USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1153 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 128 LYS NZ :NH3+ -133:sc= 2.35 (180deg=0.559) USER MOD Set 1.2: A 130 SER OG : rot 43:sc= 1.06 USER MOD Set 2.1: A 22 TYR OH : rot 160:sc= -0.52 USER MOD Set 2.2: A 116 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 129 MET CE :methyl -124:sc= -0.309 (180deg=-4.08!) USER MOD Set 3.1: A 43 LYS NZ :NH3+ 164:sc= 1.41 (180deg=-0.162) USER MOD Set 3.2: A 58 MET CE :methyl -136:sc= -0.0453 (180deg=-0.773) USER MOD Set 3.3: A 60 ASN : amide:sc= -1.38 K(o=-3.3,f=-12!) USER MOD Set 3.4: A 67 THR OG1 : rot 73:sc= -1.83! USER MOD Set 3.5: A 118 TYR OH : rot 179:sc= 1.03 USER MOD Set 3.6: A 127 MET CE :methyl -158:sc= -3.42! (180deg=-6.11!) USER MOD Set 3.7: A 140 TYR OH : rot 180:sc= 0.909 USER MOD Set 4.1: A 10 THR OG1 : rot 180:sc= -1.74! USER MOD Set 4.2: A 143 GLN : amide:sc= -2.29! X(o=-4!,f=-4.4) USER MOD Single : A 2 THR OG1 : rot 29:sc= 0.5 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -177:sc= 0.539 (180deg=0.535) USER MOD Single : A 18 ASN : amide:sc= -0.877 K(o=-0.88,f=-0.12) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -165:sc= -0.964 (180deg=-1.27) USER MOD Single : A 34 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.26) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -157:sc= 0.885 (180deg=0.534) USER MOD Single : A 56 TYR OH : rot -68:sc= -3.42! USER MOD Single : A 62 THR OG1 : rot -78:sc= 1.73 USER MOD Single : A 63 THR OG1 : rot 170:sc= -0.0373 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -117:sc= 1.05 (180deg=-0.211) USER MOD Single : A 68 HIS : no HD1:sc= 0.335 K(o=0.34,f=-3.9!) USER MOD Single : A 69 HIS : no HD1:sc= -1.29 C(o=-1.2!,f=-11!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.494 K(o=-0.49,f=-1.5) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 37:sc= 0.739 USER MOD Single : A 87 GLN : amide:sc= -1.15 K(o=-1.2,f=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.997 K(o=-0.65,f=-8.9!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -124:sc= 0.695 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.0685 K(o=-0.068,f=-1.2!) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0442 USER MOD Single : A 101 THR OG1 : rot 32:sc= 0.435 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.283 K(o=-0.28,f=-5.5!) USER MOD Single : A 106 LYS NZ :NH3+ -163:sc= 1.37 (180deg=0.761) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.00682 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 136 THR OG1 : rot 25:sc= 1.28 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -179:sc= 0.201 (180deg=0.171) USER MOD ----------------------------------------------------------------- ATOM 210 N THR A 2 2.002 -17.884 1.221 1.00 0.86 N ATOM 211 CA THR A 2 1.649 -17.337 2.513 1.00 0.81 C ATOM 212 C THR A 2 2.468 -16.091 2.813 1.00 0.66 C ATOM 213 O THR A 2 3.699 -16.113 2.765 1.00 0.64 O ATOM 214 CB THR A 2 1.826 -18.354 3.643 1.00 0.86 C ATOM 215 OG1 THR A 2 1.573 -19.679 3.150 1.00 0.99 O ATOM 216 CG2 THR A 2 0.861 -18.046 4.780 1.00 0.92 C ATOM 0 HA THR A 2 0.592 -17.074 2.463 1.00 0.81 H new ATOM 0 HB THR A 2 2.849 -18.292 4.013 1.00 0.86 H new ATOM 0 HG1 THR A 2 1.791 -19.720 2.195 1.00 0.99 H new ATOM 0 HG21 THR A 2 0.995 -18.775 5.579 1.00 0.92 H new ATOM 0 HG22 THR A 2 1.060 -17.046 5.165 1.00 0.92 H new ATOM 0 HG23 THR A 2 -0.164 -18.096 4.411 1.00 0.92 H new ATOM 224 N LEU A 3 1.759 -15.009 3.092 1.00 0.59 N ATOM 225 CA LEU A 3 2.380 -13.732 3.414 1.00 0.50 C ATOM 226 C LEU A 3 3.316 -13.853 4.602 1.00 0.49 C ATOM 227 O LEU A 3 2.931 -14.352 5.661 1.00 0.53 O ATOM 228 CB LEU A 3 1.332 -12.666 3.725 1.00 0.49 C ATOM 229 CG LEU A 3 0.968 -11.729 2.571 1.00 0.35 C ATOM 230 CD1 LEU A 3 0.227 -10.521 3.107 1.00 0.51 C ATOM 231 CD2 LEU A 3 2.209 -11.287 1.813 1.00 0.49 C ATOM 0 H LEU A 3 0.739 -14.990 3.102 1.00 0.59 H new ATOM 0 HA LEU A 3 2.950 -13.435 2.534 1.00 0.50 H new ATOM 0 HB2 LEU A 3 0.424 -13.165 4.063 1.00 0.49 H new ATOM 0 HB3 LEU A 3 1.692 -12.062 4.558 1.00 0.49 H new ATOM 0 HG LEU A 3 0.325 -12.271 1.878 1.00 0.35 H new ATOM 0 HD11 LEU A 3 -0.030 -9.856 2.282 1.00 0.51 H new ATOM 0 HD12 LEU A 3 -0.684 -10.846 3.609 1.00 0.51 H new ATOM 0 HD13 LEU A 3 0.862 -9.990 3.816 1.00 0.51 H new ATOM 0 HD21 LEU A 3 1.921 -10.622 0.999 1.00 0.49 H new ATOM 0 HD22 LEU A 3 2.881 -10.760 2.491 1.00 0.49 H new ATOM 0 HD23 LEU A 3 2.717 -12.161 1.405 1.00 0.49 H new ATOM 243 N PRO A 4 4.566 -13.403 4.433 1.00 0.50 N ATOM 244 CA PRO A 4 5.516 -13.304 5.531 1.00 0.54 C ATOM 245 C PRO A 4 4.998 -12.370 6.613 1.00 0.47 C ATOM 246 O PRO A 4 4.545 -11.259 6.323 1.00 0.42 O ATOM 247 CB PRO A 4 6.777 -12.718 4.881 1.00 0.60 C ATOM 248 CG PRO A 4 6.626 -12.989 3.425 1.00 0.61 C ATOM 249 CD PRO A 4 5.149 -12.969 3.153 1.00 0.52 C ATOM 0 HA PRO A 4 5.694 -14.265 6.014 1.00 0.54 H new ATOM 0 HB2 PRO A 4 6.860 -11.649 5.076 1.00 0.60 H new ATOM 0 HB3 PRO A 4 7.678 -13.186 5.277 1.00 0.60 H new ATOM 0 HG2 PRO A 4 7.143 -12.234 2.832 1.00 0.61 H new ATOM 0 HG3 PRO A 4 7.059 -13.954 3.160 1.00 0.61 H new ATOM 0 HD2 PRO A 4 4.805 -11.974 2.870 1.00 0.52 H new ATOM 0 HD3 PRO A 4 4.880 -13.642 2.339 1.00 0.52 H new ATOM 257 N ASP A 5 5.052 -12.842 7.855 1.00 0.51 N ATOM 258 CA ASP A 5 4.596 -12.080 9.021 1.00 0.51 C ATOM 259 C ASP A 5 5.205 -10.679 9.056 1.00 0.45 C ATOM 260 O ASP A 5 4.621 -9.752 9.619 1.00 0.44 O ATOM 261 CB ASP A 5 4.944 -12.842 10.303 1.00 0.63 C ATOM 262 CG ASP A 5 4.664 -12.049 11.563 1.00 1.50 C ATOM 263 OD1 ASP A 5 3.492 -12.016 11.998 1.00 2.09 O ATOM 264 OD2 ASP A 5 5.609 -11.445 12.116 1.00 2.19 O ATOM 0 H ASP A 5 5.414 -13.767 8.086 1.00 0.51 H new ATOM 0 HA ASP A 5 3.515 -11.964 8.947 1.00 0.51 H new ATOM 0 HB2 ASP A 5 4.374 -13.771 10.332 1.00 0.63 H new ATOM 0 HB3 ASP A 5 5.999 -13.116 10.280 1.00 0.63 H new ATOM 269 N LYS A 6 6.374 -10.534 8.442 1.00 0.45 N ATOM 270 CA LYS A 6 7.047 -9.243 8.332 1.00 0.45 C ATOM 271 C LYS A 6 6.182 -8.189 7.632 1.00 0.38 C ATOM 272 O LYS A 6 6.408 -6.992 7.803 1.00 0.42 O ATOM 273 CB LYS A 6 8.368 -9.400 7.575 1.00 0.56 C ATOM 274 CG LYS A 6 9.378 -10.303 8.266 1.00 1.10 C ATOM 275 CD LYS A 6 9.862 -9.717 9.584 1.00 1.64 C ATOM 276 CE LYS A 6 10.929 -10.598 10.215 1.00 2.01 C ATOM 277 NZ LYS A 6 11.423 -10.046 11.505 1.00 2.53 N ATOM 0 H LYS A 6 6.881 -11.305 8.007 1.00 0.45 H new ATOM 0 HA LYS A 6 7.235 -8.896 9.348 1.00 0.45 H new ATOM 0 HB2 LYS A 6 8.160 -9.799 6.582 1.00 0.56 H new ATOM 0 HB3 LYS A 6 8.813 -8.415 7.436 1.00 0.56 H new ATOM 0 HG2 LYS A 6 8.927 -11.279 8.447 1.00 1.10 H new ATOM 0 HG3 LYS A 6 10.231 -10.464 7.606 1.00 1.10 H new ATOM 0 HD2 LYS A 6 10.264 -8.718 9.416 1.00 1.64 H new ATOM 0 HD3 LYS A 6 9.021 -9.611 10.269 1.00 1.64 H new ATOM 0 HE2 LYS A 6 10.523 -11.596 10.381 1.00 2.01 H new ATOM 0 HE3 LYS A 6 11.765 -10.705 9.524 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 12.148 -10.679 11.898 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 11.835 -9.105 11.345 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 10.631 -9.968 12.175 1.00 2.53 H new ATOM 291 N PHE A 7 5.205 -8.608 6.829 1.00 0.36 N ATOM 292 CA PHE A 7 4.338 -7.652 6.156 1.00 0.35 C ATOM 293 C PHE A 7 2.973 -7.596 6.828 1.00 0.32 C ATOM 294 O PHE A 7 2.116 -6.815 6.433 1.00 0.35 O ATOM 295 CB PHE A 7 4.157 -8.019 4.676 1.00 0.39 C ATOM 296 CG PHE A 7 5.435 -8.049 3.880 1.00 0.42 C ATOM 297 CD1 PHE A 7 6.390 -7.054 4.040 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.681 -9.069 2.975 1.00 0.48 C ATOM 299 CE1 PHE A 7 7.563 -7.079 3.311 1.00 0.60 C ATOM 300 CE2 PHE A 7 6.855 -9.096 2.244 1.00 0.54 C ATOM 301 CZ PHE A 7 7.794 -8.108 2.410 1.00 0.57 C ATOM 0 H PHE A 7 4.999 -9.587 6.633 1.00 0.36 H new ATOM 0 HA PHE A 7 4.815 -6.674 6.224 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.681 -8.998 4.613 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.475 -7.303 4.218 1.00 0.39 H new ATOM 0 HD1 PHE A 7 6.214 -6.252 4.742 1.00 0.52 H new ATOM 0 HD2 PHE A 7 4.949 -9.851 2.839 1.00 0.48 H new ATOM 0 HE1 PHE A 7 8.299 -6.299 3.442 1.00 0.60 H new ATOM 0 HE2 PHE A 7 7.034 -9.896 1.541 1.00 0.54 H new ATOM 0 HZ PHE A 7 8.711 -8.132 1.840 1.00 0.57 H new ATOM 311 N LEU A 8 2.779 -8.412 7.855 1.00 0.30 N ATOM 312 CA LEU A 8 1.476 -8.551 8.480 1.00 0.29 C ATOM 313 C LEU A 8 1.389 -7.765 9.782 1.00 0.29 C ATOM 314 O LEU A 8 2.396 -7.533 10.456 1.00 0.33 O ATOM 315 CB LEU A 8 1.182 -10.030 8.726 1.00 0.34 C ATOM 316 CG LEU A 8 1.087 -10.864 7.452 1.00 0.37 C ATOM 317 CD1 LEU A 8 0.941 -12.338 7.770 1.00 0.46 C ATOM 318 CD2 LEU A 8 -0.075 -10.385 6.607 1.00 0.35 C ATOM 0 H LEU A 8 3.511 -8.988 8.272 1.00 0.30 H new ATOM 0 HA LEU A 8 0.727 -8.139 7.804 1.00 0.29 H new ATOM 0 HB2 LEU A 8 1.964 -10.445 9.362 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.245 -10.117 9.276 1.00 0.34 H new ATOM 0 HG LEU A 8 2.012 -10.737 6.890 1.00 0.37 H new ATOM 0 HD11 LEU A 8 0.876 -12.906 6.842 1.00 0.46 H new ATOM 0 HD12 LEU A 8 1.806 -12.674 8.341 1.00 0.46 H new ATOM 0 HD13 LEU A 8 0.036 -12.496 8.356 1.00 0.46 H new ATOM 0 HD21 LEU A 8 -0.136 -10.985 5.699 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -1.002 -10.486 7.172 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.076 -9.339 6.341 1.00 0.35 H new ATOM 330 N GLY A 9 0.173 -7.366 10.125 1.00 0.32 N ATOM 331 CA GLY A 9 -0.061 -6.599 11.327 1.00 0.33 C ATOM 332 C GLY A 9 -0.743 -5.285 11.026 1.00 0.31 C ATOM 333 O GLY A 9 -1.861 -5.264 10.505 1.00 0.52 O ATOM 0 H GLY A 9 -0.667 -7.565 9.581 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.676 -7.179 12.015 1.00 0.33 H new ATOM 0 HA3 GLY A 9 0.888 -6.410 11.829 1.00 0.33 H new ATOM 337 N THR A 10 -0.074 -4.188 11.333 1.00 0.34 N ATOM 338 CA THR A 10 -0.615 -2.869 11.061 1.00 0.35 C ATOM 339 C THR A 10 0.470 -1.813 11.229 1.00 0.32 C ATOM 340 O THR A 10 1.258 -1.848 12.176 1.00 0.40 O ATOM 341 CB THR A 10 -1.811 -2.540 11.976 1.00 0.38 C ATOM 342 OG1 THR A 10 -2.486 -1.359 11.520 1.00 1.05 O ATOM 343 CG2 THR A 10 -1.353 -2.333 13.398 1.00 0.99 C ATOM 0 H THR A 10 0.847 -4.185 11.772 1.00 0.34 H new ATOM 0 HA THR A 10 -0.972 -2.867 10.031 1.00 0.35 H new ATOM 0 HB THR A 10 -2.499 -3.384 11.941 1.00 0.38 H new ATOM 0 HG1 THR A 10 -3.243 -1.166 12.111 1.00 1.05 H new ATOM 0 HG21 THR A 10 -2.213 -2.102 14.027 1.00 0.99 H new ATOM 0 HG22 THR A 10 -0.871 -3.241 13.761 1.00 0.99 H new ATOM 0 HG23 THR A 10 -0.644 -1.506 13.435 1.00 0.99 H new ATOM 351 N PHE A 11 0.514 -0.894 10.295 1.00 0.27 N ATOM 352 CA PHE A 11 1.550 0.120 10.266 1.00 0.27 C ATOM 353 C PHE A 11 0.966 1.519 10.088 1.00 0.28 C ATOM 354 O PHE A 11 0.188 1.753 9.160 1.00 0.32 O ATOM 355 CB PHE A 11 2.523 -0.164 9.111 1.00 0.31 C ATOM 356 CG PHE A 11 3.118 -1.546 9.116 1.00 0.33 C ATOM 357 CD1 PHE A 11 4.240 -1.827 9.878 1.00 0.42 C ATOM 358 CD2 PHE A 11 2.560 -2.559 8.350 1.00 0.38 C ATOM 359 CE1 PHE A 11 4.795 -3.093 9.876 1.00 0.47 C ATOM 360 CE2 PHE A 11 3.109 -3.826 8.346 1.00 0.43 C ATOM 361 CZ PHE A 11 4.228 -4.094 9.109 1.00 0.44 C ATOM 0 H PHE A 11 -0.162 -0.824 9.535 1.00 0.27 H new ATOM 0 HA PHE A 11 2.073 0.084 11.222 1.00 0.27 H new ATOM 0 HB2 PHE A 11 1.999 -0.012 8.167 1.00 0.31 H new ATOM 0 HB3 PHE A 11 3.332 0.565 9.148 1.00 0.31 H new ATOM 0 HD1 PHE A 11 4.686 -1.049 10.480 1.00 0.42 H new ATOM 0 HD2 PHE A 11 1.686 -2.354 7.750 1.00 0.38 H new ATOM 0 HE1 PHE A 11 5.671 -3.300 10.473 1.00 0.47 H new ATOM 0 HE2 PHE A 11 2.664 -4.606 7.747 1.00 0.43 H new ATOM 0 HZ PHE A 11 4.660 -5.084 9.107 1.00 0.44 H new ATOM 371 N LYS A 12 1.336 2.456 10.966 1.00 0.29 N ATOM 372 CA LYS A 12 1.001 3.853 10.729 1.00 0.33 C ATOM 373 C LYS A 12 2.189 4.556 10.063 1.00 0.27 C ATOM 374 O LYS A 12 3.343 4.329 10.430 1.00 0.69 O ATOM 375 CB LYS A 12 0.580 4.547 12.037 1.00 0.48 C ATOM 376 CG LYS A 12 1.654 4.620 13.117 1.00 0.78 C ATOM 377 CD LYS A 12 2.563 5.832 12.948 1.00 1.28 C ATOM 378 CE LYS A 12 1.810 7.141 13.135 1.00 1.72 C ATOM 379 NZ LYS A 12 2.686 8.317 12.894 1.00 2.19 N ATOM 0 H LYS A 12 1.855 2.275 11.825 1.00 0.29 H new ATOM 0 HA LYS A 12 0.147 3.911 10.054 1.00 0.33 H new ATOM 0 HB2 LYS A 12 0.256 5.561 11.802 1.00 0.48 H new ATOM 0 HB3 LYS A 12 -0.285 4.023 12.444 1.00 0.48 H new ATOM 0 HG2 LYS A 12 1.179 4.659 14.097 1.00 0.78 H new ATOM 0 HG3 LYS A 12 2.255 3.711 13.090 1.00 0.78 H new ATOM 0 HD2 LYS A 12 3.378 5.777 13.669 1.00 1.28 H new ATOM 0 HD3 LYS A 12 3.013 5.812 11.956 1.00 1.28 H new ATOM 0 HE2 LYS A 12 0.961 7.173 12.452 1.00 1.72 H new ATOM 0 HE3 LYS A 12 1.407 7.188 14.147 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 2.153 9.191 13.080 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 3.509 8.272 13.528 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 3.009 8.312 11.906 1.00 2.19 H new ATOM 393 N LEU A 13 1.907 5.360 9.045 1.00 0.60 N ATOM 394 CA LEU A 13 2.952 6.066 8.305 1.00 0.50 C ATOM 395 C LEU A 13 3.764 6.974 9.228 1.00 0.46 C ATOM 396 O LEU A 13 3.207 7.766 9.996 1.00 0.52 O ATOM 397 CB LEU A 13 2.325 6.876 7.164 1.00 0.52 C ATOM 398 CG LEU A 13 3.290 7.351 6.069 1.00 0.55 C ATOM 399 CD1 LEU A 13 2.527 7.632 4.793 1.00 1.14 C ATOM 400 CD2 LEU A 13 4.038 8.603 6.492 1.00 1.04 C ATOM 0 H LEU A 13 0.961 5.541 8.710 1.00 0.60 H new ATOM 0 HA LEU A 13 3.635 5.329 7.883 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.548 6.270 6.698 1.00 0.52 H new ATOM 0 HB3 LEU A 13 1.834 7.750 7.592 1.00 0.52 H new ATOM 0 HG LEU A 13 4.016 6.556 5.900 1.00 0.55 H new ATOM 0 HD11 LEU A 13 3.220 7.969 4.022 1.00 1.14 H new ATOM 0 HD12 LEU A 13 2.027 6.722 4.460 1.00 1.14 H new ATOM 0 HD13 LEU A 13 1.784 8.408 4.977 1.00 1.14 H new ATOM 0 HD21 LEU A 13 4.712 8.911 5.693 1.00 1.04 H new ATOM 0 HD22 LEU A 13 3.325 9.402 6.694 1.00 1.04 H new ATOM 0 HD23 LEU A 13 4.615 8.395 7.393 1.00 1.04 H new ATOM 412 N GLU A 14 5.085 6.847 9.151 1.00 0.45 N ATOM 413 CA GLU A 14 5.988 7.624 9.986 1.00 0.48 C ATOM 414 C GLU A 14 6.502 8.839 9.216 1.00 0.45 C ATOM 415 O GLU A 14 6.384 9.972 9.678 1.00 0.49 O ATOM 416 CB GLU A 14 7.155 6.730 10.436 1.00 0.55 C ATOM 417 CG GLU A 14 7.911 7.229 11.664 1.00 0.67 C ATOM 418 CD GLU A 14 8.859 8.374 11.372 1.00 1.17 C ATOM 419 OE1 GLU A 14 9.975 8.114 10.870 1.00 2.08 O ATOM 420 OE2 GLU A 14 8.506 9.532 11.666 1.00 1.56 O ATOM 0 H GLU A 14 5.555 6.206 8.512 1.00 0.45 H new ATOM 0 HA GLU A 14 5.456 7.983 10.867 1.00 0.48 H new ATOM 0 HB2 GLU A 14 6.769 5.732 10.646 1.00 0.55 H new ATOM 0 HB3 GLU A 14 7.859 6.633 9.609 1.00 0.55 H new ATOM 0 HG2 GLU A 14 7.191 7.548 12.418 1.00 0.67 H new ATOM 0 HG3 GLU A 14 8.476 6.401 12.093 1.00 0.67 H new ATOM 427 N ARG A 15 7.044 8.603 8.025 1.00 0.42 N ATOM 428 CA ARG A 15 7.631 9.676 7.230 1.00 0.44 C ATOM 429 C ARG A 15 7.612 9.322 5.745 1.00 0.37 C ATOM 430 O ARG A 15 7.227 8.214 5.365 1.00 0.38 O ATOM 431 CB ARG A 15 9.072 9.930 7.674 1.00 0.51 C ATOM 432 CG ARG A 15 10.000 8.778 7.344 1.00 0.53 C ATOM 433 CD ARG A 15 11.394 8.998 7.900 1.00 0.77 C ATOM 434 NE ARG A 15 12.297 7.902 7.550 1.00 1.68 N ATOM 435 CZ ARG A 15 12.516 6.837 8.321 1.00 2.34 C ATOM 436 NH1 ARG A 15 11.877 6.701 9.479 1.00 2.45 N ATOM 437 NH2 ARG A 15 13.368 5.898 7.925 1.00 3.36 N ATOM 0 H ARG A 15 7.089 7.681 7.590 1.00 0.42 H new ATOM 0 HA ARG A 15 7.038 10.577 7.384 1.00 0.44 H new ATOM 0 HB2 ARG A 15 9.441 10.837 7.194 1.00 0.51 H new ATOM 0 HB3 ARG A 15 9.090 10.109 8.749 1.00 0.51 H new ATOM 0 HG2 ARG A 15 9.589 7.853 7.749 1.00 0.53 H new ATOM 0 HG3 ARG A 15 10.056 8.655 6.262 1.00 0.53 H new ATOM 0 HD2 ARG A 15 11.795 9.936 7.516 1.00 0.77 H new ATOM 0 HD3 ARG A 15 11.342 9.094 8.985 1.00 0.77 H new ATOM 0 HE ARG A 15 12.791 7.956 6.659 1.00 1.68 H new ATOM 0 HH11 ARG A 15 11.214 7.414 9.783 1.00 2.45 H new ATOM 0 HH12 ARG A 15 12.050 5.883 10.064 1.00 2.45 H new ATOM 0 HH21 ARG A 15 13.853 5.993 7.033 1.00 3.36 H new ATOM 0 HH22 ARG A 15 13.537 5.082 8.513 1.00 3.36 H new ATOM 451 N ASP A 16 8.043 10.261 4.914 1.00 0.38 N ATOM 452 CA ASP A 16 8.089 10.053 3.473 1.00 0.43 C ATOM 453 C ASP A 16 9.229 10.853 2.853 1.00 0.39 C ATOM 454 O ASP A 16 9.697 11.829 3.439 1.00 0.52 O ATOM 455 CB ASP A 16 6.759 10.459 2.836 1.00 0.66 C ATOM 456 CG ASP A 16 6.465 11.941 2.985 1.00 0.68 C ATOM 457 OD1 ASP A 16 5.900 12.337 4.021 1.00 1.19 O ATOM 458 OD2 ASP A 16 6.795 12.715 