USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=25 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 44:sc= 0.532 USER MOD Set 1.2: A 61 ASN : amide:sc= -0.624 X(o=-0.49,f=-0.46) USER MOD Set 1.3: A 89 GLN : amide:sc= -0.394 X(o=-0.49,f=-0.72) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -158:sc= 0.98 (180deg=0.547) USER MOD Set 2.2: A 25 ASN : amide:sc= -0.244 X(o=0.74,f=0.75) USER MOD Single : A 11 THR OG1 : rot -13:sc= 0.528 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.0175 X(o=-0.017,f=-0.4) USER MOD Single : A 27 THR OG1 : rot -81:sc= -0.141 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0129) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 100:sc= -0.352 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0291) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.0378 F(o=-1.1,f=-0.038) USER MOD Single : A 46 LYS NZ :NH3+ 169:sc= -0.0036 (180deg=-0.117) USER MOD Single : A 47 ASN : amide:sc= 0.632 K(o=0.63,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.0318 K(o=-0.032,f=-6.6!) USER MOD Single : A 56 LYS NZ :NH3+ -126:sc= 0.156 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -164:sc= 1.14 (180deg=0.978) USER MOD Single : A 62 ASN : amide:sc= -10.5! C(o=-11!,f=-12!) USER MOD Single : A 64 HIS : no HE2:sc= -2.28! C(o=-2.3!,f=-8.6!) USER MOD Single : A 68 THR OG1 : rot -120:sc=-0.00372 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 157:sc= 1.01 (180deg=0.664) USER MOD Single : A 74 ASN : amide:sc= -0.261 K(o=-0.26,f=-1.6!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 137:sc= 1.06 (180deg=0.0859) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc=0.000687 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -4.28! C(o=-4.3!,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 11 -4.613 3.829 -7.429 1.00 0.43 N ATOM 242 CA THR A 11 -5.100 2.535 -7.003 1.00 0.36 C ATOM 243 C THR A 11 -4.863 1.459 -8.047 1.00 0.37 C ATOM 244 O THR A 11 -5.722 1.172 -8.881 1.00 0.44 O ATOM 245 CB THR A 11 -6.583 2.583 -6.624 1.00 0.44 C ATOM 246 OG1 THR A 11 -7.263 3.573 -7.405 1.00 0.60 O ATOM 247 CG2 THR A 11 -6.731 2.888 -5.147 1.00 0.54 C ATOM 0 HA THR A 11 -4.525 2.273 -6.115 1.00 0.36 H new ATOM 0 HB THR A 11 -7.030 1.611 -6.830 1.00 0.44 H new ATOM 0 HG1 THR A 11 -6.605 4.147 -7.850 1.00 0.60 H new ATOM 0 HG21 THR A 11 -7.789 2.920 -4.886 1.00 0.54 H new ATOM 0 HG22 THR A 11 -6.237 2.111 -4.564 1.00 0.54 H new ATOM 0 HG23 THR A 11 -6.274 3.853 -4.927 1.00 0.54 H new ATOM 255 N SER A 12 -3.669 0.899 -8.006 1.00 0.36 N ATOM 256 CA SER A 12 -3.330 -0.254 -8.808 1.00 0.40 C ATOM 257 C SER A 12 -2.623 -1.282 -7.940 1.00 0.34 C ATOM 258 O SER A 12 -1.394 -1.384 -7.947 1.00 0.41 O ATOM 259 CB SER A 12 -2.457 0.147 -9.989 1.00 0.53 C ATOM 260 OG SER A 12 -3.117 1.094 -10.814 1.00 1.26 O ATOM 0 H SER A 12 -2.908 1.233 -7.414 1.00 0.36 H new ATOM 0 HA SER A 12 -4.245 -0.692 -9.207 1.00 0.40 H new ATOM 0 HB2 SER A 12 -1.519 0.568 -9.626 1.00 0.53 H new ATOM 0 HB3 SER A 12 -2.204 -0.737 -10.575 1.00 0.53 H new ATOM 0 HG SER A 12 -2.535 1.336 -11.564 1.00 1.26 H new ATOM 266 N GLY A 13 -3.410 -2.025 -7.169 1.00 0.28 N ATOM 267 CA GLY A 13 -2.858 -3.057 -6.312 1.00 0.29 C ATOM 268 C GLY A 13 -2.242 -4.182 -7.109 1.00 0.27 C ATOM 269 O GLY A 13 -1.504 -5.008 -6.578 1.00 0.27 O ATOM 0 H GLY A 13 -4.424 -1.930 -7.123 1.00 0.28 H new ATOM 0 HA2 GLY A 13 -2.103 -2.620 -5.658 1.00 0.29 H new ATOM 0 HA3 GLY A 13 -3.644 -3.455 -5.670 1.00 0.29 H new ATOM 273 N GLU A 14 -2.533 -4.192 -8.398 1.00 0.28 N ATOM 274 CA GLU A 14 -2.037 -5.215 -9.300 1.00 0.26 C ATOM 275 C GLU A 14 -0.526 -5.099 -9.502 1.00 0.20 C ATOM 276 O GLU A 14 0.116 -6.018 -10.004 1.00 0.23 O ATOM 277 CB GLU A 14 -2.766 -5.105 -10.640 1.00 0.32 C ATOM 278 CG GLU A 14 -2.684 -3.717 -11.263 1.00 0.35 C ATOM 279 CD GLU A 14 -3.589 -3.564 -12.466 1.00 0.95 C ATOM 280 OE1 GLU A 14 -3.175 -3.935 -13.584 1.00 0.99 O ATOM 281 OE2 GLU A 14 -4.718 -3.058 -12.301 1.00 1.60 O ATOM 0 H GLU A 14 -3.120 -3.490 -8.849 1.00 0.28 H new ATOM 0 HA GLU A 14 -2.232 -6.192 -8.857 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -2.345 -5.832 -11.335 1.00 0.32 H new ATOM 0 HB3 GLU A 14 -3.814 -5.370 -10.498 1.00 0.32 H new ATOM 0 HG2 GLU A 14 -2.951 -2.971 -10.515 1.00 0.35 H new ATOM 0 HG3 GLU A 14 -1.655 -3.516 -11.560 1.00 0.35 H new ATOM 288 N SER A 15 0.035 -3.962 -9.121 1.00 0.21 N ATOM 289 CA SER A 15 1.463 -3.733 -9.262 1.00 0.22 C ATOM 290 C SER A 15 2.212 -4.167 -8.002 1.00 0.19 C ATOM 291 O SER A 15 3.434 -4.191 -7.991 1.00 0.22 O ATOM 292 CB SER A 15 1.741 -2.260 -9.557 1.00 0.31 C ATOM 293 OG SER A 15 3.032 -2.083 -10.116 1.00 0.74 O ATOM 0 H SER A 15 -0.479 -3.182 -8.711 1.00 0.21 H new ATOM 0 HA SER A 15 1.820 -4.334 -10.099 1.00 0.22 H new ATOM 0 HB2 SER A 15 0.988 -1.876 -10.245 1.00 0.31 H new ATOM 0 HB3 SER A 15 1.657 -1.680 -8.638 1.00 0.31 H new ATOM 0 HG SER A 15 3.183 -1.132 -10.296 1.00 0.74 H new ATOM 299 N LEU A 16 1.460 -4.500 -6.948 1.00 0.16 N ATOM 300 CA LEU A 16 2.017 -4.828 -5.624 1.00 0.14 C ATOM 301 C LEU A 16 3.298 -5.656 -5.685 1.00 0.14 C ATOM 302 O LEU A 16 4.323 -5.261 -5.131 1.00 0.16 O ATOM 303 CB LEU A 16 0.972 -5.574 -4.806 1.00 0.16 C ATOM 304 CG LEU A 16 0.342 -4.775 -3.671 1.00 0.16 C ATOM 305 CD1 LEU A 16 0.166 -3.314 -4.062 1.00 0.16 C ATOM 306 CD2 LEU A 16 -0.991 -5.394 -3.295 1.00 0.18 C ATOM 0 H LEU A 16 0.442 -4.551 -6.986 1.00 0.16 H new ATOM 0 HA LEU A 16 2.281 -3.880 -5.154 1.00 0.14 H new ATOM 0 HB2 LEU A 16 0.180 -5.908 -5.476 1.00 0.16 H new ATOM 0 HB3 LEU A 16 1.433 -6.468 -4.387 1.00 0.16 H new ATOM 0 HG LEU A 16 1.007 -4.806 -2.808 1.00 0.16 H new ATOM 0 HD11 LEU A 16 -0.285 -2.768 -3.234 1.00 0.16 H new ATOM 0 HD12 LEU A 16 1.138 -2.880 -4.296 1.00 0.16 H new ATOM 0 HD13 LEU A 16 -0.481 -3.247 -4.937 1.00 0.16 H new ATOM 0 HD21 LEU A 16 -1.441 -4.823 -2.483 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -1.655 -5.381 -4.160 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -0.836 -6.423 -2.972 1.00 0.18 H new ATOM 318 N TYR A 17 3.240 -6.800 -6.350 1.00 0.17 N ATOM 319 CA TYR A 17 4.395 -7.691 -6.426 1.00 0.20 C ATOM 320 C TYR A 17 5.579 -7.019 -7.124 1.00 0.24 C ATOM 321 O TYR A 17 6.734 -7.312 -6.821 1.00 0.34 O ATOM 322 CB TYR A 17 4.029 -9.004 -7.129 1.00 0.25 C ATOM 323 CG TYR A 17 3.419 -8.853 -8.507 1.00 0.63 C ATOM 324 CD1 TYR A 17 4.217 -8.674 -9.628 1.00 1.22 C ATOM 325 CD2 TYR A 17 2.044 -8.916 -8.686 1.00 0.69 C ATOM 326 CE1 TYR A 17 3.663 -8.558 -10.887 1.00 1.66 C ATOM 327 CE2 TYR A 17 1.482 -8.798 -9.941 1.00 1.08 C ATOM 328 CZ TYR A 17 2.296 -8.619 -11.038 1.00 1.53 C ATOM 329 OH TYR A 17 1.742 -8.514 -12.296 1.00 1.99 O ATOM 0 H TYR A 17 2.412 -7.135 -6.843 1.00 0.17 H new ATOM 0 HA TYR A 17 4.698 -7.920 -5.404 1.00 0.20 H new ATOM 0 HB2 TYR A 17 4.928 -9.615 -7.213 1.00 0.25 H new ATOM 0 HB3 TYR A 17 3.329 -9.552 -6.498 1.00 0.25 H new ATOM 0 HD1 TYR A 17 5.290 -8.625 -9.514 1.00 1.22 H new ATOM 0 HD2 TYR A 17 1.403 -9.060 -7.829 1.00 0.69 H new ATOM 0 HE1 TYR A 17 4.299 -8.420 -11.749 1.00 1.66 H new ATOM 0 HE2 TYR A 17 0.410 -8.846 -10.062 1.00 1.08 H new ATOM 0 HH TYR A 17 0.766 -8.578 -12.230 1.00 1.99 H new ATOM 339 N HIS A 18 5.282 -6.101 -8.034 1.00 0.22 N ATOM 340 CA HIS A 18 6.311 -5.387 -8.784 1.00 0.26 C ATOM 341 C HIS A 18 6.865 -4.244 -7.959 1.00 0.23 C ATOM 342 O HIS A 18 8.021 -3.857 -8.106 1.00 0.29 O ATOM 343 CB HIS A 18 5.721 -4.839 -10.093 1.00 0.31 C ATOM 344 CG HIS A 18 6.699 -4.075 -10.940 1.00 0.82 C ATOM 345 ND1 HIS A 18 6.980 -2.735 -10.756 1.00 1.62 N ATOM 346 CD2 HIS A 18 7.456 -4.471 -11.989 1.00 1.37 C ATOM 347 CE1 HIS A 18 7.866 -2.346 -11.652 1.00 1.96 C ATOM 348 NE2 HIS A 18 8.171 -3.379 -12.412 1.00 1.74 N ATOM 0 H HIS A 18 4.328 -5.830 -8.273 1.00 0.22 H new ATOM 0 HA HIS A 18 7.118 -6.082 -9.015 1.00 0.26 H new ATOM 0 HB2 HIS A 18 5.326 -5.671 -10.676 1.00 0.31 H new ATOM 0 HB3 HIS A 18 4.879 -4.189 -9.854 1.00 0.31 H new ATOM 0 HD2 HIS A 18 7.491 -5.463 -12.415 1.00 1.37 H new ATOM 0 HE1 HIS A 18 8.273 -1.350 -11.747 1.00 1.96 H new ATOM 0 HE2 HIS A 18 8.832 -3.368 -13.189 1.00 1.74 H new ATOM 357 N VAL A 19 6.023 -3.728 -7.091 1.00 0.17 N ATOM 358 CA VAL A 19 6.343 -2.574 -6.280 1.00 0.16 C ATOM 359 C VAL A 19 7.624 -2.788 -5.474 1.00 0.17 C ATOM 360 O VAL A 19 8.488 -1.911 -5.410 1.00 0.20 O ATOM 361 CB VAL A 19 5.163 -2.252 -5.339 1.00 0.15 C ATOM 362 CG1 VAL A 19 5.580 -1.294 -4.256 1.00 0.18 C ATOM 363 CG2 VAL A 19 4.001 -1.670 -6.122 1.00 0.19 C ATOM 0 H VAL A 19 5.088 -4.101 -6.927 1.00 0.17 H new ATOM 0 HA VAL A 19 6.514 -1.729 -6.947 1.00 0.16 H new ATOM 0 HB VAL A 19 4.846 -3.185 -4.872 1.00 0.15 H new ATOM 0 HG11 VAL A 19 4.729 -1.085 -3.608 1.00 0.18 H new ATOM 0 HG12 VAL A 19 6.384 -1.737 -3.668 1.00 0.18 H new ATOM 0 HG13 VAL A 19 5.930 -0.365 -4.707 1.00 0.18 H new ATOM 0 HG21 VAL A 19 3.178 -1.449 -5.442 1.00 0.19 H new ATOM 0 HG22 VAL A 19 4.319 -0.752 -6.617 1.00 0.19 H new ATOM 0 HG23 VAL A 19 3.670 -2.390 -6.871 1.00 0.19 H new ATOM 373 N LEU A 20 7.752 -3.963 -4.884 1.00 0.18 N ATOM 374 CA LEU A 20 8.886 -4.254 -4.012 1.00 0.24 C ATOM 375 C LEU A 20 9.683 -5.466 -4.488 1.00 0.27 C ATOM 376 O LEU A 20 10.870 -5.590 -4.186 1.00 0.33 O ATOM 377 CB LEU A 20 8.427 -4.438 -2.560 1.00 0.28 C ATOM 378 CG LEU A 20 6.956 -4.818 -2.366 1.00 0.23 C ATOM 379 CD1 LEU A 20 6.654 -6.170 -2.983 1.00 0.25 C ATOM 380 CD2 LEU