525 N ILE A 31 8.442 -10.842 3.141 1.00 0.14 N ATOM 526 CA ILE A 31 7.529 -9.852 2.578 1.00 0.14 C ATOM 527 C ILE A 31 7.759 -8.473 3.202 1.00 0.14 C ATOM 528 O ILE A 31 7.871 -7.471 2.498 1.00 0.16 O ATOM 529 CB ILE A 31 6.054 -10.249 2.812 1.00 0.21 C ATOM 530 CG1 ILE A 31 5.737 -11.615 2.201 1.00 0.38 C ATOM 531 CG2 ILE A 31 5.128 -9.188 2.237 1.00 0.16 C ATOM 532 CD1 ILE A 31 5.661 -11.618 0.694 1.00 0.42 C ATOM 0 H ILE A 31 7.994 -11.715 3.419 1.00 0.14 H new ATOM 0 HA ILE A 31 7.732 -9.813 1.508 1.00 0.14 H new ATOM 0 HB ILE A 31 5.894 -10.320 3.888 1.00 0.21 H new ATOM 0 HG12 ILE A 31 6.500 -12.327 2.516 1.00 0.38 H new ATOM 0 HG13 ILE A 31 4.787 -11.968 2.602 1.00 0.38 H new ATOM 0 HG21 ILE A 31 4.091 -9.479 2.408 1.00 0.16 H new ATOM 0 HG22 ILE A 31 5.322 -8.233 2.725 1.00 0.16 H new ATOM 0 HG23 ILE A 31 5.306 -9.091 1.166 1.00 0.16 H new ATOM 0 HD11 ILE A 31 5.432 -12.624 0.343 1.00 0.42 H new ATOM 0 HD12 ILE A 31 4.878 -10.933 0.368 1.00 0.42 H new ATOM 0 HD13 ILE A 31 6.618 -11.298 0.281 1.00 0.42 H new ATOM 544 N LYS A 32 7.844 -8.436 4.527 1.00 0.17 N ATOM 545 CA LYS A 32 7.995 -7.176 5.244 1.00 0.21 C ATOM 546 C LYS A 32 9.379 -6.583 5.009 1.00 0.20 C ATOM 547 O LYS A 32 9.522 -5.374 4.826 1.00 0.21 O ATOM 548 CB LYS A 32 7.758 -7.376 6.739 1.00 0.29 C ATOM 549 CG LYS A 32 6.422 -8.023 7.043 1.00 0.33 C ATOM 550 CD LYS A 32 5.288 -7.308 6.338 1.00 0.35 C ATOM 551 CE LYS A 32 4.021 -8.134 6.353 1.00 0.43 C ATOM 552 NZ LYS A 32 3.506 -8.346 7.732 1.00 0.88 N ATOM 0 H LYS A 32 7.811 -9.262 5.125 1.00 0.17 H new ATOM 0 HA LYS A 32 7.249 -6.479 4.861 1.00 0.21 H new ATOM 0 HB2 LYS A 32 8.557 -7.994 7.149 1.00 0.29 H new ATOM 0 HB3 LYS A 32 7.811 -6.411 7.243 1.00 0.29 H new ATOM 0 HG2 LYS A 32 6.443 -9.068 6.734 1.00 0.33 H new ATOM 0 HG3 LYS A 32 6.248 -8.013 8.119 1.00 0.33 H new ATOM 0 HD2 LYS A 32 5.104 -6.349 6.821 1.00 0.35 H new ATOM 0 HD3 LYS A 32 5.574 -7.096 5.308 1.00 0.35 H new ATOM 0 HE2 LYS A 32 3.258 -7.637 5.754 1.00 0.43 H new ATOM 0 HE3 LYS A 32 4.213 -9.100 5.886 1.00 0.43 H new ATOM 0 HZ1 LYS A 32 2.619 -8.888 7.692 1.00 0.88 H new ATOM 0 HZ2 LYS A 32 4.209 -8.873 8.288 1.00 0.88 H new ATOM 0 HZ3 LYS A 32 3.329 -7.425 8.182 1.00 0.88 H new ATOM 566 N LYS A 33 10.390 -7.443 5.010 1.00 0.21 N ATOM 567 CA LYS A 33 11.767 -7.019 4.772 1.00 0.22 C ATOM 568 C LYS A 33 11.906 -6.426 3.384 1.00 0.19 C ATOM 569 O LYS A 33 12.636 -5.456 3.182 1.00 0.19 O ATOM 570 CB LYS A 33 12.714 -8.202 4.889 1.00 0.28 C ATOM 571 CG LYS A 33 12.616 -8.938 6.209 1.00 0.35 C ATOM 572 CD LYS A 33 13.048 -8.072 7.379 1.00 0.49 C ATOM 573 CE LYS A 33 12.793 -8.769 8.705 1.00 0.62 C ATOM 574 NZ LYS A 33 13.424 -10.116 8.761 1.00 1.41 N ATOM 0 H LYS A 33 10.282 -8.444 5.174 1.00 0.21 H new ATOM 0 HA LYS A 33 12.020 -6.268 5.521 1.00 0.22 H new ATOM 0 HB2 LYS A 33 12.508 -8.901 4.078 1.00 0.28 H new ATOM 0 HB3 LYS A 33 13.737 -7.851 4.755 1.00 0.28 H new ATOM 0 HG2 LYS A 33 11.589 -9.269 6.363 1.00 0.35 H new ATOM 0 HG3 LYS A 33 13.237 -9.833 6.172 1.00 0.35 H new ATOM 0 HD2 LYS A 33 14.108 -7.836 7.288 1.00 0.49 H new ATOM 0 HD3 LYS A 33 12.507 -7.126 7.353 1.00 0.49 H new ATOM 0 HE2 LYS A 33 13.180 -8.154 9.517 1.00 0.62 H new ATOM 0 HE3 LYS A 33 11.719 -8.866 8.862 1.00 0.62 H new ATOM 0 HZ1 LYS A 33 13.239 -10.548 9.689 1.00 1.41 H new ATOM 0 HZ2 LYS A 33 13.024 -10.718 8.013 1.00 1.41 H new ATOM 0 HZ3 LYS A 33 14.450 -10.025 8.620 1.00 1.41 H new ATOM 588 N SER A 34 11.206 -7.034 2.433 1.00 0.18 N ATOM 589 CA SER A 34 11.192 -6.561 1.060 1.00 0.18 C ATOM 590 C SER A 34 10.823 -5.087 1.032 1.00 0.19 C ATOM 591 O SER A 34 11.435 -4.307 0.314 1.00 0.30 O ATOM 592 CB SER A 34 10.201 -7.379 0.224 1.00 0.21 C ATOM 593 OG SER A 34 10.233 -7.007 -1.146 1.00 0.26 O ATOM 0 H SER A 34 10.636 -7.864 2.594 1.00 0.18 H new ATOM 0 HA SER A 34 12.185 -6.686 0.629 1.00 0.18 H new ATOM 0 HB2 SER A 34 10.435 -8.439 0.318 1.00 0.21 H new ATOM 0 HB3 SER A 34 9.193 -7.239 0.615 1.00 0.21 H new ATOM 0 HG SER A 34 10.773 -7.653 -1.648 1.00 0.26 H new ATOM 599 N TYR A 35 9.862 -4.712 1.866 1.00 0.17 N ATOM 600 CA TYR A 35 9.413 -3.328 1.946 1.00 0.18 C ATOM 601 C TYR A 35 10.448 -2.480 2.657 1.00 0.18 C ATOM 602 O TYR A 35 10.768 -1.377 2.226 1.00 0.26 O ATOM 603 CB TYR A 35 8.074 -3.229 2.689 1.00 0.22 C ATOM 604 CG TYR A 35 7.835 -1.873 3.338 1.00 0.24 C ATOM 605 CD1 TYR A 35 7.684 -0.725 2.572 1.00 0.33 C ATOM 606 CD2 TYR A 35 7.768 -1.745 4.721 1.00 0.29 C ATOM 607 CE1 TYR A 35 7.469 0.507 3.162 1.00 0.40 C ATOM 608 CE2 TYR A 35 7.553 -0.517 5.318 1.00 0.38 C ATOM 609 CZ TYR A 35 7.403 0.606 4.534 1.00 0.42 C ATOM 610 OH TYR A 35 7.185 1.834 5.123 1.00 0.51 O ATOM 0 H TYR A 35 9.377 -5.349 2.498 1.00 0.17 H new ATOM 0 HA TYR A 35 9.279 -2.959 0.929 1.00 0.18 H new ATOM 0 HB2 TYR A 35 7.264 -3.435 1.989 1.00 0.22 H new ATOM 0 HB3 TYR A 35 8.036 -4.002 3.457 1.00 0.22 H new ATOM 0 HD1 TYR A 35 7.735 -0.795 1.496 1.00 0.33 H new ATOM 0 HD2 TYR A 35 7.886 -2.622 5.340 1.00 0.29 H new ATOM 0 HE1 TYR A 35 7.353 1.389 2.549 1.00 0.40 H new ATOM 0 HE2 TYR A 35 7.503 -0.438 6.394 1.00 0.38 H new ATOM 0 HH TYR A 35 6.284 2.149 4.900 1.00 0.51 H new ATOM 620 N ARG A 36 10.967 -3.018 3.743 1.00 0.16 N ATOM 621 CA ARG A 36 11.880 -2.283 4.608 1.00 0.19 C ATOM 622 C ARG A 36 13.102 -1.829 3.842 1.00 0.21 C ATOM 623 O ARG A 36 13.421 -0.647 3.832 1.00 0.23 O ATOM 624 CB ARG A 36 12.303 -3.122 5.805 1.00 0.25 C ATOM 625 CG ARG A 36 11.161 -3.435 6.745 1.00 0.29 C ATOM 626 CD ARG A 36 11.673 -3.977 8.066 1.00 0.42 C ATOM 627 NE ARG A 36 10.609 -4.104 9.064 1.00 0.83 N ATOM 628 CZ ARG A 36 10.726 -4.797 10.197 1.00 1.30 C ATOM 629 NH1 ARG A 36 11.849 -5.457 10.462 1.00 1.53 N ATOM 630 NH2 ARG A 36 9.724 -4.822 11.069 1.00 1.74 N ATOM 0 H ARG A 36 10.772 -3.970 4.053 1.00 0.16 H new ATOM 0 HA ARG A 36 11.346 -1.405 4.973 1.00 0.19 H new ATOM 0 HB2 ARG A 36 12.740 -4.056 5.450 1.00 0.25 H new ATOM 0 HB3 ARG A 36 13.083 -2.594 6.354 1.00 0.25 H new ATOM 0 HG2 ARG A 36 10.574 -2.534 6.921 1.00 0.29 H new ATOM 0 HG3 ARG A 36 10.495 -4.164 6.283 1.00 0.29 H new ATOM 0 HD2 ARG A 36 12.133 -4.952 7.903 1.00 0.42 H new ATOM 0 HD3 ARG A 36 12.451 -3.317 8.450 1.00 0.42 H new ATOM 0 HE ARG A 36 9.723 -3.633 8.881 1.00 0.83 H new ATOM 0 HH11 ARG A 36 12.623 -5.434 9.798 1.00 1.53 H new ATOM 0 HH12 ARG A 36 11.937 -5.987 11.329 1.00 1.53 H new ATOM 0 HH21 ARG A 36 8.864 -4.311 10.872 1.00 1.74 H new ATOM 0 HH22 ARG A 36 9.815 -5.353 11.935 1.00 1.74 H new ATOM 644 N LYS A 37 13.751 -2.765 3.165 1.00 0.35 N ATOM 645 CA LYS A 37 14.965 -2.466 2.410 1.00 0.45 C ATOM 646 C LYS A 37 14.715 -1.371 1.371 1.00 0.40 C ATOM 647 O LYS A 37 15.651 -0.736 0.901 1.00 0.43 O ATOM 648 CB LYS A 37 15.489 -3.728 1.717 1.00 0.67 C ATOM 649 CG LYS A 37 14.567 -4.244 0.622 1.00 0.78 C ATOM 650 CD LYS A 37 15.102 -5.505 -0.036 1.00 1.04 C ATOM 651 CE LYS A 37 15.101 -6.685 0.921 1.00 0.85 C ATOM 652 NZ LYS A 37 15.475 -7.947 0.233 1.00 1.37 N ATOM 0 H LYS A 37 13.458 -3.741 3.121 1.00 0.35 H new ATOM 0 HA LYS A 37 15.714 -2.107 3.116 1.00 0.45 H new ATOM 0 HB2 LYS A 37 16.468 -3.517 1.288 1.00 0.67 H new ATOM 0 HB3 LYS A 37 15.629 -4.511 2.462 1.00 0.67 H new ATOM 0 HG2 LYS A 37 13.583 -4.447 1.044 1.00 0.78 H new ATOM 0 HG3 LYS A 37 14.436 -3.470 -0.134 1.00 0.78 H new ATOM 0 HD2 LYS A 37 14.495 -5.745 -0.909 1.00 1.04 H new ATOM 0 HD3 LYS A 37 16.117 -5.327 -0.392 1.00 1.04 H new ATOM 0 HE2 LYS A 37 15.799 -6.494 1.736 1.00 0.85 H new ATOM 0 HE3 LYS A 37 14.112 -6.792 1.367 1.00 0.85 H new ATOM 0 HZ1 LYS A 37 15.464 -8.731 0.916 1.00 1.37 H new ATOM 0 HZ2 LYS A 37 14.794 -8.142 -0.529 1.00 1.37 H new ATOM 0 HZ3 LYS A 37 16.429 -7.853 -0.171 1.00 1.37 H new ATOM 666 N LEU A 38 13.451 -1.171 1.012 1.00 0.45 N ATOM 667 CA LEU A 38 13.060 -0.114 0.090 1.00 0.61 C ATOM 668 C LEU A 38 12.719 1.145 0.848 1.00 0.60 C ATOM 669 O LEU A 38 12.962 2.239 0.384 1.00 0.76 O ATOM 670 CB LEU A 38 11.822 -0.513 -0.669 1.00 1.00 C ATOM 671 CG LEU A 38 11.913 -1.779 -1.472 1.00 0.27 C ATOM 672 CD1 LEU A 38 10.523 -2.348 -1.569 1.00 0.57 C ATOM 673 CD2 LEU A 38 12.496 -1.495 -2.845 1.00 0.44 C ATOM 0 H LEU A 38 12.672 -1.736 1.351 1.00 0.45 H new ATOM 0 HA LEU A 38 13.897 0.054 -0.588 1.00 0.61 H new ATOM 0 HB2 LEU A 38 11.003 -0.617 0.043 1.00 1.00 H new ATOM 0 HB3 LEU A 38 11.557 0.301 -1.343 1.00 1.00 H new ATOM 0 HG LEU A 38 12.576 -2.499 -0.993 1.00 0.27 H new ATOM 0 HD11 LEU A 38 10.547 -3.272 -2.147 1.00 0.57 H new ATOM 0 HD12 LEU A 38 10.144 -2.556 -0.568 1.00 0.57 H new ATOM 0 HD13 LEU A 38 9.869 -1.629 -2.062 1.00 0.57 H new ATOM 0 HD21 LEU A 38 12.555 -2.423 -3.414 1.00 0.44 H new ATOM 0 HD22 LEU A 38 11.857 -0.786 -3.372 1.00 0.44 H new ATOM 0 HD23 LEU A 38 13.495 -1.072 -2.736 1.00 0.44 H new ATOM 685 N ALA A 39 12.109 0.970 2.000 1.00 0.49 N ATOM 686 CA ALA A 39 11.608 2.081 2.780 1.00 0.59 C ATOM 687 C ALA A 39 12.722 3.031 3.170 1.00 0.57 C ATOM 688 O ALA A 39 12.645 4.229 2.897 1.00 0.72 O ATOM 689 CB ALA A 39 10.906 1.564 4.004 1.00 0.59 C ATOM 0 H ALA A 39 11.946 0.056 2.422 1.00 0.49 H new ATOM 0 HA ALA A 39 10.901 2.639 2.167 1.00 0.59 H new ATOM 0 HB1 ALA A 39 10.530 2.403 4.589 1.00 0.59 H new ATOM 0 HB2 ALA A 39 10.073 0.928 3.704 1.00 0.59 H new ATOM 0 HB3 ALA A 39 11.605 0.985 4.607 1.00 0.59 H new ATOM 695 N LEU A 40 13.769 2.510 3.799 1.00 0.44 N ATOM 696 CA LEU A 40 14.902 3.359 4.119 1.00 0.51 C ATOM 697 C LEU A 40 15.724 3.636 2.878 1.00 0.46 C ATOM 698 O LEU A 40 16.622 4.457 2.899 1.00 0.58 O ATOM 699 CB LEU A 40 15.786 2.832 5.283 1.00 0.56 C ATOM 700 CG LEU A 40 16.280 1.364 5.258 1.00 0.51 C ATOM 701 CD1 LEU A 40 15.207 0.421 5.762 1.00 0.48 C ATOM 702 CD2 LEU A 40 16.760 0.929 3.880 1.00 0.44 C ATOM 0 H LEU A 40 13.855 1.536 4.088 1.00 0.44 H new ATOM 0 HA LEU A 40 14.483 4.296 4.487 1.00 0.51 H new ATOM 0 HB2 LEU A 40 16.666 3.472 5.341 1.00 0.56 H new ATOM 0 HB3 LEU A 40 15.227 2.973 6.208 1.00 0.56 H new ATOM 0 HG LEU A 40 17.138 1.316 5.928 1.00 0.51 H new ATOM 0 HD11 LEU A 40 15.580 -0.603 5.734 1.00 0.48 H new ATOM 0 HD12 LEU A 40 14.944 0.683 6.787 1.00 0.48 H new ATOM 0 HD13 LEU A 40 14.324 0.503 5.128 1.00 0.48 H new ATOM 0 HD21 LEU A 40 17.094 -0.108 3.922 1.00 0.44 H new ATOM 0 HD22 LEU A 40 15.942 1.018 3.165 1.00 0.44 H new ATOM 0 HD23 LEU A 40 17.588 1.565 3.566 1.00 0.44 H new ATOM 714 N LYS A 41 15.397 2.953 1.794 1.00 0.37 N ATOM 715 CA LYS A 41 16.093 3.137 0.533 1.00 0.40 C ATOM 716 C LYS A 41 15.494 4.301 -0.243 1.00 0.39 C ATOM 717 O LYS A 41 16.202 5.124 -0.822 1.00 0.48 O ATOM 718 CB LYS A 41 15.968 1.863 -0.256 1.00 0.51 C ATOM 719 CG LYS A 41 16.213 2.000 -1.729 1.00 0.62 C ATOM 720 CD LYS A 41 15.640 0.793 -2.401 1.00 0.65 C ATOM 721 CE LYS A 41 15.883 0.793 -3.890 1.00 0.72 C ATOM 722 NZ LYS A 41 17.279 0.416 -4.237 1.00 1.41 N ATOM 0 H LYS A 41 14.648 2.261 1.763 1.00 0.37 H new ATOM 0 HA LYS A 41 17.143 3.367 0.715 1.00 0.40 H new ATOM 0 HB2 LYS A 41 16.671 1.134 0.147 1.00 0.51 H new ATOM 0 HB3 LYS A 41 14.967 1.458 -0.106 1.00 0.51 H new ATOM 0 HG2 LYS A 41 15.746 2.908 -2.111 1.00 0.62 H new ATOM 0 HG3 LYS A 41 17.281 2.080 -1.933 1.00 0.62 H new ATOM 0 HD2 LYS A 41 16.078 -0.105 -1.964 1.00 0.65 H new ATOM 0 HD3 LYS A 41 14.568 0.750 -2.211 1.00 0.65 H new ATOM 0 HE2 LYS A 41 15.192 0.098 -4.368 1.00 0.72 H new ATOM 0 HE3 LYS A 41 15.667 1.783 -4.291 1.00 0.72 H new ATOM 0 HZ1 LYS A 41 17.396 0.431 -5.270 1.00 1.41 H new ATOM 0 HZ2 LYS A 41 17.939 1.093 -3.804 1.00 1.41 H new ATOM 0 HZ3 LYS A 41 17.480 -0.540 -3.879 1.00 1.41 H new ATOM 736 N TYR A 42 14.177 4.366 -0.214 1.00 0.36 N ATOM 737 CA TYR A 42 13.423 5.341 -0.990 1.00 0.36 C ATOM 738 C TYR A 42 13.078 6.547 -0.133 1.00 0.40 C ATOM 739 O TYR A 42 12.251 7.378 -0.501 1.00 0.40 O ATOM 740 CB TYR A 42 12.157 4.692 -1.560 1.00 0.33 C ATOM 741 CG TYR A 42 12.393 3.966 -2.867 1.00 0.36 C ATOM 742 CD1 TYR A 42 12.373 4.632 -4.090 1.00 0.38 C ATOM 743 CD2 TYR A 42 12.640 2.600 -2.875 1.00 0.38 C ATOM 744 CE1 TYR A 42 12.590 3.956 -5.273 1.00 0.44 C ATOM 745 CE2 TYR A 42 12.856 1.919 -4.057 1.00 0.43 C ATOM 746 CZ TYR A 42 12.825 2.662 -5.287 1.00 0.45 C ATOM 747 OH TYR A 42 13.040 1.922 -6.430 1.00 0.52 O ATOM 0 H TYR A 42 13.595 3.745 0.348 1.00 0.36 H new ATOM 0 HA TYR A 42 14.038 5.684 -1.822 1.00 0.36 H new ATOM 0 HB2 TYR A 42 11.757 3.989 -0.829 1.00 0.33 H new ATOM 0 HB3 TYR A 42 11.399 5.461 -1.711 1.00 0.33 H new ATOM 0 HD1 TYR A 42 12.185 5.695 -4.113 1.00 0.38 H new ATOM 0 HD2 TYR A 42 12.664 2.060 -1.940 1.00 0.38 H new ATOM 0 HE1 TYR A 42 12.566 4.500 -6.206 1.00 0.44 H new ATOM 0 HE2 TYR A 42 13.043 0.855 -4.057 1.00 0.43 H new ATOM 0 HH TYR A 42 13.193 0.985 -6.189 1.00 0.52 H new ATOM 757 N HIS A 43 13.735 6.631 1.011 1.00 0.46 N ATOM 758 CA HIS A 43 13.555 7.743 1.928 1.00 0.53 C ATOM 759 C HIS A 43 14.169 9.016 1.338 1.00 0.56 C ATOM 760 O HIS A 43 15.385 9.091 1.157 1.00 0.62 O ATOM 761 CB HIS A 43 14.222 7.412 3.266 1.00 0.62 C ATOM 762 CG HIS A 43 13.594 8.093 4.445 1.00 0.71 C ATOM 763 ND1 HIS A 43 14.318 8.557 5.519 1.00 1.17 N ATOM 764 CD2 HIS A 43 12.296 8.356 4.731 1.00 0.87 C ATOM 765 CE1 HIS A 43 13.497 9.077 6.411 1.00 1.12 C ATOM 766 NE2 HIS A 43 12.263 8.968 5.959 1.00 0.87 N ATOM 0 H HIS A 43 14.406 5.932 1.330 1.00 0.46 H new ATOM 0 HA HIS A 43 12.490 7.910 2.086 1.00 0.53 H new ATOM 0 HB2 HIS A 43 14.187 6.334 3.421 1.00 0.62 H new ATOM 0 HB3 HIS A 43 15.274 7.693 3.215 1.00 0.62 H new ATOM 0 HD2 HIS A 43 11.444 8.126 4.108 1.00 0.87 H new ATOM 0 HE1 HIS A 43 13.787 9.518 7.353 1.00 1.12 H new ATOM 0 HE2 HIS A 43 11.423 9.286 6.442 1.00 0.87 H new ATOM 775 N PRO A 44 13.342 10.031 1.026 1.00 0.54 N ATOM 776 CA PRO A 44 13.805 11.309 0.450 1.00 0.58 C ATOM 777 C PRO A 44 14.841 12.006 1.323 1.00 0.68 C ATOM 778 O PRO A 44 15.592 12.852 0.851 1.00 0.72 O ATOM 779 CB PRO A 44 12.536 12.160 0.365 1.00 0.58 C ATOM 780 CG PRO A 44 11.555 11.479 1.260 1.00 0.57 C ATOM 781 CD PRO A 44 11.883 10.019 1.192 1.00 0.51 C ATOM 0 HA PRO A 44 14.295 11.152 -0.511 1.00 0.58 H new ATOM 0 HB2 PRO A 44 12.724 13.183 0.691 1.00 0.58 H new ATOM 0 HB3 PRO A 44 12.165 12.215 -0.658 1.00 0.58 H new ATOM 0 HG2 PRO A 44 11.635 11.850 2.282 1.00 0.57 H new ATOM 0 HG3 PRO A 44 10.532 11.665 0.932 1.00 0.57 H new ATOM 0 HD2 PRO A 44 11.581 9.492 2.097 1.00 0.51 H new ATOM 0 HD3 PRO A 44 11.383 9.529 0.357 1.00 0.51 H new ATOM 789 N ASP A 45 14.871 11.654 2.598 1.00 0.74 N ATOM 790 CA ASP A 45 