2.064 1.00 0.72 O ATOM 0 H ASP A 16 8.368 11.180 5.215 1.00 0.38 H new ATOM 0 HA ASP A 16 8.263 8.994 3.284 1.00 0.43 H new ATOM 0 HB2 ASP A 16 6.774 10.201 1.777 1.00 0.66 H new ATOM 0 HB3 ASP A 16 5.952 9.885 3.292 1.00 0.66 H new ATOM 463 N GLU A 17 9.671 10.431 1.672 1.00 0.36 N ATOM 464 CA GLU A 17 10.790 11.069 0.981 1.00 0.38 C ATOM 465 C GLU A 17 10.485 11.249 -0.508 1.00 0.40 C ATOM 466 O GLU A 17 10.175 10.274 -1.192 1.00 0.83 O ATOM 467 CB GLU A 17 12.054 10.216 1.133 1.00 0.48 C ATOM 468 CG GLU A 17 12.704 10.293 2.508 1.00 1.18 C ATOM 469 CD GLU A 17 13.454 11.590 2.718 1.00 1.83 C ATOM 470 OE1 GLU A 17 14.455 11.834 2.013 1.00 2.66 O ATOM 471 OE2 GLU A 17 13.050 12.370 3.606 1.00 2.13 O ATOM 0 H GLU A 17 9.267 9.642 1.168 1.00 0.36 H new ATOM 0 HA GLU A 17 10.947 12.050 1.430 1.00 0.38 H new ATOM 0 HB2 GLU A 17 11.804 9.177 0.921 1.00 0.48 H new ATOM 0 HB3 GLU A 17 12.781 10.528 0.383 1.00 0.48 H new ATOM 0 HG2 GLU A 17 11.937 10.191 3.276 1.00 1.18 H new ATOM 0 HG3 GLU A 17 13.391 9.455 2.630 1.00 1.18 H new ATOM 478 N ASN A 18 10.565 12.494 -0.991 1.00 0.34 N ATOM 479 CA ASN A 18 10.421 12.813 -2.424 1.00 0.30 C ATOM 480 C ASN A 18 8.980 12.588 -2.898 1.00 0.28 C ATOM 481 O ASN A 18 8.717 12.301 -4.074 1.00 0.27 O ATOM 482 CB ASN A 18 11.407 11.977 -3.257 1.00 0.32 C ATOM 483 CG ASN A 18 11.749 12.611 -4.593 1.00 0.42 C ATOM 484 OD1 ASN A 18 12.673 13.416 -4.688 1.00 0.76 O ATOM 485 ND2 ASN A 18 11.024 12.243 -5.635 1.00 0.66 N ATOM 0 H ASN A 18 10.731 13.311 -0.404 1.00 0.34 H new ATOM 0 HA ASN A 18 10.655 13.868 -2.564 1.00 0.30 H new ATOM 0 HB2 ASN A 18 12.324 11.833 -2.685 1.00 0.32 H new ATOM 0 HB3 ASN A 18 10.980 10.989 -3.430 1.00 0.32 H new ATOM 0 HD21 ASN A 18 11.224 12.630 -6.557 1.00 0.66 H new ATOM 0 HD22 ASN A 18 10.265 11.572 -5.517 1.00 0.66 H new ATOM 492 N PHE A 19 8.046 12.758 -1.975 1.00 0.30 N ATOM 493 CA PHE A 19 6.645 12.479 -2.249 1.00 0.31 C ATOM 494 C PHE A 19 6.045 13.548 -3.157 1.00 0.31 C ATOM 495 O PHE A 19 5.297 13.238 -4.086 1.00 0.32 O ATOM 496 CB PHE A 19 5.853 12.379 -0.945 1.00 0.37 C ATOM 497 CG PHE A 19 4.479 11.808 -1.131 1.00 0.36 C ATOM 498 CD1 PHE A 19 4.317 10.514 -1.596 1.00 0.45 C ATOM 499 CD2 PHE A 19 3.354 12.562 -0.846 1.00 0.45 C ATOM 500 CE1 PHE A 19 3.059 9.981 -1.776 1.00 0.49 C ATOM 501 CE2 PHE A 19 2.091 12.032 -1.022 1.00 0.48 C ATOM 502 CZ PHE A 19 1.944 10.739 -1.488 1.00 0.44 C ATOM 0 H PHE A 19 8.233 13.088 -1.028 1.00 0.30 H new ATOM 0 HA PHE A 19 6.585 11.521 -2.766 1.00 0.31 H new ATOM 0 HB2 PHE A 19 6.405 11.758 -0.239 1.00 0.37 H new ATOM 0 HB3 PHE A 19 5.770 13.371 -0.501 1.00 0.37 H new ATOM 0 HD1 PHE A 19 5.187 9.915 -1.820 1.00 0.45 H new ATOM 0 HD2 PHE A 19 3.465 13.573 -0.483 1.00 0.45 H new ATOM 0 HE1 PHE A 19 2.947 8.971 -2.142 1.00 0.49 H new ATOM 0 HE2 PHE A 19 1.219 12.627 -0.796 1.00 0.48 H new ATOM 0 HZ PHE A 19 0.957 10.323 -1.626 1.00 0.44 H new ATOM 512 N ASP A 20 6.379 14.806 -2.881 1.00 0.33 N ATOM 513 CA ASP A 20 5.935 15.929 -3.706 1.00 0.37 C ATOM 514 C ASP A 20 6.267 15.707 -5.180 1.00 0.33 C ATOM 515 O ASP A 20 5.373 15.712 -6.030 1.00 0.33 O ATOM 516 CB ASP A 20 6.583 17.224 -3.206 1.00 0.46 C ATOM 517 CG ASP A 20 6.388 18.394 -4.152 1.00 1.08 C ATOM 518 OD1 ASP A 20 7.266 18.612 -5.014 1.00 1.22 O ATOM 519 OD2 ASP A 20 5.380 19.117 -4.016 1.00 2.04 O ATOM 0 H ASP A 20 6.960 15.076 -2.087 1.00 0.33 H new ATOM 0 HA ASP A 20 4.851 16.007 -3.620 1.00 0.37 H new ATOM 0 HB2 ASP A 20 6.165 17.479 -2.232 1.00 0.46 H new ATOM 0 HB3 ASP A 20 7.650 17.056 -3.061 1.00 0.46 H new ATOM 524 N GLU A 21 7.550 15.495 -5.474 1.00 0.34 N ATOM 525 CA GLU A 21 7.992 15.276 -6.851 1.00 0.35 C ATOM 526 C GLU A 21 7.256 14.110 -7.496 1.00 0.31 C ATOM 527 O GLU A 21 6.911 14.173 -8.677 1.00 0.34 O ATOM 528 CB GLU A 21 9.504 15.052 -6.925 1.00 0.41 C ATOM 529 CG GLU A 21 10.304 16.314 -6.679 1.00 0.51 C ATOM 530 CD GLU A 21 11.791 16.133 -6.904 1.00 1.14 C ATOM 531 OE1 GLU A 21 12.183 15.670 -7.997 1.00 1.65 O ATOM 532 OE2 GLU A 21 12.575 16.445 -5.987 1.00 1.79 O ATOM 0 H GLU A 21 8.298 15.470 -4.781 1.00 0.34 H new ATOM 0 HA GLU A 21 7.752 16.181 -7.408 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.790 14.299 -6.191 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.759 14.653 -7.907 1.00 0.41 H new ATOM 0 HG2 GLU A 21 9.937 17.102 -7.336 1.00 0.51 H new ATOM 0 HG3 GLU A 21 10.136 16.649 -5.655 1.00 0.51 H new ATOM 539 N TYR A 22 7.013 13.050 -6.727 1.00 0.29 N ATOM 540 CA TYR A 22 6.257 11.917 -7.239 1.00 0.28 C ATOM 541 C TYR A 22 4.862 12.350 -7.698 1.00 0.30 C ATOM 542 O TYR A 22 4.385 11.920 -8.749 1.00 0.33 O ATOM 543 CB TYR A 22 6.145 10.819 -6.182 1.00 0.30 C ATOM 544 CG TYR A 22 5.175 9.729 -6.565 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.954 9.602 -5.920 1.00 0.41 C ATOM 546 CD2 TYR A 22 5.494 8.815 -7.561 1.00 0.38 C ATOM 547 CE1 TYR A 22 3.076 8.591 -6.255 1.00 0.48 C ATOM 548 CE2 TYR A 22 4.621 7.807 -7.904 1.00 0.44 C ATOM 549 CZ TYR A 22 3.371 7.754 -7.299 1.00 0.50 C ATOM 550 OH TYR A 22 2.552 6.684 -7.577 1.00 0.57 O ATOM 0 H TYR A 22 7.325 12.955 -5.761 1.00 0.29 H new ATOM 0 HA TYR A 22 6.795 11.520 -8.100 1.00 0.28 H new ATOM 0 HB2 TYR A 22 7.129 10.380 -6.016 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.830 11.262 -5.237 1.00 0.30 H new ATOM 0 HD1 TYR A 22 3.686 10.304 -5.144 1.00 0.41 H new ATOM 0 HD2 TYR A 22 6.441 8.896 -8.074 1.00 0.38 H new ATOM 0 HE1 TYR A 22 2.161 8.460 -5.697 1.00 0.48 H new ATOM 0 HE2 TYR A 22 4.905 7.065 -8.636 1.00 0.44 H new ATOM 0 HH TYR A 22 2.703 6.387 -8.499 1.00 0.57 H new ATOM 560 N LEU A 23 4.220 13.214 -6.920 1.00 0.28 N ATOM 561 CA LEU A 23 2.869 13.666 -7.235 1.00 0.30 C ATOM 562 C LEU A 23 2.856 14.485 -8.520 1.00 0.34 C ATOM 563 O LEU A 23 1.927 14.386 -9.322 1.00 0.37 O ATOM 564 CB LEU A 23 2.302 14.495 -6.085 1.00 0.30 C ATOM 565 CG LEU A 23 2.124 13.737 -4.772 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.571 14.657 -3.699 1.00 0.33 C ATOM 567 CD2 LEU A 23 1.208 12.545 -4.975 1.00 0.32 C ATOM 0 H LEU A 23 4.612 13.615 -6.068 1.00 0.28 H new ATOM 0 HA LEU A 23 2.244 12.784 -7.379 1.00 0.30 H new ATOM 0 HB2 LEU A 23 2.961 15.345 -5.910 1.00 0.30 H new ATOM 0 HB3 LEU A 23 1.336 14.898 -6.389 1.00 0.30 H new ATOM 0 HG LEU A 23 3.098 13.374 -4.444 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.450 14.101 -2.770 1.00 0.33 H new ATOM 0 HD12 LEU A 23 2.261 15.485 -3.539 1.00 0.33 H new ATOM 0 HD13 LEU A 23 0.604 15.047 -4.017 1.00 0.33 H new ATOM 0 HD21 LEU A 23 1.089 12.013 -4.031 1.00 0.32 H new ATOM 0 HD22 LEU A 23 0.234 12.890 -5.322 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.642 11.875 -5.717 1.00 0.32 H new ATOM 579 N LYS A 24 3.902 15.278 -8.711 1.00 0.34 N ATOM 580 CA LYS A 24 4.038 16.092 -9.911 1.00 0.39 C ATOM 581 C LYS A 24 4.186 15.194 -11.133 1.00 0.40 C ATOM 582 O LYS A 24 3.566 15.430 -12.173 1.00 0.44 O ATOM 583 CB LYS A 24 5.253 17.015 -9.787 1.00 0.41 C ATOM 584 CG LYS A 24 5.228 17.888 -8.543 1.00 0.45 C ATOM 585 CD LYS A 24 6.479 18.745 -8.430 1.00 0.55 C ATOM 586 CE LYS A 24 6.525 19.823 -9.500 1.00 1.35 C ATOM 587 NZ LYS A 24 7.808 20.576 -9.474 1.00 1.88 N ATOM 0 H LYS A 24 4.671 15.375 -8.048 1.00 0.34 H new ATOM 0 HA LYS A 24 3.143 16.704 -10.026 1.00 0.39 H new ATOM 0 HB2 LYS A 24 6.159 16.410 -9.778 1.00 0.41 H new ATOM 0 HB3 LYS A 24 5.305 17.654 -10.668 1.00 0.41 H new ATOM 0 HG2 LYS A 24 4.348 18.531 -8.568 1.00 0.45 H new ATOM 0 HG3 LYS A 24 5.138 17.258 -7.658 1.00 0.45 H new ATOM 0 HD2 LYS A 24 6.513 19.210 -7.445 1.00 0.55 H new ATOM 0 HD3 LYS A 24 7.362 18.112 -8.514 1.00 0.55 H new ATOM 0 HE2 LYS A 24 6.392 19.367 -10.481 1.00 1.35 H new ATOM 0 HE3 LYS A 24 5.695 20.515 -9.355 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 7.800 21.302 -10.219 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 7.924 21.033 -8.547 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 8.599 19.921 -9.638 1.00 1.88 H new ATOM 601 N ALA A 25 5.014 14.167 -10.985 1.00 0.40 N ATOM 602 CA ALA A 25 5.206 13.162 -12.028 1.00 0.43 C ATOM 603 C ALA A 25 3.887 12.477 -12.373 1.00 0.43 C ATOM 604 O ALA A 25 3.593 12.226 -13.539 1.00 0.44 O ATOM 605 CB ALA A 25 6.227 12.132 -11.581 1.00 0.43 C ATOM 0 H ALA A 25 5.569 14.006 -10.145 1.00 0.40 H new ATOM 0 HA ALA A 25 5.575 13.665 -12.922 1.00 0.43 H new ATOM 0 HB1 ALA A 25 6.362 11.388 -12.367 1.00 0.43 H new ATOM 0 HB2 ALA A 25 7.178 12.625 -11.382 1.00 0.43 H new ATOM 0 HB3 ALA A 25 5.876 11.641 -10.673 1.00 0.43 H new ATOM 611 N ARG A 26 3.097 12.197 -11.343 1.00 0.43 N ATOM 612 CA ARG A 26 1.801 11.541 -11.510 1.00 0.45 C ATOM 613 C ARG A 26 0.825 12.419 -12.286 1.00 0.47 C ATOM 614 O ARG A 26 -0.186 11.938 -12.800 1.00 0.51 O ATOM 615 CB ARG A 26 1.198 11.199 -10.150 1.00 0.48 C ATOM 616 CG ARG A 26 1.882 10.048 -9.440 1.00 0.85 C ATOM 617 CD ARG A 26 1.766 8.756 -10.230 1.00 0.72 C ATOM 618 NE ARG A 26 0.383 8.452 -10.598 1.00 0.76 N ATOM 619 CZ ARG A 26 -0.001 7.286 -11.102 1.00 0.78 C ATOM 620 NH1 ARG A 26 0.866 6.291 -11.214 1.00 1.29 N ATOM 621 NH2 ARG A 26 -1.264 7.107 -11.471 1.00 1.06 N ATOM 0 H ARG A 26 3.332 12.415 -10.375 1.00 0.43 H new ATOM 0 HA ARG A 26 1.971 10.626 -12.077 1.00 0.45 H new ATOM 0 HB2 ARG A 26 1.242 12.082 -9.513 1.00 0.48 H new ATOM 0 HB3 ARG A 26 0.144 10.955 -10.283 1.00 0.48 H new ATOM 0 HG2 ARG A 26 2.934 10.288 -9.286 1.00 0.85 H new ATOM 0 HG3 ARG A 26 1.439 9.913 -8.453 1.00 0.85 H new ATOM 0 HD2 ARG A 26 2.372 8.829 -11.133 1.00 0.72 H new ATOM 0 HD3 ARG A 26 2.172 7.934 -9.640 1.00 0.72 H new ATOM 0 HE ARG A 26 -0.324 9.175 -10.460 1.00 0.76 H new ATOM 0 HH11 ARG A 26 1.832 6.420 -10.912 1.00 1.29 H new ATOM 0 HH12 ARG A 26 0.568 5.396 -11.602 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -1.938 7.865 -11.367 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -1.560 6.211 -11.859 1.00 1.06 H new ATOM 635 N GLY A 27 1.133 13.701 -12.370 1.00 0.46 N ATOM 636 CA GLY A 27 0.259 14.623 -13.054 1.00 0.49 C ATOM 637 C GLY A 27 -0.694 15.316 -12.109 1.00 0.50 C ATOM 638 O GLY A 27 -1.688 15.897 -12.542 1.00 0.62 O ATOM 0 H GLY A 27 1.975 14.120 -11.975 1.00 0.46 H new ATOM 0 HA2 GLY A 27 0.858 15.370 -13.575 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -0.311 14.086 -13.812 1.00 0.49 H new ATOM 642 N TYR A 28 -0.403 15.256 -10.818 1.00 0.48 N ATOM 643 CA TYR A 28 -1.224 15.935 -9.832 1.00 0.53 C ATOM 644 C TYR A 28 -0.799 17.389 -9.713 1.00 0.56 C ATOM 645 O TYR A 28 0.376 17.689 -9.480 1.00 0.54 O ATOM 646 CB TYR A 28 -1.127 15.255 -8.465 1.00 0.51 C ATOM 647 CG TYR A 28 -1.789 13.897 -8.404 1.00 0.53 C ATOM 648 CD1 TYR A 28 -1.055 12.758 -8.098 1.00 0.52 C ATOM 649 CD2 TYR A 28 -3.145 13.751 -8.667 1.00 0.59 C ATOM 650 CE1 TYR A 28 -1.652 11.513 -8.054 1.00 0.54 C ATOM 651 CE2 TYR A 28 -3.751 12.511 -8.623 1.00 0.63 C ATOM 652 CZ TYR A 28 -3.014 11.404 -8.269 1.00 0.60 C ATOM 653 OH TYR A 28 -3.600 10.161 -8.273 1.00 0.64 O ATOM 0 H TYR A 28 0.392 14.746 -10.432 1.00 0.48 H new ATOM 0 HA TYR A 28 -2.260 15.884 -10.166 1.00 0.53 H new ATOM 0 HB2 TYR A 28 -0.076 15.147 -8.198 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -1.581 15.903 -7.715 1.00 0.51 H new ATOM 0 HD1 TYR A 28 0.001 12.847 -7.891 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -3.735 14.622 -8.910 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -1.060 10.632 -7.853 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -4.799 12.410 -8.865 1.00 0.63 H new ATOM 0 HH TYR A 28 -4.562 10.253 -8.436 1.00 0.64 H new ATOM 663 N GLY A 29 -1.760 18.282 -9.880 1.00 0.68 N ATOM 664 CA GLY A 29 -1.486 19.695 -9.784 1.00 0.80 C ATOM 665 C GLY A 29 -1.359 20.147 -8.348 1.00 0.88 C ATOM 666 O GLY A 29 -1.474 19.336 -7.425 1.00 1.54 O ATOM 0 H GLY A 29 -2.732 18.049 -10.082 1.00 0.68 H new ATOM 0 HA2 GLY A 29 -0.565 19.923 -10.320 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -2.285 20.254 -10.271 1.00 0.80 H new ATOM 670 N TRP A 30 -1.146 21.441 -8.166 1.00 0.54 N ATOM 671 CA TRP A 30 -0.914 22.020 -6.847 1.00 0.56 C ATOM 672 C TRP A 30 -1.989 21.602 -5.843 1.00 0.54 C ATOM 673 O TRP A 30 -1.670 21.132 -4.752 1.00 0.52 O ATOM 674 CB TRP A 30 -0.849 23.543 -6.967 1.00 0.65 C ATOM 675 CG TRP A 30 -0.709 24.249 -5.655 1.00 0.75 C ATOM 676 CD1 TRP A 30 0.437 24.444 -4.940 1.00 0.84 C ATOM 677 CD2 TRP A 30 -1.761 24.860 -4.907 1.00 0.86 C ATOM 678 NE1 TRP A 30 0.158 25.143 -3.791 1.00 0.98 N ATOM 679 CE2 TRP A 30 -1.187 25.408 -3.747 1.00 0.99 C ATOM 680 CE3 TRP A 30 -3.133 24.993 -5.111 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -1.946 26.083 -2.793 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -3.884 25.658 -4.166 1.00 1.07 C ATOM 683 CH2 TRP A 30 -3.291 26.195 -3.022 1.00 1.18 C ATOM 0 H TRP A 30 -1.129 22.121 -8.926 1.00 0.54 H new ATOM 0 HA TRP A 30 0.036 21.642 -6.469 1.00 0.56 H new ATOM 0 HB2 TRP A 30 -0.007 23.812 -7.605 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -1.752 23.897 -7.465 1.00 0.65 H new ATOM 0 HD1 TRP A 30 1.418 24.100 -5.234 1.00 0.84 H new ATOM 0 HE1 TRP A 30 0.840 25.420 -3.085 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -3.600 24.582 -5.994 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -1.491 26.501 -1.907 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -4.949 25.765 -4.313 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -3.908 26.711 -2.301 1.00 1.18 H new ATOM 694 N ILE A 31 -3.254 21.753 -6.225 1.00 0.60 N ATOM 695 CA ILE A 31 -4.372 21.437 -5.341 1.00 0.63 C ATOM 696 C ILE A 31 -4.319 20.001 -4.832 1.00 0.53 C ATOM 697 O ILE A 31 -4.344 19.765 -3.624 1.00 0.51 O ATOM 698 CB ILE A 31 -5.728 21.709 -6.034 1.00 0.76 C ATOM 699 CG1 ILE A 31 -6.171 23.141 -5.754 1.00 1.05 C ATOM 700 CG2 ILE A 31 -6.797 20.726 -5.571 1.00 0.69 C ATOM 701 CD1 ILE A 31 -6.478 23.382 -4.296 1.00 2.16 C ATOM 0 H ILE A 31 -3.531 22.094 -7.145 1.00 0.60 H new ATOM 0 HA ILE A 31 -4.281 22.096 -4.478 1.00 0.63 H new ATOM 0 HB ILE A 31 -5.596 21.573 -7.107 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -5.388 23.828 -6.074 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -7.056 23.366 -6.349 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -7.737 20.945 -6.077 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -6.485 19.709 -5.810 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -6.935 20.819 -4.494 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -6.788 24.418 -4.156 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -7.281 22.717 -3.978 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -5.587 23.186 -3.699 1.00 2.16 H new ATOM 713 N MET A 32 -4.259 19.044 -5.745 1.00 0.48 N ATOM 714 CA MET A 32 -4.189 17.646 -5.363 1.00 0.43 C ATOM 715 C MET A 32 -2.992 17.377 -4.475 1.00 0.38 C ATOM 716 O MET A 32 -3.092 16.627 -3.511 1.00 0.39 O ATOM 717 CB MET A 32 -4.147 16.732 -6.586 1.00 0.48 C ATOM 718 CG MET A 32 -5.494 16.577 -7.264 1.00 0.55 C ATOM 719 SD MET A 32 -6.831 16.282 -6.088 1.00 0.97 S ATOM 720 CE MET A 32 -6.146 14.927 -5.144 1.00 0.48 C ATOM 0 H MET A 32 -4.257 19.211 -6.751 1.00 0.48 H new ATOM 0 HA MET A 32 -5.096 17.425 -4.800 1.00 0.43 H new ATOM 0 HB2 MET A 32 -3.430 17.130 -7.304 1.00 0.48 H new ATOM 0 HB3 MET A 32 -3.784 15.749 -6.285 1.00 0.48 H new ATOM 0 HG2 MET A 32 -5.713 17.476 -7.840 1.00 0.55 H new ATOM 0 HG3 MET A 32 -5.448 15.749 -7.972 1.00 0.55 H new ATOM 0 HE1 MET A 32 -6.936 14.454 -4.561 1.00 0.48 H new ATOM 0 HE2 MET A 32 -5.708 14.195 -5.823 1.00 0.48 H new ATOM 0 HE3 MET A 32 -5.376 15.305 -4.472 1.00 0.48 H new ATOM 730 N ARG A 33 -1.869 18.008 -4.780 1.00 0.39 N ATOM 731 CA ARG A 33 -0.672 17.827 -3.977 1.00 0.41 C ATOM 732 C ARG A 33 -0.877 18.387 -2.573 1.00 0.45 C ATOM 733 O ARG A 33 -0.261 17.923 -1.622 1.00 0.60 O ATOM 734 CB ARG A 33 0.545 18.470 -4.643 1.00 0.49 C ATOM 735 CG ARG A 33 0.851 17.891 -6.014 1.00 0.90 C ATOM 736 CD ARG A 33 2.198 18.355 -6.541 1.00 0.71 C ATOM 737 NE ARG A 33 2.317 19.809 -6.565 1.00 0.77 N ATOM 738 CZ ARG A 33 2.325 20.543 -7.677 1.00 0.99 C ATOM 739 NH1 ARG A 33 2.112 19.977 -8.860 1.00 1.87 N ATOM 740 NH2 ARG A 33 2.523 21.850 -7.597 1.00 1.03 N ATOM 0 H ARG A 33 -1.762 18.644 -5.570 1.00 0.39 H new ATOM 0 HA ARG A 33 -0.481 16.757 -3.897 1.00 0.41 H new ATOM 0 HB2 ARG A 33 0.375 19.542 -4.738 1.00 