A 20 6.610 -4.820 -0.885 1.00 0.28 C ATOM 0 H LEU A 20 7.090 -4.732 -4.989 1.00 0.18 H new ATOM 0 HA LEU A 20 9.553 -3.393 -4.057 1.00 0.24 H new ATOM 0 HB2 LEU A 20 9.045 -5.208 -2.099 1.00 0.28 H new ATOM 0 HB3 LEU A 20 8.617 -3.511 -2.019 1.00 0.28 H new ATOM 0 HG LEU A 20 6.341 -4.075 -2.873 1.00 0.23 H new ATOM 0 HD11 LEU A 20 5.603 -6.413 -2.830 1.00 0.25 H new ATOM 0 HD12 LEU A 20 6.867 -6.138 -4.052 1.00 0.25 H new ATOM 0 HD13 LEU A 20 7.275 -6.932 -2.512 1.00 0.25 H new ATOM 0 HD21 LEU A 20 5.562 -5.091 -0.757 1.00 0.28 H new ATOM 0 HD22 LEU A 20 7.238 -5.543 -0.366 1.00 0.28 H new ATOM 0 HD23 LEU A 20 6.781 -3.827 -0.470 1.00 0.28 H new ATOM 392 N GLY A 21 9.037 -6.355 -5.233 1.00 0.27 N ATOM 393 CA GLY A 21 9.717 -7.546 -5.717 1.00 0.32 C ATOM 394 C GLY A 21 9.453 -8.769 -4.857 1.00 0.34 C ATOM 395 O GLY A 21 10.340 -9.599 -4.653 1.00 0.65 O ATOM 0 H GLY A 21 8.059 -6.275 -5.511 1.00 0.27 H new ATOM 0 HA2 GLY A 21 9.397 -7.751 -6.739 1.00 0.32 H new ATOM 0 HA3 GLY A 21 10.790 -7.357 -5.751 1.00 0.32 H new ATOM 399 N LEU A 22 8.235 -8.877 -4.348 1.00 0.19 N ATOM 400 CA LEU A 22 7.823 -10.022 -3.545 1.00 0.16 C ATOM 401 C LEU A 22 6.317 -10.195 -3.703 1.00 0.17 C ATOM 402 O LEU A 22 5.632 -9.251 -4.094 1.00 0.19 O ATOM 403 CB LEU A 22 8.193 -9.803 -2.064 1.00 0.14 C ATOM 404 CG LEU A 22 8.519 -11.068 -1.242 1.00 0.15 C ATOM 405 CD1 LEU A 22 8.802 -12.262 -2.142 1.00 0.19 C ATOM 406 CD2 LEU A 22 9.722 -10.822 -0.348 1.00 0.18 C ATOM 0 H LEU A 22 7.505 -8.177 -4.478 1.00 0.19 H new ATOM 0 HA LEU A 22 8.338 -10.921 -3.883 1.00 0.16 H new ATOM 0 HB2 LEU A 22 9.055 -9.137 -2.022 1.00 0.14 H new ATOM 0 HB3 LEU A 22 7.366 -9.284 -1.579 1.00 0.14 H new ATOM 0 HG LEU A 22 7.644 -11.293 -0.631 1.00 0.15 H new ATOM 0 HD11 LEU A 22 9.028 -13.134 -1.529 1.00 0.19 H new ATOM 0 HD12 LEU A 22 7.927 -12.468 -2.759 1.00 0.19 H new ATOM 0 HD13 LEU A 22 9.654 -12.040 -2.784 1.00 0.19 H new ATOM 0 HD21 LEU A 22 9.940 -11.723 0.225 1.00 0.18 H new ATOM 0 HD22 LEU A 22 10.585 -10.565 -0.962 1.00 0.18 H new ATOM 0 HD23 LEU A 22 9.506 -10.001 0.335 1.00 0.18 H new ATOM 418 N ASP A 23 5.811 -11.390 -3.421 1.00 0.18 N ATOM 419 CA ASP A 23 4.377 -11.668 -3.505 1.00 0.21 C ATOM 420 C ASP A 23 4.088 -13.098 -3.120 1.00 0.23 C ATOM 421 O ASP A 23 4.443 -14.009 -3.851 1.00 0.26 O ATOM 422 CB ASP A 23 3.812 -11.419 -4.914 1.00 0.29 C ATOM 423 CG ASP A 23 4.448 -12.280 -5.997 1.00 1.05 C ATOM 424 OD1 ASP A 23 5.589 -11.979 -6.410 1.00 1.77 O ATOM 425 OD2 ASP A 23 3.811 -13.264 -6.437 1.00 1.13 O ATOM 0 H ASP A 23 6.375 -12.189 -3.130 1.00 0.18 H new ATOM 0 HA ASP A 23 3.892 -10.982 -2.810 1.00 0.21 H new ATOM 0 HB2 ASP A 23 2.738 -11.604 -4.901 1.00 0.29 H new ATOM 0 HB3 ASP A 23 3.952 -10.369 -5.170 1.00 0.29 H new ATOM 430 N LYS A 24 3.476 -13.275 -1.946 1.00 0.23 N ATOM 431 CA LYS A 24 2.913 -14.562 -1.475 1.00 0.28 C ATOM 432 C LYS A 24 3.830 -15.780 -1.654 1.00 0.28 C ATOM 433 O LYS A 24 3.407 -16.911 -1.430 1.00 0.34 O ATOM 434 CB LYS A 24 1.565 -14.822 -2.157 1.00 0.35 C ATOM 435 CG LYS A 24 1.653 -14.915 -3.669 1.00 0.37 C ATOM 436 CD LYS A 24 1.566 -16.347 -4.155 1.00 0.43 C ATOM 437 CE LYS A 24 2.804 -16.715 -4.942 1.00 0.50 C ATOM 438 NZ LYS A 24 2.970 -15.860 -6.150 1.00 1.42 N ATOM 0 H LYS A 24 3.351 -12.517 -1.275 1.00 0.23 H new ATOM 0 HA LYS A 24 2.793 -14.446 -0.398 1.00 0.28 H new ATOM 0 HB2 LYS A 24 1.145 -15.750 -1.769 1.00 0.35 H new ATOM 0 HB3 LYS A 24 0.873 -14.023 -1.891 1.00 0.35 H new ATOM 0 HG2 LYS A 24 0.848 -14.331 -4.116 1.00 0.37 H new ATOM 0 HG3 LYS A 24 2.591 -14.474 -4.005 1.00 0.37 H new ATOM 0 HD2 LYS A 24 1.455 -17.020 -3.305 1.00 0.43 H new ATOM 0 HD3 LYS A 24 0.681 -16.473 -4.778 1.00 0.43 H new ATOM 0 HE2 LYS A 24 3.682 -16.616 -4.304 1.00 0.50 H new ATOM 0 HE3 LYS A 24 2.745 -17.761 -5.243 1.00 0.50 H new ATOM 0 HZ1 LYS A 24 3.574 -16.349 -6.841 1.00 1.42 H new ATOM 0 HZ2 LYS A 24 2.039 -15.674 -6.574 1.00 1.42 H new ATOM 0 HZ3 LYS A 24 3.414 -14.959 -5.879 1.00 1.42 H new ATOM 452 N ASN A 25 5.068 -15.560 -2.044 1.00 0.25 N ATOM 453 CA ASN A 25 6.034 -16.632 -2.115 1.00 0.28 C ATOM 454 C ASN A 25 6.789 -16.650 -0.811 1.00 0.25 C ATOM 455 O ASN A 25 7.168 -17.694 -0.282 1.00 0.31 O ATOM 456 CB ASN A 25 7.032 -16.443 -3.268 1.00 0.31 C ATOM 457 CG ASN A 25 6.439 -16.691 -4.642 1.00 0.35 C ATOM 458 OD1 ASN A 25 6.348 -17.830 -5.092 1.00 0.40 O ATOM 459 ND2 ASN A 25 6.066 -15.627 -5.336 1.00 0.37 N ATOM 0 H ASN A 25 5.428 -14.646 -2.317 1.00 0.25 H new ATOM 0 HA ASN A 25 5.505 -17.568 -2.295 1.00 0.28 H new ATOM 0 HB2 ASN A 25 7.426 -15.427 -3.231 1.00 0.31 H new ATOM 0 HB3 ASN A 25 7.875 -17.118 -3.120 1.00 0.31 H new ATOM 0 HD21 ASN A 25 5.688 -15.739 -6.277 1.00 0.37 H new ATOM 0 HD22 ASN A 25 6.156 -14.696 -4.930 1.00 0.37 H new ATOM 466 N ALA A 26 6.973 -15.447 -0.301 1.00 0.20 N ATOM 467 CA ALA A 26 7.695 -15.208 0.922 1.00 0.19 C ATOM 468 C ALA A 26 6.797 -15.376 2.113 1.00 0.19 C ATOM 469 O ALA A 26 5.569 -15.336 2.009 1.00 0.24 O ATOM 470 CB ALA A 26 8.262 -13.812 0.899 1.00 0.18 C ATOM 0 H ALA A 26 6.616 -14.597 -0.737 1.00 0.20 H new ATOM 0 HA ALA A 26 8.504 -15.934 1.001 1.00 0.19 H new ATOM 0 HB1 ALA A 26 8.810 -13.626 1.823 1.00 0.18 H new ATOM 0 HB2 ALA A 26 8.937 -13.708 0.050 1.00 0.18 H new ATOM 0 HB3 ALA A 26 7.450 -13.091 0.808 1.00 0.18 H new ATOM 476 N THR A 27 7.435 -15.564 3.236 1.00 0.21 N ATOM 477 CA THR A 27 6.762 -15.679 4.495 1.00 0.24 C ATOM 478 C THR A 27 6.372 -14.293 4.980 1.00 0.21 C ATOM 479 O THR A 27 6.646 -13.294 4.305 1.00 0.21 O ATOM 480 CB THR A 27 7.706 -16.342 5.509 1.00 0.30 C ATOM 481 OG1 THR A 27 8.765 -15.437 5.846 1.00 0.33 O ATOM 482 CG2 THR A 27 8.308 -17.600 4.912 1.00 0.35 C ATOM 0 H THR A 27 8.450 -15.642 3.300 1.00 0.21 H new ATOM 0 HA THR A 27 5.864 -16.287 4.386 1.00 0.24 H new ATOM 0 HB THR A 27 7.137 -16.597 6.403 1.00 0.30 H new ATOM 0 HG1 THR A 27 9.453 -15.464 5.148 1.00 0.33 H new ATOM 0 HG21 THR A 27 8.976 -18.064 5.638 1.00 0.35 H new ATOM 0 HG22 THR A 27 7.511 -18.298 4.655 1.00 0.35 H new ATOM 0 HG23 THR A 27 8.870 -17.344 4.014 1.00 0.35 H new ATOM 490 N SER A 28 5.750 -14.221 6.141 1.00 0.26 N ATOM 491 CA SER A 28 5.454 -12.939 6.746 1.00 0.32 C ATOM 492 C SER A 28 6.738 -12.206 7.094 1.00 0.31 C ATOM 493 O SER A 28 6.723 -11.026 7.406 1.00 0.41 O ATOM 494 CB SER A 28 4.550 -13.103 7.971 1.00 0.40 C ATOM 495 OG SER A 28 5.023 -14.122 8.846 1.00 1.54 O ATOM 0 H SER A 28 5.442 -15.030 6.680 1.00 0.26 H new ATOM 0 HA SER A 28 4.909 -12.334 6.021 1.00 0.32 H new ATOM 0 HB2 SER A 28 4.495 -12.158 8.511 1.00 0.40 H new ATOM 0 HB3 SER A 28 3.538 -13.344 7.646 1.00 0.40 H new ATOM 0 HG SER A 28 4.422 -14.196 9.617 1.00 1.54 H new ATOM 501 N ASP A 29 7.844 -12.922 7.041 1.00 0.27 N ATOM 502 CA ASP A 29 9.147 -12.345 7.321 1.00 0.34 C ATOM 503 C ASP A 29 9.762 -11.691 6.083 1.00 0.32 C ATOM 504 O ASP A 29 10.128 -10.514 6.127 1.00 0.44 O ATOM 505 CB ASP A 29 10.104 -13.400 7.875 1.00 0.38 C ATOM 506 CG ASP A 29 11.467 -12.817 8.198 1.00 0.97 C ATOM 507 OD1 ASP A 29 11.541 -11.907 9.050 1.00 0.96 O ATOM 508 OD2 ASP A 29 12.471 -13.275 7.613 1.00 1.68 O ATOM 0 H ASP A 29 7.867 -13.914 6.804 1.00 0.27 H new ATOM 0 HA ASP A 29 8.993 -11.570 8.072 1.00 0.34 H new ATOM 0 HB2 ASP A 29 9.676 -13.841 8.775 1.00 0.38 H new ATOM 0 HB3 ASP A 29 10.217 -14.205 7.148 1.00 0.38 H new ATOM 513 N ASP A 30 9.854 -12.428 4.967 1.00 0.22 N ATOM 514 CA ASP A 30 10.611 -11.941 3.810 1.00 0.21 C ATOM 515 C ASP A 30 9.914 -10.759 3.156 1.00 0.16 C ATOM 516 O ASP A 30 10.553 -9.766 2.811 1.00 0.17 O ATOM 517 CB ASP A 30 10.835 -13.055 2.783 1.00 0.23 C ATOM 518 CG ASP A 30 11.761 -14.144 3.278 1.00 0.89 C ATOM 519 OD1 ASP A 30 12.993 -13.938 3.273 1.00 1.22 O ATOM 520 OD2 ASP A 30 11.260 -15.217 3.671 1.00 1.81 O ATOM 0 H ASP A 30 9.423 -13.344 4.843 1.00 0.22 H new ATOM 0 HA ASP A 30 11.583 -11.610 4.175 1.00 0.21 H new ATOM 0 HB2 ASP A 30 9.874 -13.496 2.520 1.00 0.23 H new ATOM 0 HB3 ASP A 30 11.248 -12.623 1.872 1.00 0.23 H new ATOM 525 N ILE A 31 8.606 -10.876 2.984 1.00 0.14 N ATOM 526 CA ILE A 31 7.797 -9.804 2.430 1.00 0.14 C ATOM 527 C ILE A 31 7.982 -8.480 3.186 1.00 0.14 C ATOM 528 O ILE A 31 8.004 -7.410 2.576 1.00 0.16 O ATOM 529 CB ILE A 31 6.323 -10.224 2.397 1.00 0.21 C ATOM 530 CG1 ILE A 31 6.182 -11.330 1.362 1.00 0.38 C ATOM 531 CG2 ILE A 31 5.418 -9.050 2.061 1.00 0.16 C ATOM 532 CD1 ILE A 31 4.911 -12.110 1.463 1.00 0.42 C ATOM 0 H ILE A 31 8.078 -11.715 3.224 1.00 0.14 H new ATOM 0 HA ILE A 31 8.137 -9.625 1.410 1.00 0.14 H new ATOM 0 HB ILE A 31 6.017 -10.581 3.381 1.00 0.21 H new ATOM 0 HG12 ILE A 31 6.246 -10.890 0.367 1.00 0.38 H new ATOM 0 HG13 ILE A 31 7.024 -12.015 1.463 1.00 0.38 H new ATOM 0 HG21 ILE A 31 4.380 -9.383 2.046 1.00 0.16 H new ATOM 0 HG22 ILE A 31 5.538 -8.271 2.814 1.00 0.16 H new ATOM 0 HG23 ILE A 31 5.686 -8.653 1.082 1.00 0.16 H new ATOM 0 HD11 ILE A 31 4.892 -12.877 0.689 1.00 0.42 H new ATOM 0 HD12 ILE A 31 4.851 -12.582 2.443 1.00 0.42 H new ATOM 0 HD13 ILE A 31 4.061 -11.440 1.330 1.00 0.42 H new ATOM 544 N LYS A 32 8.149 -8.553 4.503 1.00 0.17 N ATOM 545 CA LYS A 32 8.365 -7.346 5.302 1.00 0.21 C ATOM 546 C LYS A 32 9.715 -6.717 4.976 1.00 0.20 C ATOM 547 O LYS A 32 9.823 -5.505 4.822 1.00 0.21 O ATOM 548 CB LYS A 32 8.289 -7.651 6.798 1.00 0.29 C ATOM 549 CG LYS A 32 6.959 -8.234 7.221 1.00 0.33 C ATOM 550 CD LYS A 32 5.800 -7.361 