15.881 12.169 3.514 1.00 0.85 C ATOM 791 C ASP A 45 17.286 11.810 3.028 1.00 0.89 C ATOM 792 O ASP A 45 18.240 12.556 3.247 1.00 0.96 O ATOM 793 CB ASP A 45 15.632 11.619 4.917 1.00 0.92 C ATOM 794 CG ASP A 45 16.701 12.030 5.915 1.00 1.06 C ATOM 795 OD1 ASP A 45 16.795 13.236 6.224 1.00 1.11 O ATOM 796 OD2 ASP A 45 17.462 11.157 6.381 1.00 1.16 O ATOM 0 H ASP A 45 14.205 11.011 3.026 1.00 0.74 H new ATOM 0 HA ASP A 45 15.809 13.256 3.546 1.00 0.85 H new ATOM 0 HB2 ASP A 45 14.661 11.966 5.270 1.00 0.92 H new ATOM 0 HB3 ASP A 45 15.585 10.531 4.871 1.00 0.92 H new ATOM 801 N LYS A 46 17.405 10.674 2.345 1.00 0.87 N ATOM 802 CA LYS A 46 18.672 10.293 1.726 1.00 0.94 C ATOM 803 C LYS A 46 18.687 10.743 0.280 1.00 0.90 C ATOM 804 O LYS A 46 19.746 10.900 -0.329 1.00 0.99 O ATOM 805 CB LYS A 46 18.886 8.782 1.727 1.00 1.00 C ATOM 806 CG LYS A 46 18.140 8.018 2.793 1.00 1.04 C ATOM 807 CD LYS A 46 18.612 6.575 2.854 1.00 1.13 C ATOM 808 CE LYS A 46 18.660 5.918 1.477 1.00 1.57 C ATOM 809 NZ LYS A 46 20.018 5.958 0.868 1.00 2.08 N ATOM 0 H LYS A 46 16.647 10.006 2.207 1.00 0.87 H new ATOM 0 HA LYS A 46 19.461 10.768 2.309 1.00 0.94 H new ATOM 0 HB2 LYS A 46 18.593 8.391 0.753 1.00 1.00 H new ATOM 0 HB3 LYS A 46 19.952 8.584 1.842 1.00 1.00 H new ATOM 0 HG2 LYS A 46 18.290 8.496 3.761 1.00 1.04 H new ATOM 0 HG3 LYS A 46 17.070 8.047 2.586 1.00 1.04 H new ATOM 0 HD2 LYS A 46 19.604 6.539 3.305 1.00 1.13 H new ATOM 0 HD3 LYS A 46 17.946 6.005 3.502 1.00 1.13 H new ATOM 0 HE2 LYS A 46 18.335 4.881 1.562 1.00 1.57 H new ATOM 0 HE3 LYS A 46 17.954 6.420 0.815 1.00 1.57 H new ATOM 0 HZ1 LYS A 46 19.952 6.326 -0.103 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 20.633 6.578 1.432 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 20.418 4.998 0.848 1.00 2.08 H new ATOM 823 N ASN A 47 17.498 10.951 -0.261 1.00 0.79 N ATOM 824 CA ASN A 47 17.338 11.207 -1.679 1.00 0.77 C ATOM 825 C ASN A 47 16.615 12.527 -1.909 1.00 0.74 C ATOM 826 O ASN A 47 15.424 12.552 -2.227 1.00 0.66 O ATOM 827 CB ASN A 47 16.561 10.074 -2.350 1.00 0.69 C ATOM 828 CG ASN A 47 17.161 8.699 -2.097 1.00 0.74 C ATOM 829 OD1 ASN A 47 17.973 8.214 -2.882 1.00 0.83 O ATOM 830 ND2 ASN A 47 16.767 8.066 -0.997 1.00 0.71 N ATOM 0 H ASN A 47 16.625 10.947 0.266 1.00 0.79 H new ATOM 0 HA ASN A 47 18.333 11.265 -2.121 1.00 0.77 H new ATOM 0 HB2 ASN A 47 15.532 10.085 -1.990 1.00 0.69 H new ATOM 0 HB3 ASN A 47 16.525 10.255 -3.424 1.00 0.69 H new ATOM 0 HD21 ASN A 47 17.141 7.142 -0.778 1.00 0.71 H new ATOM 0 HD22 ASN A 47 16.091 8.504 -0.371 1.00 0.71 H new ATOM 837 N PRO A 48 17.319 13.639 -1.697 1.00 0.82 N ATOM 838 CA PRO A 48 16.807 14.978 -1.976 1.00 0.84 C ATOM 839 C PRO A 48 16.638 15.199 -3.468 1.00 0.84 C ATOM 840 O PRO A 48 17.235 14.477 -4.275 1.00 0.86 O ATOM 841 CB PRO A 48 17.898 15.898 -1.423 1.00 0.93 C ATOM 842 CG PRO A 48 19.134 15.073 -1.483 1.00 0.99 C ATOM 843 CD PRO A 48 18.684 13.679 -1.164 1.00 0.92 C ATOM 0 HA PRO A 48 15.827 15.153 -1.533 1.00 0.84 H new ATOM 0 HB2 PRO A 48 17.995 16.805 -2.020 1.00 0.93 H new ATOM 0 HB3 PRO A 48 17.676 16.210 -0.402 1.00 0.93 H new ATOM 0 HG2 PRO A 48 19.595 15.123 -2.470 1.00 0.99 H new ATOM 0 HG3 PRO A 48 19.877 15.422 -0.766 1.00 0.99 H new ATOM 0 HD2 PRO A 48 19.323 12.932 -1.635 1.00 0.92 H new ATOM 0 HD3 PRO A 48 18.704 13.485 -0.092 1.00 0.92 H new ATOM 851 N ASP A 49 15.807 16.174 -3.829 1.00 0.85 N ATOM 852 CA ASP A 49 15.523 16.480 -5.230 1.00 0.89 C ATOM 853 C ASP A 49 14.749 15.327 -5.872 1.00 0.82 C ATOM 854 O ASP A 49 14.581 15.258 -7.089 1.00 0.88 O ATOM 855 CB ASP A 49 16.830 16.768 -5.989 1.00 0.98 C ATOM 856 CG ASP A 49 16.620 17.134 -7.444 1.00 1.08 C ATOM 857 OD1 ASP A 49 16.013 18.192 -7.719 1.00 1.20 O ATOM 858 OD2 ASP A 49 17.080 16.371 -8.320 1.00 1.09 O ATOM 0 H ASP A 49 15.314 16.771 -3.164 1.00 0.85 H new ATOM 0 HA ASP A 49 14.903 17.375 -5.282 1.00 0.89 H new ATOM 0 HB2 ASP A 49 17.357 17.582 -5.491 1.00 0.98 H new ATOM 0 HB3 ASP A 49 17.473 15.890 -5.933 1.00 0.98 H new ATOM 863 N ASN A 50 14.240 14.435 -5.036 1.00 0.74 N ATOM 864 CA ASN A 50 13.503 13.283 -5.517 1.00 0.68 C ATOM 865 C ASN A 50 12.176 13.160 -4.775 1.00 0.64 C ATOM 866 O ASN A 50 12.057 12.409 -3.805 1.00 0.61 O ATOM 867 CB ASN A 50 14.321 12.000 -5.340 1.00 0.65 C ATOM 868 CG ASN A 50 13.804 10.857 -6.185 1.00 0.64 C ATOM 869 OD1 ASN A 50 12.650 10.848 -6.611 1.00 0.83 O ATOM 870 ND2 ASN A 50 14.649 9.871 -6.414 1.00 0.74 N ATOM 0 H ASN A 50 14.325 14.489 -4.021 1.00 0.74 H new ATOM 0 HA ASN A 50 13.307 13.424 -6.580 1.00 0.68 H new ATOM 0 HB2 ASN A 50 15.361 12.198 -5.601 1.00 0.65 H new ATOM 0 HB3 ASN A 50 14.306 11.706 -4.290 1.00 0.65 H new ATOM 0 HD21 ASN A 50 14.354 9.063 -6.962 1.00 0.74 H new ATOM 0 HD22 ASN A 50 15.598 9.916 -6.043 1.00 0.74 H new ATOM 877 N PRO A 51 11.164 13.925 -5.206 1.00 0.67 N ATOM 878 CA PRO A 51 9.819 13.847 -4.640 1.00 0.68 C ATOM 879 C PRO A 51 9.155 12.538 -5.027 1.00 0.66 C ATOM 880 O PRO A 51 8.257 12.042 -4.347 1.00 0.67 O ATOM 881 CB PRO A 51 9.066 15.020 -5.272 1.00 0.78 C ATOM 882 CG PRO A 51 10.082 15.817 -6.019 1.00 0.79 C ATOM 883 CD PRO A 51 11.256 14.920 -6.275 1.00 0.73 C ATOM 0 HA PRO A 51 9.828 13.891 -3.551 1.00 0.68 H new ATOM 0 HB2 PRO A 51 8.283 14.664 -5.941 1.00 0.78 H new ATOM 0 HB3 PRO A 51 8.581 15.627 -4.508 1.00 0.78 H new ATOM 0 HG2 PRO A 51 9.667 16.184 -6.958 1.00 0.79 H new ATOM 0 HG3 PRO A 51 10.385 16.690 -5.442 1.00 0.79 H new ATOM 0 HD2 PRO A 51 11.200 14.457 -7.260 1.00 0.73 H new ATOM 0 HD3 PRO A 51 12.197 15.468 -6.233 1.00 0.73 H new ATOM 891 N GLU A 52 9.617 11.995 -6.142 1.00 0.66 N ATOM 892 CA GLU A 52 9.136 10.722 -6.650 1.00 0.67 C ATOM 893 C GLU A 52 9.491 9.594 -5.690 1.00 0.57 C ATOM 894 O GLU A 52 8.759 8.615 -5.582 1.00 0.56 O ATOM 895 CB GLU A 52 9.740 10.453 -8.025 1.00 0.72 C ATOM 896 CG GLU A 52 9.578 11.625 -8.973 1.00 0.95 C ATOM 897 CD GLU A 52 10.133 11.350 -10.352 1.00 1.28 C ATOM 898 OE1 GLU A 52 11.344 11.565 -10.562 1.00 1.66 O ATOM 899 OE2 GLU A 52 9.363 10.911 -11.230 1.00 1.53 O ATOM 0 H GLU A 52 10.338 12.426 -6.721 1.00 0.66 H new ATOM 0 HA GLU A 52 8.051 10.768 -6.739 1.00 0.67 H new ATOM 0 HB2 GLU A 52 10.800 10.225 -7.914 1.00 0.72 H new ATOM 0 HB3 GLU A 52 9.268 9.572 -8.459 1.00 0.72 H new ATOM 0 HG2 GLU A 52 8.520 11.874 -9.056 1.00 0.95 H new ATOM 0 HG3 GLU A 52 10.079 12.497 -8.553 1.00 0.95 H new ATOM 906 N ALA A 53 10.613 9.745 -4.992 1.00 0.53 N ATOM 907 CA ALA A 53 11.036 8.766 -3.994 1.00 0.46 C ATOM 908 C ALA A 53 9.962 8.586 -2.928 1.00 0.42 C ATOM 909 O ALA A 53 9.689 7.470 -2.497 1.00 0.37 O ATOM 910 CB ALA A 53 12.356 9.181 -3.356 1.00 0.47 C ATOM 0 H ALA A 53 11.247 10.537 -5.099 1.00 0.53 H new ATOM 0 HA ALA A 53 11.184 7.811 -4.498 1.00 0.46 H new ATOM 0 HB1 ALA A 53 12.652 8.438 -2.616 1.00 0.47 H new ATOM 0 HB2 ALA A 53 13.125 9.254 -4.125 1.00 0.47 H new ATOM 0 HB3 ALA A 53 12.237 10.149 -2.870 1.00 0.47 H new ATOM 916 N ALA A 54 9.349 9.694 -2.518 1.00 0.45 N ATOM 917 CA ALA A 54 8.233 9.660 -1.577 1.00 0.44 C ATOM 918 C ALA A 54 7.089 8.816 -2.122 1.00 0.43 C ATOM 919 O ALA A 54 6.453 8.056 -1.394 1.00 0.41 O ATOM 920 CB ALA A 54 7.739 11.068 -1.305 1.00 0.51 C ATOM 0 H ALA A 54 9.609 