0.49 H new ATOM 0 HB3 ARG A 33 1.415 18.341 -3.999 1.00 0.49 H new ATOM 0 HG2 ARG A 33 0.839 16.802 -5.959 1.00 0.90 H new ATOM 0 HG3 ARG A 33 0.068 18.183 -6.714 1.00 0.90 H new ATOM 0 HD2 ARG A 33 2.991 17.939 -5.919 1.00 0.71 H new ATOM 0 HD3 ARG A 33 2.345 17.965 -7.548 1.00 0.71 H new ATOM 0 HE ARG A 33 2.399 20.295 -5.672 1.00 0.77 H new ATOM 0 HH11 ARG A 33 1.941 18.973 -8.922 1.00 1.87 H new ATOM 0 HH12 ARG A 33 2.120 20.546 -9.706 1.00 1.87 H new ATOM 0 HH21 ARG A 33 2.668 22.289 -6.688 1.00 1.03 H new ATOM 0 HH22 ARG A 33 2.530 22.418 -8.445 1.00 1.03 H new ATOM 754 N GLN A 34 -1.767 19.364 -2.439 1.00 0.41 N ATOM 755 CA GLN A 34 -2.067 19.933 -1.130 1.00 0.46 C ATOM 756 C GLN A 34 -2.923 18.970 -0.317 1.00 0.47 C ATOM 757 O GLN A 34 -2.919 19.000 0.911 1.00 0.58 O ATOM 758 CB GLN A 34 -2.788 21.277 -1.257 1.00 0.51 C ATOM 759 CG GLN A 34 -1.985 22.351 -1.976 1.00 0.80 C ATOM 760 CD GLN A 34 -0.569 22.487 -1.449 1.00 1.39 C ATOM 761 OE1 GLN A 34 -0.315 23.226 -0.498 1.00 1.88 O ATOM 762 NE2 GLN A 34 0.367 21.797 -2.084 1.00 1.97 N ATOM 0 H GLN A 34 -2.289 19.776 -3.213 1.00 0.41 H new ATOM 0 HA GLN A 34 -1.119 20.098 -0.618 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -3.727 21.124 -1.789 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -3.042 21.636 -0.260 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -1.950 22.119 -3.040 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -2.497 23.308 -1.876 1.00 0.80 H new ATOM 0 HE21 GLN A 34 0.114 21.196 -2.868 1.00 1.97 H new ATOM 0 HE22 GLN A 34 1.341 21.867 -1.789 1.00 1.97 H new ATOM 771 N VAL A 35 -3.678 18.130 -1.006 1.00 0.42 N ATOM 772 CA VAL A 35 -4.496 17.122 -0.353 1.00 0.42 C ATOM 773 C VAL A 35 -3.681 15.864 -0.068 1.00 0.40 C ATOM 774 O VAL A 35 -3.453 15.506 1.087 1.00 0.44 O ATOM 775 CB VAL A 35 -5.705 16.757 -1.245 1.00 0.45 C ATOM 776 CG1 VAL A 35 -6.483 15.584 -0.675 1.00 0.68 C ATOM 777 CG2 VAL A 35 -6.616 17.962 -1.427 1.00 0.65 C ATOM 0 H VAL A 35 -3.741 18.127 -2.024 1.00 0.42 H new ATOM 0 HA VAL A 35 -4.851 17.535 0.591 1.00 0.42 H new ATOM 0 HB VAL A 35 -5.320 16.458 -2.220 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -7.326 15.355 -1.327 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -5.830 14.714 -0.606 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -6.852 15.840 0.318 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -7.462 17.687 -2.057 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -6.981 18.292 -0.454 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -6.059 18.771 -1.900 1.00 0.65 H new ATOM 787 N ILE A 36 -3.254 15.212 -1.143 1.00 0.38 N ATOM 788 CA ILE A 36 -2.493 13.961 -1.094 1.00 0.39 C ATOM 789 C ILE A 36 -1.324 14.007 -0.096 1.00 0.46 C ATOM 790 O ILE A 36 -1.073 13.037 0.619 1.00 0.51 O ATOM 791 CB ILE A 36 -1.976 13.635 -2.501 1.00 0.42 C ATOM 792 CG1 ILE A 36 -3.147 13.665 -3.488 1.00 0.47 C ATOM 793 CG2 ILE A 36 -1.325 12.274 -2.504 1.00 0.48 C ATOM 794 CD1 ILE A 36 -2.748 13.531 -4.937 1.00 0.51 C ATOM 0 H ILE A 36 -3.428 15.541 -2.093 1.00 0.38 H new ATOM 0 HA ILE A 36 -3.166 13.179 -0.743 1.00 0.39 H new ATOM 0 HB ILE A 36 -1.235 14.376 -2.801 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -3.837 12.859 -3.238 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -3.690 14.601 -3.359 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -0.960 12.048 -3.506 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.490 12.269 -1.803 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -2.054 11.521 -2.205 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -3.639 13.562 -5.564 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -2.084 14.351 -5.209 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -2.233 12.582 -5.086 1.00 0.51 H new ATOM 806 N LYS A 37 -0.625 15.140 -0.031 1.00 0.52 N ATOM 807 CA LYS A 37 0.522 15.284 0.870 1.00 0.67 C ATOM 808 C LYS A 37 0.101 15.396 2.335 1.00 0.66 C ATOM 809 O LYS A 37 0.857 15.024 3.230 1.00 0.79 O ATOM 810 CB LYS A 37 1.345 16.517 0.497 1.00 0.91 C ATOM 811 CG LYS A 37 2.352 16.286 -0.620 1.00 0.75 C ATOM 812 CD LYS A 37 2.793 17.599 -1.257 1.00 0.94 C ATOM 813 CE LYS A 37 3.224 18.622 -0.215 1.00 0.70 C ATOM 814 NZ LYS A 37 4.513 18.262 0.431 1.00 0.97 N ATOM 0 H LYS A 37 -0.830 15.969 -0.588 1.00 0.52 H new ATOM 0 HA LYS A 37 1.122 14.381 0.755 1.00 0.67 H new ATOM 0 HB2 LYS A 37 0.666 17.315 0.198 1.00 0.91 H new ATOM 0 HB3 LYS A 37 1.876 16.866 1.383 1.00 0.91 H new ATOM 0 HG2 LYS A 37 3.222 15.763 -0.224 1.00 0.75 H new ATOM 0 HG3 LYS A 37 1.911 15.642 -1.381 1.00 0.75 H new ATOM 0 HD2 LYS A 37 3.619 17.410 -1.943 1.00 0.94 H new ATOM 0 HD3 LYS A 37 1.974 18.008 -1.849 1.00 0.94 H new ATOM 0 HE2 LYS A 37 3.318 19.600 -0.687 1.00 0.70 H new ATOM 0 HE3 LYS A 37 2.450 18.709 0.548 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 4.765 18.988 1.132 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 4.419 17.341 0.905 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 5.259 18.205 -0.291 1.00 0.97 H new ATOM 828 N LEU A 38 -1.096 15.906 2.584 1.00 0.63 N ATOM 829 CA LEU A 38 -1.527 16.193 3.950 1.00 0.70 C ATOM 830 C LEU A 38 -2.438 15.101 4.493 1.00 0.65 C ATOM 831 O LEU A 38 -2.867 15.152 5.648 1.00 0.91 O ATOM 832 CB LEU A 38 -2.236 17.553 4.031 1.00 0.82 C ATOM 833 CG LEU A 38 -1.320 18.786 4.093 1.00 1.08 C ATOM 834 CD1 LEU A 38 -0.375 18.695 5.281 1.00 2.08 C ATOM 835 CD2 LEU A 38 -0.535 18.956 2.799 1.00 1.61 C ATOM 0 H LEU A 38 -1.784 16.130 1.865 1.00 0.63 H new ATOM 0 HA LEU A 38 -0.629 16.226 4.567 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -2.889 17.653 3.164 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -2.876 17.555 4.913 1.00 0.82 H new ATOM 0 HG LEU A 38 -1.953 19.664 4.220 1.00 1.08 H new ATOM 0 HD11 LEU A 38 0.264 19.578 5.306 1.00 2.08 H new ATOM 0 HD12 LEU A 38 -0.954 18.640 6.203 1.00 2.08 H new ATOM 0 HD13 LEU A 38 0.243 17.802 5.187 1.00 2.08 H new ATOM 0 HD21 LEU A 38 0.103 19.836 2.874 1.00 1.61 H new ATOM 0 HD22 LEU A 38 0.082 18.074 2.629 1.00 1.61 H new ATOM 0 HD23 LEU A 38 -1.228 19.080 1.967 1.00 1.61 H new ATOM 847 N ALA A 39 -2.722 14.109 3.672 1.00 0.52 N ATOM 848 CA ALA A 39 -3.576 13.012 4.077 1.00 0.53 C ATOM 849 C ALA A 39 -2.778 11.952 4.826 1.00 0.60 C ATOM 850 O ALA A 39 -1.871 11.333 4.269 1.00 1.03 O ATOM 851 CB ALA A 39 -4.261 12.404 2.864 1.00 0.55 C ATOM 0 H ALA A 39 -2.372 14.041 2.716 1.00 0.52 H new ATOM 0 HA ALA A 39 -4.339 13.401 4.751 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -4.900 11.580 3.182 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -4.867 13.163 2.370 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -3.508 12.032 2.169 1.00 0.55 H new ATOM 857 N GLY A 40 -3.107 11.770 6.097 1.00 0.43 N ATOM 858 CA GLY A 40 -2.497 10.717 6.880 1.00 0.46 C ATOM 859 C GLY A 40 -3.017 9.363 6.456 1.00 0.46 C ATOM 860 O GLY A 40 -4.177 9.246 6.064 1.00 0.84 O ATOM 0 H GLY A 40 -3.789 12.336 6.601 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -1.414 10.749 6.760 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -2.706 10.877 7.938 1.00 0.46 H new ATOM 864 N VAL A 41 -2.178 8.341 6.527 1.00 0.44 N ATOM 865 CA VAL A 41 -2.570 7.025 6.058 1.00 0.45 C ATOM 866 C VAL A 41 -1.975 5.904 6.908 1.00 0.36 C ATOM 867 O VAL A 41 -0.824 5.963 7.347 1.00 0.41 O ATOM 868 CB VAL A 41 -2.223 6.836 4.559 1.00 0.67 C ATOM 869 CG1 VAL A 41 -0.866 7.412 4.225 1.00 0.95 C ATOM 870 CG2 VAL A 41 -2.289 5.368 4.157 1.00 1.30 C ATOM 0 H VAL A 41 -1.231 8.398 6.901 1.00 0.44 H new ATOM 0 HA VAL A 41 -3.653 6.962 6.165 1.00 0.45 H new ATOM 0 HB VAL A 41 -2.972 7.383 3.986 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -0.657 7.261 3.166 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -0.859 8.479 4.448 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -0.102 6.912 4.820 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -2.041 5.269 3.100 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -1.578 4.795 4.752 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -3.296 4.988 4.330 1.00 1.30 H new ATOM 880 N THR A 42 -2.806 4.904 7.161 1.00 0.31 N ATOM 881 CA THR A 42 -2.432 3.727 7.919 1.00 0.30 C ATOM 882 C THR A 42 -2.691 2.467 7.086 1.00 0.29 C ATOM 883 O THR A 42 -3.697 2.382 6.382 1.00 0.32 O ATOM 884 CB THR A 42 -3.250 3.666 9.223 1.00 0.35 C ATOM 885 OG1 THR A 42 -3.021 4.856 9.991 1.00 0.40 O ATOM 886 CG2 THR A 42 -2.886 2.442 10.048 1.00 0.45 C ATOM 0 H THR A 42 -3.774 4.891 6.839 1.00 0.31 H new ATOM 0 HA THR A 42 -1.371 3.782 8.163 1.00 0.30 H new ATOM 0 HB THR A 42 -4.305 3.593 8.960 1.00 0.35 H new ATOM 0 HG1 THR A 42 -3.543 4.816 10.819 1.00 0.40 H new ATOM 0 HG21 THR A 42 -3.481 2.429 10.961 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.088 1.540 9.470 1.00 0.45 H new ATOM 0 HG23 THR A 42 -1.827 2.478 10.305 1.00 0.45 H new ATOM 894 N LYS A 43 -1.782 1.503 7.155 1.00 0.31 N ATOM 895 CA LYS A 43 -1.923 0.264 6.398 1.00 0.35 C ATOM 896 C LYS A 43 -2.028 -0.930 7.332 1.00 0.33 C ATOM 897 O LYS A 43 -1.276 -1.045 8.296 1.00 0.41 O ATOM 898 CB LYS A 43 -0.752 0.100 5.429 1.00 0.50 C ATOM 899 CG LYS A 43 -0.881 0.977 4.197 1.00 0.77 C ATOM 900 CD LYS A 43 0.380 0.964 3.353 1.00 0.53 C ATOM 901 CE LYS A 43 0.148 1.621 2.001 1.00 0.59 C ATOM 902 NZ LYS A 43 -0.579 2.912 2.114 1.00 0.79 N ATOM 0 H LYS A 43 -0.939 1.554 7.727 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.844 0.315 5.818 1.00 0.35 H new ATOM 0 HB2 LYS A 43 0.177 0.341 5.945 1.00 0.50 H new ATOM 0 HB3 LYS A 43 -0.684 -0.943 5.121 1.00 0.50 H new ATOM 0 HG2 LYS A 43 -1.723 0.635 3.595 1.00 0.77 H new ATOM 0 HG3 LYS A 43 -1.102 2.000 4.502 1.00 0.77 H new ATOM 0 HD2 LYS A 43 1.179 1.486 3.881 1.00 0.53 H new ATOM 0 HD3 LYS A 43 0.712 -0.064 3.208 1.00 0.53 H new ATOM 0 HE2 LYS A 43 1.108 1.790 1.513 1.00 0.59 H new ATOM 0 HE3 LYS A 43 -0.419 0.943 1.363 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 -0.478 3.446 1.227 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 -1.587 2.728 2.295 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 -0.182 3.467 2.899 1.00 0.79 H new ATOM 916 N LYS A 44 -2.969 -1.816 7.044 1.00 0.31 N ATOM 917 CA LYS A 44 -3.286 -2.917 7.945 1.00 0.35 C ATOM 918 C LYS A 44 -3.360 -4.243 7.180 1.00 0.34 C ATOM 919 O LYS A 44 -4.179 -4.396 6.274 1.00 0.47 O ATOM 920 CB LYS A 44 -4.625 -2.638 8.639 1.00 0.44 C ATOM 921 CG LYS A 44 -4.717 -1.239 9.235 1.00 0.90 C ATOM 922 CD LYS A 44 -6.073 -0.965 9.867 1.00 0.88 C ATOM 923 CE LYS A 44 -6.285 -1.784 11.129 1.00 1.39 C ATOM 924 NZ LYS A 44 -7.575 -1.457 11.787 1.00 1.96 N ATOM 0 H LYS A 44 -3.529 -1.795 6.191 1.00 0.31 H new ATOM 0 HA LYS A 44 -2.496 -2.998 8.691 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -5.433 -2.773 7.920 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -4.776 -3.373 9.430 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -3.937 -1.116 9.987 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -4.527 -0.502 8.455 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -6.155 0.096 10.104 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -6.861 -1.193 9.149 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -6.262 -2.845 10.882 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -5.465 -1.600 11.824 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -7.684 -2.036 12.644 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -7.587 -0.450 12.045 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -8.359 -1.656 11.133 1.00 1.96 H new ATOM 938 N PHE A 45 -2.512 -5.191 7.562 1.00 0.29 N ATOM 939 CA PHE A 45 -2.468 -6.501 6.918 1.00 0.29 C ATOM 940 C PHE A 45 -2.926 -7.586 7.879 1.00 0.30 C ATOM 941 O PHE A 45 -2.490 -7.627 9.030 1.00 0.37 O ATOM 942 CB PHE A 45 -1.054 -6.833 6.451 1.00 0.32 C ATOM 943 CG PHE A 45 -0.638 -6.187 5.162 1.00 0.36 C ATOM 944 CD1 PHE A 45 0.002 -4.957 5.157 1.00 0.40 C ATOM 945 CD2 PHE A 45 -0.861 -6.830 3.956 1.00 0.44 C ATOM 946 CE1 PHE A 45 0.411 -4.384 3.971 1.00 0.49 C ATOM 947 CE2 PHE A 45 -0.457 -6.258 2.767 1.00 0.52 C ATOM 948 CZ PHE A 45 0.181 -5.034 2.774 1.00 0.54 C ATOM 0 H PHE A 45 -1.840 -5.076 8.321 1.00 0.29 H new ATOM 0 HA PHE A 45 -3.136 -6.462 6.057 1.00 0.29 H new ATOM 0 HB2 PHE A 45 -0.352 -6.536 7.230 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -0.970 -7.914 6.341 1.00 0.32 H new ATOM 0 HD1 PHE A 45 0.182 -4.443 6.090 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -1.356 -7.790 3.946 1.00 0.44 H new ATOM 0 HE1 PHE A 45 0.911 -3.427 3.978 1.00 0.49 H new ATOM 0 HE2 PHE A 45 -0.640 -6.767 1.832 1.00 0.52 H new ATOM 0 HZ PHE A 45 0.500 -4.585 1.845 1.00 0.54 H new ATOM 958 N ARG A 46 -3.786 -8.473 7.410 1.00 0.31 N ATOM 959 CA ARG A 46 -4.262 -9.575 8.232 1.00 0.33 C ATOM 960 C ARG A 46 -4.731 -10.729 7.361 1.00 0.31 C ATOM 961 O ARG A 46 -4.898 -10.576 6.157 1.00 0.33 O ATOM 962 CB ARG A 46 -5.412 -9.102 9.129 1.00 0.39 C ATOM 963 CG ARG A 46 -6.711 -8.854 8.375 1.00 0.50 C ATOM 964 CD ARG A 46 -7.711 -8.084 9.218 1.00 0.64 C ATOM 965 NE ARG A 46 -7.227 -6.740 9.504 1.00 1.51 N ATOM 966 CZ ARG A 46 -7.879 -5.627 9.185 1.00 2.03 C ATOM 967 NH1 ARG A 46 -9.110 -5.677 8.686 1.00 1.85 N ATOM 968 NH2 ARG A 46 -7.306 -4.455 9.388 1.00 3.17 N ATOM 0 H ARG A 46 -4.170 -8.453 6.465 1.00 0.31 H new ATOM 0 HA ARG A 46 -3.437 -9.921 8.855 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -5.588 -9.848 9.904 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -5.114 -8.183 9.634 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -6.501 -8.298 7.461 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -7.146 -9.808 8.075 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -8.666 -8.027 8.695 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -7.891 -8.616 10.152 1.00 0.64 H new ATOM 0 HE ARG A 46 -6.330 -6.647 9.980 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -9.566 -6.578 8.543 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -9.598 -4.814 8.446 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -6.369 -4.408 9.787 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -7.801 -3.597 9.145 1.00 3.17 H new ATOM 982 N ASN A 47 -4.912 -11.880 7.984 1.00 0.33 N ATOM 983 CA ASN A 47 -5.557 -13.014 7.330 1.00 0.37 C ATOM 984 C ASN A 47 -7.006 -12.648 7.050 1.00 0.39 C ATOM 985 O ASN A 47 -7.567 -11.814 7.760 1.00 0.54 O ATOM 986 CB ASN A 47 -5.479 -14.268 8.205 1.00 0.50 C ATOM 987 CG ASN A 47 -4.057 -14.770 8.375 1.00 0.92 C ATOM 988 OD1 ASN A 47 -3.550 -15.534 7.552 1.00 1.85 O ATOM 989 ND2 ASN A 47 -3.408 -14.356 9.451 1.00 1.44 N ATOM 0 H ASN A 47 -4.622 -12.058 8.945 1.00 0.33 H new ATOM 0 HA ASN A 47 -5.042 -13.236 6.395 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -5.904 -14.050 9.185 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -6.088 -15.055 7.761 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -2.453 -14.670 9.623 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -3.863 -13.723 10.109 1.00 1.44 H new ATOM 996 N ALA A 48 -7.612 -13.252 6.025 1.00 0.36 N ATOM 997 CA ALA A 48 -8.954 -12.867 5.579 1.00 0.41 C ATOM 998 C ALA A 48 -9.925 -12.757 6.737 1.00 0.64 C ATOM 999 O ALA A 48 -9.996 -13.628 7.607 1.00 0.87 O ATOM 1000 CB ALA A 48 -9.477 -13.863 4.557 1.00 0.49 C ATOM 0 H ALA A 48 -7.194 -14.011 5.487 1.00 0.36 H new ATOM 0 HA ALA A 48 -8.873 -11.883 5.118 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -10.475 -13.564 4.235 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -8.809 -13.885 3.696 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -9.523 -14.855 5.006 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.670 -11.663 6.714 1.00 0.83 N ATOM 1007 CA ALA A 49 -11.561 -11.286 7.795 1.00 1.18 C ATOM 1008 C ALA A 49 -12.614 -12.348 8.056 1.00 1.17 C ATOM 1009 O ALA A 49 -12.955 -12.619 9.204 1.00 1.46 O ATOM 1010 CB ALA A 49 -12.223 -9.965 7.467 1.00 1.48 C ATOM 0 H ALA A 49 -10.671 -11.006 5.934 1.00 0.83 H new ATOM 0 HA ALA A 49 -10.967 -11.186 8.703 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -12.892 -9.682 8.279 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -11.460 -9.197 7.341 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -12.794 -10.064 6.544 1.00 1.48 H new ATOM 1016 N SER A 50 -13.136 -12.944 6.992 1.00 1.12 N ATOM 1017 