6.785 1.00 0.35 C ATOM 551 CE LYS A 32 4.483 -8.101 6.888 1.00 0.43 C ATOM 552 NZ LYS A 32 4.160 -8.487 8.288 1.00 0.88 N ATOM 0 H LYS A 32 8.140 -9.422 5.037 1.00 0.17 H new ATOM 0 HA LYS A 32 7.572 -6.641 5.050 1.00 0.21 H new ATOM 0 HB2 LYS A 32 9.084 -8.349 7.061 1.00 0.29 H new ATOM 0 HB3 LYS A 32 8.471 -6.734 7.359 1.00 0.29 H new ATOM 0 HG2 LYS A 32 6.846 -9.230 6.793 1.00 0.33 H new ATOM 0 HG3 LYS A 32 6.940 -8.349 8.305 1.00 0.33 H new ATOM 0 HD2 LYS A 32 5.765 -6.464 7.404 1.00 0.35 H new ATOM 0 HD3 LYS A 32 5.956 -7.033 5.757 1.00 0.35 H new ATOM 0 HE2 LYS A 32 3.684 -7.473 6.493 1.00 0.43 H new ATOM 0 HE3 LYS A 32 4.522 -8.996 6.267 1.00 0.43 H new ATOM 0 HZ1 LYS A 32 3.213 -8.915 8.320 1.00 0.88 H new ATOM 0 HZ2 LYS A 32 4.862 -9.174 8.629 1.00 0.88 H new ATOM 0 HZ3 LYS A 32 4.179 -7.642 8.894 1.00 0.88 H new ATOM 566 N LYS A 33 10.738 -7.556 4.865 1.00 0.21 N ATOM 567 CA LYS A 33 12.085 -7.098 4.525 1.00 0.22 C ATOM 568 C LYS A 33 12.097 -6.495 3.127 1.00 0.19 C ATOM 569 O LYS A 33 12.756 -5.486 2.878 1.00 0.19 O ATOM 570 CB LYS A 33 13.066 -8.271 4.571 1.00 0.28 C ATOM 571 CG LYS A 33 13.021 -9.063 5.865 1.00 0.35 C ATOM 572 CD LYS A 33 13.628 -8.290 7.023 1.00 0.49 C ATOM 573 CE LYS A 33 13.521 -9.071 8.322 1.00 0.62 C ATOM 574 NZ LYS A 33 14.324 -8.454 9.410 1.00 1.41 N ATOM 0 H LYS A 33 10.662 -8.563 5.006 1.00 0.21 H new ATOM 0 HA LYS A 33 12.386 -6.342 5.250 1.00 0.22 H new ATOM 0 HB2 LYS A 33 12.853 -8.942 3.739 1.00 0.28 H new ATOM 0 HB3 LYS A 33 14.077 -7.892 4.424 1.00 0.28 H new ATOM 0 HG2 LYS A 33 11.987 -9.316 6.100 1.00 0.35 H new ATOM 0 HG3 LYS A 33 13.558 -10.003 5.735 1.00 0.35 H new ATOM 0 HD2 LYS A 33 14.675 -8.075 6.811 1.00 0.49 H new ATOM 0 HD3 LYS A 33 13.120 -7.331 7.129 1.00 0.49 H new ATOM 0 HE2 LYS A 33 12.476 -9.124 8.628 1.00 0.62 H new ATOM 0 HE3 LYS A 33 13.858 -10.095 8.158 1.00 0.62 H new ATOM 0 HZ1 LYS A 33 14.223 -9.018 10.278 1.00 1.41 H new ATOM 0 HZ2 LYS A 33 15.325 -8.426 9.130 1.00 1.41 H new ATOM 0 HZ3 LYS A 33 13.986 -7.486 9.585 1.00 1.41 H new ATOM 588 N SER A 34 11.354 -7.131 2.223 1.00 0.18 N ATOM 589 CA SER A 34 11.222 -6.654 0.850 1.00 0.18 C ATOM 590 C SER A 34 10.669 -5.239 0.835 1.00 0.19 C ATOM 591 O SER A 34 10.920 -4.473 -0.088 1.00 0.30 O ATOM 592 CB SER A 34 10.296 -7.569 0.050 1.00 0.21 C ATOM 593 OG SER A 34 10.316 -7.240 -1.331 1.00 0.26 O ATOM 0 H SER A 34 10.831 -7.984 2.420 1.00 0.18 H new ATOM 0 HA SER A 34 12.211 -6.660 0.392 1.00 0.18 H new ATOM 0 HB2 SER A 34 10.602 -8.607 0.184 1.00 0.21 H new ATOM 0 HB3 SER A 34 9.279 -7.485 0.432 1.00 0.21 H new ATOM 0 HG SER A 34 10.903 -7.863 -1.807 1.00 0.26 H new ATOM 599 N TYR A 35 9.890 -4.919 1.853 1.00 0.17 N ATOM 600 CA TYR A 35 9.395 -3.572 2.037 1.00 0.18 C ATOM 601 C TYR A 35 10.457 -2.703 2.678 1.00 0.18 C ATOM 602 O TYR A 35 10.813 -1.677 2.147 1.00 0.26 O ATOM 603 CB TYR A 35 8.136 -3.571 2.911 1.00 0.22 C ATOM 604 CG TYR A 35 7.836 -2.229 3.559 1.00 0.24 C ATOM 605 CD1 TYR A 35 7.388 -1.155 2.808 1.00 0.33 C ATOM 606 CD2 TYR A 35 7.997 -2.046 4.929 1.00 0.29 C ATOM 607 CE1 TYR A 35 7.107 0.064 3.397 1.00 0.40 C ATOM 608 CE2 TYR A 35 7.719 -0.830 5.526 1.00 0.38 C ATOM 609 CZ TYR A 35 7.273 0.222 4.755 1.00 0.42 C ATOM 610 OH TYR A 35 6.988 1.435 5.345 1.00 0.51 O ATOM 0 H TYR A 35 9.587 -5.581 2.568 1.00 0.17 H new ATOM 0 HA TYR A 35 9.144 -3.168 1.056 1.00 0.18 H new ATOM 0 HB2 TYR A 35 7.282 -3.868 2.301 1.00 0.22 H new ATOM 0 HB3 TYR A 35 8.247 -4.323 3.692 1.00 0.22 H new ATOM 0 HD1 TYR A 35 7.256 -1.272 1.743 1.00 0.33 H new ATOM 0 HD2 TYR A 35 8.345 -2.868 5.537 1.00 0.29 H new ATOM 0 HE1 TYR A 35 6.758 0.890 2.794 1.00 0.40 H new ATOM 0 HE2 TYR A 35 7.851 -0.705 6.591 1.00 0.38 H new ATOM 0 HH TYR A 35 6.145 1.783 4.986 1.00 0.51 H new ATOM 620 N ARG A 36 10.977 -3.156 3.804 1.00 0.16 N ATOM 621 CA ARG A 36 11.798 -2.321 4.682 1.00 0.19 C ATOM 622 C ARG A 36 13.030 -1.751 3.996 1.00 0.21 C ATOM 623 O ARG A 36 13.095 -0.553 3.745 1.00 0.23 O ATOM 624 CB ARG A 36 12.234 -3.102 5.904 1.00 0.25 C ATOM 625 CG ARG A 36 11.091 -3.481 6.819 1.00 0.29 C ATOM 626 CD ARG A 36 11.611 -4.039 8.125 1.00 0.42 C ATOM 627 NE ARG A 36 10.548 -4.597 8.960 1.00 0.83 N ATOM 628 CZ ARG A 36 10.765 -5.167 10.147 1.00 1.30 C ATOM 629 NH1 ARG A 36 11.994 -5.200 10.651 1.00 1.53 N ATOM 630 NH2 ARG A 36 9.756 -5.697 10.830 1.00 1.74 N ATOM 0 H ARG A 36 10.847 -4.110 4.141 1.00 0.16 H new ATOM 0 HA ARG A 36 11.165 -1.482 4.970 1.00 0.19 H new ATOM 0 HB2 ARG A 36 12.747 -4.008 5.582 1.00 0.25 H new ATOM 0 HB3 ARG A 36 12.957 -2.509 6.465 1.00 0.25 H new ATOM 0 HG2 ARG A 36 10.470 -2.607 7.014 1.00 0.29 H new ATOM 0 HG3 ARG A 36 10.457 -4.220 6.329 1.00 0.29 H new ATOM 0 HD2 ARG A 36 12.349 -4.814 7.917 1.00 0.42 H new ATOM 0 HD3 ARG A 36 12.124 -3.250 8.675 1.00 0.42 H new ATOM 0 HE ARG A 36 9.589 -4.548 8.617 1.00 0.83 H new ATOM 0 HH11 ARG A 36 12.770 -4.790 10.131 1.00 1.53 H new ATOM 0 HH12 ARG A 36 12.162 -5.635 11.558 1.00 1.53 H new ATOM 0 HH21 ARG A 36 8.811 -5.669 10.447 1.00 1.74 H new ATOM 0 HH22 ARG A 36 9.927 -6.132 11.737 1.00 1.74 H new ATOM 644 N LYS A 37 13.999 -2.607 3.693 1.00 0.35 N ATOM 645 CA LYS A 37 15.271 -2.167 3.104 1.00 0.45 C ATOM 646 C LYS A 37 15.044 -1.412 1.797 1.00 0.40 C ATOM 647 O LYS A 37 15.883 -0.630 1.353 1.00 0.43 O ATOM 648 CB LYS A 37 16.178 -3.373 2.849 1.00 0.67 C ATOM 649 CG LYS A 37 15.568 -4.394 1.904 1.00 0.78 C ATOM 650 CD LYS A 37 16.488 -5.578 1.684 1.00 1.04 C ATOM 651 CE LYS A 37 15.836 -6.622 0.796 1.00 0.85 C ATOM 652 NZ LYS A 37 16.722 -7.789 0.570 1.00 1.37 N ATOM 0 H LYS A 37 13.934 -3.614 3.844 1.00 0.35 H new ATOM 0 HA LYS A 37 15.751 -1.492 3.812 1.00 0.45 H new ATOM 0 HB2 LYS A 37 17.125 -3.026 2.436 1.00 0.67 H new ATOM 0 HB3 LYS A 37 16.403 -3.857 3.799 1.00 0.67 H new ATOM 0 HG2 LYS A 37 14.618 -4.742 2.309 1.00 0.78 H new ATOM 0 HG3 LYS A 37 15.351 -3.919 0.947 1.00 0.78 H new ATOM 0 HD2 LYS A 37 17.418 -5.239 1.229 1.00 1.04 H new ATOM 0 HD3 LYS A 37 16.747 -6.024 2.644 1.00 1.04 H new ATOM 0 HE2 LYS A 37 14.905 -6.957 1.253 1.00 0.85 H new ATOM 0 HE3 LYS A 37 15.577 -6.172 -0.162 1.00 0.85 H new ATOM 0 HZ1 LYS A 37 16.239 -8.478 -0.041 1.00 1.37 H new ATOM 0 HZ2 LYS A 37 17.600 -7.474 0.110 1.00 1.37 H new ATOM 0 HZ3 LYS A 37 16.949 -8.234 1.482 1.00 1.37 H new ATOM 666 N LEU A 38 13.898 -1.659 1.198 1.00 0.45 N ATOM 667 CA LEU A 38 13.523 -1.064 -0.064 1.00 0.61 C ATOM 668 C LEU A 38 12.733 0.238 0.192 1.00 0.60 C ATOM 669 O LEU A 38 12.706 1.145 -0.637 1.00 0.76 O ATOM 670 CB LEU A 38 12.778 -2.174 -0.849 1.00 1.00 C ATOM 671 CG LEU A 38 11.644 -1.819 -1.815 1.00 0.27 C ATOM 672 CD1 LEU A 38 10.414 -1.381 -1.047 1.00 0.57 C ATOM 673 CD2 LEU A 38 12.075 -0.775 -2.830 1.00 0.44 C ATOM 0 H LEU A 38 13.192 -2.288 1.581 1.00 0.45 H new ATOM 0 HA LEU A 38 14.364 -0.737 -0.676 1.00 0.61 H new ATOM 0 HB2 LEU A 38 13.527 -2.721 -1.421 1.00 1.00 H new ATOM 0 HB3 LEU A 38 12.369 -2.867 -0.114 1.00 1.00 H new ATOM 0 HG LEU A 38 11.388 -2.715 -2.380 1.00 0.27 H new ATOM 0 HD11 LEU A 38 9.617 -1.132 -1.748 1.00 0.57 H new ATOM 0 HD12 LEU A 38 10.085 -2.190 -0.395 1.00 0.57 H new ATOM 0 HD13 LEU A 38 10.654 -0.505 -0.445 1.00 0.57 H new ATOM 0 HD21 LEU A 38 11.243 -0.550 -3.497 1.00 0.44 H new ATOM 0 HD22 LEU A 38 12.379 0.134 -2.311 1.00 0.44 H new ATOM 0 HD23 LEU A 38 12.913 -1.158 -3.412 1.00 0.44 H new ATOM 685 N ALA A 39 12.170 0.340 1.392 1.00 0.49 N ATOM 686 CA ALA A 39 11.351 1.480 1.793 1.00 0.59 C ATOM 687 C ALA A 39 12.210 2.677 2.154 1.00 0.57 C ATOM 688 O ALA A 39 12.043 3.751 1.579 1.00 0.72 O ATOM 689 CB ALA A 39 10.448 1.115 2.959 1.00 0.59 C ATOM 0 H ALA A 39 12.269 -0.370 2.118 1.00 0.49 H new ATOM 0 HA ALA A 39 10.729 1.751 0.940 1.00 0.59 H new ATOM 0 HB1 ALA A 39 9.848 1.981 3.239 1.00 0.59 H new ATOM 0 HB2 ALA A 39 9.790 0.296 2.667 1.00 0.59 H new ATOM 0 HB3 ALA A 39 11.057 0.806 3.808 1.00 0.59 H new ATOM 695 N LEU A 40 13.144 2.511 3.096 1.00 0.44 N ATOM 696 CA LEU A 40 14.044 3.622 3.414 1.00 0.51 C ATOM 697 C LEU A 40 14.969 3.919 2.231 1.00 0.46 C ATOM 698 O LEU A 40 15.647 4.942 2.192 1.00 0.58 O ATOM 699 CB LEU A 40 14.843 3.438 4.733 1.00 0.56 C ATOM 700 CG LEU A 40 15.445 2.059 5.071 1.00 0.51 C ATOM 701 CD1 LEU A 40 14.396 1.144 5.677 1.00 0.48 C ATOM 702 CD2 LEU A 40 16.096 1.408 3.860 1.00 0.44 C ATOM 0 H LEU A 40 13.294 1.656 3.631 1.00 0.44 H new ATOM 0 HA LEU A 40 13.405 4.487 3.592 1.00 0.51 H new ATOM 0 HB2 LEU A 40 15.662 4.158 4.722 1.00 0.56 H new ATOM 0 HB3 LEU A 40 14.184 3.717 5.555 1.00 0.56 H new ATOM 0 HG LEU A 40 16.229 2.223 5.810 1.00 0.51 H new ATOM 0 HD11 LEU A 40 14.845 0.178 5.907 1.00 0.48 H new ATOM 0 HD12 LEU A 40 14.009 1.591 6.593 1.00 0.48 H new ATOM 0 HD13 LEU A 40 13.580 1.006 4.967 1.00 0.48 H new ATOM 0 HD21 LEU A 40 16.506 0.439 4.144 1.00 0.44 H new ATOM 0 HD22 LEU A 40 15.351 1.271 3.076 1.00 0.44 H new ATOM 0 HD23 LEU A 40 16.898 2.047 3.490 1.00 0.44 H new ATOM 714 N LYS A 41 14.938 3.036 1.245 1.00 0.37 N ATOM 715 CA LYS A 41 15.713 3.201 0.032 1.00 0.40 C ATOM 716 C LYS A 41 14.989 4.168 -0.915 1.00 0.39 C ATOM 717 O LYS A 41 15.588 4.740 -1.826 1.00 0.48 O ATOM 718 CB LYS A 41 15.939 1.809 -0.583 1.00 0.51 C ATOM 719 CG LYS A 41 16.503 1.778 -1.994 1.00 0.62 C ATOM 720 CD LYS A 41 15.387 1.693 -3.016 1.00 0.65 C ATOM 721 CE LYS A 41 15.888 1.272 -4.385 1.00 0.72 C ATOM 722 NZ LYS A 41 16.937 