10.631 -2.825 1.00 0.45 H new ATOM 0 HA ALA A 54 8.586 9.212 -0.648 1.00 0.44 H new ATOM 0 HB1 ALA A 54 6.907 11.032 -0.602 1.00 0.51 H new ATOM 0 HB2 ALA A 54 8.548 11.662 -0.879 1.00 0.51 H new ATOM 0 HB3 ALA A 54 7.407 11.524 -2.238 1.00 0.51 H new ATOM 926 N ASP A 55 6.844 8.956 -3.415 1.00 0.46 N ATOM 927 CA ASP A 55 5.766 8.239 -4.081 1.00 0.47 C ATOM 928 C ASP A 55 6.097 6.753 -4.174 1.00 0.39 C ATOM 929 O ASP A 55 5.243 5.900 -3.931 1.00 0.36 O ATOM 930 CB ASP A 55 5.533 8.834 -5.469 1.00 0.57 C ATOM 931 CG ASP A 55 4.344 8.220 -6.185 1.00 0.63 C ATOM 932 OD1 ASP A 55 4.520 7.191 -6.867 1.00 0.66 O ATOM 933 OD2 ASP A 55 3.227 8.777 -6.086 1.00 0.72 O ATOM 0 H ASP A 55 7.383 9.566 -4.030 1.00 0.46 H new ATOM 0 HA ASP A 55 4.851 8.344 -3.499 1.00 0.47 H new ATOM 0 HB2 ASP A 55 5.379 9.909 -5.376 1.00 0.57 H new ATOM 0 HB3 ASP A 55 6.428 8.691 -6.074 1.00 0.57 H new ATOM 938 N LYS A 56 7.348 6.450 -4.515 1.00 0.39 N ATOM 939 CA LYS A 56 7.839 5.077 -4.494 1.00 0.34 C ATOM 940 C LYS A 56 7.715 4.500 -3.092 1.00 0.28 C ATOM 941 O LYS A 56 7.276 3.368 -2.905 1.00 0.26 O ATOM 942 CB LYS A 56 9.305 5.028 -4.905 1.00 0.38 C ATOM 943 CG LYS A 56 9.639 5.811 -6.160 1.00 0.48 C ATOM 944 CD LYS A 56 9.481 4.984 -7.422 1.00 0.64 C ATOM 945 CE LYS A 56 8.025 4.687 -7.745 1.00 0.83 C ATOM 946 NZ LYS A 56 7.884 3.907 -9.001 1.00 0.98 N ATOM 0 H LYS A 56 8.040 7.139 -4.809 1.00 0.39 H new ATOM 0 HA LYS A 56 7.241 4.494 -5.195 1.00 0.34 H new ATOM 0 HB2 LYS A 56 9.911 5.409 -4.083 1.00 0.38 H new ATOM 0 HB3 LYS A 56 9.591 3.987 -5.056 1.00 0.38 H new ATOM 0 HG2 LYS A 56 8.993 6.687 -6.220 1.00 0.48 H new ATOM 0 HG3 LYS A 56 10.664 6.175 -6.095 1.00 0.48 H new ATOM 0 HD2 LYS A 56 9.935 5.514 -8.259 1.00 0.64 H new ATOM 0 HD3 LYS A 56 10.023 4.045 -7.308 1.00 0.64 H new ATOM 0 HE2 LYS A 56 7.576 4.132 -6.921 1.00 0.83 H new ATOM 0 HE3 LYS A 56 7.475 5.624 -7.836 1.00 0.83 H new ATOM 0 HZ1 LYS A 56 6.877 3.725 -9.186 1.00 0.98 H new ATOM 0 HZ2 LYS A 56 8.289 4.447 -9.792 1.00 0.98 H new ATOM 0 HZ3 LYS A 56 8.387 3.002 -8.906 1.00 0.98 H new ATOM 960 N PHE A 57 8.097 5.306 -2.110 1.00 0.27 N ATOM 961 CA PHE A 57 8.037 4.911 -0.711 1.00 0.24 C ATOM 962 C PHE A 57 6.601 4.616 -0.309 1.00 0.24 C ATOM 963 O PHE A 57 6.344 3.824 0.588 1.00 0.26 O ATOM 964 CB PHE A 57 8.624 6.017 0.177 1.00 0.27 C ATOM 965 CG PHE A 57 8.467 5.762 1.649 1.00 0.27 C ATOM 966 CD1 PHE A 57 9.305 4.879 2.307 1.00 0.31 C ATOM 967 CD2 PHE A 57 7.475 6.406 2.373 1.00 0.30 C ATOM 968 CE1 PHE A 57 9.157 4.641 3.659 1.00 0.36 C ATOM 969 CE2 PHE A 57 7.323 6.171 3.725 1.00 0.34 C ATOM 970 CZ PHE A 57 8.165 5.287 4.369 1.00 0.37 C ATOM 0 H PHE A 57 8.456 6.249 -2.261 1.00 0.27 H new ATOM 0 HA PHE A 57 8.628 4.005 -0.576 1.00 0.24 H new ATOM 0 HB2 PHE A 57 9.684 6.129 -0.052 1.00 0.27 H new ATOM 0 HB3 PHE A 57 8.143 6.963 -0.071 1.00 0.27 H new ATOM 0 HD1 PHE A 57 10.083 4.371 1.757 1.00 0.31 H new ATOM 0 HD2 PHE A 57 6.814 7.099 1.874 1.00 0.30 H new ATOM 0 HE1 PHE A 57 9.817 3.949 4.161 1.00 0.36 H new ATOM 0 HE2 PHE A 57 6.546 6.678 4.278 1.00 0.34 H new ATOM 0 HZ PHE A 57 8.048 5.101 5.426 1.00 0.37 H new ATOM 980 N LYS A 58 5.677 5.238 -1.007 1.00 0.26 N ATOM 981 CA LYS A 58 4.266 5.118 -0.709 1.00 0.28 C ATOM 982 C LYS A 58 3.666 3.836 -1.300 1.00 0.26 C ATOM 983 O LYS A 58 2.836 3.188 -0.661 1.00 0.29 O ATOM 984 CB LYS A 58 3.568 6.381 -1.213 1.00 0.32 C ATOM 985 CG LYS A 58 2.174 6.176 -1.781 1.00 0.36 C ATOM 986 CD LYS A 58 1.489 7.509 -2.045 1.00 0.52 C ATOM 987 CE LYS A 58 2.397 8.462 -2.809 1.00 0.79 C ATOM 988 NZ LYS A 58 1.740 9.769 -3.070 1.00 1.41 N ATOM 0 H LYS A 58 5.883 5.844 -1.801 1.00 0.26 H new ATOM 0 HA LYS A 58 4.117 5.032 0.367 1.00 0.28 H new ATOM 0 HB2 LYS A 58 3.505 7.093 -0.390 1.00 0.32 H new ATOM 0 HB3 LYS A 58 4.191 6.837 -1.982 1.00 0.32 H new ATOM 0 HG2 LYS A 58 2.236 5.605 -2.708 1.00 0.36 H new ATOM 0 HG3 LYS A 58 1.577 5.588 -1.084 1.00 0.36 H new ATOM 0 HD2 LYS A 58 0.574 7.343 -2.613 1.00 0.52 H new ATOM 0 HD3 LYS A 58 1.198 7.963 -1.098 1.00 0.52 H new ATOM 0 HE2 LYS A 58 3.313 8.624 -2.241 1.00 0.79 H new ATOM 0 HE3 LYS A 58 2.686 8.006 -3.756 1.00 0.79 H new ATOM 0 HZ1 LYS A 58 2.393 10.388 -3.592 1.00 1.41 H new ATOM 0 HZ2 LYS A 58 0.880 9.618 -3.635 1.00 1.41 H new ATOM 0 HZ3 LYS A 58 1.487 10.217 -2.166 1.00 1.41 H new ATOM 1002 N GLU A 59 4.095 3.452 -2.500 1.00 0.25 N ATOM 1003 CA GLU A 59 3.620 2.203 -3.099 1.00 0.24 C ATOM 1004 C GLU A 59 4.245 0.999 -2.407 1.00 0.23 C ATOM 1005 O GLU A 59 3.584 -0.020 -2.197 1.00 0.25 O ATOM 1006 CB GLU A 59 3.898 2.154 -4.606 1.00 0.28 C ATOM 1007 CG GLU A 59 5.316 2.521 -5.001 1.00 0.32 C ATOM 1008 CD GLU A 59 5.559 2.353 -6.484 1.00 0.40 C ATOM 1009 OE1 GLU A 59 4.794 2.929 -7.283 1.00 0.54 O ATOM 1010 OE2 GLU A 59 6.518 1.649 -6.862 1.00 0.51 O ATOM 0 H GLU A 59 4.759 3.976 -3.070 1.00 0.25 H new ATOM 0 HA GLU A 59 2.540 2.167 -2.958 1.00 0.24 H new ATOM 0 HB2 GLU A 59 3.683 1.149 -4.969 1.00 0.28 H new ATOM 0 HB3 GLU A 59 3.208 2.830 -5.111 1.00 0.28 H new ATOM 0 HG2 GLU A 59 5.514 3.555 -4.717 1.00 0.32 H new ATOM 0 HG3 GLU A 59 6.018 1.898 -4.447 1.00 0.32 H new ATOM 1017 N ILE A 60 5.514 1.115 -2.042 1.00 0.23 N ATOM 1018 CA ILE A 60 6.180 0.049 -1.308 1.00 0.24 C ATOM 1019 C ILE A 60 5.600 -0.032 0.094 1.00 0.24 C ATOM 1020 O ILE A 60 5.487 -1.110 0.676 1.00 0.27 O ATOM 1021 CB ILE A 60 7.710 0.257 -1.250 1.00 0.26 C ATOM 1022 CG1 ILE A 60 8.055 1.541 -0.497 1.00 0.24 C ATOM 1023 CG2 ILE A 60 8.274 0.299 -2.656 1.00 0.29 C ATOM 1024 CD1 ILE A 60 9.525 1.905 -0.515 1.00 0.28 C ATOM 0 H ILE A 60 6.098 1.928 -2.240 1.00 0.23 H new ATOM 0 HA ILE A 60 6.006 -0.890 -1.834 1.00 0.24 H new ATOM 0 HB ILE A 60 8.157 -0.579 -0.712 1.00 0.26 H new ATOM 0 HG12 ILE A 60 7.485 2.364 -0.928 1.00 0.24 H new ATOM 0 HG13 ILE A 60 7.732 1.437 0.539 1.00 0.24 H new ATOM 0 HG21 ILE A 60 9.353 0.446 -2.611 1.00 0.29 H new ATOM 0 HG22 ILE A 60 8.057 -0.641 -3.163 1.00 0.29 H new ATOM 0 HG23 ILE A 60 7.819 1.122 -3.206 1.00 0.29 H new ATOM 0 HD11 ILE A 60 9.678 2.829 0.043 1.00 0.28 H new ATOM 0 HD12 ILE A 60 10.104 1.104 -0.056 1.00 0.28 H new ATOM 0 HD13 ILE A 60 9.853 2.045 -1.545 1.00 0.28 H new ATOM 1036 N ASN A 61 5.189 1.128 0.600 1.00 0.24 N ATOM 1037 CA ASN A 61 4.530 1.237 1.893 1.00 0.28 C ATOM 1038 C ASN A 61 3.207 0.476 1.863 1.00 0.29 C ATOM 1039 O ASN A 61 2.691 0.052 2.896 1.00 0.36 O ATOM 1040 CB ASN A 61 4.288 2.717 2.210 1.00 0.36 C ATOM 1041 CG ASN A 61 3.665 2.964 3.567 1.00 0.51 C ATOM 1042 OD1 ASN A 61 4.368 3.079 4.574 1.00 0.62 O ATOM 1043 ND2 ASN A 61 2.348 3.080 3.598 1.00 0.60 N ATOM 0 H ASN A 61 5.305 2.021 0.121 1.00 0.24 H new ATOM 0 HA ASN A 61 5.162 0.804 2.668 1.00 0.28 H new ATOM 0 HB2 ASN A 61 5.238 3.249 2.156 1.00 0.36 H new ATOM 0 HB3 ASN A 61 3.641 3.141 1.442 1.00 0.36 H new ATOM 0 HD21 ASN A 61 1.874 3.272 4.480 1.00 0.60 H new ATOM 0 HD22 ASN A 61 1.807 2.977 2.740 1.00 0.60 H new ATOM 1050 N ASN A 62 2.683 0.306 0.653 1.00 0.25 N ATOM 1051 CA ASN A 62 1.417 -0.380 0.429 1.00 0.27 C ATOM 1052 C ASN A 62 1.615 -1.886 0.367 1.00 0.22 C ATOM 1053 O ASN A 62 1.082 -2.618 1.185 1.00 0.20 O ATOM 1054 CB ASN A 62 0.804 0.069 -0.887 1.00 0.32 C ATOM 1055 CG ASN A 62 -0.634 -0.355 -1.023 1.00 0.36 C ATOM 1056 OD1 ASN A 62 -1.538 0.409 -0.729 1.00 0.77 O ATOM 1057 ND2 ASN A 62 -0.849 -1.584 -1.459 1.00 0.21 N ATOM 0 H ASN A 62 3.127 0.642 -0.202 1.00 0.25 H new ATOM 0 HA ASN A 62 0.759 -0.132 1.261 1.00 0.27 H new ATOM 0 HB2 ASN A 62 0.869 1.154 -0.964 1.00 0.32 H new ATOM 0 HB3 ASN A 62 1.382 -0.344 -1.714 1.00 0.32 H new ATOM 0 HD21 ASN A 62 -1.803 -1.929 -1.562 1.00 0.21 H new ATOM 0 HD22 ASN A 62 -0.061 -2.187 -1.693 1.00 0.21 H new ATOM 1064 N ALA A 63 2.396 -2.341 -0.620 1.00 0.20 N ATOM 1065 CA ALA A 63 2.552 -3.772 -0.899 1.00 0.18 C ATOM 1066 C ALA A 63 3.125 -4.528 0.298 1.00 0.14 C ATOM 1067 O ALA A 63 3.063 -5.755 0.359 1.00 0.14 O ATOM 1068 CB ALA A 63 3.438 -3.970 -2.117 1.00 0.19 C ATOM 0 H ALA A 63 2.932 -1.735 -1.241 1.00 0.20 H new ATOM 0 HA ALA A 63 1.561 -4.180 -1.099 1.00 0.18 H new ATOM 0 HB1 ALA A 63 3.549 -5.036 -2.317 1.00 0.19 H new ATOM 0 HB2 ALA A 63 2.984 -3.484 -2.980 1.00 0.19 H new ATOM 0 HB3 ALA A 63 4.418 -3.533 -1.929 1.00 0.19 H new ATOM 1074 N HIS A 64 3.666 -3.763 1.233 1.00 0.13 N ATOM 1075 CA HIS A 64 4.295 -4.263 2.449 1.00 0.11 C ATOM 1076 C HIS A 64 3.554 -5.459 3.080 1.00 0.13 C ATOM 1077 O HIS A 64 4.141 -6.522 3.258 1.00 0.20 O ATOM 1078 CB HIS A 64 4.407 -3.082 3.427 1.00 0.15 C ATOM 1079 CG HIS A 64 4.520 -3.442 4.874 1.00 0.37 C ATOM 1080 ND1 HIS A 64 3.518 -3.184 5.779 1.00 1.02 N ATOM 1081 CD2 HIS A 64 5.524 -4.012 5.580 1.00 1.02 C ATOM 1082 CE1 HIS A 64 3.897 -3.571 6.976 1.00 1.00 C ATOM 1083 NE2 HIS A 64 5.109 -4.080 6.883 1.00 0.96 N ATOM 0 H HIS A 64 3.681 -2.745 1.166 1.00 0.13 H new ATOM 0 HA HIS A 64 5.281 -4.657 2.201 1.00 0.11 H new ATOM 0 HB2 HIS A 64 5.278 -2.488 3.151 1.00 0.15 H new ATOM 0 HB3 HIS A 64 3.532 -2.444 3.298 1.00 0.15 H new ATOM 0 HD1 HIS A 64 2.619 -2.758 5.556 1.00 1.02 H new ATOM 0 HD2 HIS A 64 6.473 -4.349 5.190 1.00 1.02 H new ATOM 0 HE1 HIS A 64 3.315 -3.486 7.882 1.00 1.00 H new ATOM 1092 N ALA A 65 2.293 -5.285 3.452 1.00 0.14 N ATOM 1093 CA ALA A 65 1.552 -6.350 4.125 1.00 0.17 C ATOM 1094 C ALA A 65 0.766 -7.237 3.159 1.00 0.13 C ATOM 1095 O ALA A 65 0.651 -8.443 3.377 1.00 0.14 O ATOM 1096 CB ALA A 65 0.615 -5.764 5.168 1.00 0.25 C ATOM 0 H ALA A 65 1.763 -4.426 3.302 1.00 0.14 H new ATOM 0 HA ALA A 65 2.294 -6.986 4.608 1.00 0.17 H new ATOM 0 HB1 ALA A 65 0.070 -6.569 5.661 1.00 0.25 H new ATOM 0 HB2 ALA A 65 1.194 -5.212 5.908 1.00 0.25 H new ATOM 0 HB3 ALA A 65 -0.092 -5.090 4.684 1.00 0.25 H new ATOM 1102 N ILE A 66 0.252 -6.637 2.090 1.00 0.13 N ATOM 1103 CA ILE A 66 -0.763 -7.274 1.232 1.00 0.12 C ATOM 1104 C ILE A 66 -0.354 -8.662 0.746 1.00 0.13 C ATOM 1105 O ILE A 66 -1.173 -9.575 0.679 1.00 0.21 O ATOM 1106 CB ILE A 66 -1.070 -6.442 -0.026 1.00 0.13 C ATOM 1107 CG1 ILE A 66 -0.622 -4.985 0.121 1.00 0.14 C ATOM 1108 CG2 ILE A 66 -2.556 -6.510 -0.331 1.00 0.13 C ATOM 1109 CD1 ILE A 66 -1.406 -4.187 1.129 1.00 0.14 C ATOM 0 H ILE A 66 0.520 -5.700 1.788 1.00 0.13 H new ATOM 0 HA ILE A 66 -1.641 -7.348 1.874 1.00 0.12 H new ATOM 0 HB ILE A 66 -0.504 -6.868 -0.855 1.00 0.13 H new ATOM 0 HG12 ILE A 66 0.431 -4.969 0.404 1.00 0.14 H new ATOM 0 HG13 ILE A 66 -0.699 -4.495 -0.850 1.00 0.14 H new ATOM 0 HG21 ILE A 66 -2.772 -5.920 -1.222 1.00 0.13 H new ATOM 0 HG22 ILE A 66 -2.845 -7.547 -0.503 1.00 0.13 H new ATOM 0 HG23 ILE A 66 -3.119 -6.112 0.513 1.00 0.13 H new ATOM 0 HD11 ILE A 66 -1.020 -3.168 1.166 1.00 0.14 H new ATOM 0 HD12 ILE A 66 -2.457 -4.167 0.839 1.00 0.14 H new ATOM 0 HD13 ILE A 66 -1.310 -4.648 2.112 1.00 0.14 H new ATOM 1121 N LEU A 67 0.906 -8.795 0.388 1.00 0.12 N ATOM 1122 CA LEU A 67 1.412 -9.994 -0.275 1.00 0.14 C ATOM 1123 C LEU A 67 1.210 -11.246 0.564 1.00 0.16 C ATOM 1124 O LEU A 67 0.879 -12.312 0.043 1.00 0.21 O ATOM 1125 CB LEU A 67 2.894 -9.809 -0.571 1.00 0.15 C ATOM 1126 CG LEU A 67 3.264 -8.419 -1.074 1.00 0.14 C ATOM 1127 CD1 LEU A 67 4.722 -8.361 -1.474 1.00 0.16 C ATOM 1128 CD2 LEU A 67 2.357 -8.022 -2.229 1.00 0.16 C ATOM 0 H LEU A 67 1.614 -8.078 0.546 1.00 0.12 H new ATOM 0 HA LEU A 67 0.849 -10.130 -1.199 1.00 0.14 H new ATOM 0 HB2 LEU A 67 3.462 -10.018 0.335 1.00 0.15 H new ATOM 0 HB3 LEU A 67 3.199 -10.545 -1.315 1.00 0.15 H new ATOM 0 HG LEU A 67 3.119 -7.704 -0.265 1.00 0.14 H new ATOM 0 HD11 LEU A 67 4.962 -7.359 -1.830 1.00 0.16 H new ATOM 0 HD12 LEU A 67 5.345 -8.599 -0.612 1.00 0.16 H new ATOM 0 HD13 LEU A 67 4.910 -9.083 -2.269 1.00 0.16 H new ATOM 0 HD21 LEU A 67 2.630 -7.027 -2.581 1.00 0.16 H new ATOM 0 HD22 LEU A 67 2.470 -8.738 -3.043 1.00 0.16 H new ATOM 0 HD23 LEU A 67 1.320 -8.016 -1.892 1.00 0.16 H new ATOM 1140 N THR A 68 1.407 -11.106 1.857 1.00 0.15 N ATOM 1141 CA THR A 68 1.343 -12.233 2.765 1.00 0.18 C ATOM 1142 C THR A 68 0.077 -12.186 3.621 1.00 0.18 C ATOM 1143 O THR A 68 -0.343 -13.201 4.176 1.00 0.23 O ATOM 1144 CB THR A 68 2.599 -12.255 3.664 1.00 0.21 C ATOM 1145 OG1 THR A 68 2.515 -13.291 4.653 1.00 0.27 O ATOM 1146 CG2 THR A 68 2.792 -10.901 4.330 1.00 0.20 C ATOM 0 H THR A 68 1.615 -10.215 2.307 1.00 0.15 H new ATOM 0 HA THR A 68 1.309 -13.147 2.172 1.00 0.18 H new ATOM 0 HB THR A 68 3.462 -12.466 3.032 1.00 0.21 H new ATOM 0 HG1 THR A 68 3.324 -13.282 5.206 1.00 0.27 H new ATOM 0 HG21 THR A 68 3.680 -10.929 4.961 1.00 0.20 H new ATOM 0 HG22 THR A 68 2.914 -10.134 3.566 1.00 0.20 H new ATOM 0 HG23 THR A 68 1.920 -10.669 4.941 1.00 0.20 H new ATOM 1154 N ASP A 69 -0.538 -11.015 3.711 1.00 0.17 N ATOM 1155 CA ASP A 69 -1.708 -10.843 4.563 1.00 0.19 C ATOM 1156 C ASP A 69 -3.003 -10.961 3.772 1.00 0.17 C ATOM 1157 O ASP A 69 -3.222 -10.239 2.796 1.00 0.19 O ATOM 1158 CB ASP A 69 -1.666 -9.496 5.274 1.00 0.21 C ATOM 1159 CG ASP A 69 -2.756 -9.390 6.314 1.00 0.27 C ATOM 1160 OD1 ASP A 69 -2.526 -9.805 7.459 1.00 0.58 O ATOM 1161 OD2 ASP A 69 -3.844 -8.876 5.989 1.00 0.28 O ATOM 0 H ASP A 69 -0.250 -10.175 3.209 1.00 0.17 H new ATOM 0 HA ASP A 69 -1.684 -11.643 5.303 1.00 0.19 H new ATOM 0 HB2 ASP A 69 -0.694 -9.363 5.748 1.00 0.21 H new ATOM 0 HB3 ASP A 69 -1.777 -8.694 4.545 1.00 0.21 H new ATOM 1166 N ALA A 70 -3.867 -11.865 4.216 1.00 0.19 N ATOM 1167 CA ALA A 70 -5.146 -12.109 3.562 1.00 0.21 C ATOM 1168 C ALA A 70 -6.106 -10.942 3.747 1.00 0.18 C ATOM 1169 O ALA A 70 -6.952 -10.693 2.893 1.00 0.19 O ATOM 1170 CB ALA A 70 -5.770 -13.386 4.094 1.00 0.27 C ATOM 0 H ALA A 70 -3.702 -12.448 5.037 1.00 0.19 H new ATOM 0 HA ALA A 70 -4.956 -12.216 2.494 1.00 0.21 H new ATOM 0 HB1 ALA A 70 -6.725 -13.558 3.598 1.00 0.27 H new ATOM 0 HB2 ALA A 70 -5.103 -14.226 3.898 1.00 0.27 H new ATOM 0 HB3 ALA A 70 -5.930 -13.293 5.168 1.00 0.27 H new ATOM 1176 N THR A 71 -5.977 -10.226 4.855 1.00 0.17 N ATOM 1177 CA THR A 71 -6.847 -9.095 5.124 1.00 0.17 C ATOM 1178 C THR A 71 -6.565 -7.964 4.145 1.00 0.14 C ATOM 1179 O THR A 71 -7.470 -7.465 3.485 1.00 0.15 O ATOM 1180 CB THR A 71 -6.676 -8.577 6.562 1.00 0.20 C ATOM 1181 OG1 THR A 71 -6.951 -9.631 7.493 1.00 0.25 O ATOM 1182 CG2 THR A 71 -7.597 -7.397 6.829 1.00 0.21 C ATOM 0 H THR A 71 -5.281 -10.409 5.578 1.00 0.17 H new ATOM 0 HA THR A 71 -7.874 -9.440 5.002 1.00 0.17 H new ATOM 0 HB THR A 71 -5.646 -8.241 6.686 1.00 0.20 H new ATOM 0 HG1 THR A 71 -6.839 -9.297 8.408 1.00 0.25 H new