CA SER A 50 -14.128 -14.000 7.115 1.00 1.50 C ATOM 1018 C SER A 50 -13.495 -15.352 7.457 1.00 1.66 C ATOM 1019 O SER A 50 -14.155 -16.388 7.383 1.00 2.19 O ATOM 1020 CB SER A 50 -14.916 -14.100 5.812 1.00 1.77 C ATOM 1021 OG SER A 50 -15.550 -12.867 5.513 1.00 2.37 O ATOM 0 H SER A 50 -12.886 -12.712 6.031 1.00 1.12 H new ATOM 0 HA SER A 50 -14.795 -13.744 7.938 1.00 1.50 H new ATOM 0 HB2 SER A 50 -14.247 -14.378 4.997 1.00 1.77 H new ATOM 0 HB3 SER A 50 -15.664 -14.889 5.893 1.00 1.77 H new ATOM 0 HG SER A 50 -16.049 -12.951 4.673 1.00 2.37 H new ATOM 1027 N GLY A 51 -12.222 -15.333 7.833 1.00 1.42 N ATOM 1028 CA GLY A 51 -11.547 -16.548 8.255 1.00 1.68 C ATOM 1029 C GLY A 51 -11.329 -17.548 7.138 1.00 1.70 C ATOM 1030 O GLY A 51 -11.298 -18.755 7.381 1.00 1.91 O ATOM 0 H GLY A 51 -11.642 -14.494 7.853 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -10.582 -16.284 8.687 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -12.131 -17.021 9.044 1.00 1.68 H new ATOM 1034 N LYS A 52 -11.176 -17.060 5.916 1.00 1.54 N ATOM 1035 CA LYS A 52 -10.897 -17.937 4.786 1.00 1.60 C ATOM 1036 C LYS A 52 -9.401 -18.209 4.692 1.00 1.44 C ATOM 1037 O LYS A 52 -8.607 -17.278 4.559 1.00 1.37 O ATOM 1038 CB LYS A 52 -11.381 -17.320 3.473 1.00 1.62 C ATOM 1039 CG LYS A 52 -12.884 -17.110 3.395 1.00 1.92 C ATOM 1040 CD LYS A 52 -13.285 -16.630 2.014 1.00 1.94 C ATOM 1041 CE LYS A 52 -14.729 -16.173 1.965 1.00 2.59 C ATOM 1042 NZ LYS A 52 -15.056 -15.546 0.658 1.00 3.17 N ATOM 0 H LYS A 52 -11.239 -16.069 5.681 1.00 1.54 H new ATOM 0 HA LYS A 52 -11.433 -18.872 4.950 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -10.884 -16.360 3.332 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -11.073 -17.963 2.648 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -13.399 -18.042 3.626 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -13.194 -16.381 4.144 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -12.635 -15.808 1.714 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -13.135 -17.434 1.294 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -15.388 -17.024 2.137 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -14.914 -15.460 2.769 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -15.875 -14.915 0.771 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -14.239 -14.997 0.322 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -15.284 -16.287 -0.035 1.00 3.17 H new ATOM 1056 N PRO A 53 -8.995 -19.487 4.787 1.00 1.49 N ATOM 1057 CA PRO A 53 -7.589 -19.889 4.667 1.00 1.40 C ATOM 1058 C PRO A 53 -6.954 -19.412 3.371 1.00 1.15 C ATOM 1059 O PRO A 53 -7.613 -19.356 2.330 1.00 1.15 O ATOM 1060 CB PRO A 53 -7.650 -21.416 4.693 1.00 1.68 C ATOM 1061 CG PRO A 53 -8.892 -21.712 5.450 1.00 1.84 C ATOM 1062 CD PRO A 53 -9.869 -20.647 5.044 1.00 1.76 C ATOM 0 HA PRO A 53 -6.979 -19.457 5.460 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -7.688 -21.831 3.686 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -6.774 -21.842 5.181 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -9.271 -22.705 5.210 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -8.712 -21.691 6.525 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -10.434 -20.933 4.157 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -10.594 -20.441 5.831 1.00 1.76 H new ATOM 1070 N ASP A 54 -5.684 -19.026 3.477 1.00 1.04 N ATOM 1071 CA ASP A 54 -4.858 -18.596 2.344 1.00 0.90 C ATOM 1072 C ASP A 54 -5.097 -17.124 2.049 1.00 0.68 C ATOM 1073 O ASP A 54 -4.161 -16.340 1.976 1.00 0.97 O ATOM 1074 CB ASP A 54 -5.093 -19.438 1.077 1.00 1.06 C ATOM 1075 CG ASP A 54 -4.661 -20.882 1.234 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -5.532 -21.780 1.175 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -3.450 -21.133 1.421 1.00 1.60 O ATOM 0 H ASP A 54 -5.188 -19.002 4.368 1.00 1.04 H new ATOM 0 HA ASP A 54 -3.819 -18.748 2.635 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -6.152 -19.408 0.819 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -4.549 -18.991 0.245 1.00 1.06 H new ATOM 1082 N ARG A 55 -6.353 -16.767 1.861 1.00 0.63 N ATOM 1083 CA ARG A 55 -6.731 -15.377 1.606 1.00 0.47 C ATOM 1084 C ARG A 55 -6.470 -14.465 2.803 1.00 0.41 C ATOM 1085 O ARG A 55 -6.462 -14.904 3.958 1.00 0.51 O ATOM 1086 CB ARG A 55 -8.196 -15.293 1.181 1.00 0.64 C ATOM 1087 CG ARG A 55 -8.425 -15.853 -0.208 1.00 1.24 C ATOM 1088 CD ARG A 55 -9.855 -15.669 -0.680 1.00 1.87 C ATOM 1089 NE ARG A 55 -9.997 -16.059 -2.082 1.00 2.57 N ATOM 1090 CZ ARG A 55 -10.887 -15.538 -2.922 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -11.799 -14.679 -2.484 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -10.872 -15.897 -4.197 1.00 4.10 N ATOM 0 H ARG A 55 -7.137 -17.419 1.879 1.00 0.63 H new ATOM 0 HA ARG A 55 -6.098 -15.021 0.793 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -8.811 -15.839 1.896 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -8.521 -14.253 1.209 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -7.749 -15.364 -0.909 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -8.178 -16.915 -0.214 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -10.526 -16.267 -0.063 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -10.152 -14.627 -0.556 1.00 1.87 H new ATOM 0 HE ARG A 55 -9.371 -16.780 -2.440 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -11.820 -14.415 -1.499 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -12.479 -14.282 -3.133 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -10.181 -16.569 -4.529 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -11.552 -15.501 -4.846 1.00 4.10 H new ATOM 1106 N TYR A 56 -6.243 -13.189 2.505 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.946 -12.187 3.518 1.00 0.32 C ATOM 1108 C TYR A 56 -6.857 -10.970 3.351 1.00 0.33 C ATOM 1109 O TYR A 56 -7.683 -10.914 2.437 1.00 0.41 O ATOM 1110 CB TYR A 56 -4.485 -11.731 3.403 1.00 0.34 C ATOM 1111 CG TYR A 56 -3.492 -12.861 3.273 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -2.957 -13.192 2.036 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -3.098 -13.604 4.380 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -2.065 -14.232 1.904 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -2.204 -14.642 4.254 1.00 0.69 C ATOM 1116 CZ TYR A 56 -1.695 -14.952 3.017 1.00 0.77 C ATOM 1117 OH TYR A 56 -0.822 -15.997 2.890 1.00 0.97 O ATOM 0 H TYR A 56 -6.260 -12.823 1.553 1.00 0.35 H new ATOM 0 HA TYR A 56 -6.115 -12.637 4.496 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -4.388 -11.076 2.538 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -4.231 -11.138 4.282 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -3.245 -12.625 1.163 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -3.500 -13.363 5.353 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -1.659 -14.481 0.935 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -1.904 -15.210 5.123 1.00 0.69 H new ATOM 0 HH TYR A 56 -1.252 -16.724 2.393 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.687 -10.007 4.244 1.00 0.32 N ATOM 1128 CA ASP A 57 -7.383 -8.729 4.178 1.00 0.34 C ATOM 1129 C ASP A 57 -6.369 -7.605 4.361 1.00 0.29 C ATOM 1130 O ASP A 57 -5.498 -7.688 5.227 1.00 0.32 O ATOM 1131 CB ASP A 57 -8.472 -8.638 5.255 1.00 0.43 C ATOM 1132 CG ASP A 57 -9.871 -8.891 4.720 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -10.636 -7.914 4.561 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -10.226 -10.065 4.475 1.00 0.99 O ATOM 0 H ASP A 57 -6.057 -10.090 5.042 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.868 -8.638 3.206 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -8.256 -9.360 6.042 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -8.439 -7.649 5.712 1.00 0.43 H new ATOM 1139 N MET A 58 -6.470 -6.568 3.541 1.00 0.27 N ATOM 1140 CA MET A 58 -5.503 -5.465 3.570 1.00 0.26 C ATOM 1141 C MET A 58 -6.214 -4.126 3.427 1.00 0.27 C ATOM 1142 O MET A 58 -7.048 -3.954 2.541 1.00 0.33 O ATOM 1143 CB MET A 58 -4.455 -5.649 2.460 1.00 0.30 C ATOM 1144 CG MET A 58 -3.694 -4.382 2.089 1.00 0.51 C ATOM 1145 SD MET A 58 -2.867 -3.605 3.482 1.00 0.98 S ATOM 1146 CE MET A 58 -2.163 -2.182 2.658 1.00 0.36 C ATOM 0 H MET A 58 -7.209 -6.462 2.846 1.00 0.27 H new ATOM 0 HA MET A 58 -4.991 -5.474 4.532 1.00 0.26 H new ATOM 0 HB2 MET A 58 -3.739 -6.407 2.777 1.00 0.30 H new ATOM 0 HB3 MET A 58 -4.952 -6.032 1.569 1.00 0.30 H new ATOM 0 HG2 MET A 58 -2.954 -4.623 1.326 1.00 0.51 H new ATOM 0 HG3 MET A 58 -4.388 -3.668 1.645 1.00 0.51 H new ATOM 0 HE1 MET A 58 -1.133 -2.043 2.988 1.00 0.36 H new ATOM 0 HE2 MET A 58 -2.180 -2.340 1.580 1.00 0.36 H new ATOM 0 HE3 MET A 58 -2.746 -1.294 2.904 1.00 0.36 H new ATOM 1156 N GLU A 59 -5.885 -3.178 4.288 1.00 0.29 N ATOM 1157 CA GLU A 59 -6.575 -1.899 4.287 1.00 0.32 C ATOM 1158 C GLU A 59 -5.609 -0.727 4.199 1.00 0.31 C ATOM 1159 O GLU A 59 -4.497 -0.775 4.724 1.00 0.31 O ATOM 1160 CB GLU A 59 -7.434 -1.752 5.545 1.00 0.46 C ATOM 1161 CG GLU A 59 -8.409 -2.896 5.758 1.00 1.03 C ATOM 1162 CD GLU A 59 -9.335 -2.650 6.925 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -8.900 -2.807 8.084 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -10.506 -2.303 6.690 1.00 1.11 O ATOM 0 H GLU A 59 -5.151 -3.268 4.991 1.00 0.29 H new ATOM 0 HA GLU A 59 -7.210 -1.883 3.401 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -6.780 -1.678 6.414 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -7.992 -0.818 5.486 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -8.999 -3.041 4.853 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -7.853 -3.818 5.927 1.00 1.03 H new ATOM 1171 N ASN A 60 -6.056 0.325 3.523 1.00 0.36 N ATOM 1172 CA ASN A 60 -5.328 1.584 3.468 1.00 0.42 C ATOM 1173 C ASN A 60 -6.243 2.686 3.961 1.00 0.46 C ATOM 1174 O ASN A 60 -7.137 3.137 3.238 1.00 0.60 O ATOM 1175 CB ASN A 60 -4.847 1.918 2.048 1.00 0.44 C ATOM 1176 CG ASN A 60 -3.948 0.859 1.450 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -2.738 0.887 1.640 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -4.532 -0.067 0.706 1.00 1.02 N ATOM 0 H ASN A 60 -6.931 0.328 2.999 1.00 0.36 H new ATOM 0 HA ASN A 60 -4.442 1.495 4.097 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -5.714 2.054 1.402 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -4.313 2.868 2.068 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -3.971 -0.795 0.264 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -5.543 -0.052 0.574 1.00 1.02 H new ATOM 1185 N LEU A 61 -6.039 3.092 5.197 1.00 0.38 N ATOM 1186 CA LEU A 61 -6.884 4.089 5.832 1.00 0.39 C ATOM 1187 C LEU A 61 -6.258 5.465 5.741 1.00 0.39 C ATOM 1188 O LEU A 61 -5.230 5.721 6.353 1.00 0.50 O ATOM 1189 CB LEU A 61 -7.115 3.717 7.296 1.00 0.42 C ATOM 1190 CG LEU A 61 -8.013 2.502 7.514 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -8.127 2.183 8.995 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -9.386 2.755 6.917 1.00 1.66 C ATOM 0 H LEU A 61 -5.286 2.743 5.790 1.00 0.38 H new ATOM 0 HA LEU A 61 -7.840 4.113 5.310 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -6.149 3.526 7.764 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -7.554 4.573 7.809 1.00 0.42 H new ATOM 0 HG LEU A 61 -7.567 1.643 7.013 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -8.771 1.314 9.132 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -7.137 1.968 9.398 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -8.555 3.038 9.519 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -10.019 1.882 7.078 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -9.837 3.624 7.397 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -9.289 2.941 5.847 1.00 1.66 H new ATOM 1204 N THR A 62 -6.878 6.350 4.978 1.00 0.34 N ATOM 1205 CA THR A 62 -6.380 7.700 4.850 1.00 0.35 C ATOM 1206 C THR A 62 -7.451 8.674 5.308 1.00 0.37 C ATOM 1207 O THR A 62 -8.475 8.262 5.856 1.00 0.43 O ATOM 1208 CB THR A 62 -5.946 8.044 3.404 1.00 0.36 C ATOM 1209 OG1 THR A 62 -7.095 8.283 2.582 1.00 0.34 O ATOM 1210 CG2 THR A 62 -5.128 6.912 2.799 1.00 0.45 C ATOM 0 H THR A 62 -7.723 6.154 4.442 1.00 0.34 H new ATOM 0 HA THR A 62 -5.492 7.782 5.477 1.00 0.35 H new ATOM 0 HB THR A 62 -5.332 8.944 3.446 1.00 0.36 H new ATOM 0 HG1 THR A 62 -7.500 7.427 2.329 1.00 0.34 H new ATOM 0 HG21 THR A 62 -4.835 7.177 1.783 1.00 0.45 H new ATOM 0 HG22 THR A 62 -4.236 6.745 3.402 1.00 0.45 H new ATOM 0 HG23 THR A 62 -5.727 6.001 2.778 1.00 0.45 H new ATOM 1218 N THR A 63 -7.228 9.948 5.079 1.00 0.42 N ATOM 1219 CA THR A 63 -8.161 10.962 5.518 1.00 0.46 C ATOM 1220 C THR A 63 -9.205 11.247 4.444 1.00 0.46 C ATOM 1221 O THR A 63 -10.327 11.654 4.744 1.00 0.54 O ATOM 1222 CB THR A 63 -7.402 12.250 5.865 1.00 0.50 C ATOM 1223 OG1 THR A 63 -6.840 12.827 4.681 1.00 0.52 O ATOM 1224 CG2 THR A 63 -6.284 11.943 6.842 1.00 0.50 C ATOM 0 H THR A 63 -6.408 10.308 4.591 1.00 0.42 H new ATOM 0 HA THR A 63 -8.677 10.593 6.405 1.00 0.46 H new ATOM 0 HB THR A 63 -8.102 12.954 6.315 1.00 0.50 H new ATOM 0 HG1 THR A 63 -6.499 13.723 4.884 1.00 0.52 H new ATOM 0 HG21 THR A 63 -5.750 12.862 7.084 1.00 0.50 H new ATOM 0 HG22 THR A 63 -6.704 11.517 7.753 1.00 0.50 H new ATOM 0 HG23 THR A 63 -5.594 11.229 6.392 1.00 0.50 H new ATOM 1232 N LYS A 64 -8.840 10.996 3.191 1.00 0.46 N ATOM 1233 CA LYS A 64 -9.685 11.365 2.065 1.00 0.50 C ATOM 1234 C LYS A 64 -10.399 10.153 1.475 1.00 0.49 C ATOM 1235 O LYS A 64 -11.460 10.288 0.867 1.00 0.60 O ATOM 1236 CB LYS A 64 -8.846 12.070 0.994 1.00 0.59 C ATOM 1237 CG LYS A 64 -8.180 13.346 1.492 1.00 0.83 C ATOM 1238 CD LYS A 64 -9.198 14.329 2.056 1.00 0.88 C ATOM 1239 CE LYS A 64 -8.531 15.604 2.549 1.00 1.64 C ATOM 1240 NZ LYS A 64 -9.509 16.550 3.142 1.00 2.24 N ATOM 0 H LYS A 64 -7.966 10.539 2.932 1.00 0.46 H new ATOM 0 HA LYS A 64 -10.452 12.049 2.428 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -8.078 11.385 0.634 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -9.483 12.310 0.143 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -7.448 13.098 2.261 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -7.635 13.816 0.673 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -9.931 14.575 1.288 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -9.741 13.861 2.877 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -7.773 15.353 3.291 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -8.016 16.088 1.719 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -9.013 17.405 3.465 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -10.218 16.810 2.427 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -9.983 16.098 3.950 1.00 2.24 H new ATOM 1254 N LYS A 65 -9.825 8.971 1.656 1.00 0.49 N ATOM 1255 CA LYS A 65 -10.441 7.752 1.150 1.00 0.49 C ATOM 1256 C LYS A 65 -9.943 6.535 1.921 1.00 0.52 C ATOM 1257 O LYS A 65 -8.746 6.380 2.154 1.00 1.09 O ATOM 1258 CB LYS A 65 -10.134 7.575 -0.340 1.00 0.73 C ATOM 1259 CG LYS A 65 -10.858 6.400 -0.983 1.00 1.18 C ATOM 1260 CD LYS A 65 -12.340 6.684 -1.158 1.00 1.22 C ATOM 1261 CE LYS A 65 -13.086 5.481 -1.721 1.00 1.36 C ATOM 1262 NZ LYS A 65 -13.072 4.319 -0.789 1.00 1.82 N ATOM 0 H LYS A 65 -8.941 8.831 2.145 1.00 0.49 H new ATOM 0 HA LYS A 65 -11.519 7.839 1.286 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -10.405 8.489 -0.868 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -9.060 7.441 -0.466 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -10.411 6.184 -1.953 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -10.728 5.510 -0.367 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -12.772 6.962 -0.197 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -12.470 7.536 -1.825 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -14.118 5.762 -1.932 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -12.635 5.188 -2.669 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -12.567 3.525 -1.232 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -12.590 4.587 0.093 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -14.049 4.033 -0.576 1.00 1.82 H new ATOM 1276 N ASP A 66 -10.860 5.670 2.311 1.00 0.47 N ATOM 1277 CA ASP A 66 -10.493 4.424 2.961 1.00 0.39 C ATOM 1278 C ASP A 66 -10.688 3.272 1.992 1.00 0.43 C ATOM 1279 O ASP A 66 -11.688 3.212 1.279 1.00 0.66 O ATOM 1280 CB ASP A 66 -11.309 4.193 4.239 1.00 0.57 C ATOM 1281 CG ASP A 66 -12.802 4.108 3.991 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -13.305 2.984 3.780 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -13.479 5.160 4.002 1.00 2.12 O ATOM 0 H ASP A 66 -11.864 5.806 2.190 1.00 0.47 H new ATOM 0 HA ASP A 66 -9.444 4.483 3.251 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -10.974 3.271 4.714 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -11.110 5.003 4.940 1.00 0.57 H new ATOM 1288 N THR A 67 -9.712 2.388 1.931 1.00 0.35 N ATOM 1289 CA THR A 67 -9.804 1.217 1.078 1.00 0.32 C ATOM 1290 C THR A 67 -9.807 -0.036 1.936 1.00 0.26 C ATOM 1291 O THR A 67 -9.237 -0.044 3.032 1.00 0.30 O ATOM 1292 CB THR A 67 -8.635 1.146 0.073 1.00 0.38 C ATOM 1293 OG1 THR A 67 -7.400 0.984 0.777 1.00 0.38 O ATOM 1294 CG2 THR A 67 -8.564 2.408 -0.776 1.00 0.56 C ATOM 0 H THR A 67 -8.844 2.457 2.462 1.00 0.35 H new ATOM 0 HA THR A 67 -10.732 1.290 0.510 1.00 0.32 H new ATOM 0 HB THR A 67 -8.806 0.293 -0.583 1.00 0.38 H new ATOM 0 HG1 THR A 67 -7.342 0.072 1.131 1.00 0.38 H new ATOM 0 HG21 THR A 67 -7.731 2.330 -1.475 1.00 0.56 H new ATOM 0 HG22 THR A 67 -9.494 2.525 -1.332 1.00 0.56 H new ATOM 0 HG23 THR A 67 -8.416 3.273 -0.130 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.439 -1.089 1.452 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.503 -2.334 2.194 1.00 0.23 C ATOM 1304 C HIS A 68 -10.458 -3.507 1.228 1.00 0.22 C ATOM 1305 O HIS A 68 -11.479 -3.906 0.668 1.00 0.27 O ATOM 1306 CB HIS A 68 -11.775 -2.392 3.054 1.00 0.32 C ATOM 1307 CG HIS A 68 -11.846 -3.583 3.973 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -12.802 -3.721 4.954 1.00 1.05 N ATOM 1309 CD2 HIS A 68 -11.086 -4.703 4.038 1.00 1.43 C ATOM 1310 CE1 HIS A 68 -12.630 -4.872 5.577 1.00 1.69 C ATOM 1311 NE2 HIS A 68 -11.593 -5.488 5.039 1.00 1.95 N ATOM 0 H HIS A 68 -10.915 -1.107 0.550 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.644 -2.390 2.863 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -11.838 -1.482 3.651 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -12.644 -2.402 2.396 1.00 0.32 H new ATOM 0 HD2 HIS A 68 -10.235 -4.934 3.414 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -13.235 -5.247 6.389 1.00 1.69 H new ATOM 0 HE2 HIS A 68 -11.230 -6.398 5.322 1.00 1.95 H new ATOM 1320 N HIS A 69 -9.267 -4.053 1.047 1.00 0.23 N ATOM 1321 CA HIS A 69 -9.072 -5.206 0.185 1.00 0.26 C ATOM 1322 C HIS A 69 -9.652 -6.435 0.861 1.00 0.29 C ATOM 1323 O HIS A 69 -8.962 -7.126 1.611 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.586 -5.427 -0.110 1.00 0.32 C ATOM 1325 CG HIS A 69 -6.896 -4.252 -0.733 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.553 -3.265 -1.428 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -5.589 -3.920 -0.765 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -6.678 -2.378 -1.864 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -5.472 -2.751 -1.477 1.00 0.39 N ATOM 0 H HIS A 69 -8.414 -3.712 1.490 1.00 0.23 H new ATOM 0 HA HIS A 69 -9.581 -5.026 -0.762 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -7.077 -5.680 0.820 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -7.484 -6.286 -0.773 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -4.780 -4.474 -0.312 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -6.910 -1.495 -2.441 1.00 0.37 H new ATOM 0 HE2 HIS A 69 -4.602 -2.256 -1.673 1.00 0.39 H new ATOM 1338 N LYS A 70 -10.931 -6.658 0.623 1.00 0.31 N ATOM 1339 CA LYS A 70 -11.654 -7.751 1.247 1.00 0.37 C ATOM 1340 C LYS A 70 -11.355 -9.090 0.595 1.00 0.31 C ATOM 1341 O LYS A 70 -11.621 -9.275 -0.595 1.00 0.33 O ATOM 1342 CB LYS A 70 -13.146 -7.485 1.168 1.00 0.49 C ATOM 1343 CG LYS A 70 -13.568 -6.346 2.050 1.00 1.01 C ATOM 1344 CD LYS A 70 -14.977 -5.907 1.753 1.00 1.00 C ATOM 1345 CE LYS A 70 -15.294 -4.676 2.553 1.00 1.43 C ATOM 1346 NZ LYS A 70 -16.503 -3.975 2.052 1.00 2.30 N ATOM 0 H LYS A 70 -11.497 -6.089 -0.006 1.00 0.31 H new ATOM 0 HA LYS A 70 -11.326 -7.804 2.285 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -13.419 -7.264 0.136 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -13.689 -8.385 1.456 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -13.493 -6.647 3.095 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -12.888 -5.506 1.911 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -15.089 -5.701 0.688 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -15.678 -6.705 1.999 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -15.443 -4.952 3.597 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -14.443 -3.996 2.522 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -16.682 -3.132 2.635 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -16.353 -3.687 1.064 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -17.322 -4.614 2.106 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.784 -10.001 1.375 1.00 0.33 N ATOM 1361 CA ASP A 71 -10.709 -11.409 0.997 1.00 0.37 C ATOM 1362 C ASP A 71 -9.901 -11.605 -0.284 1.00 0.33 C ATOM 1363 O ASP A 71 -10.409 -12.115 -1.288 1.00 0.42 O ATOM 1364 CB ASP A 71 -12.131 -11.951 0.816 1.00 0.51 C ATOM 1365 CG ASP A 71 -12.210 -13.450 0.958 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -11.850 -13.973 2.037 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -12.613 -14.112 -0.018 1.00 2.07 O ATOM 0 H ASP A 71 -10.363 -9.788 2.279 1.00 0.33 H new ATOM 0 HA ASP A 71 -10.198 -11.957 1.789 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -12.788 -11.486 1.551 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -12.501 -11.664 -0.168 1.00 0.51 H new ATOM 1372 N TRP A 72 -8.641 -11.203 -0.252 1.00 0.29 N ATOM 1373 CA TRP A 72 -7.780 -11.305 -1.421 1.00 0.30 C ATOM 1374 C TRP A 72 -6.744 -12.402 -1.226 1.00 0.31 C ATOM 1375 O TRP A 72 -6.284 -12.640 -0.113 1.00 0.29 O ATOM 1376 CB TRP A 72 -7.081 -9.968 -1.700 1.00 0.30 C ATOM 1377 CG TRP A 72 -6.155 -9.517 -0.606 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.475 -8.737 0.466 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.757 -9.812 -0.482 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.364 -8.535 1.249 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -4.299 -9.185 0.688 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.844 -10.546 -1.241 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -2.974 -9.274 1.108 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.534 -10.624 -0.808 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -2.118 -9.994 0.351 1.00 0.43 C ATOM 0 H TRP A 72 -8.191 -10.803 0.571 1.00 0.29 H new ATOM 0 HA TRP A 72 -8.404 -11.557 -2.279 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -6.515 -10.053 -2.628 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -7.839 -9.201 -1.859 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.457 -8.337 0.670 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.338 -7.988 2.110 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -4.155 -11.043 -2.148 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.642 -8.783 2.011 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.819 -11.189 -1.387 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -1.086 -10.080 0.657 1.00 0.43 H new ATOM 1396 N ALA A 73 -6.391 -13.083 -2.300 1.00 0.41 N ATOM 1397 CA ALA A 73 -5.358 -14.102 -2.242 1.00 0.50 C ATOM 1398 C ALA A 73 -4.083 -13.593 -2.894 1.00 0.48 C ATOM 1399 O ALA A 73 -4.134 -12.829 -3.854 1.00 0.42 O ATOM 1400 CB ALA A 73 -5.832 -15.356 -2.951 1.00 0.55 C ATOM 0 H ALA A 73 -6.804 -12.950 -3.223 1.00 0.41 H new ATOM 0 HA ALA A 73 -5.152 -14.336 -1.198 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -5.053 -16.117 -2.904 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -6.734 -15.730 -2.466 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -6.051 -15.124 -3.993 1.00 0.55 H new ATOM 1406 N LEU A 74 -2.941 -13.970 -2.345 1.00 0.60 N ATOM 1407 CA LEU A 74 -1.670 -13.687 -2.983 1.00 0.67 C ATOM 1408 C LEU A 74 -1.632 -14.343 -4.364 1.00 0.57 C ATOM 1409 O LEU A 74 -1.760 -15.563 -4.490 1.00 0.56 O ATOM 1410 CB LEU A 74 -0.529 -14.189 -2.092 1.00 0.95 C ATOM 1411 CG LEU A 74 0.833 -13.524 -2.307 1.00 0.68 C ATOM 1412 CD1 LEU A 74 1.753 -13.838 -1.141 1.00 1.28 C ATOM 1413 CD2 LEU A 74 1.461 -13.982 -3.611 1.00 1.71 C ATOM 0 H LEU A 74 -2.869 -14.472 -1.460 1.00 0.60 H new ATOM 0 HA LEU A 74 -1.549 -12.612 -3.117 1.00 0.67 H new ATOM 0 HB2 LEU A 74 -0.819 -14.049 -1.051 1.00 0.95 H new ATOM 0 HB3 LEU A 74 -0.416 -15.262 -2.250 1.00 0.95 H new ATOM 0 HG LEU A 74 0.684 -12.446 -2.364 1.00 0.68 H new ATOM 0 HD11 LEU A 74 2.720 -13.361 -1.302 1.00 1.28 H new ATOM 0 HD12 LEU A 74 1.312 -13.462 -0.218 1.00 1.28 H new ATOM 0 HD13 LEU A 74 1.889 -14.917 -1.065 1.00 1.28 H new ATOM 0 HD21 LEU A 74 2.428 -13.495 -3.740 1.00 1.71 H new ATOM 0 HD22 LEU A 74 1.599 -15.063 -3.588 1.00 1.71 H new ATOM 0 HD23 LEU A 74 0.808 -13.717 -4.442 1.00 1.71 H new ATOM 1425 N GLY A 75 -1.448 -13.522 -5.389 1.00 0.58 N ATOM 1426 CA GLY A 75 -1.528 -13.995 -6.757 1.00 0.56 C ATOM 1427 C GLY A 75 -2.897 -13.762 -7.367 1.00 0.51 C ATOM 1428 O GLY A 75 -3.199 -14.268 -8.451 1.00 0.59 O ATOM 0 H GLY A 75 -1.243 -12.527 -5.296 1.00 0.58 H new ATOM 0 HA2 GLY A 75 -0.773 -13.489 -7.359 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -1.296 -15.060 -6.785 1.00 0.56 H new ATOM 1432 N GLU A 76 -3.725 -12.987 -6.681 1.00 0.42 N ATOM 1433 CA GLU A 76 -5.083 -12.723 -7.136 1.00 0.40 C ATOM 1434 C GLU A 76 -5.241 -11.281 -7.595 1.00 0.36 C ATOM 1435 O GLU A 76 -4.454 -10.404 -7.232 1.00 0.47 O ATOM 1436 CB GLU A 76 -6.102 -13.048 -6.041 1.00 0.44 C ATOM 1437 CG GLU A 76 -6.654 -14.460 -6.123 1.00 0.92 C ATOM 1438 CD GLU A 76 -7.462 -14.697 -7.378 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -8.673 -14.403 -7.370 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -6.895 -15.184 -8.376 1.00 1.59 O ATOM 0 H GLU A 76 -3.479 -12.528 -5.804 1.00 0.42 H new ATOM 0 HA GLU A 76 -5.274 -13.374 -7.989 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -5.634 -12.906 -5.067 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -6.928 -12.340 -6.104 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -5.829 -15.171 -6.087 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -7.279 -14.653 -5.251 1.00 0.92 H new ATOM 1447 N GLU A 77 -6.275 -11.060 -8.389 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.539 -9.772 -9.002 1.00 0.43 C ATOM 1449 C GLU A 77 -8.003 -9.411 -8.776 1.00 0.44 C ATOM 1450 O GLU A 77 -8.906 -10.041 -9.335 1.00 0.54 O ATOM 1451 CB GLU A 77 -6.218 -9.874 -10.494 1.00 0.53 C ATOM 1452 CG GLU A 77 -6.291 -8.567 -11.250 1.00 0.74 C ATOM 1453 CD GLU A 77 -5.693 -8.691 -12.634 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -4.456 -8.585 -12.771 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -6.463 -8.876 -13.602 1.00 0.90 O ATOM 0 H GLU A 77 -6.960 -11.777 -8.628 1.00 0.39 H new ATOM 0 HA GLU A 77 -5.920 -8.990 -8.561 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -5.216 -10.288 -10.608 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -6.909 -10.581 -10.952 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -7.331 -8.249 -11.329 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -5.763 -7.793 -10.693 1.00 0.74 H new ATOM 1462 N PHE A 78 -8.235 -8.416 -7.941 1.00 0.39 N ATOM 1463 CA PHE A 78 -9.577 -8.090 -7.481 1.00 0.41 C ATOM 1464 C PHE A 78 -9.856 -6.607 -7.647 1.00 0.42 C ATOM 1465 O PHE A 78 -8.933 -5.814 -7.787 1.00 0.42 O ATOM 1466 CB PHE A 78 -9.712 -8.476 -6.005 1.00 0.44 C ATOM 1467 CG PHE A 78 -8.712 -7.793 -5.114 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -7.446 -8.326 -4.936 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -9.038 -6.615 -4.461 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -6.523 -7.694 -4.126 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -8.120 -5.981 -3.650 1.00 0.57 C ATOM 1472 CZ PHE A 78 -6.861 -6.522 -3.482 1.00 0.52 C ATOM 0 H PHE A 78 -7.505 -7.812 -7.563 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.299 -8.646 -8.079 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -10.718 -8.231 -5.664 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -9.596 -9.555 -5.908 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -7.178 -9.245 -5.436 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -10.022 -6.189 -4.589 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -5.538 -8.117 -3.997 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -8.386 -5.063 -3.147 1.00 0.57 H new ATOM 0 HZ PHE A 78 -6.141 -6.028 -2.847 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.122 -6.231 -7.640 1.00 0.46 N ATOM 1483 CA GLN A 79 -11.479 -4.822 -7.678 1.00 0.51 C ATOM 1484 C GLN A 79 -11.662 -4.276 -6.274 1.00 0.50 C ATOM 1485 O GLN A 79 -12.011 -5.005 -5.342 1.00 0.54 O ATOM 1486 CB GLN A 79 -12.733 -4.586 -8.515 1.00 0.62 C ATOM 1487 CG GLN A 79 -12.465 -4.664 -10.006 1.00 1.00 C ATOM 1488 CD GLN A 79 -13.698 -4.397 -10.840 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -13.986 -3.253 -11.192 1.00 1.95 O ATOM 1490 NE2 GLN A 79 -14.432 -5.445 -11.173 1.00 1.94 N ATOM 0 H GLN A 79 -11.914 -6.873 -7.609 1.00 0.46 H new ATOM 0 HA GLN A 79 -10.657 -4.286 -8.153 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -13.488 -5.325 -8.247 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -13.146 -3.606 -8.275 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -11.691 -3.943 -10.269 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -12.075 -5.653 -10.249 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -14.160 -6.378 -10.862 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -15.270 -5.321 -11.741 1.00 1.94 H new ATOM 1499 N ASP A 80 -11.436 -2.982 -6.136 1.00 0.49 N ATOM 1500 CA ASP A 80 -11.446 -2.335 -4.829 1.00 0.49 C ATOM 1501 C ASP A 80 -11.780 -0.860 -4.970 1.00 0.52 C ATOM 1502 O ASP A 80 -11.510 -0.261 -6.014 1.00 0.63 O ATOM 1503 CB ASP A 80 -10.076 -2.481 -4.169 1.00 0.63 C ATOM 1504 CG ASP A 80 -10.113 -2.244 -2.674 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -10.170 -3.242 -1.925 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -10.046 -1.081 -2.240 1.00 1.26 O ATOM 0 H ASP A 80 -11.242 -2.353 -6.915 1.00 0.49 H new ATOM 0 HA ASP A 80 -12.205 -2.814 -4.211 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -9.690 -3.481 -4.364 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -9.381 -1.776 -4.626 1.00 0.63 H new ATOM 1511 N GLU A 81 -12.339 -0.274 -3.916 1.00 0.53 N ATOM 1512 CA GLU A 81 -12.690 1.140 -3.908 1.00 0.65 C ATOM 1513 C GLU A 81 -11.490 1.945 -3.435 1.00 0.63 C ATOM 1514 O GLU A 81 -11.347 2.270 -2.253 1.00 0.82 O ATOM 1515 CB GLU A 81 -13.914 1.389 -3.023 1.00 0.81 C ATOM 1516 CG GLU A 81 -13.830 0.730 -1.652 1.00 1.64 C ATOM 1517 CD GLU A 81 -14.976 1.120 -0.747 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -15.916 0.311 -0.583 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -14.945 2.241 -0.197 1.00 1.81 O ATOM 0 H GLU A 81 -12.560 -0.763 -3.049 1.00 0.53 H new ATOM 0 HA GLU A 81 -12.953 1.458 -4.917 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -14.042 2.463 -2.891 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -14.802 1.023 -3.537 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -13.821 -0.353 -1.774 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -12.888 1.005 -1.178 1.00 1.64 H new ATOM 1526 N ALA A 82 -10.653 2.288 -4.392 1.00 0.61 N ATOM 1527 CA ALA A 82 -9.297 2.701 -4.116 1.00 0.67 C ATOM 1528 C ALA A 82 -9.187 4.143 -3.628 1.00 0.60 C ATOM 1529 O ALA A 82 -10.169 4.886 -3.632 1.00 0.59 O ATOM 1530 CB ALA A 82 -8.464 2.469 -5.354 1.00 0.95 C ATOM 0 H ALA A 82 -10.896 2.288 -5.383 1.00 0.61 H new ATOM 0 HA ALA A 82 -8.920 2.097 -3.290 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -7.436 2.776 -5.163 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -8.485 1.411 -5.613 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -8.870 3.053 -6.180 1.00 0.95 H new ATOM 1536 N LEU A 83 -7.981 4.520 -3.195 1.00 0.60 N ATOM 1537 CA LEU A 83 -7.714 5.859 -2.661 1.00 0.58 C ATOM 1538 C LEU A 83 -8.124 6.940 -3.650 1.00 0.59 C ATOM 1539 O LEU A 83 -8.544 