2.185 -4.909 1.00 1.41 N ATOM 0 H LYS A 41 14.374 2.186 1.266 1.00 0.37 H new ATOM 0 HA LYS A 41 16.689 3.642 0.236 1.00 0.40 H new ATOM 0 HB2 LYS A 41 16.615 1.254 0.067 1.00 0.51 H new ATOM 0 HB3 LYS A 41 14.988 1.277 -0.583 1.00 0.51 H new ATOM 0 HG2 LYS A 41 17.099 2.673 -2.172 1.00 0.62 H new ATOM 0 HG3 LYS A 41 17.171 0.924 -2.105 1.00 0.62 H new ATOM 0 HD2 LYS A 41 14.636 0.981 -2.672 1.00 0.65 H new ATOM 0 HD3 LYS A 41 14.895 2.662 -3.094 1.00 0.65 H new ATOM 0 HE2 LYS A 41 16.287 0.259 -4.327 1.00 0.72 H new ATOM 0 HE3 LYS A 41 15.051 1.246 -5.083 1.00 0.72 H new ATOM 0 HZ1 LYS A 41 17.162 1.927 -5.891 1.00 1.41 H new ATOM 0 HZ2 LYS A 41 16.591 3.165 -4.879 1.00 1.41 H new ATOM 0 HZ3 LYS A 41 17.793 2.102 -4.324 1.00 1.41 H new ATOM 736 N TYR A 42 13.698 4.373 -0.658 1.00 0.36 N ATOM 737 CA TYR A 42 12.894 5.328 -1.418 1.00 0.36 C ATOM 738 C TYR A 42 12.417 6.476 -0.534 1.00 0.40 C ATOM 739 O TYR A 42 11.613 7.299 -0.958 1.00 0.40 O ATOM 740 CB TYR A 42 11.682 4.643 -2.044 1.00 0.33 C ATOM 741 CG TYR A 42 11.974 3.971 -3.361 1.00 0.36 C ATOM 742 CD1 TYR A 42 11.977 4.688 -4.543 1.00 0.38 C ATOM 743 CD2 TYR A 42 12.261 2.616 -3.415 1.00 0.38 C ATOM 744 CE1 TYR A 42 12.258 4.074 -5.748 1.00 0.44 C ATOM 745 CE2 TYR A 42 12.541 1.992 -4.616 1.00 0.43 C ATOM 746 CZ TYR A 42 12.488 2.738 -5.795 1.00 0.45 C ATOM 747 OH TYR A 42 12.819 2.111 -6.977 1.00 0.52 O ATOM 0 H TYR A 42 13.184 3.886 0.076 1.00 0.36 H new ATOM 0 HA TYR A 42 13.531 5.728 -2.207 1.00 0.36 H new ATOM 0 HB2 TYR A 42 11.296 3.900 -1.346 1.00 0.33 H new ATOM 0 HB3 TYR A 42 10.895 5.382 -2.191 1.00 0.33 H new ATOM 0 HD1 TYR A 42 11.756 5.745 -4.524 1.00 0.38 H new ATOM 0 HD2 TYR A 42 12.266 2.038 -2.503 1.00 0.38 H new ATOM 0 HE1 TYR A 42 12.295 4.659 -6.655 1.00 0.44 H new ATOM 0 HE2 TYR A 42 12.797 0.943 -4.642 1.00 0.43 H new ATOM 0 HH TYR A 42 12.947 1.153 -6.814 1.00 0.52 H new ATOM 757 N HIS A 43 12.911 6.535 0.694 1.00 0.46 N ATOM 758 CA HIS A 43 12.500 7.590 1.614 1.00 0.53 C ATOM 759 C HIS A 43 13.153 8.909 1.208 1.00 0.56 C ATOM 760 O HIS A 43 14.378 9.002 1.175 1.00 0.62 O ATOM 761 CB HIS A 43 12.897 7.238 3.056 1.00 0.62 C ATOM 762 CG HIS A 43 11.898 7.673 4.089 1.00 0.71 C ATOM 763 ND1 HIS A 43 11.399 8.898 4.386 1.00 1.17 N flip ATOM 764 CD2 HIS A 43 11.304 6.800 4.977 1.00 0.87 C flip ATOM 765 CE1 HIS A 43 10.527 8.740 5.433 1.00 1.12 C flip ATOM 766 NE2 HIS A 43 10.488 7.468 5.771 1.00 0.87 N flip ATOM 0 H HIS A 43 13.589 5.875 1.075 1.00 0.46 H new ATOM 0 HA HIS A 43 11.416 7.689 1.567 1.00 0.53 H new ATOM 0 HB2 HIS A 43 13.035 6.159 3.131 1.00 0.62 H new ATOM 0 HB3 HIS A 43 13.859 7.699 3.280 1.00 0.62 H new ATOM 0 HD2 HIS A 43 11.479 5.735 5.016 1.00 0.87 H new ATOM 0 HE1 HIS A 43 9.963 9.531 5.904 1.00 1.12 H new ATOM 0 HE2 HIS A 43 9.923 7.067 6.519 1.00 0.87 H new ATOM 775 N PRO A 44 12.350 9.940 0.885 1.00 0.54 N ATOM 776 CA PRO A 44 12.858 11.277 0.520 1.00 0.58 C ATOM 777 C PRO A 44 13.714 11.889 1.621 1.00 0.68 C ATOM 778 O PRO A 44 14.505 12.797 1.380 1.00 0.72 O ATOM 779 CB PRO A 44 11.589 12.111 0.320 1.00 0.58 C ATOM 780 CG PRO A 44 10.512 11.337 0.998 1.00 0.57 C ATOM 781 CD PRO A 44 10.884 9.895 0.828 1.00 0.51 C ATOM 0 HA PRO A 44 13.499 11.234 -0.361 1.00 0.58 H new ATOM 0 HB2 PRO A 44 11.696 13.104 0.756 1.00 0.58 H new ATOM 0 HB3 PRO A 44 11.370 12.249 -0.739 1.00 0.58 H new ATOM 0 HG2 PRO A 44 10.443 11.602 2.053 1.00 0.57 H new ATOM 0 HG3 PRO A 44 9.539 11.546 0.553 1.00 0.57 H new ATOM 0 HD2 PRO A 44 10.466 9.271 1.618 1.00 0.51 H new ATOM 0 HD3 PRO A 44 10.526 9.492 -0.119 1.00 0.51 H new ATOM 789 N ASP A 45 13.523 11.400 2.836 1.00 0.74 N ATOM 790 CA ASP A 45 14.359 11.783 3.963 1.00 0.85 C ATOM 791 C ASP A 45 15.806 11.368 3.716 1.00 0.89 C ATOM 792 O ASP A 45 16.740 12.101 4.043 1.00 0.96 O ATOM 793 CB ASP A 45 13.837 11.130 5.243 1.00 0.92 C ATOM 794 CG ASP A 45 14.751 11.346 6.430 1.00 1.06 C ATOM 795 OD1 ASP A 45 14.706 12.438 7.031 1.00 1.11 O ATOM 796 OD2 ASP A 45 15.515 10.417 6.775 1.00 1.16 O ATOM 0 H ASP A 45 12.789 10.731 3.068 1.00 0.74 H new ATOM 0 HA ASP A 45 14.323 12.867 4.075 1.00 0.85 H new ATOM 0 HB2 ASP A 45 12.850 11.531 5.473 1.00 0.92 H new ATOM 0 HB3 ASP A 45 13.715 10.060 5.075 1.00 0.92 H new ATOM 801 N LYS A 46 15.978 10.197 3.116 1.00 0.87 N ATOM 802 CA LYS A 46 17.305 9.671 2.822 1.00 0.94 C ATOM 803 C LYS A 46 17.708 10.034 1.403 1.00 0.90 C ATOM 804 O LYS A 46 18.882 9.969 1.039 1.00 0.99 O ATOM 805 CB LYS A 46 17.341 8.149 2.974 1.00 1.00 C ATOM 806 CG LYS A 46 16.567 7.622 4.171 1.00 1.04 C ATOM 807 CD LYS A 46 16.990 6.207 4.523 1.00 1.13 C ATOM 808 CE LYS A 46 18.444 6.143 4.966 1.00 1.57 C ATOM 809 NZ LYS A 46 18.660 6.858 6.250 1.00 2.08 N ATOM 0 H LYS A 46 15.212 9.591 2.822 1.00 0.87 H new ATOM 0 HA LYS A 46 18.003 10.114 3.532 1.00 0.94 H new ATOM 0 HB2 LYS A 46 16.939 7.695 2.068 1.00 1.00 H new ATOM 0 HB3 LYS A 46 18.379 7.828 3.058 1.00 1.00 H new ATOM 0 HG2 LYS A 46 16.729 8.276 5.028 1.00 1.04 H new ATOM 0 HG3 LYS A 46 15.499 7.641 3.953 1.00 1.04 H new ATOM 0 HD2 LYS A 46 16.351 5.824 5.319 1.00 1.13 H new ATOM 0 HD3 LYS A 46 16.845 5.559 3.659 1.00 1.13 H new ATOM 0 HE2 LYS A 46 18.746 5.101 5.075 1.00 1.57 H new ATOM 0 HE3 LYS A 46 19.079 6.580 4.195 1.00 1.57 H new ATOM 0 HZ1 LYS A 46 19.609 6.639 6.614 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 18.577 7.883 6.095 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 17.945 6.553 6.941 1.00 2.08 H new ATOM 823 N ASN A 47 16.721 10.406 0.601 1.00 0.79 N ATOM 824 CA ASN A 47 16.953 10.764 -0.788 1.00 0.77 C ATOM 825 C ASN A 47 16.295 12.100 -1.092 1.00 0.74 C ATOM 826 O ASN A 47 15.223 12.158 -1.696 1.00 0.66 O ATOM 827 CB ASN A 47 16.408 9.695 -1.739 1.00 0.69 C ATOM 828 CG ASN A 47 16.932 8.304 -1.435 1.00 0.74 C ATOM 829 OD1 ASN A 47 17.959 7.883 -1.971 1.00 0.83 O ATOM 830 ND2 ASN A 47 16.236 7.582 -0.568 1.00 0.71 N ATOM 0 H ASN A 47 15.745 10.468 0.893 1.00 0.79 H new ATOM 0 HA ASN A 47 18.030 10.838 -0.941 1.00 0.77 H new ATOM 0 HB2 ASN A 47 15.320 9.687 -1.682 1.00 0.69 H new ATOM 0 HB3 ASN A 47 16.671 9.960 -2.763 1.00 0.69 H new ATOM 0 HD21 ASN A 47 16.546 6.642 -0.323 1.00 0.71 H new ATOM 0 HD22 ASN A 47 15.391 7.967 -0.146 1.00 0.71 H new ATOM 837 N PRO A 48 16.911 13.187 -0.621 1.00 0.82 N ATOM 838 CA PRO A 48 16.428 14.548 -0.856 1.00 0.84 C ATOM 839 C PRO A 48 16.465 14.930 -2.328 1.00 0.84 C ATOM 840 O PRO A 48 17.196 14.325 -3.120 1.00 0.86 O ATOM 841 CB PRO A 48 17.404 15.416 -0.060 1.00 0.93 C ATOM 842 CG PRO A 48 18.626 14.579 0.079 1.00 0.99 C ATOM 843 CD PRO A 48 18.126 13.172 0.197 1.00 0.92 C ATOM 0 HA PRO A 48 15.387 14.665 -0.555 1.00 0.84 H new ATOM 0 HB2 PRO A 48 17.620 16.349 -0.581 1.00 0.93 H new ATOM 0 HB3 PRO A 48 16.993 15.682 0.914 1.00 0.93 H new ATOM 0 HG2 PRO A 48 19.282 14.693 -0.784 1.00 0.99 H new ATOM 0 HG3 PRO A 48 19.203 14.867 0.958 1.00 0.99 H new ATOM 0 HD2 PRO A 48 18.855 12.452 -0.175 1.00 0.92 H new ATOM 0 HD3 PRO A 48 17.913 12.904 1.232 1.00 0.92 H new ATOM 851 N ASP A 49 15.656 15.928 -2.681 1.00 0.85 N ATOM 852 CA ASP A 49 15.564 16.435 -4.052 1.00 0.89 C ATOM 853 C ASP A 49 14.916 15.387 -4.957 1.00 0.82 C ATOM 854 O ASP A 49 14.963 15.477 -6.184 1.00 0.88 O ATOM 855 CB ASP A 49 16.953 16.834 -4.576 1.00 0.98 C ATOM 856 CG ASP A 49 16.899 17.643 -5.860 1.00 1.08 C ATOM 857 OD1 ASP A 49 16.391 18.784 -5.833 1.00 1.20 O ATOM 858 OD2 ASP A 49 17.391 17.153 -6.899 1.00 1.09 O ATOM 0 H ASP A 49 15.043 16.410 -2.023 1.00 0.85 H new ATOM 0 HA ASP A 49 14.937 17.327 -4.056 1.00 0.89 H new ATOM 0 HB2 ASP A 49 17.470 17.413 -3.811 1.00 0.98 H new ATOM 0 HB3 ASP A 49 17.542 15.933 -4.746 1.00 0.98 H new ATOM 863 N ASN A 50 14.288 14.401 -4.336 1.00 0.74 N ATOM 864 CA ASN A 50 13.614 13.342 -5.071 1.00 0.68 C ATOM 865 C ASN A 50 12.176 13.204 -4.584 1.00 0.64 C ATOM 866 O ASN A 50 11.893 12.459 -3.647 1.00 0.61 O ATOM 867 CB ASN A 50 14.358 12.012 -4.912 1.00 0.65 C ATOM 868 CG ASN A 50 13.904 10.961 -5.902 1.00 0.64 C ATOM 869 OD1 ASN A 50 12.764 10.960 -6.367 1.00 0.83 O ATOM 870 ND2 ASN A 50 14.794 10.044 -6.222 1.00 0.74 N ATOM 0 H ASN A 50 14.231 14.312 -3.322 1.00 0.74 H new ATOM 0 HA ASN A 50 13.608 13.605 -6.129 1.00 0.68 H new ATOM 0 HB2 ASN A 50 15.427 12.183 -5.036 1.00 0.65 H new ATOM 0 HB3 ASN A 50 14.210 11.638 -3.899 1.00 0.65 H new ATOM 0 HD21 ASN A 50 14.548 9.301 -6.876 1.00 0.74 H new ATOM 0 HD22 ASN A 50 15.729 10.077 -5.816 1.00 0.74 H new ATOM 877 N PRO A 51 11.253 13.946 -5.206 1.00 0.67 N ATOM 878 CA PRO A 51 9.834 13.924 -4.850 1.00 0.68 C ATOM 879 C PRO A 51 9.157 12.653 -5.341 1.00 0.66 C ATOM 880 O PRO A 51 8.184 12.176 -4.751 1.00 0.67 O ATOM 881 CB PRO A 51 9.251 15.149 -5.568 1.00 0.78 C ATOM 882 CG PRO A 51 10.419 15.878 -6.149 1.00 0.79 C ATOM 883 CD PRO A 51 11.515 14.873 -6.306 1.00 0.73 C ATOM 0 HA PRO A 51 9.683 13.947 -3.771 1.00 0.68 H new ATOM 0 HB2 PRO A 51 8.551 14.848 -6.348 1.00 0.78 H new ATOM 0 HB3 PRO A 51 8.701 15.784 -4.873 1.00 0.78 H new ATOM 0 HG2 PRO A 51 10.160 16.322 -7.110 1.00 0.79 H new ATOM 0 HG3 PRO A 51 10.731 16.693 -5.496 1.00 0.79 H new ATOM 0 HD2 PRO A 51 11.474 14.375 -7.275 1.00 0.73 H new ATOM 0 HD3 PRO A 51 12.501 15.331 -6.225 1.00 0.73 H new ATOM 891 N GLU A 52 9.688 12.117 -6.432 1.00 0.66 N ATOM 892 CA GLU A 52 9.206 10.867 -7.009 1.00 0.67 C ATOM 893 C GLU A 52 9.326 9.738 -5.997 1.00 0.57 C ATOM 894 