ATOM 0 HG21 THR A 71 -7.456 -7.050 7.853 1.00 0.21 H new ATOM 0 HG22 THR A 71 -7.363 -6.589 6.136 1.00 0.21 H new ATOM 0 HG23 THR A 71 -8.633 -7.705 6.690 1.00 0.21 H new ATOM 1190 N LYS A 72 -5.304 -7.575 4.039 1.00 0.13 N ATOM 1191 CA LYS A 72 -4.908 -6.550 3.104 1.00 0.13 C ATOM 1192 C LYS A 72 -5.196 -6.999 1.682 1.00 0.12 C ATOM 1193 O LYS A 72 -5.637 -6.211 0.860 1.00 0.13 O ATOM 1194 CB LYS A 72 -3.428 -6.199 3.269 1.00 0.15 C ATOM 1195 CG LYS A 72 -3.133 -5.300 4.461 1.00 0.17 C ATOM 1196 CD LYS A 72 -3.327 -6.006 5.793 1.00 0.17 C ATOM 1197 CE LYS A 72 -3.082 -5.067 6.960 1.00 0.24 C ATOM 1198 NZ LYS A 72 -3.115 -5.771 8.268 1.00 0.71 N ATOM 0 H LYS A 72 -4.539 -7.959 4.594 1.00 0.13 H new ATOM 0 HA LYS A 72 -5.490 -5.652 3.313 1.00 0.13 H new ATOM 0 HB2 LYS A 72 -2.856 -7.121 3.372 1.00 0.15 H new ATOM 0 HB3 LYS A 72 -3.079 -5.707 2.361 1.00 0.15 H new ATOM 0 HG2 LYS A 72 -2.107 -4.938 4.393 1.00 0.17 H new ATOM 0 HG3 LYS A 72 -3.782 -4.426 4.420 1.00 0.17 H new ATOM 0 HD2 LYS A 72 -4.340 -6.404 5.851 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -2.647 -6.855 5.859 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -2.114 -4.582 6.836 1.00 0.24 H new ATOM 0 HE3 LYS A 72 -3.836 -4.280 6.955 1.00 0.24 H new ATOM 0 HZ1 LYS A 72 -2.943 -5.089 9.034 1.00 0.71 H new ATOM 0 HZ2 LYS A 72 -4.047 -6.213 8.401 1.00 0.71 H new ATOM 0 HZ3 LYS A 72 -2.378 -6.505 8.286 1.00 0.71 H new ATOM 1212 N ARG A 73 -4.980 -8.276 1.393 1.00 0.13 N ATOM 1213 CA ARG A 73 -5.280 -8.802 0.067 1.00 0.15 C ATOM 1214 C ARG A 73 -6.786 -8.758 -0.178 1.00 0.16 C ATOM 1215 O ARG A 73 -7.246 -8.674 -1.317 1.00 0.19 O ATOM 1216 CB ARG A 73 -4.773 -10.234 -0.079 1.00 0.18 C ATOM 1217 CG ARG A 73 -4.378 -10.595 -1.502 1.00 0.38 C ATOM 1218 CD ARG A 73 -2.985 -10.081 -1.848 1.00 0.47 C ATOM 1219 NE ARG A 73 -2.627 -10.347 -3.243 1.00 0.49 N ATOM 1220 CZ ARG A 73 -1.369 -10.468 -3.669 1.00 0.88 C ATOM 1221 NH1 ARG A 73 -0.373 -10.381 -2.808 1.00 1.45 N ATOM 1222 NH2 ARG A 73 -1.099 -10.678 -4.952 1.00 0.97 N ATOM 0 H ARG A 73 -4.603 -8.960 2.050 1.00 0.13 H new ATOM 0 HA ARG A 73 -4.773 -8.182 -0.672 1.00 0.15 H new ATOM 0 HB2 ARG A 73 -3.913 -10.375 0.575 1.00 0.18 H new ATOM 0 HB3 ARG A 73 -5.548 -10.922 0.260 1.00 0.18 H new ATOM 0 HG2 ARG A 73 -4.407 -11.678 -1.624 1.00 0.38 H new ATOM 0 HG3 ARG A 73 -5.104 -10.176 -2.199 1.00 0.38 H new ATOM 0 HD2 ARG A 73 -2.939 -9.008 -1.661 1.00 0.47 H new ATOM 0 HD3 ARG A 73 -2.253 -10.551 -1.191 1.00 0.47 H new ATOM 0 HE ARG A 73 -3.379 -10.445 -3.925 1.00 0.49 H new ATOM 0 HH11 ARG A 73 -0.566 -10.222 -1.819 1.00 1.45 H new ATOM 0 HH12 ARG A 73 0.590 -10.473 -3.131 1.00 1.45 H new ATOM 0 HH21 ARG A 73 -1.859 -10.749 -5.628 1.00 0.97 H new ATOM 0 HH22 ARG A 73 -0.131 -10.768 -5.261 1.00 0.97 H new ATOM 1236 N ASN A 74 -7.541 -8.804 0.908 1.00 0.16 N ATOM 1237 CA ASN A 74 -8.992 -8.718 0.848 1.00 0.18 C ATOM 1238 C ASN A 74 -9.425 -7.306 0.514 1.00 0.17 C ATOM 1239 O ASN A 74 -10.392 -7.101 -0.220 1.00 0.23 O ATOM 1240 CB ASN A 74 -9.592 -9.171 2.177 1.00 0.21 C ATOM 1241 CG ASN A 74 -10.459 -10.403 2.035 1.00 0.31 C ATOM 1242 OD1 ASN A 74 -11.139 -10.588 1.026 1.00 0.57 O ATOM 1243 ND2 ASN A 74 -10.425 -11.265 3.040 1.00 0.43 N ATOM 0 H ASN A 74 -7.168 -8.902 1.852 1.00 0.16 H new ATOM 0 HA ASN A 74 -9.356 -9.376 0.059 1.00 0.18 H new ATOM 0 HB2 ASN A 74 -8.788 -9.377 2.883 1.00 0.21 H new ATOM 0 HB3 ASN A 74 -10.186 -8.360 2.598 1.00 0.21 H new ATOM 0 HD21 ASN A 74 -10.977 -12.122 2.996 1.00 0.43 H new ATOM 0 HD22 ASN A 74 -9.847 -11.072 3.858 1.00 0.43 H new ATOM 1250 N ILE A 75 -8.703 -6.333 1.047 1.00 0.13 N ATOM 1251 CA ILE A 75 -8.932 -4.947 0.682 1.00 0.13 C ATOM 1252 C ILE A 75 -8.400 -4.697 -0.719 1.00 0.14 C ATOM 1253 O ILE A 75 -9.039 -4.027 -1.509 1.00 0.15 O ATOM 1254 CB ILE A 75 -8.291 -3.946 1.685 1.00 0.14 C ATOM 1255 CG1 ILE A 75 -9.146 -3.819 2.951 1.00 0.18 C ATOM 1256 CG2 ILE A 75 -8.099 -2.567 1.041 1.00 0.17 C ATOM 1257 CD1 ILE A 75 -9.216 -5.079 3.784 1.00 0.20 C ATOM 0 H ILE A 75 -7.959 -6.477 1.729 1.00 0.13 H new ATOM 0 HA ILE A 75 -10.008 -4.775 0.712 1.00 0.13 H new ATOM 0 HB ILE A 75 -7.312 -4.338 1.962 1.00 0.14 H new ATOM 0 HG12 ILE A 75 -8.746 -3.013 3.566 1.00 0.18 H new ATOM 0 HG13 ILE A 75 -10.157 -3.530 2.665 1.00 0.18 H new ATOM 0 HG21 ILE A 75 -7.649 -1.887 1.764 1.00 0.17 H new ATOM 0 HG22 ILE A 75 -7.445 -2.658 0.174 1.00 0.17 H new ATOM 0 HG23 ILE A 75 -9.066 -2.174 0.727 1.00 0.17 H new ATOM 0 HD11 ILE A 75 -9.840 -4.902 4.660 1.00 0.20 H new ATOM 0 HD12 ILE A 75 -9.646 -5.885 3.189 1.00 0.20 H new ATOM 0 HD13 ILE A 75 -8.213 -5.360 4.104 1.00 0.20 H new ATOM 1269 N TYR A 76 -7.246 -5.287 -1.015 1.00 0.15 N ATOM 1270 CA TYR A 76 -6.598 -5.188 -2.327 1.00 0.18 C ATOM 1271 C TYR A 76 -7.580 -5.419 -3.476 1.00 0.19 C ATOM 1272 O TYR A 76 -7.509 -4.752 -4.510 1.00 0.26 O ATOM 1273 CB TYR A 76 -5.443 -6.204 -2.379 1.00 0.21 C ATOM 1274 CG TYR A 76 -5.179 -6.823 -3.737 1.00 0.22 C ATOM 1275 CD1 TYR A 76 -4.373 -6.175 -4.669 1.00 0.36 C ATOM 1276 CD2 TYR A 76 -5.742 -8.037 -4.094 1.00 0.28 C ATOM 1277 CE1 TYR A 76 -4.138 -6.723 -5.912 1.00 0.44 C ATOM 1278 CE2 TYR A 76 -5.512 -8.590 -5.339 1.00 0.36 C ATOM 1279 CZ TYR A 76 -4.680 -7.985 -6.212 1.00 0.41 C ATOM 1280 OH TYR A 76 -4.482 -8.481 -7.481 1.00 0.52 O ATOM 0 H TYR A 76 -6.725 -5.854 -0.346 1.00 0.15 H new ATOM 0 HA TYR A 76 -6.214 -4.176 -2.453 1.00 0.18 H new ATOM 0 HB2 TYR A 76 -4.532 -5.710 -2.041 1.00 0.21 H new ATOM 0 HB3 TYR A 76 -5.654 -7.004 -1.669 1.00 0.21 H new ATOM 0 HD1 TYR A 76 -3.924 -5.226 -4.414 1.00 0.36 H new ATOM 0 HD2 TYR A 76 -6.371 -8.560 -3.388 1.00 0.28 H new ATOM 0 HE1 TYR A 76 -3.547 -6.191 -6.643 1.00 0.44 H new ATOM 0 HE2 TYR A 76 -6.001 -9.512 -5.615 1.00 0.36 H new ATOM 0 HH TYR A 76 -4.906 -9.361 -7.558 1.00 0.52 H new ATOM 1290 N ASP A 77 -8.491 -6.362 -3.289 1.00 0.18 N ATOM 1291 CA ASP A 77 -9.477 -6.690 -4.316 1.00 0.22 C ATOM 1292 C ASP A 77 -10.561 -5.613 -4.419 1.00 0.22 C ATOM 1293 O ASP A 77 -11.178 -5.435 -5.471 1.00 0.30 O ATOM 1294 CB ASP A 77 -10.112 -8.050 -4.014 1.00 0.31 C ATOM 1295 CG ASP A 77 -11.169 -8.444 -5.028 1.00 1.00 C ATOM 1296 OD1 ASP A 77 -10.803 -8.912 -6.127 1.00 1.21 O ATOM 1297 OD2 ASP A 77 -12.370 -8.281 -4.735 1.00 1.74 O ATOM 0 H ASP A 77 -8.571 -6.916 -2.436 1.00 0.18 H new ATOM 0 HA ASP A 77 -8.961 -6.735 -5.275 1.00 0.22 H new ATOM 0 HB2 ASP A 77 -9.333 -8.813 -3.993 1.00 0.31 H new ATOM 0 HB3 ASP A 77 -10.560 -8.024 -3.021 1.00 0.31 H new ATOM 1302 N LYS A 78 -10.770 -4.876 -3.338 1.00 0.20 N ATOM 1303 CA LYS A 78 -11.832 -3.878 -3.282 1.00 0.21 C ATOM 1304 C LYS A 78 -11.253 -2.476 -3.470 1.00 0.20 C ATOM 1305 O LYS A 78 -11.570 -1.774 -4.431 1.00 0.24 O ATOM 1306 CB LYS A 78 -12.549 -3.963 -1.932 1.00 0.22 C ATOM 1307 CG LYS A 78 -13.085 -5.349 -1.603 1.00 0.29 C ATOM 1308 CD LYS A 78 -13.595 -5.416 -0.173 1.00 0.33 C ATOM 1309 CE LYS A 78 -14.197 -6.773 0.156 1.00 1.31 C ATOM 1310 NZ LYS A 78 -13.166 -7.841 0.206 1.00 1.92 N ATOM 0 H LYS A 78 -10.217 -4.950 -2.484 1.00 0.20 H new ATOM 0 HA LYS A 78 -12.543 -4.076 -4.084 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -11.860 -3.655 -1.146 1.00 0.22 H new ATOM 0 HB3 LYS A 78 -13.377 -3.254 -1.926 1.00 0.22 H new ATOM 0 HG2 LYS A 78 -13.891 -5.603 -2.292 1.00 0.29 H new ATOM 0 HG3 LYS A 78 -12.298 -6.090 -1.746 1.00 0.29 H new ATOM 0 HD2 LYS A 78 -12.775 -5.207 0.514 1.00 0.33 H new ATOM 0 HD3 LYS A 78 -14.345 -4.640 -0.019 1.00 0.33 H new ATOM 0 HE2 LYS A 78 -14.710 -6.719 1.116 1.00 1.31 H new ATOM 0 HE3 LYS A 78 -14.947 -7.028 -0.592 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 -13.368 -8.553 -0.525 1.00 1.92 H new ATOM 0 HZ2 LYS A 78 -12.228 -7.426 0.036 1.00 1.92 H new ATOM 0 HZ3 LYS A 78 -13.180 -8.293 1.142 1.00 1.92 H new ATOM 1324 N TYR A 79 -10.387 -2.095 -2.548 1.00 0.18 N ATOM 1325 CA TYR A 79 -9.679 -0.832 -2.606 1.00 0.19 C ATOM 1326 C TYR A 79 -8.206 -1.099 -2.870 1.00 0.21 C ATOM 1327 O TYR A 79 -7.551 -1.780 -2.084 1.00 0.30 O ATOM 1328 CB TYR A 79 -9.830 -0.064 -1.290 1.00 0.23 C ATOM 1329 CG TYR A 79 -11.246 0.357 -0.970 1.00 0.34 C ATOM 1330 CD1 TYR A 79 -12.093 -0.469 -0.242 1.00 0.50 C ATOM 1331 CD2 TYR A 79 -11.731 1.588 -1.389 1.00 0.60 C ATOM 1332 CE1 TYR A 79 -13.384 -0.079 0.058 1.00 0.65 C ATOM 1333 CE2 TYR A 79 -13.020 1.985 -1.095 1.00 0.75 C ATOM 1334 CZ TYR A 79 -13.842 1.149 -0.372 1.00 0.72 C ATOM 1335 OH TYR A 79 -15.127 1.544 -0.077 1.00 0.88 O ATOM 0 H TYR A 79 -10.154 -2.660 -1.731 1.00 0.18 H new ATOM 0 HA TYR A 79 -10.101 -0.228 -3.409 1.00 0.19 H new ATOM 0 HB2 TYR A 79 -9.456 -0.685 -0.476 1.00 0.23 H new ATOM 0 HB3 TYR A 79 -9.200 0.825 -1.328 1.00 0.23 H new ATOM 0 HD1 TYR A 79 -11.737 -1.431 0.095 1.00 0.50 H new ATOM 0 HD2 TYR A 79 -11.089 2.247 -1.955 1.00 0.60 H new ATOM 0 HE1 TYR A 79 -14.031 -0.732 0.626 1.00 0.65 H new ATOM 0 HE2 TYR A 79 -13.382 2.946 -1.430 1.00 0.75 H new ATOM 0 HH TYR A 79 -15.290 2.435 -0.452 1.00 0.88 H new ATOM 1345 N GLY A 80 -7.691 -0.585 -3.974 1.00 0.20 N ATOM 1346 CA GLY A 80 -6.292 -0.777 -4.290 1.00 0.25 C ATOM 1347 C GLY A 80 -5.364 -0.011 -3.364 1.00 0.20 C ATOM 1348 O GLY A 80 -5.559 0.019 -2.149 1.00 0.22 O ATOM 0 H GLY A 80 -8.216 -0.039 -4.657 1.00 0.20 H new ATOM 0 HA2 GLY A 80 -6.055 -1.840 -4.235 1.00 0.25 H new ATOM 0 HA3 GLY A 80 -6.111 -0.463 -5.318 1.00 0.25 H new ATOM 1352 N SER A 81 -4.371 0.633 -3.957 1.00 0.23 N ATOM 1353 CA SER A 81 -3.326 1.331 -3.218 1.00 0.25 C ATOM 1354 C SER A 81 -3.881 2.260 -2.129 1.00 0.23 C ATOM 1355 O SER A 81 -3.302 2.369 -1.065 1.00 0.25 O ATOM 1356 CB SER A 81 -2.466 2.116 -4.211 1.00 0.34 C ATOM 1357 OG SER A 81 -1.941 1.255 -5.210 1.00 0.41 O ATOM 0 H SER A 81 -4.265 0.688 -4.970 1.00 0.23 H new ATOM 0 HA SER A 81 -2.724 0.586 -2.698 1.00 0.25 H new ATOM 0 HB2 SER A 81 -3.063 2.900 -4.677 1.00 0.34 H new ATOM 0 HB3 SER A 81 -1.650 2.609 -3.683 1.00 0.34 H new ATOM 0 HG SER A 81 -1.396 1.775 -5.836 1.00 0.41 H new ATOM 1363 N LEU A 82 -4.994 2.936 -2.387 1.00 0.23 N ATOM 1364 CA LEU A 82 -5.554 3.844 -1.385 1.00 0.25 C ATOM 1365 C LEU A 82 -6.061 3.102 -0.169 1.00 0.22 C ATOM 1366 O LEU A 82 -5.593 3.345 0.941 1.00 0.23 O ATOM 1367 CB LEU A 82 -6.680 4.703 -1.945 1.00 0.29 C ATOM 1368 CG LEU A 82 -7.355 5.583 -0.893 1.00 0.42 C ATOM 1369 CD1 LEU A 82 -6.333 6.461 -0.199 1.00 0.62 C ATOM 1370 CD2 LEU A 82 -8.436 6.430 -1.521 1.00 0.69 C ATOM 0 H LEU A 82 -5.519 2.878 -3.260 1.00 0.23 H new ATOM 0 HA LEU A 82 -4.731 4.495 -1.090 1.00 0.25 H new ATOM 0 HB2 LEU A 82 -6.283 5.337 -2.738 1.00 0.29 H new ATOM 0 HB3 LEU A 82 -7.429 4.055 -2.400 1.00 0.29 H new ATOM 0 HG LEU A 82 -7.816 4.933 -0.149 1.00 0.42 H new ATOM 0 HD11 LEU A 82 -6.832 7.080 0.546 1.00 0.62 H new ATOM 0 HD12 LEU A 82 -5.587 5.834 0.290 1.00 0.62 H new ATOM 0 HD13 LEU A 82 -5.844 7.101 -0.934 1.00 0.62 H new ATOM 0 HD21 LEU A 82 -8.904 7.049 -0.756 1.00 0.69 H new ATOM 0 HD22 LEU A 82 -7.998 7.070 -2.287 1.00 0.69 H new ATOM 0 HD23 LEU A 82 -9.187 5.784 -1.974 1.00 0.69 H new ATOM 1382 N GLY A 83 -7.021 2.211 -0.372 1.00 0.23 N ATOM 1383 CA GLY A 83 -7.586 1.488 0.738 1.00 0.23 C ATOM 1384 C GLY A 83 -6.521 0.761 1.510 1.00 0.21 C ATOM 1385 O GLY A 83 -6.572 0.695 2.727 1.00 0.23 O ATOM 0 H GLY A 83 -7.415 1.980 -1.284 1.00 0.23 H new ATOM 0 HA2 GLY A 83 -8.109 2.180 1.398 1.00 0.23 H new ATOM 0 HA3 GLY A 83 -8.325 0.775 0.373 1.00 0.23 H new ATOM 1389 N LEU A 84 -5.534 0.265 0.795 1.00 0.20 N ATOM 1390 CA LEU A 84 -4.429 -0.447 1.411 1.00 0.20 C ATOM 1391 C LEU A 84 -3.478 0.497 2.141 1.00 0.21 C ATOM 1392 O LEU A 84 -3.094 0.225 3.268 1.00 0.23 O ATOM 1393 CB LEU A 84 -3.675 -1.241 0.361 1.00 0.20 C ATOM 1394 CG LEU A 84 -4.449 -2.402 -0.233 1.00 0.25 C ATOM 1395 CD1 LEU A 84 -3.633 -3.074 -1.322 1.00 0.24 C ATOM 1396 CD2 LEU A 84 -4.808 -3.385 0.865 1.00 0.30 C ATOM 0 H LEU A 84 -5.472 0.341 -0.220 1.00 0.20 H new ATOM 0 HA LEU A 84 -4.846 -1.128 2.153 1.00 0.20 H new ATOM 0 HB2 LEU A 84 -3.383 -0.567 -0.444 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -2.756 -1.624 0.805 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.370 -2.033 -0.685 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -4.200 -3.906 -1.740 1.00 0.24 H new ATOM 0 HD12 LEU A 84 -3.413 -2.353 -2.109 1.00 0.24 H new ATOM 0 HD13 LEU A 84 -2.700 -3.447 -0.900 1.00 0.24 H new ATOM 0 HD21 LEU A 84 -5.364 -4.220 0.438 1.00 0.30 H new ATOM 0 HD22 LEU A 84 -3.896 -3.758 1.332 1.00 0.30 H new ATOM 0 HD23 LEU A 84 -5.422 -2.885 1.614 1.00 0.30 H new ATOM 1408 N TYR A 85 -3.115 1.603 1.507 1.00 0.21 N ATOM 1409 CA TYR A 85 -2.224 2.594 2.116 1.00 0.23 C ATOM 1410 C TYR A 85 -2.679 2.950 3.529 1.00 0.24 C ATOM 1411 O TYR A 85 -1.862 3.156 4.427 1.00 0.26 O ATOM 1412 CB TYR A 85 -2.154 3.840 1.210 1.00 0.25 C ATOM 1413 CG TYR A 85 -2.393 5.169 1.897 1.00 0.29 C ATOM 1414 CD1 TYR A 85 -3.681 5.673 2.036 1.00 0.28 C ATOM 1415 CD2 TYR A 85 -1.335 5.925 2.385 1.00 0.38 C ATOM 1416 CE1 TYR A 85 -3.908 6.890 2.643 1.00 0.37 C ATOM 1417 CE2 TYR A 85 -1.556 7.144 2.997 1.00 0.45 C ATOM 1418 CZ TYR A 85 -2.844 7.621 3.122 1.00 0.44 C ATOM 1419 OH TYR A 85 -3.072 8.837 3.724 1.00 0.52 O ATOM 0 H TYR A 85 -3.424 1.842 0.565 1.00 0.21 H new ATOM 0 HA TYR A 85 -1.224 2.170 2.206 1.00 0.23 H new ATOM 0 HB2 TYR A 85 -1.172 3.868 0.738 1.00 0.25 H new ATOM 0 HB3 TYR A 85 -2.888 3.728 0.412 1.00 0.25 H new ATOM 0 HD1 TYR A 85 -4.518 5.102 1.662 1.00 0.28 H new ATOM 0 HD2 TYR A 85 -0.325 5.555 2.285 1.00 0.38 H new ATOM 0 HE1 TYR A 85 -4.915 7.268 2.742 1.00 0.37 H new ATOM 0 HE2 TYR A 85 -0.725 7.720 3.375 1.00 0.45 H new ATOM 0 HH TYR A 85 -2.219 9.226 4.008 1.00 0.52 H new ATOM 1429 N VAL A 86 -3.982 3.024 3.715 1.00 0.23 N ATOM 1430 CA VAL A 86 -4.545 3.298 5.025 1.00 0.25 C ATOM 1431 C VAL A 86 -4.850 2.006 5.817 1.00 0.24 C ATOM 1432 O VAL A 86 -4.623 1.946 7.027 1.00 0.27 O ATOM 1433 CB VAL A 86 -5.802 4.198 4.895 1.00 0.28 C ATOM 1434 CG1 VAL A 86 -6.696 3.735 3.756 1.00 0.26 C ATOM 1435 CG2 VAL A 86 -6.587 4.253 6.192 1.00 0.32 C ATOM 0 H VAL A 86 -4.673 2.898 2.975 1.00 0.23 H new ATOM 0 HA VAL A 86 -3.793 3.838 5.600 1.00 0.25 H new ATOM 0 HB VAL A 86 -5.451 5.205 4.670 1.00 0.28 H new ATOM 0 HG11 VAL A 86 -7.568 4.385 3.691 1.00 0.26 H new ATOM 0 HG12 VAL A 86 -6.141 3.776 2.818 1.00 0.26 H new ATOM 0 HG13 VAL A 86 -7.020 2.711 3.941 1.00 0.26 H new ATOM 0 HG21 VAL A 86 -7.460 4.893 6.062 1.00 0.32 H new ATOM 0 HG22 VAL A 86 -6.911 3.248 6.464 1.00 0.32 H new ATOM 0 HG23 VAL A 86 -5.955 4.658 6.983 1.00 0.32 H new ATOM 1445 N ALA A 87 -5.327 0.962 5.139 1.00 0.23 N ATOM 1446 CA ALA A 87 -5.763 -0.259 5.827 1.00 0.24 C ATOM 1447 C ALA A 87 -4.611 -1.194 6.171 1.00 0.22 C ATOM 1448 O ALA A 87 -4.651 -1.884 7.184 1.00 0.24 O ATOM 1449 CB ALA A 87 -6.785 -1.017 5.002 1.00 0.25 C ATOM 0 H ALA A 87 -5.422 0.934 4.124 1.00 0.23 H new ATOM 0 HA ALA A 87 -6.214 0.076 6.761 1.00 0.24 H new ATOM 0 HB1 ALA A 87 -7.089 -1.917 5.537 1.00 0.25 H new ATOM 0 HB2 ALA A 87 -7.656 -0.384 4.831 1.00 0.25 H new ATOM 0 HB3 ALA A 87 -6.345 -1.296 4.044 1.00 0.25 H new ATOM 1455 N GLU A 88 -3.598 -1.235 5.329 1.00 0.20 N ATOM 1456 CA GLU A 88 -2.482 -2.135 5.548 1.00 0.21 C ATOM 1457 C GLU A 88 -1.628 -1.605 6.689 1.00 0.20 C ATOM 1458 O GLU A 88 -1.080 -2.365 7.489 1.00 0.25 O ATOM 1459 CB GLU A 88 -1.670 -2.311 4.246 1.00 0.21 C ATOM 1460 CG GLU A 88 -0.463 -1.393 4.093 1.00 0.25 C ATOM 1461 CD GLU A 88 0.804 -2.010 4.653 1.00 0.86 C ATOM 1462 OE1 GLU A 88 1.356 -2.914 4.010 1.00 1.28 O ATOM 1463 OE2 GLU A 88 1.245 -1.611 5.749 1.00 1.24 O ATOM 0 H GLU A 88 -3.524 -0.659 4.491 1.00 0.20 H new ATOM 0 HA GLU A 88 -2.849 -3.122 5.829 1.00 0.21 H new ATOM 0 HB2 GLU A 88 -1.327 -3.344 4.190 1.00 0.21 H new ATOM 0 HB3 GLU A 88 -2.336 -2.149 3.399 1.00 0.21 H new ATOM 0 HG2 GLU A 88 -0.316 -1.162 3.038 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.660 -0.449 4.601 1.00 0.25 H new ATOM 1470 N GLN A 89 -1.579 -0.288 6.784 1.00 0.22 N ATOM 1471 CA GLN A 89 -0.736 0.387 7.750 1.00 0.24 C ATOM 1472 C GLN A 89 -1.421 0.527 9.107 1.00 0.29 C ATOM 1473 O GLN A 89 -0.771 0.407 10.146 1.00 0.36 O ATOM 1474 CB GLN A 89 -0.340 1.755 7.196 1.00 0.25 C ATOM 1475 CG GLN A 89 0.656 1.674 6.050 1.00 0.27 C ATOM 1476 CD GLN A 89 2.078 1.421 6.525 1.00 0.32 C ATOM 1477 OE1 GLN A 89 2.467 1.862 7.608 1.00 0.35 O ATOM 1478 NE2 GLN A 89 2.864 0.707 5.726 1.00 0.38 N ATOM 0 H GLN A 89 -2.123 0.341 6.194 1.00 0.22 H new ATOM 0 HA GLN A 89 0.157 -0.216 7.912 1.00 0.24 H new ATOM 0 HB2 GLN A 89 -1.235 2.274 6.854 1.00 0.25 H new ATOM 0 HB3 GLN A 89 0.089 2.354 7.999 1.00 0.25 H new ATOM 0 HG2 GLN A 89 0.357 0.876 5.370 1.00 0.27 H new ATOM 0 HG3 GLN A 89 0.627 2.604 5.482 1.00 0.27 H new ATOM 0 HE21 GLN A 89 2.506 0.359 4.837 1.00 0.38 H new ATOM 0 HE22 GLN A 89 3.825 0.507 6.002 1.00 0.38 H new ATOM 1487 N PHE A 90 -2.730 0.765 9.112 1.00 0.29 N ATOM 1488 CA PHE A 90 -3.430 1.024 10.369 1.00 0.34 C ATOM 1489 C PHE A 90 -4.656 0.129 10.565 1.00 0.37 C ATOM 1490 O PHE A 90 -5.080 -0.105 11.700 1.00 0.43 O ATOM 1491 CB PHE A 90 -3.829 2.498 10.450 1.00 0.37 C ATOM 1492 CG PHE A 90 -2.651 3.430 10.464 1.00 0.42 C ATOM 1493 CD1 PHE A 90 -1.894 3.591 11.612 1.00 0.55 C ATOM 1494 CD2 PHE A 90 -2.298 4.139 9.328 1.00 0.43 C ATOM 1495 CE1 PHE A 90 -0.807 4.442 11.628 1.00 0.64 C ATOM 1496 CE2 PHE A 90 -1.212 4.992 9.338 1.00 0.53 C ATOM 1497 CZ PHE A 90 -0.465 5.144 10.489 1.00 0.62 C ATOM 0 H PHE A 90 -3.318 0.784 8.279 1.00 0.29 H new ATOM 0 HA PHE A 90 -2.737 0.784 11.176 1.00 0.34 H new ATOM 0 HB2 PHE A 90 -4.467 2.742 9.601 1.00 0.37 H new ATOM 0 HB3 PHE A 90 -4.422 2.658 11.351 1.00 0.37 H new ATOM 0 HD1 PHE A 90 -2.157 3.044 12.506 1.00 0.55 H new ATOM 0 HD2 PHE A 90 -2.878 4.024 8.424 1.00 0.43 H new ATOM 0 HE1 PHE A 90 -0.225 4.559 12.530 1.00 0.64 H new ATOM 0 HE2 PHE A 90 -0.947 5.540 8.446 1.00 0.53 H new ATOM 0 HZ PHE A 90 0.385 5.810 10.499 1.00 0.62 H new ATOM 1507 N GLY A 91 -5.240 -0.362 9.482 1.00 0.36 N ATOM 1508 CA GLY A 91 -6.371 -1.259 9.607 1.00 0.41 C ATOM 1509 C GLY A 91 -7.623 -0.717 8.956 1.00 0.43 C ATOM 1510 O GLY A 91 -8.050 0.402 9.237 1.00 0.51 O ATOM 0 H GLY A 91 -4.954 -0.157 8.525 1.00 0.36 H new ATOM 0 HA2 GLY A 91 -6.119 -2.219 9.156 1.00 0.41 H new ATOM 0 HA3 GLY A 91 -6.567 -1.444 10.663 1.00 0.41 H new ATOM 1514 N GLU A 92 -8.223 -1.523 8.104 1.00 0.43 N ATOM 1515 CA GLU A 92 -9.411 -1.124 7.369 1.00 0.47 C ATOM 1516 C GLU A 92 -10.580 -0.962 8.320 1.00 0.54 C ATOM 1517 O GLU A 92 -11.401 -0.057 8.169 1.00 0.63 O ATOM 1518 CB GLU A 92 -9.704 -2.172 6.285 1.00 0.50 C ATOM 1519 CG GLU A 92 -10.883 -1.859 5.366 1.00 0.92 C ATOM 1520 CD GLU A 92 -12.228 -2.238 5.959 1.00 1.83 C ATOM 1521 OE1 GLU A 92 -12.343 -3.347 6.522 1.00 2.69 O ATOM 1522 OE2 GLU A 92 -13.185 -1.445 5.841 1.00 2.23 O ATOM 0 H GLU A 92 -7.904 -2.470 7.900 1.00 0.43 H new ATOM 0 HA GLU A 92 -9.248 -0.161 6.885 1.00 0.47 H new ATOM 0 HB2 GLU A 92 -8.811 -2.294 5.672 1.00 0.50 H new ATOM 0 HB3 GLU A 92 -9.890 -3.130 6.771 1.00 0.50 H new ATOM 0 HG2 GLU A 92 -10.883 -0.793 5.137 1.00 0.92 H new ATOM 0 HG3 GLU A 92 -10.749 -2.388 4.422 1.00 0.92 H new ATOM 1529 N GLU A 93 -10.610 -1.816 9.324 1.00 0.57 N ATOM 1530 CA GLU A 93 -11.696 -1.840 10.284 1.00 0.66 C ATOM 1531 C GLU A 93 -11.903 -0.484 10.958 1.00 0.68 C ATOM 1532 O GLU A 93 -13.038 -0.077 11.206 1.00 0.79 O ATOM 1533 CB GLU A 93 -11.428 -2.911 11.341 1.00 0.70 C ATOM 1534 CG GLU A 93 -10.129 -2.696 12.104 1.00 0.68 C ATOM 1535 CD GLU A 93 -9.897 -3.744 13.169 1.00 1.00 C ATOM 1536 OE1 GLU A 93 -9.400 -4.835 12.837 1.00 1.19 O ATOM 1537 OE2 GLU A 93 -10.214 -3.480 14.348 1.00 1.33 O ATOM 0 H GLU A 93 -9.884 -2.511 9.497 1.00 0.57 H new ATOM 0 HA GLU A 93 -12.610 -2.075 9.739 1.00 0.66 H new ATOM 0 HB2 GLU A 93 -12.257 -2.928 12.048 1.00 0.70 H new ATOM 0 HB3 GLU A 93 -11.400 -3.888 10.859 1.00 0.70 H new ATOM 0 HG2 GLU A 93 -9.295 -2.706 11.403 1.00 0.68 H new ATOM 0 HG3 GLU A 93 -10.144 -1.710 12.568 1.00 0.68 H new ATOM 1544 N ASN A 94 -10.813 0.213 11.253 1.00 0.61 N ATOM 1545 CA ASN A 94 -10.896 1.458 12.007 1.00 0.64 C ATOM 1546 C ASN A 94 -10.788 2.697 11.131 1.00 0.65 C ATOM 1547 O ASN A 94 -11.723 3.487 11.051 1.00 0.81 O ATOM 1548 CB ASN A 94 -9.842 1.505 13.124 1.00 0.63 C ATOM 1549 CG ASN A 94 -8.633 0.630 12.849 1.00 0.78 C ATOM 1550 OD1 ASN A 94 -8.573 -0.513 13.285 1.00 1.65 O ATOM 1551 ND2 ASN A 94 -7.656 1.151 12.136 1.00 0.70 N ATOM 0 H ASN A 94 -9.868 -0.060 10.984 1.00 0.61 H new ATOM 0 HA ASN A 94 -11.890 1.469 12.454 1.00 0.64 H new ATOM 0 HB2 ASN A 94 -9.512 2.535 13.259 1.00 0.63 H new ATOM 0 HB3 ASN A 94 -10.302 1.192 14.061 1.00 0.63 H new ATOM 0 HD21 ASN A 94 -6.822 0.600 11.934 1.00 0.70 H new ATOM 0 HD22 ASN A 94 -7.733 2.106 11.786 1.00 0.70 H new ATOM 1558 N VAL A 95 -9.664 2.862 10.466 1.00 0.54 N ATOM 1559 CA VAL A 95 -9.377 4.115 9.774 1.00 0.58 C ATOM 1560 C VAL A 95 -9.906 4.125 8.347 1.00 0.62 C ATOM 1561 O VAL A 95 -10.236 5.180 7.810 1.00 0.76 O ATOM 1562 CB VAL A 95 -7.870 4.412 9.769 1.00 0.57 C ATOM 1563 CG1 VAL A 95 -7.419 4.892 11.138 1.00 0.69 C ATOM 1564 CG2 VAL A 95 -7.101 3.172 9.366 1.00 0.49 C ATOM 0 H VAL A 95 -8.934 2.154 10.386 1.00 0.54 H new ATOM 0 HA VAL A 95 -9.896 4.897 10.328 1.00 0.58 H new ATOM 0 HB VAL A 95 -7.670 5.202 9.045 1.00 0.57 H new ATOM 0 HG11 VAL A 95 -6.349 5.098 11.117 1.00 0.69 H new ATOM 0 HG12 VAL A 95 -7.959 5.802 11.400 1.00 0.69 H new ATOM 0 HG13 VAL A 95 -7.626 4.121 11.880 1.00 0.69 H new ATOM 0 HG21 VAL A 95 -6.033 3.391 9.365 1.00 0.49 H new ATOM 0 HG22 VAL A 95 -7.306 2.370 10.075 1.00 0.49 H new ATOM 0 HG23 VAL A 95 -7.409 2.861 8.368 1.00 0.49 H new