8.031 -3.266 1.00 0.62 O ATOM 1540 CB LEU A 83 -6.226 6.009 -2.328 1.00 0.66 C ATOM 1541 CG LEU A 83 -5.685 5.026 -1.288 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -4.189 5.215 -1.103 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -6.409 5.202 0.036 1.00 1.34 C ATOM 0 H LEU A 83 -7.165 3.908 -3.204 1.00 0.60 H new ATOM 0 HA LEU A 83 -8.306 5.978 -1.753 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -5.652 5.892 -3.247 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -6.052 7.024 -1.970 1.00 0.66 H new ATOM 0 HG LEU A 83 -5.862 4.013 -1.648 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -3.822 4.507 -0.360 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -3.680 5.042 -2.051 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -3.990 6.232 -0.765 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -6.012 4.495 0.765 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -6.261 6.219 0.399 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -7.474 5.018 -0.105 1.00 1.34 H new ATOM 1555 N ASP A 84 -8.029 6.610 -4.927 1.00 0.60 N ATOM 1556 CA ASP A 84 -8.345 7.551 -5.998 1.00 0.67 C ATOM 1557 C ASP A 84 -9.855 7.716 -6.187 1.00 0.69 C ATOM 1558 O ASP A 84 -10.315 8.129 -7.255 1.00 0.78 O ATOM 1559 CB ASP A 84 -7.676 7.116 -7.306 1.00 0.70 C ATOM 1560 CG ASP A 84 -8.021 5.699 -7.707 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -7.417 4.755 -7.155 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -8.909 5.519 -8.572 1.00 1.39 O ATOM 0 H ASP A 84 -7.733 5.690 -5.253 1.00 0.60 H new ATOM 0 HA ASP A 84 -7.949 8.525 -5.709 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -7.975 7.796 -8.104 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -6.595 7.204 -7.201 1.00 0.70 H new ATOM 1567 N SER A 85 -10.611 7.372 -5.139 1.00 0.67 N ATOM 1568 CA SER A 85 -12.052 7.632 -5.049 1.00 0.74 C ATOM 1569 C SER A 85 -12.860 6.637 -5.877 1.00 0.77 C ATOM 1570 O SER A 85 -13.857 6.092 -5.402 1.00 1.09 O ATOM 1571 CB SER A 85 -12.370 9.073 -5.458 1.00 0.84 C ATOM 1572 OG SER A 85 -11.563 9.991 -4.731 1.00 1.21 O ATOM 0 H SER A 85 -10.234 6.899 -4.318 1.00 0.67 H new ATOM 0 HA SER A 85 -12.345 7.498 -4.008 1.00 0.74 H new ATOM 0 HB2 SER A 85 -12.200 9.199 -6.527 1.00 0.84 H new ATOM 0 HB3 SER A 85 -13.424 9.284 -5.276 1.00 0.84 H new ATOM 0 HG SER A 85 -11.779 10.906 -5.007 1.00 1.21 H new ATOM 1578 N THR A 86 -12.433 6.399 -7.102 1.00 0.67 N ATOM 1579 CA THR A 86 -13.071 5.416 -7.952 1.00 0.67 C ATOM 1580 C THR A 86 -12.624 4.011 -7.566 1.00 0.66 C ATOM 1581 O THR A 86 -11.629 3.838 -6.852 1.00 0.76 O ATOM 1582 CB THR A 86 -12.745 5.684 -9.433 1.00 0.76 C ATOM 1583 OG1 THR A 86 -11.371 6.077 -9.578 1.00 0.86 O ATOM 1584 CG2 THR A 86 -13.645 6.772 -9.996 1.00 0.93 C ATOM 0 H THR A 86 -11.641 6.877 -7.532 1.00 0.67 H new ATOM 0 HA THR A 86 -14.149 5.494 -7.814 1.00 0.67 H new ATOM 0 HB THR A 86 -12.918 4.762 -9.988 1.00 0.76 H new ATOM 0 HG1 THR A 86 -10.818 5.572 -8.946 1.00 0.86 H new ATOM 0 HG21 THR A 86 -13.396 6.944 -11.043 1.00 0.93 H new ATOM 0 HG22 THR A 86 -14.686 6.460 -9.917 1.00 0.93 H new ATOM 0 HG23 THR A 86 -13.498 7.693 -9.432 1.00 0.93 H new ATOM 1592 N GLN A 87 -13.344 3.004 -8.025 1.00 0.68 N ATOM 1593 CA GLN A 87 -12.957 1.647 -7.739 1.00 0.76 C ATOM 1594 C GLN A 87 -12.473 0.985 -9.009 1.00 0.66 C ATOM 1595 O GLN A 87 -13.011 1.224 -10.091 1.00 0.89 O ATOM 1596 CB GLN A 87 -14.104 0.858 -7.125 1.00 1.02 C ATOM 1597 CG GLN A 87 -15.280 0.616 -8.057 1.00 0.98 C ATOM 1598 CD GLN A 87 -16.437 -0.048 -7.344 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -17.597 0.119 -7.720 1.00 1.88 O ATOM 1600 NE2 GLN A 87 -16.131 -0.800 -6.302 1.00 1.33 N ATOM 0 H GLN A 87 -14.188 3.103 -8.589 1.00 0.68 H new ATOM 0 HA GLN A 87 -12.149 1.663 -7.008 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -13.723 -0.105 -6.785 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -14.461 1.389 -6.243 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -15.610 1.565 -8.479 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -14.960 -0.009 -8.890 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -15.156 -0.913 -6.023 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -16.869 -1.268 -5.776 1.00 1.33 H new ATOM 1609 N HIS A 88 -11.448 0.170 -8.886 1.00 0.54 N ATOM 1610 CA HIS A 88 -10.830 -0.428 -10.050 1.00 0.53 C ATOM 1611 C HIS A 88 -10.083 -1.701 -9.702 1.00 0.49 C ATOM 1612 O HIS A 88 -10.093 -2.144 -8.555 1.00 0.51 O ATOM 1613 CB HIS A 88 -9.887 0.560 -10.729 1.00 0.63 C ATOM 1614 CG HIS A 88 -8.913 1.218 -9.807 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -7.816 0.573 -9.276 1.00 0.75 N ATOM 1616 CD2 HIS A 88 -8.884 2.478 -9.319 1.00 1.04 C ATOM 1617 CE1 HIS A 88 -7.160 1.410 -8.496 1.00 0.73 C ATOM 1618 NE2 HIS A 88 -7.786 2.570 -8.510 1.00 0.97 N ATOM 0 H HIS A 88 -11.026 -0.093 -7.995 1.00 0.54 H new ATOM 0 HA HIS A 88 -11.632 -0.688 -10.741 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -9.334 0.038 -11.509 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -10.481 1.331 -11.221 1.00 0.63 H new ATOM 0 HD2 HIS A 88 -9.594 3.264 -9.529 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -6.262 1.183 -7.940 1.00 0.73 H new ATOM 0 HE2 HIS A 88 -7.497 3.404 -7.998 1.00 0.97 H new ATOM 1627 N LYS A 89 -9.427 -2.257 -10.704 1.00 0.49 N ATOM 1628 CA LYS A 89 -8.706 -3.508 -10.577 1.00 0.49 C ATOM 1629 C LYS A 89 -7.420 -3.321 -9.774 1.00 0.45 C ATOM 1630 O LYS A 89 -6.766 -2.276 -9.852 1.00 0.50 O ATOM 1631 CB LYS A 89 -8.400 -4.036 -11.980 1.00 0.61 C ATOM 1632 CG LYS A 89 -7.683 -5.371 -12.013 1.00 1.06 C ATOM 1633 CD LYS A 89 -7.533 -5.880 -13.440 1.00 1.08 C ATOM 1634 CE LYS A 89 -6.744 -4.914 -14.310 1.00 1.15 C ATOM 1635 NZ LYS A 89 -6.594 -5.411 -15.702 1.00 1.49 N ATOM 0 H LYS A 89 -9.380 -1.848 -11.637 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.319 -4.230 -10.037 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -9.336 -4.128 -12.531 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -7.792 -3.300 -12.506 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -6.699 -5.270 -11.555 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -8.237 -6.099 -11.421 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -7.033 -6.849 -13.429 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -8.520 -6.036 -13.875 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -7.245 -3.946 -14.323 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -5.758 -4.756 -13.873 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -6.050 -4.722 -16.260 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -6.093 -6.322 -15.693 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -7.534 -5.537 -16.129 1.00 1.49 H new ATOM 1649 N ILE A 90 -7.101 -4.320 -8.972 1.00 0.38 N ATOM 1650 CA ILE A 90 -5.891 -4.341 -8.174 1.00 0.35 C ATOM 1651 C ILE A 90 -5.364 -5.768 -8.060 1.00 0.34 C ATOM 1652 O ILE A 90 -6.107 -6.686 -7.712 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.146 -3.785 -6.757 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -6.374 -2.274 -6.805 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -4.987 -4.128 -5.839 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -6.720 -1.670 -5.467 1.00 0.54 C ATOM 0 H ILE A 90 -7.683 -5.150 -8.856 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.155 -3.710 -8.672 1.00 0.35 H new ATOM 0 HB ILE A 90 -7.048 -4.250 -6.358 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -5.475 -1.792 -7.190 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -7.178 -2.059 -7.509 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.181 -3.729 -4.843 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -4.877 -5.211 -5.781 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.069 -3.690 -6.232 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -6.867 -0.596 -5.580 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -7.636 -2.124 -5.089 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -5.907 -1.853 -4.764 1.00 0.54 H new ATOM 1668 N THR A 91 -4.093 -5.955 -8.361 1.00 0.30 N ATOM 1669 CA THR A 91 -3.479 -7.261 -8.248 1.00 0.30 C ATOM 1670 C THR A 91 -2.493 -7.297 -7.084 1.00 0.28 C ATOM 1671 O THR A 91 -1.757 -6.334 -6.848 1.00 0.31 O ATOM 1672 CB THR A 91 -2.741 -7.630 -9.544 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.489 -7.169 -10.678 1.00 0.43 O ATOM 1674 CG2 THR A 91 -2.537 -9.133 -9.638 1.00 0.37 C ATOM 0 H THR A 91 -3.467 -5.218 -8.686 1.00 0.30 H new ATOM 0 HA THR A 91 -4.275 -7.984 -8.068 1.00 0.30 H new ATOM 0 HB THR A 91 -1.763 -7.148 -9.534 1.00 0.33 H new ATOM 0 HG1 THR A 91 -3.679 -7.924 -11.273 1.00 0.43 H new ATOM 0 HG21 THR A 91 -2.013 -9.372 -10.563 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.946 -9.474 -8.788 1.00 0.37 H new ATOM 0 HG23 THR A 91 -3.506 -9.633 -9.631 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.490 -8.404 -6.357 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.532 -8.621 -5.281 1.00 0.33 C ATOM 1684 C PHE A 92 -0.657 -9.813 -5.610 1.00 0.39 C ATOM 1685 O PHE A 92 -1.161 -10.889 -5.922 1.00 0.50 O ATOM 1686 CB PHE A 92 -2.238 -8.856 -3.946 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.381 -7.618 -3.108 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -3.320 -6.657 -3.422 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.574 -7.426 -1.997 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -3.454 -5.526 -2.646 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -1.702 -6.294 -1.217 1.00 0.46 C ATOM 1692 CZ PHE A 92 -2.644 -5.344 -1.542 1.00 0.52 C ATOM 0 H PHE A 92 -3.146 -9.173 -6.494 1.00 0.30 H new ATOM 0 HA PHE A 92 -0.919 -7.725 -5.188 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -3.228 -9.270 -4.137 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -1.684 -9.604 -3.380 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -3.956 -6.792 -4.284 1.00 0.49 H new ATOM 0 HD2 PHE A 92 -0.836 -8.171 -1.739 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -4.193 -4.781 -2.901 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -1.066 -6.154 -0.356 1.00 0.46 H new ATOM 0 HZ PHE A 92 -2.750 -4.457 -0.934 1.00 0.52 H new ATOM 1702 N ASP A 93 0.649 -9.627 -5.532 1.00 0.37 N ATOM 1703 CA ASP A 93 1.591 -10.675 -5.897 1.00 0.43 C ATOM 1704 C ASP A 93 2.947 -10.398 -5.265 1.00 0.36 C ATOM 1705 O ASP A 93 3.290 -9.248 -5.011 1.00 0.39 O ATOM 1706 CB ASP A 93 1.719 -10.758 -7.422 1.00 0.58 C ATOM 1707 CG ASP A 93 2.728 -11.795 -7.880 1.00 0.80 C ATOM 1708 OD1 ASP A 93 3.642 -11.439 -8.657 1.00 1.69 O ATOM 1709 OD2 ASP A 93 2.612 -12.967 -7.474 1.00 1.24 O ATOM 0 H ASP A 93 1.084 -8.759 -5.219 1.00 0.37 H new ATOM 0 HA ASP A 93 1.222 -11.631 -5.526 1.00 0.43 H new ATOM 0 HB2 ASP A 93 0.745 -10.994 -7.850 1.00 0.58 H new ATOM 0 HB3 ASP A 93 2.009 -9.782 -7.810 1.00 0.58 H new ATOM 1714 N LEU A 94 3.701 -11.449 -5.002 1.00 0.42 N ATOM 1715 CA LEU A 94 5.024 -11.312 -4.407 1.00 0.51 C ATOM 1716 C LEU A 94 6.087 -11.350 -5.496 1.00 0.56 C ATOM 1717 O LEU A 94 6.195 -12.325 -6.244 1.00 0.63 O ATOM 1718 CB LEU A 94 5.265 -12.425 -3.377 1.00 0.61 C ATOM 1719 CG LEU A 94 5.138 -12.014 -1.900 1.00 0.64 C ATOM 1720 CD1 LEU A 94 6.368 -11.251 -1.447 1.00 1.02 C ATOM 1721 CD2 LEU A 94 3.896 -11.172 -1.668 1.00 1.12 C ATOM 0 H LEU A 94 3.422 -12.412 -5.191 1.00 0.42 H new ATOM 0 HA LEU A 94 5.084 -10.353 -3.892 1.00 0.51 H new ATOM 0 HB2 LEU A 94 4.559 -13.232 -3.571 1.00 0.61 H new ATOM 0 HB3 LEU A 94 6.264 -12.831 -3.536 1.00 0.61 H new ATOM 0 HG LEU A 94 5.051 -12.928 -1.312 1.00 0.64 H new ATOM 0 HD11 LEU A 94 6.257 -10.970 -0.400 1.00 1.02 H new ATOM 0 HD12 LEU A 94 7.250 -11.881 -1.562 1.00 1.02 H new ATOM 0 HD13 LEU A 94 6.483 -10.352 -2.053 1.00 1.02 H new ATOM 0 HD21 LEU A 94 3.834 -10.897 -0.615 1.00 1.12 H new ATOM 0 HD22 LEU A 94 3.950 -10.269 -2.276 1.00 1.12 H new ATOM 0 HD23 LEU A 94 3.011 -11.744 -1.946 1.00 1.12 H new ATOM 1733 N LYS A 95 6.869 -10.283 -5.576 1.00 0.58 N ATOM 1734 CA LYS A 95 7.880 -10.144 -6.611 1.00 0.66 C ATOM 1735 C LYS A 95 9.121 -10.915 -6.193 1.00 0.69 C ATOM 1736 O LYS A 95 9.683 -11.698 -6.960 1.00 0.78 O ATOM 1737 CB LYS A 95 8.220 -8.665 -6.805 1.00 0.70 C ATOM 1738 CG LYS A 95 8.974 -8.360 -8.089 1.00 0.91 C ATOM 1739 CD LYS A 95 8.064 -8.461 -9.304 1.00 1.61 C ATOM 1740 CE LYS A 95 8.794 -8.086 -10.582 1.00 2.08 C ATOM 1741 NZ LYS A 95 7.879 -8.043 -11.752 1.00 3.03 N ATOM 0 H LYS A 95 6.821 -9.495 -4.930 1.00 0.58 H new ATOM 0 HA LYS A 95 7.504 -10.542 -7.553 1.00 0.66 H new ATOM 0 HB2 LYS A 95 7.296 -8.087 -6.794 1.00 0.70 H new ATOM 0 HB3 LYS A 95 8.817 -8.327 -5.958 1.00 0.70 H new ATOM 0 HG2 LYS A 95 9.400 -7.358 -8.034 1.00 0.91 H new ATOM 0 HG3 LYS A 95 9.807 -9.055 -8.197 1.00 0.91 H new ATOM 0 HD2 LYS A 95 7.680 -9.478 -9.388 1.00 1.61 H new ATOM 0 HD3 LYS A 95 7.203 -7.806 -9.170 1.00 1.61 H new ATOM 0 HE2 LYS A 95 9.268 -7.113 -10.457 1.00 2.08 H new ATOM 0 HE3 LYS A 95 9.590 -8.807 -10.770 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 8.416 -7.783 -12.604 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 7.445 -8.978 -11.888 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 7.134 -7.337 -11.584 1.00 3.03 H new ATOM 1755 N ASP A 96 9.518 -10.680 -4.953 1.00 0.65 N ATOM 1756 CA ASP A 96 10.630 -11.370 -4.323 1.00 0.70 C ATOM 1757 C ASP A 96 10.233 -11.658 -2.881 1.00 0.65 C ATOM 1758 O ASP A 96 9.265 -11.078 -2.392 1.00 0.60 O ATOM 1759 CB ASP A 96 11.903 -10.509 -4.365 1.00 0.76 C ATOM 1760 CG ASP A 96 12.487 -10.373 -5.759 1.00 1.09 C ATOM 1761 OD1 ASP A 96 12.080 -9.446 -6.492 1.00 1.03 O ATOM 1762 OD2 ASP A 96 13.347 -11.200 -6.137 1.00 1.79 O ATOM 0 H ASP A 96 9.069 -9.993 -4.347 1.00 0.65 H new ATOM 0 HA ASP A 96 10.847 -12.296 -4.855 1.00 0.70 H new ATOM 0 HB2 ASP A 96 11.676 -9.517 -3.975 1.00 0.76 H new ATOM 0 HB3 ASP A 96 12.652 -10.947 -3.705 1.00 0.76 H new ATOM 1767 N PRO A 97 10.968 -12.538 -2.171 1.00 0.73 N ATOM 1768 CA PRO A 97 10.593 -12.989 -0.817 1.00 0.76 C ATOM 1769 C PRO A 97 10.608 -11.870 0.226 1.00 0.66 C ATOM 1770 O PRO A 97 10.347 -12.110 1.406 1.00 0.73 O ATOM 1771 CB PRO A 97 11.657 -14.043 -0.478 1.00 0.91 C ATOM 1772 CG PRO A 97 12.258 -14.421 -1.788 1.00 0.98 C ATOM 1773 CD PRO A 97 12.213 -13.176 -2.621 1.00 0.87 C ATOM 0 HA PRO A 97 9.570 -13.364 -0.801 1.00 0.76 H new ATOM 0 HB2 PRO A 97 12.410 -13.640 0.200 1.00 0.91 H new ATOM 0 HB3 PRO A 97 11.213 -14.907 0.016 1.00 0.91 H new ATOM 0 HG2 PRO A 97 13.282 -14.773 -1.663 1.00 0.98 H new ATOM 0 HG3 PRO A 97 11.698 -15.229 -2.259 1.00 0.98 H new ATOM 0 HD2 PRO A 97 13.081 -12.540 -2.447 1.00 0.87 H new ATOM 0 HD3 PRO A 97 12.191 -13.401 -3.687 1.00 0.87 H new ATOM 1781 N ASN A 98 10.902 -10.655 -0.219 1.00 0.57 N ATOM 1782 CA ASN A 98 10.921 -9.486 0.654 1.00 0.55 C ATOM 1783 C ASN A 98 10.317 -8.281 -0.056 1.00 0.46 C ATOM 1784 O ASN A 98 10.613 -7.136 0.287 1.00 0.50 O ATOM 1785 CB ASN A 98 12.350 -9.150 1.101 1.00 0.68 C ATOM 1786 CG ASN A 98 12.843 -10.027 2.236 1.00 1.38 C ATOM 1787 OD1 ASN A 98 12.067 -10.464 3.085 1.00 2.32 O ATOM 1788 ND2 ASN A 98 14.141 -10.285 2.266 1.00 1.91 N ATOM 0 H ASN A 98 11.133 -10.451 -1.191 1.00 0.57 H new ATOM 0 HA ASN A 98 10.326 -9.724 1.536 1.00 0.55 H new ATOM 0 HB2 ASN A 98 13.024 -9.255 0.251 1.00 0.68 H new ATOM 0 HB3 ASN A 98 12.390 -8.106 1.413 1.00 0.68 H new ATOM 0 HD21 ASN A 98 14.529 -10.864 3.011 1.00 1.91 H new ATOM 0 HD22 ASN A 98 14.753 -9.905 1.544 1.00 1.91 H new ATOM 1795 N THR A 99 9.483 -8.536 -1.059 1.00 0.43 N ATOM 1796 CA THR A 99 8.863 -7.460 -1.821 1.00 0.39 C ATOM 1797 C THR A 99 7.500 -7.874 -2.381 1.00 0.33 C ATOM 1798 O THR A 99 7.408 -8.688 -3.302 1.00 0.37 O ATOM 1799 CB THR A 99 9.777 -6.998 -2.972 1.00 0.48 C ATOM 1800 OG1 THR A 99 11.034 -6.552 -2.442 1.00 0.56 O ATOM 1801 CG2 THR A 99 9.128 -5.871 -3.764 1.00 0.51 C ATOM 0 H THR A 99 9.222 -9.475 -1.362 1.00 0.43 H new ATOM 0 HA THR A 99 8.713 -6.630 -1.131 1.00 0.39 H new ATOM 0 HB THR A 99 9.938 -7.842 -3.642 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.614 -6.260 -3.176 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.793 -5.563 -4.571 1.00 0.51 H new ATOM 0 HG22 THR A 99 8.184 -6.218 -4.185 1.00 0.51 H new ATOM 0 HG23 THR A 99 8.941 -5.024 -3.104 1.00 0.51 H new ATOM 