O GLU A 52 8.456 8.871 -5.907 1.00 0.56 O ATOM 895 CB GLU A 52 10.027 10.519 -8.249 1.00 0.72 C ATOM 896 CG GLU A 52 10.170 11.670 -9.226 1.00 0.95 C ATOM 897 CD GLU A 52 11.122 11.354 -10.358 1.00 1.28 C ATOM 898 OE1 GLU A 52 12.326 11.157 -10.085 1.00 1.66 O ATOM 899 OE2 GLU A 52 10.679 11.319 -11.523 1.00 1.53 O ATOM 0 H GLU A 52 10.465 12.536 -6.943 1.00 0.66 H new ATOM 0 HA GLU A 52 8.159 10.992 -7.284 1.00 0.67 H new ATOM 0 HB2 GLU A 52 11.019 10.193 -7.938 1.00 0.72 H new ATOM 0 HB3 GLU A 52 9.560 9.677 -8.759 1.00 0.72 H new ATOM 0 HG2 GLU A 52 9.191 11.917 -9.637 1.00 0.95 H new ATOM 0 HG3 GLU A 52 10.524 12.553 -8.693 1.00 0.95 H new ATOM 906 N ALA A 53 10.413 9.766 -5.235 1.00 0.53 N ATOM 907 CA ALA A 53 10.691 8.743 -4.238 1.00 0.46 C ATOM 908 C ALA A 53 9.562 8.633 -3.219 1.00 0.42 C ATOM 909 O ALA A 53 9.258 7.543 -2.752 1.00 0.37 O ATOM 910 CB ALA A 53 12.011 9.030 -3.543 1.00 0.47 C ATOM 0 H ALA A 53 11.123 10.496 -5.291 1.00 0.53 H new ATOM 0 HA ALA A 53 10.764 7.785 -4.753 1.00 0.46 H new ATOM 0 HB1 ALA A 53 12.206 8.257 -2.800 1.00 0.47 H new ATOM 0 HB2 ALA A 53 12.815 9.038 -4.279 1.00 0.47 H new ATOM 0 HB3 ALA A 53 11.960 10.001 -3.051 1.00 0.47 H new ATOM 916 N ALA A 54 8.931 9.758 -2.896 1.00 0.45 N ATOM 917 CA ALA A 54 7.808 9.763 -1.961 1.00 0.44 C ATOM 918 C ALA A 54 6.668 8.902 -2.481 1.00 0.43 C ATOM 919 O ALA A 54 6.035 8.163 -1.727 1.00 0.41 O ATOM 920 CB ALA A 54 7.305 11.174 -1.740 1.00 0.51 C ATOM 0 H ALA A 54 9.176 10.676 -3.266 1.00 0.45 H new ATOM 0 HA ALA A 54 8.163 9.353 -1.015 1.00 0.44 H new ATOM 0 HB1 ALA A 54 6.469 11.157 -1.041 1.00 0.51 H new ATOM 0 HB2 ALA A 54 8.108 11.787 -1.330 1.00 0.51 H new ATOM 0 HB3 ALA A 54 6.975 11.596 -2.690 1.00 0.51 H new ATOM 926 N ASP A 55 6.423 9.009 -3.776 1.00 0.46 N ATOM 927 CA ASP A 55 5.358 8.261 -4.425 1.00 0.47 C ATOM 928 C ASP A 55 5.712 6.781 -4.465 1.00 0.39 C ATOM 929 O ASP A 55 4.871 5.917 -4.212 1.00 0.36 O ATOM 930 CB ASP A 55 5.139 8.794 -5.841 1.00 0.57 C ATOM 931 CG ASP A 55 3.927 8.176 -6.512 1.00 0.63 C ATOM 932 OD1 ASP A 55 2.814 8.721 -6.360 1.00 0.72 O ATOM 933 OD2 ASP A 55 4.079 7.139 -7.189 1.00 0.66 O ATOM 0 H ASP A 55 6.953 9.613 -4.405 1.00 0.46 H new ATOM 0 HA ASP A 55 4.436 8.384 -3.857 1.00 0.47 H new ATOM 0 HB2 ASP A 55 5.017 9.877 -5.804 1.00 0.57 H new ATOM 0 HB3 ASP A 55 6.025 8.593 -6.443 1.00 0.57 H new ATOM 938 N LYS A 56 6.971 6.499 -4.772 1.00 0.39 N ATOM 939 CA LYS A 56 7.480 5.136 -4.755 1.00 0.34 C ATOM 940 C LYS A 56 7.407 4.568 -3.344 1.00 0.28 C ATOM 941 O LYS A 56 7.004 3.428 -3.138 1.00 0.26 O ATOM 942 CB LYS A 56 8.927 5.108 -5.222 1.00 0.38 C ATOM 943 CG LYS A 56 9.218 5.934 -6.465 1.00 0.48 C ATOM 944 CD LYS A 56 8.715 5.274 -7.737 1.00 0.64 C ATOM 945 CE LYS A 56 7.234 5.533 -7.974 1.00 0.83 C ATOM 946 NZ LYS A 56 6.732 4.844 -9.190 1.00 0.98 N ATOM 0 H LYS A 56 7.662 7.201 -5.037 1.00 0.39 H new ATOM 0 HA LYS A 56 6.868 4.534 -5.426 1.00 0.34 H new ATOM 0 HB2 LYS A 56 9.562 5.464 -4.411 1.00 0.38 H new ATOM 0 HB3 LYS A 56 9.210 4.074 -5.417 1.00 0.38 H new ATOM 0 HG2 LYS A 56 8.754 6.915 -6.361 1.00 0.48 H new ATOM 0 HG3 LYS A 56 10.293 6.096 -6.545 1.00 0.48 H new ATOM 0 HD2 LYS A 56 9.287 5.645 -8.587 1.00 0.64 H new ATOM 0 HD3 LYS A 56 8.889 4.200 -7.680 1.00 0.64 H new ATOM 0 HE2 LYS A 56 6.665 5.197 -7.107 1.00 0.83 H new ATOM 0 HE3 LYS A 56 7.065 6.606 -8.070 1.00 0.83 H new ATOM 0 HZ1 LYS A 56 6.270 5.535 -9.815 1.00 0.98 H new ATOM 0 HZ2 LYS A 56 7.528 4.402 -9.692 1.00 0.98 H new ATOM 0 HZ3 LYS A 56 6.046 4.112 -8.916 1.00 0.98 H new ATOM 960 N PHE A 57 7.786 5.388 -2.377 1.00 0.27 N ATOM 961 CA PHE A 57 7.756 4.996 -0.973 1.00 0.24 C ATOM 962 C PHE A 57 6.336 4.668 -0.553 1.00 0.24 C ATOM 963 O PHE A 57 6.107 3.863 0.336 1.00 0.26 O ATOM 964 CB PHE A 57 8.320 6.116 -0.089 1.00 0.27 C ATOM 965 CG PHE A 57 8.240 5.816 1.382 1.00 0.27 C ATOM 966 CD1 PHE A 57 9.198 5.026 1.994 1.00 0.31 C ATOM 967 CD2 PHE A 57 7.201 6.319 2.151 1.00 0.30 C ATOM 968 CE1 PHE A 57 9.123 4.743 3.343 1.00 0.36 C ATOM 969 CE2 PHE A 57 7.122 6.040 3.502 1.00 0.34 C ATOM 970 CZ PHE A 57 8.084 5.249 4.098 1.00 0.37 C ATOM 0 H PHE A 57 8.121 6.338 -2.539 1.00 0.27 H new ATOM 0 HA PHE A 57 8.377 4.109 -0.848 1.00 0.24 H new ATOM 0 HB2 PHE A 57 9.361 6.293 -0.360 1.00 0.27 H new ATOM 0 HB3 PHE A 57 7.777 7.038 -0.294 1.00 0.27 H new ATOM 0 HD1 PHE A 57 10.013 4.627 1.409 1.00 0.31 H new ATOM 0 HD2 PHE A 57 6.445 6.936 1.688 1.00 0.30 H new ATOM 0 HE1 PHE A 57 9.877 4.126 3.808 1.00 0.36 H new ATOM 0 HE2 PHE A 57 6.309 6.440 4.091 1.00 0.34 H new ATOM 0 HZ PHE A 57 8.024 5.027 5.153 1.00 0.37 H new ATOM 980 N LYS A 58 5.391 5.279 -1.229 1.00 0.26 N ATOM 981 CA LYS A 58 3.996 5.150 -0.891 1.00 0.28 C ATOM 982 C LYS A 58 3.389 3.871 -1.475 1.00 0.26 C ATOM 983 O LYS A 58 2.532 3.248 -0.848 1.00 0.29 O ATOM 984 CB LYS A 58 3.284 6.416 -1.363 1.00 0.32 C ATOM 985 CG LYS A 58 1.835 6.237 -1.767 1.00 0.36 C ATOM 986 CD LYS A 58 1.112 7.576 -1.818 1.00 0.52 C ATOM 987 CE LYS A 58 1.736 8.520 -2.834 1.00 0.79 C ATOM 988 NZ LYS A 58 1.439 8.110 -4.229 1.00 1.41 N ATOM 0 H LYS A 58 5.571 5.882 -2.032 1.00 0.26 H new ATOM 0 HA LYS A 58 3.873 5.053 0.188 1.00 0.28 H new ATOM 0 HB2 LYS A 58 3.332 7.158 -0.566 1.00 0.32 H new ATOM 0 HB3 LYS A 58 3.832 6.825 -2.212 1.00 0.32 H new ATOM 0 HG2 LYS A 58 1.783 5.755 -2.743 1.00 0.36 H new ATOM 0 HG3 LYS A 58 1.335 5.577 -1.058 1.00 0.36 H new ATOM 0 HD2 LYS A 58 0.064 7.413 -2.070 1.00 0.52 H new ATOM 0 HD3 LYS A 58 1.135 8.038 -0.831 1.00 0.52 H new ATOM 0 HE2 LYS A 58 1.364 9.531 -2.666 1.00 0.79 H new ATOM 0 HE3 LYS A 58 2.816 8.549 -2.687 1.00 0.79 H new ATOM 0 HZ1 LYS A 58 2.087 8.599 -4.880 1.00 1.41 H new ATOM 0 HZ2 LYS A 58 1.564 7.082 -4.323 1.00 1.41 H new ATOM 0 HZ3 LYS A 58 0.458 8.362 -4.463 1.00 1.41 H new ATOM 1002 N GLU A 59 3.850 3.456 -2.653 1.00 0.25 N ATOM 1003 CA GLU A 59 3.391 2.196 -3.232 1.00 0.24 C ATOM 1004 C GLU A 59 4.037 1.020 -2.511 1.00 0.23 C ATOM 1005 O GLU A 59 3.403 -0.010 -2.284 1.00 0.25 O ATOM 1006 CB GLU A 59 3.678 2.123 -4.740 1.00 0.28 C ATOM 1007 CG GLU A 59 5.126 2.387 -5.115 1.00 0.32 C ATOM 1008 CD GLU A 59 5.394 2.201 -6.593 1.00 0.40 C ATOM 1009 OE1 GLU A 59 4.912 3.027 -7.401 1.00 0.54 O ATOM 1010 OE2 GLU A 59 6.083 1.227 -6.955 1.00 0.51 O ATOM 0 H GLU A 59 4.530 3.965 -3.218 1.00 0.25 H new ATOM 0 HA GLU A 59 2.310 2.146 -3.102 1.00 0.24 H new ATOM 0 HB2 GLU A 59 3.395 1.135 -5.104 1.00 0.28 H new ATOM 0 HB3 GLU A 59 3.044 2.846 -5.254 1.00 0.28 H new ATOM 0 HG2 GLU A 59 5.391 3.405 -4.828 1.00 0.32 H new ATOM 0 HG3 GLU A 59 5.771 1.717 -4.547 1.00 0.32 H new ATOM 1017 N ILE A 60 5.299 1.183 -2.133 1.00 0.23 N ATOM 1018 CA ILE A 60 6.012 0.136 -1.416 1.00 0.24 C ATOM 1019 C ILE A 60 5.513 0.057 0.013 1.00 0.24 C ATOM 1020 O ILE A 60 5.459 -1.017 0.607 1.00 0.27 O ATOM 1021 CB ILE A 60 7.539 0.355 -1.443 1.00 0.26 C ATOM 1022 CG1 ILE A 60 7.923 1.633 -0.707 1.00 0.24 C ATOM 1023 CG2 ILE A 60 8.025 0.408 -2.881 1.00 0.29 C ATOM 1024 CD1 ILE A 60 9.379 2.015 -0.849 1.00 0.28 C ATOM 0 H ILE A 60 5.846 2.025 -2.310 1.00 0.23 H new ATOM 0 HA ILE A 60 5.813 -0.809 -1.921 1.00 0.24 H new ATOM 0 HB ILE A 60 8.017 -0.481 -0.933 1.00 0.26 H new ATOM 0 HG12 ILE A 60 7.306 2.452 -1.077 1.00 0.24 H new ATOM 0 HG13 ILE A 60 7.692 1.513 0.351 1.00 0.24 H new ATOM 0 HG21 ILE A 60 9.104 0.563 -2.895 1.00 0.29 H new ATOM 0 HG22 ILE A 60 7.787 -0.531 -3.380 1.00 0.29 H new ATOM 0 HG23 ILE A 60 7.534 1.230 -3.401 1.00 0.29 H new ATOM 0 HD11 ILE A 60 9.569 2.935 -0.296 1.00 0.28 H new ATOM 0 HD12 ILE A 60 10.005 1.216 -0.451 1.00 0.28 H new ATOM 0 HD13 ILE A 60 9.614 2.170 -1.902 1.00 0.28 H new ATOM 1036 N ASN A 61 5.103 1.206 0.536 1.00 0.24 N ATOM 1037 CA ASN A 61 4.513 1.290 1.860 1.00 0.28 C ATOM 1038 C ASN A 61 3.179 0.553 1.873 1.00 0.29 C ATOM 1039 O ASN A 61 2.668 0.173 2.923 1.00 0.36 O ATOM 1040 CB ASN A 61 4.323 2.760 2.244 1.00 0.36 C ATOM 1041 CG ASN A 61 3.804 2.948 3.651 1.00 0.51 C ATOM 1042 OD1 ASN A 61 4.577 2.972 4.613 1.00 0.62 O ATOM 1043 ND2 ASN A 61 2.497 3.107 3.780 1.00 0.60 N ATOM 0 H ASN A 61 5.171 2.102 0.053 1.00 0.24 H new ATOM 0 HA ASN A 61 5.175 0.823 2.589 1.00 0.28 H new ATOM 0 HB2 ASN A 61 5.275 3.281 2.143 1.00 0.36 H new ATOM 0 HB3 ASN A 61 3.629 3.225 1.543 1.00 0.36 H new ATOM 0 HD21 ASN A 61 2.090 3.257 4.703 1.00 0.60 H new ATOM 0 HD22 ASN A 61 1.896 3.080 2.956 1.00 0.60 H new ATOM 1050 N ASN A 62 2.638 0.354 0.675 1.00 0.25 N ATOM 1051 CA ASN A 62 1.372 -0.336 0.482 1.00 0.27 C ATOM 1052 C ASN A 62 1.576 -1.844 0.430 1.00 0.22 C ATOM 1053 O ASN A 62 1.077 -2.575 1.275 1.00 0.20 O ATOM 1054 CB ASN A 62 0.744 0.107 -0.832 1.00 0.32 C ATOM 1055 CG ASN A 62 -0.679 -0.359 -0.987 1.00 0.36 C ATOM 1056 OD1 ASN A 62 -1.605 0.361 -0.656 1.00 0.77 O ATOM 1057 ND2 ASN A 62 -0.856 -1.570 -1.496 1.00 0.21 N ATOM 0 H ASN A 62 3.070 0.670 -0.193 1.00 0.25 H new ATOM 0 HA ASN A 62 0.722 -0.089 1.322 1.00 0.27 H new ATOM 0 HB2 ASN A 62 0.774 1.195 -0.895 1.00 0.32 H new ATOM 0 HB3 ASN A 62 1.339 -0.276 -1.661 1.00 0.32 H new ATOM 0 HD21 ASN A 62 -1.799 -1.936 -1.625 1.00 0.21 H new ATOM 0 HD22 ASN A 62 -0.049 -2.136 -1.758 1.00 0.21 H new ATOM 1064 N ALA A 63 2.333 -2.295 -0.577 1.00 0.20 N ATOM 1065 CA ALA A 63 2.498 -3.724 -0.869 1.00 0.18 C ATOM 1066 C ALA A 63 3.082 -4.499 0.315 1.00 0.14 C ATOM 1067 O ALA A 63 3.018 -5.727 0.353 1.00 