1809 N LEU A 100 6.452 -7.305 -1.805 1.00 0.28 N ATOM 1810 CA LEU A 100 5.089 -7.509 -2.278 1.00 0.26 C ATOM 1811 C LEU A 100 4.770 -6.429 -3.305 1.00 0.27 C ATOM 1812 O LEU A 100 5.114 -5.271 -3.104 1.00 0.34 O ATOM 1813 CB LEU A 100 4.120 -7.431 -1.080 1.00 0.28 C ATOM 1814 CG LEU A 100 2.666 -7.875 -1.310 1.00 0.45 C ATOM 1815 CD1 LEU A 100 1.963 -8.034 0.029 1.00 1.10 C ATOM 1816 CD2 LEU A 100 1.900 -6.876 -2.163 1.00 1.10 C ATOM 0 H LEU A 100 6.521 -6.688 -0.996 1.00 0.28 H new ATOM 0 HA LEU A 100 4.982 -8.489 -2.744 1.00 0.26 H new ATOM 0 HB2 LEU A 100 4.533 -8.038 -0.274 1.00 0.28 H new ATOM 0 HB3 LEU A 100 4.104 -6.400 -0.727 1.00 0.28 H new ATOM 0 HG LEU A 100 2.689 -8.827 -1.841 1.00 0.45 H new ATOM 0 HD11 LEU A 100 0.933 -8.349 -0.136 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.481 -8.786 0.625 1.00 1.10 H new ATOM 0 HD13 LEU A 100 1.971 -7.082 0.559 1.00 1.10 H new ATOM 0 HD21 LEU A 100 0.877 -7.226 -2.303 1.00 1.10 H new ATOM 0 HD22 LEU A 100 1.887 -5.907 -1.665 1.00 1.10 H new ATOM 0 HD23 LEU A 100 2.386 -6.779 -3.134 1.00 1.10 H new ATOM 1828 N THR A 101 4.126 -6.791 -4.399 1.00 0.29 N ATOM 1829 CA THR A 101 3.765 -5.818 -5.413 1.00 0.31 C ATOM 1830 C THR A 101 2.253 -5.674 -5.516 1.00 0.30 C ATOM 1831 O THR A 101 1.531 -6.665 -5.666 1.00 0.31 O ATOM 1832 CB THR A 101 4.344 -6.195 -6.791 1.00 0.36 C ATOM 1833 OG1 THR A 101 4.230 -7.609 -7.011 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.797 -5.768 -6.892 1.00 0.41 C ATOM 0 H THR A 101 3.843 -7.748 -4.608 1.00 0.29 H new ATOM 0 HA THR A 101 4.194 -4.864 -5.107 1.00 0.31 H new ATOM 0 HB THR A 101 3.772 -5.673 -7.558 1.00 0.36 H new ATOM 0 HG1 THR A 101 3.424 -7.945 -6.566 1.00 0.36 H new ATOM 0 HG21 THR A 101 6.190 -6.042 -7.871 1.00 0.41 H new ATOM 0 HG22 THR A 101 5.869 -4.688 -6.761 1.00 0.41 H new ATOM 0 HG23 THR A 101 6.378 -6.267 -6.116 1.00 0.41 H new ATOM 1842 N GLU A 102 1.783 -4.445 -5.408 1.00 0.31 N ATOM 1843 CA GLU A 102 0.363 -4.152 -5.522 1.00 0.33 C ATOM 1844 C GLU A 102 0.114 -3.277 -6.744 1.00 0.35 C ATOM 1845 O GLU A 102 0.484 -2.099 -6.764 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.142 -3.450 -4.261 1.00 0.39 C ATOM 1847 CG GLU A 102 -1.631 -3.137 -4.297 1.00 0.56 C ATOM 1848 CD GLU A 102 -2.065 -2.239 -3.157 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -1.274 -1.357 -2.769 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -3.217 -2.369 -2.691 1.00 0.98 O ATOM 0 H GLU A 102 2.368 -3.626 -5.240 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.181 -5.090 -5.636 1.00 0.33 H new ATOM 0 HB2 GLU A 102 0.069 -4.078 -3.396 1.00 0.39 H new ATOM 0 HB3 GLU A 102 0.413 -2.522 -4.124 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -1.875 -2.658 -5.245 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -2.195 -4.069 -4.256 1.00 0.56 H new ATOM 1857 N THR A 103 -0.505 -3.850 -7.759 1.00 0.36 N ATOM 1858 CA THR A 103 -0.719 -3.150 -9.012 1.00 0.39 C ATOM 1859 C THR A 103 -2.130 -2.573 -9.075 1.00 0.39 C ATOM 1860 O THR A 103 -3.110 -3.311 -9.164 1.00 0.42 O ATOM 1861 CB THR A 103 -0.494 -4.096 -10.205 1.00 0.43 C ATOM 1862 OG1 THR A 103 0.710 -4.850 -10.001 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.388 -3.314 -11.506 1.00 0.46 C ATOM 0 H THR A 103 -0.870 -4.802 -7.740 1.00 0.36 H new ATOM 0 HA THR A 103 -0.001 -2.332 -9.066 1.00 0.39 H new ATOM 0 HB THR A 103 -1.347 -4.771 -10.275 1.00 0.43 H new ATOM 0 HG1 THR A 103 0.851 -5.453 -10.761 1.00 0.51 H new ATOM 0 HG21 THR A 103 -0.229 -4.005 -12.334 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.309 -2.756 -11.671 1.00 0.46 H new ATOM 0 HG23 THR A 103 0.451 -2.620 -11.446 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.228 -1.253 -9.005 1.00 0.40 N ATOM 1872 CA HIS A 104 -3.517 -0.576 -9.041 1.00 0.45 C ATOM 1873 C HIS A 104 -3.866 -0.179 -10.474 1.00 0.40 C ATOM 1874 O HIS A 104 -3.367 0.828 -10.975 1.00 0.48 O ATOM 1875 CB HIS A 104 -3.499 0.691 -8.171 1.00 0.70 C ATOM 1876 CG HIS A 104 -3.135 0.488 -6.730 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -4.040 0.646 -5.702 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -1.949 0.204 -6.141 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -3.425 0.472 -4.548 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -2.158 0.202 -4.784 1.00 1.69 N ATOM 0 H HIS A 104 -1.427 -0.627 -8.923 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.264 -1.268 -8.653 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -2.795 1.399 -8.608 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -4.485 1.154 -8.215 1.00 0.70 H new ATOM 0 HD2 HIS A 104 -1.013 0.014 -6.645 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -3.884 0.540 -3.573 1.00 1.60 H new ATOM 0 HE2 HIS A 104 -1.448 0.021 -4.075 1.00 1.69 H new ATOM 1889 N ILE A 105 -4.718 -0.960 -11.131 1.00 0.45 N ATOM 1890 CA ILE A 105 -5.113 -0.654 -12.502 1.00 0.52 C ATOM 1891 C ILE A 105 -6.553 -0.167 -12.578 1.00 0.54 C ATOM 1892 O ILE A 105 -7.489 -0.872 -12.207 1.00 0.55 O ATOM 1893 CB ILE A 105 -4.938 -1.854 -13.445 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -3.471 -2.277 -13.487 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -5.444 -1.499 -14.843 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -3.186 -3.348 -14.506 1.00 0.75 C ATOM 0 H ILE A 105 -5.144 -1.801 -10.742 1.00 0.45 H new ATOM 0 HA ILE A 105 -4.446 0.143 -12.830 1.00 0.52 H new ATOM 0 HB ILE A 105 -5.525 -2.693 -13.071 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -2.855 -1.405 -13.706 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -3.176 -2.636 -12.501 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -5.316 -2.356 -15.505 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -6.500 -1.235 -14.791 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -4.877 -0.653 -15.231 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -2.126 -3.600 -14.482 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -3.776 -4.235 -14.276 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -3.450 -2.985 -15.499 1.00 0.75 H new ATOM 1908 N LYS A 106 -6.713 1.059 -13.038 1.00 0.59 N ATOM 1909 CA LYS A 106 -8.026 1.672 -13.183 1.00 0.63 C ATOM 1910 C LYS A 106 -8.841 1.037 -14.307 1.00 0.67 C ATOM 1911 O LYS A 106 -8.404 0.962 -15.453 1.00 0.70 O ATOM 1912 CB LYS A 106 -7.862 3.167 -13.439 1.00 0.73 C ATOM 1913 CG LYS A 106 -7.048 3.875 -12.369 1.00 0.81 C ATOM 1914 CD LYS A 106 -6.576 5.239 -12.841 1.00 1.05 C ATOM 1915 CE LYS A 106 -7.732 6.202 -13.044 1.00 1.47 C ATOM 1916 NZ LYS A 106 -7.292 7.459 -13.700 1.00 1.61 N ATOM 0 H LYS A 106 -5.940 1.660 -13.322 1.00 0.59 H new ATOM 0 HA LYS A 106 -8.574 1.507 -12.255 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -7.381 3.312 -14.407 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -8.848 3.628 -13.500 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -7.650 3.989 -11.468 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -6.187 3.263 -12.101 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -5.882 5.655 -12.111 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -6.027 5.129 -13.776 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -8.501 5.724 -13.652 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -8.186 6.434 -12.080 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -8.017 8.193 -13.566 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -6.396 7.776 -13.277 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -7.154 7.290 -14.717 1.00 1.61 H new ATOM 1930 N VAL A 107 -10.032 0.583 -13.936 1.00 0.70 N ATOM 1931 CA VAL A 107 -11.017 0.076 -14.863 1.00 0.78 C ATOM 1932 C VAL A 107 -11.462 1.186 -15.804 1.00 0.86 C ATOM 1933 O VAL A 107 -11.803 0.953 -16.964 1.00 0.92 O ATOM 1934 CB VAL A 107 -12.227 -0.455 -14.079 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -13.296 -0.951 -15.014 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -11.798 -1.550 -13.122 1.00 1.11 C ATOM 0 H VAL A 107 -10.339 0.560 -12.963 1.00 0.70 H new ATOM 0 HA VAL A 107 -10.579 -0.732 -15.450 1.00 0.78 H new ATOM 0 HB VAL A 107 -12.645 0.366 -13.497 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -14.142 -1.322 -14.435 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -13.626 -0.134 -15.656 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -12.896 -1.757 -15.629 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -12.667 -1.915 -12.574 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -11.352 -2.370 -13.684 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -11.066 -1.152 -12.419 1.00 1.11 H new ATOM 1946 N ASP A 108 -11.435 2.400 -15.279 1.00 0.89 N ATOM 1947 CA ASP A 108 -11.816 3.582 -16.031 1.00 1.00 C ATOM 1948 C ASP A 108 -10.774 3.890 -17.101 1.00 0.97 C ATOM 1949 O ASP A 108 -11.116 4.158 -18.253 1.00 1.06 O ATOM 1950 CB ASP A 108 -11.973 4.771 -15.080 1.00 1.05 C ATOM 1951 CG ASP A 108 -12.981 4.496 -13.982 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -12.616 3.838 -12.986 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -14.146 4.923 -14.118 1.00 2.50 O ATOM 0 H ASP A 108 -11.148 2.593 -14.319 1.00 0.89 H new ATOM 0 HA ASP A 108 -12.769 3.396 -16.526 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -11.007 5.007 -14.633 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -12.285 5.648 -15.646 1.00 1.05 H new ATOM 1958 N ASP A 109 -9.503 3.835 -16.715 1.00 0.91 N ATOM 1959 CA ASP A 109 -8.405 4.051 -17.642 1.00 0.92 C ATOM 1960 C ASP A 109 -7.118 3.435 -17.104 1.00 0.84 C ATOM 1961 O ASP A 109 -6.511 3.931 -16.155 1.00 0.85 O ATOM 1962 CB ASP A 109 -8.208 5.544 -17.953 1.00 1.03 C ATOM 1963 CG ASP A 109 -8.067 6.418 -16.720 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -6.920 6.685 -16.300 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -9.097 6.815 -16.141 1.00 1.94 O ATOM 0 H ASP A 109 -9.210 3.641 -15.758 1.00 0.91 H new ATOM 0 HA ASP A 109 -8.662 3.555 -18.578 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -7.319 5.661 -18.573 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -9.055 5.897 -18.541 1.00 1.03 H new ATOM 1970 N PRO A 110 -6.701 2.320 -17.710 1.00 0.80 N ATOM 1971 CA PRO A 110 -5.488 1.590 -17.320 1.00 0.78 C ATOM 1972 C PRO A 110 -4.204 2.310 -17.733 1.00 0.86 C ATOM 1973 O PRO A 110 -3.111 1.744 -17.680 1.00 0.90 O ATOM 1974 CB PRO A 110 -5.627 0.271 -18.077 1.00 0.80 C ATOM 1975 CG PRO A 110 -6.430 0.617 -19.277 1.00 0.84 C ATOM 1976 CD PRO A 110 -7.403 1.660 -18.821 1.00 0.83 C ATOM 0 HA PRO A 110 -5.407 1.481 -16.239 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -4.653 -0.133 -18.353 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -6.125 -0.485 -17.470 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -5.795 0.996 -20.078 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -6.948 -0.259 -19.668 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -7.642 2.363 -19.619 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -8.344 1.216 -18.495 1.00 0.83 H new ATOM 1984 N THR A 111 -4.348 3.554 -18.157 1.00 0.93 N ATOM 1985 CA THR A 111 -3.215 4.374 -18.543 1.00 1.05 C ATOM 1986 C THR A 111 -2.682 5.172 -17.359 1.00 0.94 C ATOM 1987 O THR A 111 -1.555 5.670 -17.387 1.00 0.98 O ATOM 1988 CB THR A 111 -3.621 5.337 -19.667 1.00 1.30 C ATOM 1989 OG1 THR A 111 -4.781 6.081 -19.273 1.00 1.33 O ATOM 1990 CG2 THR A 111 -3.929 4.563 -20.934 1.00 1.47 C ATOM 0 H THR A 111 -5.250 4.022 -18.243 1.00 0.93 H new ATOM 0 HA THR A 111 -2.426 3.710 -18.895 1.00 1.05 H new ATOM 0 HB THR A 111 -2.794 6.021 -19.857 1.00 1.30 H new ATOM 0 HG1 THR A 111 -5.035 6.696 -19.993 1.00 1.33 H new ATOM 0 HG21 THR A 111 -4.216 5.257 -21.724 1.00 1.47 H new ATOM 0 HG22 THR A 111 -3.045 4.006 -21.244 1.00 1.47 H new ATOM 0 HG23 THR A 111 -4.748 3.869 -20.746 1.00 1.47 H new ATOM 1998 N ASP A 112 -3.490 5.279 -16.314 1.00 0.86 N ATOM 1999 CA ASP A 112 -3.135 6.087 -15.145 1.00 0.86 C ATOM 2000 C ASP A 112 -2.955 5.185 -13.926 1.00 0.79 C ATOM 2001 O ASP A 112 -3.345 5.516 -12.809 1.00 1.18 O ATOM 2002 CB ASP A 112 -4.227 7.144 -14.900 1.00 1.05 C ATOM 2003 CG ASP A 112 -3.890 8.147 -13.806 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -4.675 8.276 -12.843 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -2.811 8.778 -13.885 1.00 1.40 O ATOM 0 H ASP A 112 -4.397 4.818 -16.247 1.00 0.86 H new ATOM 0 HA ASP A 112 -2.192 6.602 -15.325 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -4.409 7.684 -15.829 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -5.156 6.637 -14.639 1.00 1.05 H new ATOM 2010 N VAL A 113 -2.350 4.031 -14.159 1.00 0.66 N ATOM 2011 CA VAL A 113 -2.180 3.028 -13.124 1.00 0.68 C ATOM 2012 C VAL A 113 -0.933 3.290 -12.294 1.00 0.60 C ATOM 2013 O VAL A 113 -0.205 4.245 -12.549 1.00 0.79 O ATOM 2014 CB VAL A 113 -2.088 1.629 -13.744 1.00 0.86 C ATOM 2015 CG1 VAL A 113 -3.308 1.358 -14.596 1.00 1.60 C ATOM 2016 CG2 VAL A 113 -0.817 1.482 -14.563 1.00 1.23 C ATOM 0 H VAL A 113 -1.966 3.766 -15.066 1.00 0.66 H new ATOM 0 HA VAL A 113 -3.051 3.084 -12.471 1.00 0.68 H new ATOM 0 HB VAL A 113 -2.053 0.895 -12.939 1.00 0.86 H new ATOM 0 HG11 VAL A 113 -3.233 0.362 -15.032 1.00 1.60 H new ATOM 0 HG12 VAL A 113 -4.204 1.417 -13.978 1.00 1.60 H new ATOM 0 HG13 VAL A 113 -3.367 2.099 -15.393 1.00 1.60 H new ATOM 0 HG21 VAL A 113 -0.775 0.481 -14.993 1.00 1.23 H new ATOM 0 HG22 VAL A 113 -0.813 2.221 -15.364 1.00 1.23 H new ATOM 0 HG23 VAL A 113 0.050 1.638 -13.921 1.00 1.23 H new ATOM 2026 N GLU A 114 -0.701 2.446 -11.299 1.00 0.45 N ATOM 2027 CA GLU A 114 0.493 2.551 -10.472 1.00 0.47 C ATOM 2028 C GLU A 114 0.745 1.240 -9.738 1.00 0.44 C ATOM 2029 O GLU A 114 -0.188 0.480 -9.462 1.00 0.48 O ATOM 2030 CB GLU A 114 0.354 3.700 -9.468 1.00 0.64 C ATOM 2031 CG GLU A 114 1.617 3.970 -8.663 1.00 0.96 C ATOM 2032 CD GLU A 114 2.840 4.178 -9.534 1.00 1.94 C ATOM 2033 OE1 GLU A 114 3.484 3.175 -9.907 1.00 2.78 O ATOM 2034 OE2 GLU A 114 3.162 5.343 -9.838 1.00 2.10 O ATOM 0 H GLU A 114 -1.324 1.680 -11.044 1.00 0.45 H new ATOM 0 HA GLU A 114 1.343 2.759 -11.121 1.00 0.47 H new ATOM 0 HB2 GLU A 114 0.076 4.607 -10.005 1.00 0.64 H new ATOM 0 HB3 GLU A 114 -0.462 3.473 -8.781 1.00 0.64 H new ATOM 0 HG2 GLU A 114 1.464 4.854 -8.043 1.00 0.96 H new ATOM 0 HG3 GLU A 114 1.797 3.134 -7.987 1.00 0.96 H new ATOM 2041 N THR A 115 2.001 0.993 -9.414 1.00 0.45 N ATOM 2042 CA THR A 115 2.387 -0.205 -8.700 1.00 0.45 C ATOM 2043 C THR A 115 3.133 0.167 -7.425 1.00 0.44 C ATOM 2044 O THR A 115 4.176 0.817 -7.464 1.00 0.51 O ATOM 2045 CB THR A 115 3.276 -1.120 -9.567 1.00 0.49 C ATOM 2046 OG1 THR A 115 2.638 -1.380 -10.824 1.00 0.53 O ATOM 2047 CG2 THR A 115 3.555 -2.439 -8.856 1.00 0.53 C ATOM 0 H THR A 115 2.777 1.615 -9.638 1.00 0.45 H new ATOM 0 HA THR A 115 1.477 -0.750 -8.451 1.00 0.45 H new ATOM 0 HB THR A 115 4.223 -0.608 -9.738 1.00 0.49 H new ATOM 0 HG1 THR A 115 3.211 -1.960 -11.368 1.00 0.53 H new ATOM 0 HG21 THR A 115 4.184 -3.067 -9.487 1.00 0.53 H new ATOM 0 HG22 THR A 115 4.067 -2.243 -7.914 1.00 0.53 H new ATOM 0 HG23 THR A 115 2.614 -2.951 -8.657 1.00 0.53 H new ATOM 2055 N TYR A 116 2.590 -0.247 -6.298 1.00 0.41 N ATOM 2056 CA TYR A 116 3.236 -0.014 -5.018 1.00 0.43 C ATOM 2057 C TYR A 116 4.039 -1.251 -4.673 1.00 0.38 C ATOM 2058 O TYR A 116 3.627 -2.360 -5.026 1.00 0.39 O ATOM 2059 CB TYR A 116 2.207 0.256 -3.915 1.00 0.54 C ATOM 2060 CG TYR A 116 1.381 1.515 -4.098 1.00 0.57 C ATOM 2061 CD1 TYR A 116 1.733 2.448 -5.064 1.00 0.79 C ATOM 2062 CD2 TYR A 116 0.257 1.771 -3.321 1.00 0.80 C ATOM 2063 CE1 TYR A 116 0.993 3.598 -5.253 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -0.489 2.921 -3.505 1.00 0.91 C ATOM 2065 CZ TYR A 116 -0.149 3.820 -4.392 1.00 0.80 C ATOM 2066 OH TYR A 116 -0.854 4.977 -4.659 1.00 0.96 O ATOM 0 H TYR A 116 1.703 -0.747 -6.240 1.00 0.41 H new ATOM 0 HA TYR A 116 3.878 0.864 -5.091 1.00 0.43 H new ATOM 0 HB2 TYR A 116 1.531 -0.597 -3.854 1.00 0.54 H new ATOM 0 HB3 TYR A 116 2.729 0.319 -2.960 1.00 0.54 H new ATOM 0 HD1 TYR A 116 2.603 2.271 -5.679 1.00 0.79 H new ATOM 0 HD2 TYR A 116 -0.038 1.061 -2.562 1.00 0.80 H new ATOM 0 HE1 TYR A 116 1.258 4.310 -6.020 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -1.372 3.080 -2.903 1.00 0.91 H new ATOM 0 HH TYR A 116 -1.607 5.052 -4.037 1.00 0.96 