0.14 O ATOM 1068 CB ALA A 63 3.385 -3.897 -2.091 1.00 0.19 C ATOM 0 H ALA A 63 2.847 -1.682 -1.210 1.00 0.20 H new ATOM 0 HA ALA A 63 1.507 -4.135 -1.065 1.00 0.18 H new ATOM 0 HB1 ALA A 63 3.506 -4.959 -2.305 1.00 0.19 H new ATOM 0 HB2 ALA A 63 2.925 -3.404 -2.947 1.00 0.19 H new ATOM 0 HB3 ALA A 63 4.361 -3.453 -1.898 1.00 0.19 H new ATOM 1074 N HIS A 64 3.637 -3.755 1.266 1.00 0.13 N ATOM 1075 CA HIS A 64 4.281 -4.299 2.461 1.00 0.11 C ATOM 1076 C HIS A 64 3.495 -5.452 3.104 1.00 0.13 C ATOM 1077 O HIS A 64 4.042 -6.534 3.311 1.00 0.20 O ATOM 1078 CB HIS A 64 4.492 -3.144 3.455 1.00 0.15 C ATOM 1079 CG HIS A 64 4.595 -3.536 4.901 1.00 0.37 C ATOM 1080 ND1 HIS A 64 3.598 -3.274 5.808 1.00 1.02 N ATOM 1081 CD2 HIS A 64 5.589 -4.126 5.600 1.00 1.02 C ATOM 1082 CE1 HIS A 64 3.971 -3.681 7.001 1.00 1.00 C ATOM 1083 NE2 HIS A 64 5.178 -4.203 6.909 1.00 0.96 N ATOM 0 H HIS A 64 3.653 -2.736 1.229 1.00 0.13 H new ATOM 0 HA HIS A 64 5.237 -4.736 2.171 1.00 0.11 H new ATOM 0 HB2 HIS A 64 5.402 -2.612 3.177 1.00 0.15 H new ATOM 0 HB3 HIS A 64 3.666 -2.441 3.347 1.00 0.15 H new ATOM 0 HD1 HIS A 64 2.705 -2.832 5.590 1.00 1.02 H new ATOM 0 HD2 HIS A 64 6.532 -4.473 5.204 1.00 1.02 H new ATOM 0 HE1 HIS A 64 3.386 -3.601 7.905 1.00 1.00 H new ATOM 1092 N ALA A 65 2.237 -5.224 3.443 1.00 0.14 N ATOM 1093 CA ALA A 65 1.452 -6.242 4.130 1.00 0.17 C ATOM 1094 C ALA A 65 0.694 -7.146 3.162 1.00 0.13 C ATOM 1095 O ALA A 65 0.615 -8.351 3.375 1.00 0.14 O ATOM 1096 CB ALA A 65 0.480 -5.593 5.103 1.00 0.25 C ATOM 0 H ALA A 65 1.739 -4.353 3.257 1.00 0.14 H new ATOM 0 HA ALA A 65 2.155 -6.869 4.678 1.00 0.17 H new ATOM 0 HB1 ALA A 65 -0.099 -6.366 5.608 1.00 0.25 H new ATOM 0 HB2 ALA A 65 1.036 -5.015 5.841 1.00 0.25 H new ATOM 0 HB3 ALA A 65 -0.194 -4.933 4.558 1.00 0.25 H new ATOM 1102 N ILE A 66 0.181 -6.562 2.087 1.00 0.13 N ATOM 1103 CA ILE A 66 -0.811 -7.219 1.220 1.00 0.12 C ATOM 1104 C ILE A 66 -0.376 -8.608 0.747 1.00 0.13 C ATOM 1105 O ILE A 66 -1.206 -9.502 0.588 1.00 0.21 O ATOM 1106 CB ILE A 66 -1.122 -6.386 -0.039 1.00 0.13 C ATOM 1107 CG1 ILE A 66 -0.666 -4.931 0.115 1.00 0.14 C ATOM 1108 CG2 ILE A 66 -2.613 -6.451 -0.346 1.00 0.13 C ATOM 1109 CD1 ILE A 66 -1.432 -4.135 1.142 1.00 0.14 C ATOM 0 H ILE A 66 0.435 -5.621 1.785 1.00 0.13 H new ATOM 0 HA ILE A 66 -1.697 -7.312 1.849 1.00 0.12 H new ATOM 0 HB ILE A 66 -0.564 -6.813 -0.873 1.00 0.13 H new ATOM 0 HG12 ILE A 66 0.391 -4.922 0.383 1.00 0.14 H new ATOM 0 HG13 ILE A 66 -0.754 -4.433 -0.850 1.00 0.14 H new ATOM 0 HG21 ILE A 66 -2.827 -5.860 -1.237 1.00 0.13 H new ATOM 0 HG22 ILE A 66 -2.904 -7.487 -0.519 1.00 0.13 H new ATOM 0 HG23 ILE A 66 -3.176 -6.052 0.498 1.00 0.13 H new ATOM 0 HD11 ILE A 66 -1.040 -3.119 1.181 1.00 0.14 H new ATOM 0 HD12 ILE A 66 -2.487 -4.107 0.868 1.00 0.14 H new ATOM 0 HD13 ILE A 66 -1.324 -4.604 2.120 1.00 0.14 H new ATOM 1121 N LEU A 67 0.917 -8.776 0.503 1.00 0.12 N ATOM 1122 CA LEU A 67 1.447 -10.011 -0.079 1.00 0.14 C ATOM 1123 C LEU A 67 1.284 -11.199 0.867 1.00 0.16 C ATOM 1124 O LEU A 67 1.013 -12.321 0.435 1.00 0.21 O ATOM 1125 CB LEU A 67 2.927 -9.834 -0.410 1.00 0.15 C ATOM 1126 CG LEU A 67 3.307 -8.462 -0.959 1.00 0.14 C ATOM 1127 CD1 LEU A 67 4.780 -8.418 -1.309 1.00 0.16 C ATOM 1128 CD2 LEU A 67 2.456 -8.115 -2.167 1.00 0.16 C ATOM 0 H LEU A 67 1.626 -8.069 0.699 1.00 0.12 H new ATOM 0 HA LEU A 67 0.879 -10.217 -0.986 1.00 0.14 H new ATOM 0 HB2 LEU A 67 3.510 -10.022 0.492 1.00 0.15 H new ATOM 0 HB3 LEU A 67 3.214 -10.592 -1.139 1.00 0.15 H new ATOM 0 HG LEU A 67 3.118 -7.718 -0.185 1.00 0.14 H new ATOM 0 HD11 LEU A 67 5.032 -7.432 -1.699 1.00 0.16 H new ATOM 0 HD12 LEU A 67 5.372 -8.617 -0.416 1.00 0.16 H new ATOM 0 HD13 LEU A 67 4.997 -9.173 -2.064 1.00 0.16 H new ATOM 0 HD21 LEU A 67 2.742 -7.133 -2.544 1.00 0.16 H new ATOM 0 HD22 LEU A 67 2.609 -8.861 -2.946 1.00 0.16 H new ATOM 0 HD23 LEU A 67 1.405 -8.101 -1.880 1.00 0.16 H new ATOM 1140 N THR A 68 1.473 -10.947 2.149 1.00 0.15 N ATOM 1141 CA THR A 68 1.419 -11.998 3.158 1.00 0.18 C ATOM 1142 C THR A 68 0.162 -11.880 4.029 1.00 0.18 C ATOM 1143 O THR A 68 -0.252 -12.842 4.683 1.00 0.23 O ATOM 1144 CB THR A 68 2.688 -11.962 4.043 1.00 0.21 C ATOM 1145 OG1 THR A 68 2.539 -12.804 5.192 1.00 0.27 O ATOM 1146 CG2 THR A 68 3.001 -10.535 4.473 1.00 0.20 C ATOM 0 H THR A 68 1.667 -10.018 2.522 1.00 0.15 H new ATOM 0 HA THR A 68 1.375 -12.954 2.637 1.00 0.18 H new ATOM 0 HB THR A 68 3.520 -12.340 3.449 1.00 0.21 H new ATOM 0 HG1 THR A 68 2.627 -12.265 6.006 1.00 0.27 H new ATOM 0 HG21 THR A 68 3.896 -10.530 5.094 1.00 0.20 H new ATOM 0 HG22 THR A 68 3.169 -9.918 3.591 1.00 0.20 H new ATOM 0 HG23 THR A 68 2.162 -10.134 5.042 1.00 0.20 H new ATOM 1154 N ASP A 69 -0.449 -10.706 4.030 1.00 0.17 N ATOM 1155 CA ASP A 69 -1.638 -10.467 4.840 1.00 0.19 C ATOM 1156 C ASP A 69 -2.898 -10.732 4.027 1.00 0.17 C ATOM 1157 O ASP A 69 -3.083 -10.165 2.946 1.00 0.19 O ATOM 1158 CB ASP A 69 -1.653 -9.028 5.358 1.00 0.21 C ATOM 1159 CG ASP A 69 -2.626 -8.834 6.503 1.00 0.27 C ATOM 1160 OD1 ASP A 69 -3.843 -8.964 6.282 1.00 0.28 O ATOM 1161 OD2 ASP A 69 -2.179 -8.520 7.625 1.00 0.58 O ATOM 0 H ASP A 69 -0.143 -9.903 3.480 1.00 0.17 H new ATOM 0 HA ASP A 69 -1.613 -11.149 5.690 1.00 0.19 H new ATOM 0 HB2 ASP A 69 -0.651 -8.753 5.687 1.00 0.21 H new ATOM 0 HB3 ASP A 69 -1.917 -8.354 4.543 1.00 0.21 H new ATOM 1166 N ALA A 70 -3.762 -11.588 4.553 1.00 0.19 N ATOM 1167 CA ALA A 70 -4.994 -11.959 3.868 1.00 0.21 C ATOM 1168 C ALA A 70 -6.024 -10.845 3.938 1.00 0.18 C ATOM 1169 O ALA A 70 -6.836 -10.685 3.030 1.00 0.19 O ATOM 1170 CB ALA A 70 -5.563 -13.238 4.458 1.00 0.27 C ATOM 0 H ALA A 70 -3.632 -12.042 5.457 1.00 0.19 H new ATOM 0 HA ALA A 70 -4.753 -12.128 2.819 1.00 0.21 H new ATOM 0 HB1 ALA A 70 -6.483 -13.502 3.936 1.00 0.27 H new ATOM 0 HB2 ALA A 70 -4.838 -14.044 4.346 1.00 0.27 H new ATOM 0 HB3 ALA A 70 -5.777 -13.087 5.516 1.00 0.27 H new ATOM 1176 N THR A 71 -5.972 -10.062 5.004 1.00 0.17 N ATOM 1177 CA THR A 71 -6.912 -8.974 5.190 1.00 0.17 C ATOM 1178 C THR A 71 -6.659 -7.875 4.169 1.00 0.14 C ATOM 1179 O THR A 71 -7.572 -7.439 3.480 1.00 0.15 O ATOM 1180 CB THR A 71 -6.824 -8.393 6.610 1.00 0.20 C ATOM 1181 OG1 THR A 71 -7.140 -9.409 7.575 1.00 0.25 O ATOM 1182 CG2 THR A 71 -7.764 -7.208 6.776 1.00 0.21 C ATOM 0 H THR A 71 -5.287 -10.162 5.753 1.00 0.17 H new ATOM 0 HA THR A 71 -7.915 -9.377 5.047 1.00 0.17 H new ATOM 0 HB THR A 71 -5.804 -8.044 6.773 1.00 0.20 H new ATOM 0 HG1 THR A 71 -7.080 -9.033 8.478 1.00 0.25 H new ATOM 0 HG21 THR A 71 -7.681 -6.817 7.790 1.00 0.21 H new ATOM 0 HG22 THR A 71 -7.496 -6.428 6.063 1.00 0.21 H new ATOM 0 HG23 THR A 71 -8.790 -7.529 6.594 1.00 0.21 H new ATOM 1190 N LYS A 72 -5.410 -7.451 4.049 1.00 0.13 N ATOM 1191 CA LYS A 72 -5.057 -6.422 3.094 1.00 0.13 C ATOM 1192 C LYS A 72 -5.314 -6.912 1.681 1.00 0.12 C ATOM 1193 O LYS A 72 -5.753 -6.156 0.832 1.00 0.13 O ATOM 1194 CB LYS A 72 -3.596 -5.993 3.251 1.00 0.15 C ATOM 1195 CG LYS A 72 -3.327 -5.131 4.478 1.00 0.17 C ATOM 1196 CD LYS A 72 -3.548 -5.901 5.767 1.00 0.17 C ATOM 1197 CE LYS A 72 -3.211 -5.076 6.991 1.00 0.24 C ATOM 1198 NZ LYS A 72 -3.201 -5.905 8.226 1.00 0.71 N ATOM 0 H LYS A 72 -4.629 -7.805 4.601 1.00 0.13 H new ATOM 0 HA LYS A 72 -5.683 -5.551 3.289 1.00 0.13 H new ATOM 0 HB2 LYS A 72 -2.971 -6.884 3.303 1.00 0.15 H new ATOM 0 HB3 LYS A 72 -3.293 -5.442 2.360 1.00 0.15 H new ATOM 0 HG2 LYS A 72 -2.302 -4.763 4.446 1.00 0.17 H new ATOM 0 HG3 LYS A 72 -3.980 -4.258 4.459 1.00 0.17 H new ATOM 0 HD2 LYS A 72 -4.588 -6.222 5.823 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -2.936 -6.803 5.759 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -2.235 -4.609 6.858 1.00 0.24 H new ATOM 0 HE3 LYS A 72 -3.938 -4.271 7.099 1.00 0.24 H new ATOM 0 HZ1 LYS A 72 -2.613 -5.444 8.949 1.00 0.71 H new ATOM 0 HZ2 LYS A 72 -4.172 -6.007 8.583 1.00 0.71 H new ATOM 0 HZ3 LYS A 72 -2.811 -6.845 8.010 1.00 0.71 H new ATOM 1212 N ARG A 73 -5.068 -8.188 1.433 1.00 0.13 N ATOM 1213 CA ARG A 73 -5.328 -8.747 0.116 1.00 0.15 C ATOM 1214 C ARG A 73 -6.828 -8.808 -0.132 1.00 0.16 C ATOM 1215 O ARG A 73 -7.289 -8.786 -1.272 1.00 0.19 O ATOM 1216 CB ARG A 73 -4.717 -10.135 -0.003 1.00 0.18 C ATOM 1217 CG ARG A 73 -4.407 -10.540 -1.434 1.00 0.38 C ATOM 1218 CD ARG A 73 -3.479 -9.540 -2.113 1.00 0.47 C ATOM 1219 NE ARG A 73 -3.129 -9.965 -3.466 1.00 0.49 N ATOM 1220 CZ ARG A 73 -1.954 -9.736 -4.051 1.00 0.88 C ATOM 1221 NH1 ARG A 73 -0.976 -9.134 -3.384 1.00 1.45 N ATOM 1222 NH2 ARG A 73 -1.755 -10.126 -5.302 1.00 0.97 N ATOM 0 H ARG A 73 -4.694 -8.848 2.115 1.00 0.13 H new ATOM 0 HA ARG A 73 -4.869 -8.104 -0.636 1.00 0.15 H new ATOM 0 HB2 ARG A 73 -3.799 -10.171 0.583 1.00 0.18 H new ATOM 0 HB3 ARG A 73 -5.401 -10.863 0.432 1.00 0.18 H new ATOM 0 HG2 ARG A 73 -3.946 -11.528 -1.441 1.00 0.38 H new ATOM 0 HG3 ARG A 73 -5.335 -10.618 -2.000 1.00 0.38 H new ATOM 0 HD2 ARG A 73 -3.961 -8.563 -2.151 1.00 0.47 H new ATOM 0 HD3 ARG A 73 -2.571 -9.425 -1.521 1.00 0.47 H new ATOM 0 HE ARG A 73 -3.834 -10.473 -4.001 1.00 0.49 H new ATOM 0 HH11 ARG A 73 -1.122 -8.844 -2.417 1.00 1.45 H new ATOM 0 HH12 ARG A 73 -0.079 -8.962 -3.839 1.00 1.45 H new ATOM 0 HH21 ARG A 73 -2.500 -10.599 -5.813 1.00 0.97 H new ATOM 0 HH22 ARG A 73 -0.857 -9.953 -5.754 1.00 0.97 H new ATOM 1236 N ASN A 74 -7.580 -8.873 0.953 1.00 0.16 N ATOM 1237 CA ASN A 74 -9.030 -8.844 0.895 1.00 0.18 C ATOM 1238 C ASN A 74 -9.520 -7.438 0.588 1.00 0.17 C ATOM 1239 O ASN A 74 -10.594 -7.251 0.017 1.00 0.23 O ATOM 1240 CB ASN A 74 -9.609 -9.354 2.214 1.00 0.21 C ATOM 1241 CG ASN A 74 -10.271 -10.711 2.081 1.00 0.31 C ATOM 1242 OD1 ASN A 74 -10.776 -11.071 1.018 1.00 0.57 O ATOM 1243 ND2 ASN A 74 -10.282 -11.472 3.166 1.00 0.43 N ATOM 0 H ASN A 74 -7.203 -8.947 1.898 1.00 0.16 H new ATOM 0 HA ASN A 74 -9.371 -9.498 0.092 1.00 0.18 H new ATOM 0 HB2 ASN A 74 -8.812 -9.415 2.955 1.00 0.21 H new ATOM 0 HB3 ASN A 74 -10.338 -8.635 2.588 1.00 0.21 H new ATOM 0 HD21 ASN A 74 -10.720 -12.393 3.139 1.00 0.43 H new ATOM 0 HD22 ASN A 74 -9.852 -11.137 4.028 1.00 0.43 H new ATOM 1250 N ILE A 75 -8.722 -6.448 0.964 1.00 0.13 N ATOM 1251 CA ILE A 75 -8.992 -5.072 0.577 1.00 0.13 C ATOM 1252 C ILE A 75 -8.463 -4.824 -0.830 1.00 0.14 C ATOM 1253 O ILE A 75 -9.093 -4.132 -1.608 1.00 0.15 O ATOM 1254 CB ILE A 75 -8.388 -4.034 1.571 1.00 0.14 C ATOM 1255 CG1 ILE A 75 -9.287 -3.872 2.804 1.00 0.18 C ATOM 1256 CG2 ILE A 75 -8.177 -2.671 0.899 1.00 0.17 C ATOM 1257 CD1 ILE A 75 -9.414 -5.116 3.654 1.00 0.20 C ATOM 0 H ILE A 75 -7.886 -6.572 1.534 1.00 0.13 H new ATOM 0 HA ILE A 75 -10.073 -4.934 0.600 1.00 0.13 H new ATOM 0 HB ILE A 75 -7.417 -4.415 1.887 1.00 0.14 H new ATOM 0 HG12 ILE A 75 -8.894 -3.064 3.421 1.00 0.18 H new ATOM 0 HG13 ILE A 75 -10.281 -3.568 2.476 1.00 0.18 H new ATOM 0 HG21 ILE A 75 -7.755 -1.971 1.620 1.00 0.17 H new ATOM 0 HG22 ILE A 75 -7.493 -2.782 0.058 1.00 0.17 H new ATOM 0 HG23 ILE A 75 -9.133 -2.290 0.541 1.00 0.17 H new ATOM 0 HD11 ILE A 75 -10.067 -4.912 4.503 1.00 0.20 H new ATOM 0 HD12 ILE A 75 -9.838 -5.923 3.057 1.00 0.20 H new ATOM 0 HD13 ILE A 75 -8.429 -5.411 4.016 1.00 0.20 H new ATOM 1269 N TYR A 76 -7.322 -5.430 -1.142 1.00 0.15 N ATOM 1270 CA TYR A 76 -6.676 -5.304 -2.453 1.00 0.18 C ATOM 1271 C TYR A 76 -7.666 -5.481 -3.610 1.00 0.19 C ATOM 1272 O TYR A 76 -7.658 -4.704 -4.571 1.00 0.26 O ATOM 1273 CB TYR A 76 -5.534 -6.332 -2.553 1.00 0.21 C ATOM 1274 CG TYR A 76 -5.257 -6.836 -3.956 1.00 0.22 C ATOM 1275 CD1 TYR A 76 -4.481 -6.106 -4.845 1.00 0.36 C ATOM 1276 CD2 TYR A 76 -5.787 -8.046 -4.389 1.00 0.28 C ATOM 1277 CE1 TYR A 76 -4.241 -6.569 -6.126 1.00 0.44 C ATOM 1278 CE2 TYR A 76 -5.552 -8.511 -5.666 1.00 0.36 C ATOM 1279 CZ TYR A 76 -4.780 -7.770 -6.530 1.00 0.41 C ATOM 1280 OH TYR A 76 -4.549 -8.231 -7.808 1.00 0.52 O ATOM 0 H TYR A 76 -6.812 -6.027 -0.491 1.00 0.15 H new ATOM 0 HA TYR A 76 -6.276 -4.294 -2.539 1.00 0.18 H new ATOM 0 HB2 TYR A 76 -4.623 -5.883 -2.156 1.00 0.21 H new ATOM 0 HB3 TYR A 76 -5.773 -7.184 -1.916 1.00 0.21 H new ATOM 0 HD1 TYR A 76 -4.058 -5.163 -4.532 1.00 0.36 H new ATOM 0 HD2 TYR A 76 -6.393 -8.632 -3.714 1.00 0.28 H new ATOM 0 HE1 TYR A 76 -3.633 -5.991 -6.807 1.00 0.44 H new ATOM 0 HE2 TYR A 76 -5.972 -9.453 -5.986 1.00 0.36 H new ATOM 0 HH TYR A 76 -4.999 -9.093 -7.931 1.00 0.52 H new ATOM 1290 N ASP A 77 -8.513 -6.497 -3.520 1.00 0.18 N ATOM 1291 CA ASP A 77 -9.487 -6.767 -4.582 1.00 0.22 C ATOM 1292 C ASP A 77 -10.648 -5.770 -4.575 1.00 0.22 C ATOM 1293 O ASP A 77 -11.494 -5.793 -5.465 1.00 0.30 O ATOM 1294 CB ASP A 77 -10.036 -8.192 -4.484 1.00 0.31 C ATOM 1295 CG ASP A 77 -9.183 -9.202 -5.226 1.00 1.00 C ATOM 1296 OD1 ASP A 77 -9.086 -9.110 -6.469 1.00 1.21 O ATOM 1297 OD2 ASP A 77 -8.618 -10.105 -4.576 1.00 1.74 O ATOM 0 H ASP A 77 -8.550 -7.145 -2.733 1.00 0.18 H new ATOM 0 HA ASP A 77 -8.949 -6.654 -5.523 1.00 0.22 H new ATOM 0 HB2 ASP A 77 -10.102 -8.480 -3.435 1.00 0.31 H new ATOM 0 HB3 ASP A 77 -11.049 -8.215 -4.885 1.00 0.31 H new ATOM 1302 N LYS A 78 -10.696 -4.910 -3.571 1.00 0.20 N ATOM 1303 CA LYS A 78 -11.744 -3.904 -3.476 1.00 0.21 C ATOM 1304 C LYS A 78 -11.146 -2.515 -3.671 1.00 0.20 C ATOM 1305 O LYS A 78 -11.478 -1.797 -4.614 1.00 0.24 O ATOM 1306 CB LYS A 78 -12.429 -3.996 -2.109 1.00 0.22 C ATOM 1307 CG LYS A 78 -13.050 -5.355 -1.825 1.00 0.29 C ATOM 1308 CD LYS A 78 -13.578 -5.434 -0.403 1.00 0.33 C ATOM 1309 CE LYS A 78 -14.300 -6.746 -0.141 1.00 1.31 C ATOM 1310 NZ LYS A 78 -13.374 -7.907 -0.169 1.00 1.92 N ATOM 0 H LYS A 78 -10.020 -4.888 -2.808 1.00 0.20 H new ATOM 0 HA LYS A 78 -12.485 -4.082 -4.255 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -11.699 -3.770 -1.331 1.00 0.22 H new ATOM 0 HB3 LYS A 78 -13.205 -3.233 -2.049 1.00 0.22 H new ATOM 0 HG2 LYS A 78 -13.862 -5.540 -2.528 1.00 0.29 H new ATOM 0 HG3 LYS A 78 -12.307 -6.137 -1.983 1.00 0.29 H new ATOM 0 HD2 LYS A 78 -12.750 -5.328 0.298 1.00 0.33 H new ATOM 0 HD3 LYS A 78 -14.258 -4.602 -0.221 1.00 0.33 H new ATOM 0 HE2 LYS A 78 -14.794 -6.700 0.829 1.00 1.31 H new ATOM 0 HE3 LYS A 78 -15.080 -6.886 -0.890 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 -13.597 -8.548 0.619 1.00 1.92 H new ATOM 0 HZ2 LYS A 78 -13.482 -8.415 -1.070 1.00 1.92 H new ATOM 0 HZ3 LYS A 78 -12.394 -7.572 -0.076 1.00 1.92 H new ATOM 1324 N TYR A 79 -10.245 -2.162 -2.768 1.00 0.18 N ATOM 1325 CA TYR A 79 -9.524 -0.907 -2.815 1.00 0.19 C ATOM 1326 C TYR A 79 -8.059 -1.184 -3.114 1.00 0.21 C ATOM 1327 O TYR A 79 -7.435 -1.999 -2.439 1.00 0.30 O ATOM 1328 CB TYR A 79 -9.636 -0.173 -1.480 1.00 0.23 C ATOM 1329 CG TYR A 79 -11.050 -0.030 -0.964 1.00 0.34 C ATOM 1330 CD1 TYR A 79 -11.880 0.971 -1.447 1.00 0.60 C ATOM 1331 CD2 TYR A 79 -11.556 -0.899 -0.005 1.00 0.50 C ATOM 1332 CE1 TYR A 79 -13.174 1.108 -0.988 1.00 0.75 C ATOM 1333 CE2 TYR A 79 -12.851 -0.769 0.458 1.00 0.65 C ATOM 1334 CZ TYR A 79 -13.642 0.228 0.007 1.00 0.72 C ATOM 1335 OH TYR A 79 -14.951 0.371 0.416 1.00 0.88 O ATOM 0 H TYR A 79 -9.993 -2.749 -1.973 1.00 0.18 H new ATOM 0 HA TYR A 79 -9.956 -0.281 -3.596 1.00 0.19 H new ATOM 0 HB2 TYR A 79 -9.042 -0.704 -0.736 1.00 0.23 H new ATOM 0 HB3 TYR A 79 -9.199 0.820 -1.587 1.00 0.23 H new ATOM 0 HD1 TYR A 79 -11.507 1.655 -2.195 1.00 0.60 H new ATOM 0 HD2 TYR A 79 -10.928 -1.687 0.384 1.00 0.50 H new ATOM 0 HE1 TYR A 79 -13.818 1.878 -1.386 1.00 0.75 H new ATOM 0 HE2 TYR A 79 -13.233 -1.470 1.186 1.00 0.65 H new ATOM 0 HH TYR A 79 -15.153 -0.296 1.105 1.00 0.88 H new ATOM 1345 N GLY A 80 -7.516 -0.537 -4.131 1.00 0.20 N ATOM 1346 CA GLY A 80 -6.105 -0.680 -4.415 1.00 0.25 C ATOM 1347 C GLY A 80 -5.235 0.041 -3.404 1.00 0.20 C ATOM 1348 O GLY A 80 -5.470 -0.031 -2.198 1.00 0.22 O ATOM 0 H GLY A 80 -8.024 0.082 -4.763 1.00 0.20 H new ATOM 0 HA2 GLY A 80 -5.845 -1.738 -4.425 1.00 0.25 H new ATOM 0 HA3 GLY A 80 -5.897 -0.291 -5.412 1.00 0.25 H new ATOM 1352 N SER A 81 -4.253 0.768 -3.908 1.00 0.23 N ATOM 1353 CA SER A 81 -3.259 1.431 -3.076 1.00 0.25 C ATOM 1354 C SER A 81 -3.880 2.316 -1.987 1.00 0.23 C ATOM 1355 O SER A 81 -3.342 2.405 -0.902 1.00 0.25 O ATOM 1356 CB SER A 81 -2.336 2.259 -3.970 1.00 0.34 C ATOM 1357 OG SER A 81 -1.848 1.477 -5.049 1.00 0.41 O ATOM 0 H SER A 81 -4.121 0.917 -4.908 1.00 0.23 H new ATOM 0 HA SER A 81 -2.695 0.657 -2.555 1.00 0.25 H new ATOM 0 HB2 SER A 81 -2.876 3.124 -4.356 1.00 0.34 H new ATOM 0 HB3 SER A 81 -1.500 2.641 -3.384 1.00 0.34 H new ATOM 0 HG SER A 81 -1.261 2.025 -5.611 1.00 0.41 H new ATOM 1363 N LEU A 82 -4.998 2.981 -2.263 1.00 0.23 N ATOM 1364 CA LEU A 82 -5.610 3.846 -1.248 1.00 0.25 C ATOM 1365 C LEU A 82 -6.119 3.053 -0.065 1.00 0.22 C ATOM 1366 O LEU A 82 -5.672 3.266 1.059 1.00 0.23 O ATOM 1367 CB LEU A 82 -6.750 4.695 -1.809 1.00 0.29 C ATOM 1368 CG LEU A 82 -7.505 5.497 -0.743 1.00 0.42 C ATOM 1369 CD1 LEU A 82 -6.551 6.382 0.044 1.00 0.62 C ATOM 1370 CD2 LEU A 82 -8.600 6.333 -1.372 1.00 0.69 C ATOM 0 H LEU A 82 -5.491 2.944 -3.155 1.00 0.23 H new ATOM 0 HA LEU A 82 -4.814 4.513 -0.917 1.00 0.25 H new ATOM 0 HB2 LEU A 82 -6.347 5.384 -2.551 1.00 0.29 H new ATOM 0 HB3 LEU A 82 -7.454 4.044 -2.328 1.00 0.29 H new ATOM 0 HG LEU A 82 -7.965 4.788 -0.055 1.00 0.42 H new ATOM 0 HD11 LEU A 82 -7.109 6.942 0.795 1.00 0.62 H new ATOM 0 HD12 LEU A 82 -5.802 5.762 0.536 1.00 0.62 H new ATOM 0 HD13 LEU A 82 -6.057 7.078 -0.634 1.00 0.62 H new ATOM 0 HD21 LEU A 82 -9.122 6.893 -0.596 1.00 0.69 H new ATOM 0 HD22 LEU A 82 -8.161 7.028 -2.088 1.00 0.69 H new ATOM 0 HD23 LEU A 82 -9.306 5.681 -1.885 1.00 0.69 H new ATOM 1382 N GLY A 83 -7.054 2.146 -0.316 1.00 0.23 N ATOM 1383 CA GLY A 83 -7.634 1.384 0.759 1.00 0.23 C ATOM 1384 C GLY A 83 -6.579 0.646 1.539 1.00 0.21 C ATOM 1385 O GLY A 83 -6.691 0.491 2.744 1.00 0.23 O ATOM 0 H GLY A 83 -7.417 1.929 -1.244 1.00 0.23 H new ATOM 0 HA2 GLY A 83 -8.182 2.050 1.425 1.00 0.23 H new ATOM 0 HA3 GLY A 83 -8.355 0.673 0.356 1.00 0.23 H new ATOM 1389 N LEU A 84 -5.532 0.235 0.850 1.00 0.20 N ATOM 1390 CA LEU A 84 -4.433 -0.473 1.482 1.00 0.20 C ATOM 1391 C LEU A 84 -3.500 0.480 2.220 1.00 0.21 C ATOM 1392 O LEU A 84 -3.073 0.182 3.325 1.00 0.23 O ATOM 1393 CB LEU A 84 -3.669 -1.269 0.440 1.00 0.20 C ATOM 1394 CG LEU A 84 -4.468 -2.379 -0.220 1.00 0.25 C ATOM 1395 CD1 LEU A 84 -3.668 -3.030 -1.335 1.00 0.24 C ATOM 1396 CD2 LEU A 84 -4.865 -3.399 0.828 1.00 0.30 C ATOM 0 H LEU A 84 -5.418 0.380 -0.153 1.00 0.20 H new ATOM 0 HA LEU A 84 -4.849 -1.156 2.222 1.00 0.20 H new ATOM 0 HB2 LEU A 84 -3.315 -0.586 -0.332 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -2.787 -1.704 0.909 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.368 -1.957 -0.666 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -4.260 -3.822 -1.793 1.00 0.24 H new ATOM 0 HD12 LEU A 84 -3.418 -2.282 -2.088 1.00 0.24 H new ATOM 0 HD13 LEU A 84 -2.751 -3.453 -0.925 1.00 0.24 H new ATOM 0 HD21 LEU A 84 -5.439 -4.198 0.359 1.00 0.30 H new ATOM 0 HD22 LEU A 84 -3.969 -3.817 1.287 1.00 0.30 H new ATOM 0 HD23 LEU A 84 -5.473 -2.917 1.593 1.00 0.30 H new ATOM 1408 N TYR A 85 -3.201 1.628 1.621 1.00 0.21 N ATOM 1409 CA TYR A 85 -2.350 2.635 2.252 1.00 0.23 C ATOM 1410 C TYR A 85 -2.835 2.943 3.665 1.00 0.24 C ATOM 1411 O TYR A 85 -2.039 3.138 4.583 1.00 0.26 O ATOM 1412 CB TYR A 85 -2.321 3.906 1.378 1.00 0.25 C ATOM 1413 CG TYR A 85 -2.561 5.207 2.113 1.00 0.29 C ATOM 1414 CD1 TYR A 85 -3.851 5.698 2.286 1.00 0.28 C ATOM 1415 CD2 TYR A 85 -1.502 5.950 2.617 1.00 0.38 C ATOM 1416 CE1 TYR A 85 -4.075 6.891 2.943 1.00 0.37 C ATOM 1417 CE2 TYR A 85 -1.720 7.142 3.280 1.00 0.45 C ATOM 1418 CZ TYR A 85 -3.007 7.609 3.439 1.00 0.44 C ATOM 1419 OH TYR A 85 -3.227 8.799 4.094 1.00 0.52 O ATOM 0 H TYR A 85 -3.537 1.887 0.693 1.00 0.21 H new ATOM 0 HA TYR A 85 -1.335 2.247 2.335 1.00 0.23 H new ATOM 0 HB2 TYR A 85 -1.352 3.963 0.882 1.00 0.25 H new ATOM 0 HB3 TYR A 85 -3.074 3.806 0.597 1.00 0.25 H new ATOM 0 HD1 TYR A 85 -4.690 5.137 1.900 1.00 0.28 H new ATOM 0 HD2 TYR A 85 -0.492 5.590 2.489 1.00 0.38 H new ATOM 0 HE1 TYR A 85 -5.082 7.261 3.068 1.00 0.37 H new ATOM 0 HE2 TYR A 85 -0.886 7.705 3.672 1.00 0.45 H new ATOM 0 HH TYR A 85 -2.370 9.178 4.381 1.00 0.52 H new ATOM 1429 N VAL A 86 -4.143 2.977 3.829 1.00 0.23 N ATOM 1430 CA VAL A 86 -4.735 3.228 5.128 1.00 0.25 C ATOM 1431 C VAL A 86 -4.993 1.926 5.912 1.00 0.24 C ATOM 1432 O VAL A 86 -4.807 1.880 7.130 1.00 0.27 O ATOM 1433 CB VAL A 86 -6.034 4.061 4.977 1.00 0.28 C ATOM 1434 CG1 VAL A 86 -6.887 3.540 3.834 1.00 0.26 C ATOM 1435 CG2 VAL A 86 -6.835 4.079 6.263 1.00 0.32 C ATOM 0 H VAL A 86 -4.817 2.834 3.077 1.00 0.23 H new ATOM 0 HA VAL A 86 -4.018 3.806 5.711 1.00 0.25 H new ATOM 0 HB VAL A 86 -5.736 5.084 4.749 1.00 0.28 H new ATOM 0 HG11 VAL A 86 -7.791 4.143 3.751 1.00 0.26 H new ATOM 0 HG12 VAL A 86 -6.324 3.601 2.903 1.00 0.26 H new ATOM 0 HG13 VAL A 86 -7.159 2.502 4.027 1.00 0.26 H new ATOM 0 HG21 VAL A 86 -7.739 4.672 6.121 1.00 0.32 H new ATOM 0 HG22 VAL A 86 -7.109 3.060 6.535 1.00 0.32 H new ATOM 0 HG23 VAL A 86 -6.235 4.518 7.060 1.00 0.32 H new ATOM 1445 N ALA A 87 -5.383 0.859 5.223 1.00 0.23 N ATOM 1446 CA ALA A 87 -5.748 -0.389 5.899 1.00 0.24 C ATOM 1447 C ALA A 87 -4.534 -1.212 6.308 1.00 0.22 C ATOM 1448 O ALA A 87 -4.552 -1.883 7.337 1.00 0.24 O ATOM 1449 CB ALA A 87 -6.659 -1.232 5.029 1.00 0.25 C ATOM 0 H ALA A 87 -5.455 0.829 4.206 1.00 0.23 H new ATOM 0 HA ALA A 87 -6.276 -0.099 6.807 1.00 0.24 H new ATOM 0 HB1 ALA A 87 -6.915 -2.152 5.554 1.00 0.25 H new ATOM 0 HB2 ALA A 87 -7.570 -0.675 4.809 1.00 0.25 H new ATOM 0 HB3 ALA A 87 -6.149 -1.476 4.097 1.00 0.25 H new ATOM 1455 N GLU A 88 -3.487 -1.168 5.509 1.00 0.20 N ATOM 1456 CA GLU A 88 -2.302 -1.960 5.777 1.00 0.21 C ATOM 1457 C GLU A 88 -1.488 -1.301 6.890 1.00 0.20 C ATOM 1458 O GLU A 88 -0.818 -1.976 7.677 1.00 0.25 O ATOM 1459 CB GLU A 88 -1.489 -2.140 4.475 1.00 0.21 C ATOM 1460 CG GLU A 88 -0.311 -1.194 4.299 1.00 0.25 C ATOM 1461 CD GLU A 88 0.975 -1.770 4.855 1.00 0.86 C ATOM 1462 OE1 GLU A 88 1.516 -2.735 4.274 1.00 1.28 O ATOM 1463 OE2 GLU A 88 1.461 -1.254 5.877 1.00 1.24 O ATOM 0 H GLU A 88 -3.432 -0.592 4.669 1.00 0.20 H new ATOM 0 HA GLU A 88 -2.581 -2.955 6.123 1.00 0.21 H new ATOM 0 HB2 GLU A 88 -1.118 -3.164 4.438 1.00 0.21 H new ATOM 0 HB3 GLU A 88 -2.162 -2.014 3.627 1.00 0.21 H new ATOM 0 HG2 GLU A 88 -0.180 -0.973 3.240 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.529 -0.249 4.797 1.00 0.25 H new ATOM 1470 N GLN A 89 -1.611 0.019 6.979 1.00 0.22 N ATOM 1471 CA GLN A 89 -0.860 0.810 7.943 1.00 0.24 C ATOM 1472 C GLN A 89 -1.619 1.001 9.251 1.00 0.29 C ATOM 1473 O GLN A 89 -1.016 1.023 10.325 1.00 0.36 O ATOM 1474 CB GLN A 89 -0.533 2.169 7.335 1.00 0.25 C ATOM 1475 CG GLN A 89 0.544 2.104 6.276 1.00 0.27 C ATOM 1476 CD GLN A 89 1.930 1.954 6.874 1.00 0.32 C ATOM 1477 OE1 GLN A 89 2.213 2.472 7.954 1.00 0.35 O ATOM 1478 NE2 GLN A 89 2.795 1.222 6.193 1.00 0.38 N ATOM 0 H GLN A 89 -2.233 0.568 6.386 1.00 0.22 H new ATOM 0 HA GLN A 89 0.056 0.267 8.176 1.00 0.24 H new ATOM 0 HB2 GLN A 89 -1.438 2.592 6.898 1.00 0.25 H new ATOM 0 HB3 GLN A 89 -0.214 2.847 8.127 1.00 0.25 H new ATOM 0 HG2 GLN A 89 0.345 1.265 5.610 1.00 0.27 H new ATOM 0 HG3 GLN A 89 0.509 3.008 5.669 1.00 0.27 H new ATOM 0 HE21 GLN A 89 2.523 0.809 5.301 1.00 0.38 H new ATOM 0 HE22 GLN A 89 3.735 1.070 6.560 1.00 0.38 H new ATOM 1487 N PHE A 90 -2.935 1.152 9.168 1.00 0.29 N ATOM 1488 CA PHE A 90 -3.737 1.423 10.357 1.00 0.34 C ATOM 1489 C PHE A 90 -4.833 0.384 10.549 1.00 0.37 C ATOM 1490 O PHE A 90 -5.097 -0.047 11.672 1.00 0.43 O ATOM 1491 CB PHE A 90 -4.372 2.808 10.267 1.00 0.37 C ATOM 1492 CG PHE A 90 -3.383 3.933 10.173 1.00 0.42 C ATOM 1493 CD1 PHE A 90 -2.773 4.438 11.310 1.00 0.55 C ATOM 1494 CD2 PHE A 90 -3.065 4.490 8.943 1.00 0.43 C ATOM 1495 CE1 PHE A 90 -1.865 5.475 11.222 1.00 0.64 C ATOM 1496 CE2 PHE A 90 -2.157 5.528 8.850 1.00 0.53 C ATOM 1497 CZ PHE A 90 -1.557 6.021 9.991 1.00 0.62 C ATOM 0 H PHE A 90 -3.467 1.092 8.299 1.00 0.29 H new ATOM 0 HA PHE A 90 -3.065 1.378 11.214 1.00 0.34 H new ATOM 0 HB2 PHE A 90 -5.026 2.840 9.395 1.00 0.37 H new ATOM 0 HB3 PHE A 90 -5.001 2.965 11.143 1.00 0.37 H new ATOM 0 HD1 PHE A 90 -3.010 4.016 12.276 1.00 0.55 H new ATOM 0 HD2 PHE A 90 -3.532 4.108 8.047 1.00 0.43 H new ATOM 0 HE1 PHE A 90 -1.396 5.859 12.116 1.00 0.64 H new ATOM 0 HE2 PHE A 90 -1.917 5.952 7.886 1.00 0.53 H new ATOM 0 HZ PHE A 90 -0.848 6.832 9.922 1.00 0.62 H new ATOM 1507 N GLY A 91 -5.480 -0.010 9.464 1.00 0.36 N ATOM 1508 CA GLY A 91 -6.541 -0.990 9.559 1.00 0.41 C ATOM 1509 C GLY A 91 -7.804 -0.530 8.872 1.00 0.43 C ATOM 1510 O GLY A 91 -8.296 0.569 9.123 1.00 0.51 O ATOM 0 H GLY A 91 -5.290 0.330 8.521 1.00 0.36 H new ATOM 0 HA2 GLY A 91 -6.208 -1.928 9.114 1.00 0.41 H new ATOM 0 HA3 GLY A 91 -6.753 -1.193 10.609 1.00 0.41 H new ATOM 1514 N GLU A 92 -8.337 -1.375 8.015 1.00 0.43 N ATOM 1515 CA GLU A 92 -9.520 -1.044 7.242 1.00 0.47 C ATOM 1516 C GLU A 92 -10.730 -0.944 8.147 1.00 0.54 C ATOM 1517 O GLU A 92 -11.574 -0.062 7.987 1.00 0.63 O ATOM 1518 CB GLU A 92 -9.721 -2.101 6.147 1.00 0.50 C ATOM 1519 CG GLU A 92 -11.015 -1.983 5.346 1.00 0.92 C ATOM 1520 CD GLU A 92 -12.192 -2.678 6.004 1.00 1.83 C ATOM 1521 OE1 GLU A 92 -12.109 -3.896 6.257 1.00 2.69 O ATOM 1522 OE2 GLU A 92 -13.208 -2.006 6.280 1.00 2.23 O ATOM 0 H GLU A 92 -7.966 -2.308 7.833 1.00 0.43 H new ATOM 0 HA GLU A 92 -9.389 -0.072 6.766 1.00 0.47 H new ATOM 0 HB2 GLU A 92 -8.880 -2.046 5.455 1.00 0.50 H new ATOM 0 HB3 GLU A 92 -9.690 -3.088 6.609 1.00 0.50 H new ATOM 0 HG2 GLU A 92 -11.255 -0.929 5.209 1.00 0.92 H new ATOM 0 HG3 GLU A 92 -10.860 -2.406 4.354 1.00 0.92 H new ATOM 1529 N GLU A 93 -10.769 -1.827 9.122 1.00 0.57 N ATOM 1530 CA GLU A 93 -11.898 -1.936 10.023 1.00 0.66 C ATOM 1531 C GLU A 93 -12.197 -0.625 10.749 1.00 0.68 C ATOM 1532 O GLU A 93 -13.358 -0.296 10.999 1.00 0.79 O ATOM 1533 CB GLU A 93 -11.632 -3.050 11.033 1.00 0.70 C ATOM 1534 CG GLU A 93 -10.320 -2.888 11.792 1.00 0.68 C ATOM 1535 CD GLU A 93 -10.025 -4.065 12.697 1.00 1.00 C ATOM 1536 OE1 GLU A 93 -9.660 -5.142 12.182 1.00 1.19 O ATOM 1537 OE2 GLU A 93 -10.159 -3.925 13.932 1.00 1.33 O ATOM 0 H GLU A 93 -10.018 -2.491 9.313 1.00 0.57 H new ATOM 0 HA GLU A 93 -12.778 -2.173 9.425 1.00 0.66 H new ATOM 0 HB2 GLU A 93 -12.454 -3.084 11.748 1.00 0.70 H new ATOM 0 HB3 GLU A 93 -11.624 -4.007 10.511 1.00 0.70 H new ATOM 0 HG2 GLU A 93 -9.504 -2.768 11.079 1.00 0.68 H new ATOM 0 HG3 GLU A 93 -10.359 -1.976 12.388 1.00 0.68 H new ATOM 1544 N ASN A 94 -11.157 0.121 11.081 1.00 0.61 N ATOM 1545 CA ASN A 94 -11.327 1.338 11.860 1.00 0.64 C ATOM 1546 C ASN A 94 -11.277 2.594 11.005 1.00 0.65 C ATOM 1547 O ASN A 94 -12.277 3.290 10.852 1.00 0.81 O ATOM 1548 CB ASN A 94 -10.296 1.413 12.998 1.00 0.63 C ATOM 1549 CG ASN A 94 -9.060 0.573 12.736 1.00 0.78 C ATOM 1550 OD1 ASN A 94 -9.002 -0.592 13.113 1.00 1.65 O ATOM 1551 ND2 ASN A 94 -8.056 1.151 12.109 1.00 0.70 N ATOM 0 H ASN A 94 -10.192 -0.091 10.826 1.00 0.61 H new ATOM 0 HA ASN A 94 -12.325 1.291 12.295 1.00 0.64 H new ATOM 0 HB2 ASN A 94 -9.998 2.452 13.143 1.00 0.63 H new ATOM 0 HB3 ASN A 94 -10.763 1.083 13.926 1.00 0.63 H new ATOM 0 HD21 ASN A 94 -7.200 0.627 11.925 1.00 0.70 H new ATOM 0 HD22 ASN A 94 -8.134 2.122 11.807 1.00 0.70 H new ATOM 1558 N VAL A 95 -10.126 2.876 10.433 1.00 0.54 N ATOM 1559 CA VAL A 95 -9.913 4.151 9.763 1.00 0.58 C ATOM 1560 C VAL A 95 -10.387 4.131 8.318 1.00 0.62 C ATOM 1561 O VAL A 95 -10.961 5.104 7.839 1.00 0.76 O ATOM 1562 CB VAL A 95 -8.436 4.558 9.815 1.00 0.57 C ATOM 1563 CG1 VAL A 95 -8.080 5.081 11.195 1.00 0.69 C ATOM 1564 CG2 VAL A 95 -7.562 3.374 9.466 1.00 0.49 C ATOM 0 H VAL A 95 -9.324 2.246 10.416 1.00 0.54 H new ATOM 0 HA VAL A 95 -10.510 4.887 10.301 1.00 0.58 H new ATOM 0 HB VAL A 95 -8.265 5.352 9.088 1.00 0.57 H new ATOM 0 HG11 VAL A 95 -7.028 5.366 11.216 1.00 0.69 H new ATOM 0 HG12 VAL A 95 -8.696 5.950 11.425 1.00 0.69 H new ATOM 0 HG13 VAL A 95 -8.260 4.303 11.937 1.00 0.69 H new ATOM 0 HG21 VAL A 95 -6.514 3.671 9.505 1.00 0.49 H new ATOM 0 HG22 VAL A 95 -7.738 2.569 10.180 1.00 0.49 H new ATOM 0 HG23 VAL A 95 -7.803 3.027 8.461 1.00 0.49 H new