H new ATOM 2076 N GLU A 117 5.170 -1.109 -3.996 1.00 0.37 N ATOM 2077 CA GLU A 117 5.985 -2.271 -3.677 1.00 0.35 C ATOM 2078 C GLU A 117 6.305 -2.255 -2.183 1.00 0.34 C ATOM 2079 O GLU A 117 6.860 -1.280 -1.675 1.00 0.44 O ATOM 2080 CB GLU A 117 7.285 -2.265 -4.486 1.00 0.44 C ATOM 2081 CG GLU A 117 7.097 -2.084 -5.984 1.00 0.92 C ATOM 2082 CD GLU A 117 8.410 -2.134 -6.739 1.00 0.83 C ATOM 2083 OE1 GLU A 117 9.222 -1.198 -6.593 1.00 1.27 O ATOM 2084 OE2 GLU A 117 8.628 -3.105 -7.498 1.00 1.18 O ATOM 0 H GLU A 117 5.538 -0.218 -3.663 1.00 0.37 H new ATOM 0 HA GLU A 117 5.431 -3.174 -3.933 1.00 0.35 H new ATOM 0 HB2 GLU A 117 7.925 -1.465 -4.114 1.00 0.44 H new ATOM 0 HB3 GLU A 117 7.812 -3.203 -4.310 1.00 0.44 H new ATOM 0 HG2 GLU A 117 6.434 -2.862 -6.361 1.00 0.92 H new ATOM 0 HG3 GLU A 117 6.608 -1.129 -6.174 1.00 0.92 H new ATOM 2091 N TYR A 118 5.941 -3.324 -1.492 1.00 0.29 N ATOM 2092 CA TYR A 118 6.102 -3.407 -0.045 1.00 0.29 C ATOM 2093 C TYR A 118 7.367 -4.182 0.315 1.00 0.31 C ATOM 2094 O TYR A 118 7.524 -5.337 -0.081 1.00 0.41 O ATOM 2095 CB TYR A 118 4.897 -4.111 0.599 1.00 0.32 C ATOM 2096 CG TYR A 118 3.547 -3.454 0.367 1.00 0.35 C ATOM 2097 CD1 TYR A 118 2.777 -2.965 1.421 1.00 0.50 C ATOM 2098 CD2 TYR A 118 3.050 -3.301 -0.920 1.00 0.47 C ATOM 2099 CE1 TYR A 118 1.567 -2.361 1.197 1.00 0.58 C ATOM 2100 CE2 TYR A 118 1.835 -2.692 -1.148 1.00 0.52 C ATOM 2101 CZ TYR A 118 1.068 -2.281 -0.032 1.00 0.50 C ATOM 2102 OH TYR A 118 -0.101 -1.628 -0.291 1.00 0.60 O ATOM 0 H TYR A 118 5.528 -4.156 -1.914 1.00 0.29 H new ATOM 0 HA TYR A 118 6.176 -2.388 0.334 1.00 0.29 H new ATOM 0 HB2 TYR A 118 4.853 -5.133 0.222 1.00 0.32 H new ATOM 0 HB3 TYR A 118 5.069 -4.175 1.673 1.00 0.32 H new ATOM 0 HD1 TYR A 118 3.141 -3.064 2.433 1.00 0.50 H new ATOM 0 HD2 TYR A 118 3.626 -3.666 -1.758 1.00 0.47 H new ATOM 0 HE1 TYR A 118 1.014 -1.946 2.027 1.00 0.58 H new ATOM 0 HE2 TYR A 118 1.477 -2.532 -2.154 1.00 0.52 H new ATOM 0 HH TYR A 118 -0.290 -1.665 -1.252 1.00 0.60 H new ATOM 2112 N ARG A 119 8.261 -3.549 1.056 1.00 0.31 N ATOM 2113 CA ARG A 119 9.436 -4.234 1.587 1.00 0.35 C ATOM 2114 C ARG A 119 9.604 -3.927 3.070 1.00 0.35 C ATOM 2115 O ARG A 119 9.191 -2.873 3.544 1.00 0.42 O ATOM 2116 CB ARG A 119 10.716 -3.880 0.813 1.00 0.46 C ATOM 2117 CG ARG A 119 10.841 -2.421 0.409 1.00 1.14 C ATOM 2118 CD ARG A 119 10.237 -2.174 -0.965 1.00 1.30 C ATOM 2119 NE ARG A 119 10.919 -2.942 -2.012 1.00 1.83 N ATOM 2120 CZ ARG A 119 10.844 -2.665 -3.316 1.00 2.50 C ATOM 2121 NH1 ARG A 119 10.181 -1.595 -3.732 1.00 2.76 N ATOM 2122 NH2 ARG A 119 11.448 -3.447 -4.201 1.00 3.41 N ATOM 0 H ARG A 119 8.199 -2.562 1.306 1.00 0.31 H new ATOM 0 HA ARG A 119 9.272 -5.304 1.461 1.00 0.35 H new ATOM 0 HB2 ARG A 119 11.578 -4.147 1.425 1.00 0.46 H new ATOM 0 HB3 ARG A 119 10.761 -4.495 -0.086 1.00 0.46 H new ATOM 0 HG2 ARG A 119 10.341 -1.793 1.147 1.00 1.14 H new ATOM 0 HG3 ARG A 119 11.892 -2.132 0.404 1.00 1.14 H new ATOM 0 HD2 ARG A 119 9.180 -2.441 -0.950 1.00 1.30 H new ATOM 0 HD3 ARG A 119 10.294 -1.111 -1.200 1.00 1.30 H new ATOM 0 HE ARG A 119 11.487 -3.739 -1.725 1.00 1.83 H new ATOM 0 HH11 ARG A 119 9.727 -0.981 -3.055 1.00 2.76 H new ATOM 0 HH12 ARG A 119 10.125 -1.385 -4.729 1.00 2.76 H new ATOM 0 HH21 ARG A 119 11.972 -4.263 -3.886 1.00 3.41 H new ATOM 0 HH22 ARG A 119 11.388 -3.232 -5.196 1.00 3.41 H new ATOM 2136 N ARG A 120 10.198 -4.860 3.800 1.00 0.36 N ATOM 2137 CA ARG A 120 10.363 -4.719 5.243 1.00 0.41 C ATOM 2138 C ARG A 120 11.788 -4.288 5.577 1.00 0.46 C ATOM 2139 O ARG A 120 12.722 -5.086 5.488 1.00 0.63 O ATOM 2140 CB ARG A 120 10.043 -6.051 5.937 1.00 0.49 C ATOM 2141 CG ARG A 120 10.253 -6.050 7.449 1.00 1.06 C ATOM 2142 CD ARG A 120 9.131 -5.340 8.193 1.00 0.97 C ATOM 2143 NE ARG A 120 9.289 -5.454 9.650 1.00 1.27 N ATOM 2144 CZ ARG A 120 8.275 -5.596 10.515 1.00 1.56 C ATOM 2145 NH1 ARG A 120 7.029 -5.695 10.077 1.00 1.62 N ATOM 2146 NH2 ARG A 120 8.511 -5.664 11.821 1.00 1.96 N ATOM 0 H ARG A 120 10.576 -5.727 3.417 1.00 0.36 H new ATOM 0 HA ARG A 120 9.675 -3.953 5.600 1.00 0.41 H new ATOM 0 HB2 ARG A 120 9.006 -6.314 5.728 1.00 0.49 H new ATOM 0 HB3 ARG A 120 10.664 -6.832 5.498 1.00 0.49 H new ATOM 0 HG2 ARG A 120 10.326 -7.078 7.803 1.00 1.06 H new ATOM 0 HG3 ARG A 120 11.202 -5.565 7.680 1.00 1.06 H new ATOM 0 HD2 ARG A 120 9.115 -4.288 7.910 1.00 0.97 H new ATOM 0 HD3 ARG A 120 8.172 -5.764 7.896 1.00 0.97 H new ATOM 0 HE ARG A 120 10.236 -5.423 10.029 1.00 1.27 H new ATOM 0 HH11 ARG A 120 6.836 -5.663 9.076 1.00 1.62 H new ATOM 0 HH12 ARG A 120 6.262 -5.803 10.741 1.00 1.62 H new ATOM 0 HH21 ARG A 120 9.468 -5.608 12.170 1.00 1.96 H new ATOM 0 HH22 ARG A 120 7.735 -5.772 12.474 1.00 1.96 H new ATOM 2160 N ASP A 121 11.947 -3.028 5.950 1.00 0.49 N ATOM 2161 CA ASP A 121 13.248 -2.509 6.354 1.00 0.59 C ATOM 2162 C ASP A 121 13.376 -2.576 7.867 1.00 0.66 C ATOM 2163 O ASP A 121 12.963 -1.657 8.579 1.00 1.08 O ATOM 2164 CB ASP A 121 13.437 -1.068 5.871 1.00 0.67 C ATOM 2165 CG ASP A 121 14.838 -0.546 6.135 1.00 0.82 C ATOM 2166 OD1 ASP A 121 15.789 -1.030 5.485 1.00 0.96 O ATOM 2167 OD2 ASP A 121 14.994 0.362 6.978 1.00 0.88 O ATOM 0 H ASP A 121 11.191 -2.344 5.982 1.00 0.49 H new ATOM 0 HA ASP A 121 14.025 -3.122 5.897 1.00 0.59 H new ATOM 0 HB2 ASP A 121 13.229 -1.016 4.802 1.00 0.67 H new ATOM 0 HB3 ASP A 121 12.713 -0.423 6.369 1.00 0.67 H new ATOM 2172 N GLY A 122 13.926 -3.679 8.353 1.00 0.73 N ATOM 2173 CA GLY A 122 14.013 -3.892 9.781 1.00 0.83 C ATOM 2174 C GLY A 122 12.645 -4.130 10.381 1.00 0.78 C ATOM 2175 O GLY A 122 12.096 -5.232 10.289 1.00 0.92 O ATOM 0 H GLY A 122 14.314 -4.430 7.782 1.00 0.73 H new ATOM 0 HA2 GLY A 122 14.657 -4.747 9.986 1.00 0.83 H new ATOM 0 HA3 GLY A 122 14.475 -3.025 10.254 1.00 0.83 H new ATOM 2179 N ASP A 123 12.080 -3.096 10.981 1.00 0.70 N ATOM 2180 CA ASP A 123 10.734 -3.176 11.523 1.00 0.78 C ATOM 2181 C ASP A 123 9.836 -2.116 10.909 1.00 0.64 C ATOM 2182 O ASP A 123 8.728 -1.873 11.389 1.00 0.75 O ATOM 2183 CB ASP A 123 10.747 -3.051 13.046 1.00 0.98 C ATOM 2184 CG ASP A 123 11.273 -4.302 13.712 1.00 1.67 C ATOM 2185 OD1 ASP A 123 10.586 -5.341 13.654 1.00 2.17 O ATOM 2186 OD2 ASP A 123 12.373 -4.260 14.298 1.00 2.31 O ATOM 0 H ASP A 123 12.533 -2.190 11.105 1.00 0.70 H new ATOM 0 HA ASP A 123 10.331 -4.155 11.266 1.00 0.78 H new ATOM 0 HB2 ASP A 123 11.364 -2.200 13.335 1.00 0.98 H new ATOM 0 HB3 ASP A 123 9.737 -2.848 13.402 1.00 0.98 H new ATOM 2191 N TYR A 124 10.312 -1.487 9.846 1.00 0.48 N ATOM 2192 CA TYR A 124 9.511 -0.519 9.117 1.00 0.36 C ATOM 2193 C TYR A 124 9.039 -1.110 7.800 1.00 0.33 C ATOM 2194 O TYR A 124 9.810 -1.752 7.088 1.00 0.39 O ATOM 2195 CB TYR A 124 10.306 0.764 8.852 1.00 0.32 C ATOM 2196 CG TYR A 124 10.607 1.568 10.098 1.00 0.37 C ATOM 2197 CD1 TYR A 124 11.765 1.338 10.831 1.00 0.46 C ATOM 2198 CD2 TYR A 124 9.734 2.551 10.540 1.00 0.49 C ATOM 2199 CE1 TYR A 124 12.042 2.068 11.972 1.00 0.53 C ATOM 2200 CE2 TYR A 124 10.007 3.286 11.677 1.00 0.58 C ATOM 2201 CZ TYR A 124 11.159 3.050 12.384 1.00 0.56 C ATOM 2202 OH TYR A 124 11.432 3.764 13.527 1.00 0.67 O ATOM 0 H TYR A 124 11.249 -1.630 9.470 1.00 0.48 H new ATOM 0 HA TYR A 124 8.645 -0.270 9.731 1.00 0.36 H new ATOM 0 HB2 TYR A 124 11.245 0.503 8.364 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.747 1.388 8.155 1.00 0.32 H new ATOM 0 HD1 TYR A 124 12.459 0.578 10.504 1.00 0.46 H new ATOM 0 HD2 TYR A 124 8.827 2.745 9.987 1.00 0.49 H new ATOM 0 HE1 TYR A 124 12.941 1.873 12.538 1.00 0.53 H new ATOM 0 HE2 TYR A 124 9.315 4.045 12.009 1.00 0.58 H new ATOM 0 HH TYR A 124 10.718 4.417 13.683 1.00 0.67 H new ATOM 2212 N LEU A 125 7.772 -0.912 7.491 1.00 0.30 N ATOM 2213 CA LEU A 125 7.227 -1.304 6.209 1.00 0.30 C ATOM 2214 C LEU A 125 7.488 -0.169 5.231 1.00 0.27 C ATOM 2215 O LEU A 125 7.004 0.945 5.418 1.00 0.31 O ATOM 2216 CB LEU A 125 5.720 -1.596 6.360 1.00 0.36 C ATOM 2217 CG LEU A 125 4.977 -2.180 5.140 1.00 0.44 C ATOM 2218 CD1 LEU A 125 4.640 -1.101 4.117 1.00 1.03 C ATOM 2219 CD2 LEU A 125 5.785 -3.296 4.493 1.00 0.88 C ATOM 0 H LEU A 125 7.096 -0.477 8.119 1.00 0.30 H new ATOM 0 HA LEU A 125 7.698 -2.213 5.835 1.00 0.30 H new ATOM 0 HB2 LEU A 125 5.594 -2.288 7.192 1.00 0.36 H new ATOM 0 HB3 LEU A 125 5.225 -0.667 6.641 1.00 0.36 H new ATOM 0 HG LEU A 125 4.038 -2.599 5.502 1.00 0.44 H new ATOM 0 HD11 LEU A 125 4.118 -1.551 3.273 1.00 1.03 H new ATOM 0 HD12 LEU A 125 4.002 -0.348 4.579 1.00 1.03 H new ATOM 0 HD13 LEU A 125 5.559 -0.632 3.767 1.00 1.03 H new ATOM 0 HD21 LEU A 125 5.239 -3.690 3.636 1.00 0.88 H new ATOM 0 HD22 LEU A 125 6.747 -2.904 4.162 1.00 0.88 H new ATOM 0 HD23 LEU A 125 5.948 -4.094 5.217 1.00 0.88 H new ATOM 2231 N VAL A 126 8.255 -0.444 4.199 1.00 0.29 N ATOM 2232 CA VAL A 126 8.655 0.597 3.280 1.00 0.34 C ATOM 2233 C VAL A 126 8.016 0.357 1.929 1.00 0.36 C ATOM 2234 O VAL A 126 8.160 -0.710 1.332 1.00 0.43 O ATOM 2235 CB VAL A 126 10.190 0.696 3.119 1.00 0.41 C ATOM 2236 CG1 VAL A 126 10.559 1.869 2.218 1.00 0.46 C ATOM 2237 CG2 VAL A 126 10.861 0.837 4.476 1.00 0.47 C ATOM 0 H VAL A 126 8.612 -1.373 3.977 1.00 0.29 H new ATOM 0 HA VAL A 126 8.314 1.544 3.699 1.00 0.34 H new ATOM 0 HB VAL A 126 10.546 -0.223 2.652 1.00 0.41 H new ATOM 0 HG11 VAL A 126 11.643 1.923 2.116 1.00 0.46 H new ATOM 0 HG12 VAL A 126 10.109 1.729 1.235 1.00 0.46 H new ATOM 0 HG13 VAL A 126 10.189 2.796 2.657 1.00 0.46 H new ATOM 0 HG21 VAL A 126 11.941 0.905 4.343 1.00 0.47 H new ATOM 0 HG22 VAL A 126 10.499 1.739 4.969 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.626 -0.032 5.090 1.00 0.47 H new ATOM 2247 N MET A 127 7.295 1.353 1.470 1.00 0.38 N ATOM 2248 CA MET A 127 6.620 1.273 0.199 1.00 0.46 C ATOM 2249 C MET A 127 7.351 2.104 -0.832 1.00 0.33 C ATOM 2250 O MET A 127 7.837 3.194 -0.536 1.00 0.33 O ATOM 2251 CB MET A 127 5.170 1.736 0.331 1.00 0.65 C ATOM 2252 CG MET A 127 4.541 2.147 -0.989 1.00 0.87 C ATOM 2253 SD MET A 127 2.774 2.428 -0.856 1.00 1.08 S ATOM 2254 CE MET A 127 2.246 0.791 -0.383 1.00 0.66 C ATOM 0 H MET A 127 7.161 2.235 1.964 1.00 0.38 H new ATOM 0 HA MET A 127 6.617 0.234 -0.129 1.00 0.46 H new ATOM 0 HB2 MET A 127 4.579 0.932 0.771 1.00 0.65 H new ATOM 0 HB3 MET A 127 5.128 2.578 1.022 1.00 0.65 H new ATOM 0 HG2 MET A 127 5.023 3.056 -1.349 1.00 0.87 H new ATOM 0 HG3 MET A 127 4.727 1.372 -1.732 1.00 0.87 H new ATOM 0 HE1 MET A 127 1.192 0.664 -0.629 1.00 0.66 H new ATOM 0 HE2 MET A 127 2.836 0.049 -0.920 1.00 0.66 H new ATOM 0 HE3 MET A 127 2.387 0.659 0.690 1.00 0.66 H new ATOM 2264 N LYS A 128 7.431 1.583 -2.036 1.00 0.33 N ATOM 2265 CA LYS A 128 8.042 2.305 -3.127 1.00 0.35 C ATOM 2266 C LYS A 128 6.982 2.665 -4.148 1.00 0.35 C ATOM 2267 O LYS A 128 6.214 1.805 -4.590 1.00 0.44 O ATOM 2268 CB LYS A 128 9.157 1.480 -3.768 1.00 0.55 C ATOM 2269 CG LYS A 128 9.675 2.049 -5.081 1.00 0.82 C ATOM 2270 CD LYS A 128 10.902 1.295 -5.557 1.00 0.99 C ATOM 2271 CE LYS A 128 11.177 1.534 -7.032 1.00 1.42 C ATOM 2272 NZ LYS A 128 10.092 0.987 -7.892 1.00 2.20 N ATOM 0 H LYS A 128 7.079 0.658 -2.284 1.00 0.33 H new ATOM 0 HA LYS A 128 8.491 3.221 -2.742 1.00 0.35 H new ATOM 0 HB2 LYS A 128 9.987 1.403 -3.065 1.00 0.55 H new ATOM 0 HB3 LYS A 128 8.791 0.468 -3.942 1.00 0.55 H new ATOM 0 HG2 LYS A 128 8.893 1.993 -5.839 1.00 0.82 H new ATOM 0 HG3 LYS A 128 9.919 3.103 -4.953 1.00 0.82 H new ATOM 0 HD2 LYS A 128 11.768 1.604 -4.972 1.00 0.99 H new ATOM 0 HD3 LYS A 128 10.763 0.228 -5.382 1.00 0.99 H new ATOM 0 HE2 LYS A 128 11.281 2.604 -7.214 1.00 1.42 H new ATOM 0 HE3 LYS A 128 12.125 1.071 -7.305 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 10.510 0.444 -8.674 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 9.481 0.365 -7.326 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 9.527 1.770 -8.278 1.00 2.20 H new ATOM 2286 N MET A 129 6.922 3.949 -4.462 1.00 0.36 N ATOM 2287 CA MET A 129 6.013 4.476 -5.466 1.00 0.41 C ATOM 2288 C MET A 129 6.837 5.237 -6.492 1.00 0.35 C ATOM 2289 O MET A 129 7.538 6.185 -6.145 1.00 0.40 O ATOM 2290 CB MET A 129 4.993 5.411 -4.807 1.00 0.49 C ATOM 2291 CG MET A 129 4.292 4.795 -3.605 1.00 1.02 C ATOM 2292 SD MET A 129 3.520 6.021 -2.528 1.00 1.11 S ATOM 2293 CE MET A 129 2.222 6.650 -3.584 1.00 0.50 C ATOM 0 H MET A 129 7.507 4.660 -4.024 1.00 0.36 H new ATOM 0 HA MET A 129 5.469 3.665 -5.950 1.00 0.41 H new ATOM 0 HB2 MET A 129 5.499 6.324 -4.494 1.00 0.49 H new ATOM 0 HB3 MET A 129 4.245 5.698 -5.546 1.00 0.49 H new ATOM 0 HG2 MET A 129 3.531 4.097 -3.954 1.00 1.02 H new ATOM 0 HG3 MET A 129 5.014 4.217 -3.028 1.00 1.02 H new ATOM 0 HE1 MET A 129 2.322 7.731 -3.679 1.00 0.50 H new ATOM 0 HE2 MET A 129 2.300 6.191 -4.569 1.00 0.50 H new ATOM 0 HE3 MET A 129 1.251 6.412 -3.149 1.00 0.50 H new ATOM 2303 N SER A 130 6.788 4.816 -7.742 1.00 0.34 N ATOM 2304 CA SER A 130 7.665 5.384 -8.750 1.00 0.33 C ATOM 2305 C SER A 130 6.961 5.564 -10.087 1.00 0.33 C ATOM 2306 O SER A 130 6.405 4.616 -10.644 1.00 0.38 O ATOM 2307 CB SER A 130 8.904 4.503 -8.903 1.00 0.39 C ATOM 2308 OG SER A 130 8.566 3.127 -8.806 1.00 1.06 O ATOM 0 H SER A 130 6.157 4.090 -8.082 1.00 0.34 H new ATOM 0 HA SER A 130 7.964 6.378 -8.417 1.00 0.33 H new ATOM 0 HB2 SER A 130 9.376 4.698 -9.866 1.00 0.39 H new ATOM 0 HB3 SER A 130 9.633 4.757 -8.133 1.00 0.39 H new ATOM 0 HG SER A 130 7.751 2.953 -9.321 1.00 1.06 H new ATOM 2314 N TRP A 131 7.006 6.783 -10.596 1.00 0.32 N ATOM 2315 CA TRP A 131 6.347 7.118 -11.845 1.00 0.34 C ATOM 2316 C TRP A 131 7.230 8.034 -12.676 1.00 0.34 C ATOM 2317 O TRP A 131 7.696 9.065 -12.189 1.00 0.33 O ATOM 2318 CB TRP A 131 5.001 7.783 -11.558 1.00 0.36 C ATOM 2319 CG TRP A 131 4.150 7.987 -12.772 1.00 0.39 C ATOM 2320 CD1 TRP A 131 3.952 9.155 -13.446 1.00 0.46 C ATOM 2321 CD2 TRP A 131 3.379 6.993 -13.453 1.00 0.47 C ATOM 2322 NE1 TRP A 131 3.102 8.950 -14.504 1.00 0.52 N ATOM 2323 CE2 TRP A 131 2.738 7.629 -14.532 1.00 0.54 C ATOM 2324 CE3 TRP A 131 3.167 5.626 -13.256 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 1.902 6.945 -15.410 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 2.337 4.948 -14.128 1.00 0.73 C ATOM 2327 CH2 TRP A 131 1.715 5.608 -15.193 1.00 0.76 C ATOM 0 H TRP A 131 7.497 7.563 -10.158 1.00 0.32 H new ATOM 0 HA TRP A 131 6.172 6.204 -12.413 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.452 7.173 -10.841 1.00 0.36 H new ATOM 0 HB3 TRP A 131 5.178 8.749 -11.085 1.00 0.36 H new ATOM 0 HD1 TRP A 131 4.399 10.103 -13.186 1.00 0.46 H new ATOM 0 HE1 TRP A 131 2.792 9.665 -15.162 1.00 0.52 H new ATOM 0 HE3 TRP A 131 3.644 5.109 -12.437 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 1.419 7.452 -16.232 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 2.166 3.891 -13.985 1.00 0.73 H new ATOM 0 HH2 TRP A 131 1.073 5.049 -15.858 1.00 0.76 H new ATOM 2338 N LYS A 132 7.445 7.647 -13.932 1.00 0.37 N ATOM 2339 CA LYS A 132 8.325 8.370 -14.851 1.00 0.40 C ATOM 2340 C LYS A 132 9.667 8.722 -14.212 1.00 0.39 C ATOM 2341 O LYS A 132 10.135 9.859 -14.295 1.00 0.42 O ATOM 2342 CB LYS A 132 7.636 9.628 -15.390 1.00 0.44 C ATOM 2343 CG LYS A 132 6.399 9.327 -16.222 1.00 0.68 C ATOM 2344 CD LYS A 132 5.838 10.578 -16.882 1.00 1.22 C ATOM 2345 CE LYS A 132 5.469 11.641 -15.863 1.00 1.43 C ATOM 2346 NZ LYS A 132 4.821 12.819 -16.497 1.00 1.96 N ATOM 0 H LYS A 132 7.012 6.820 -14.343 1.00 0.37 H new ATOM 0 HA LYS A 132 8.532 7.700 -15.686 1.00 0.40 H new ATOM 0 HB2 LYS A 132 7.356 10.267 -14.553 1.00 0.44 H new ATOM 0 HB3 LYS A 132 8.345 10.191 -15.997 1.00 0.44 H new ATOM 0 HG2 LYS A 132 6.647 8.593 -16.989 1.00 0.68 H new ATOM 0 HG3 LYS A 132 5.635 8.879 -15.587 1.00 0.68 H new ATOM 0 HD2 LYS A 132 6.574 10.982 -17.577 1.00 1.22 H new ATOM 0 HD3 LYS A 132 4.957 10.315 -17.467 1.00 1.22 H new ATOM 0 HE2 LYS A 132 4.796 11.213 -15.120 1.00 1.43 H new ATOM 0 HE3 LYS A 132 6.366 11.962 -15.333 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 4.585 13.521 -15.766 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 5.472 13.244 -17.188 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 3.951 12.518 -16.981 1.00 1.96 H new ATOM 2360 N GLY A 133 10.283 7.735 -13.579 1.00 0.40 N ATOM 2361 CA GLY A 133 11.589 7.933 -12.977 1.00 0.42 C ATOM 2362 C GLY A 133 11.525 8.474 -11.562 1.00 0.40 C ATOM 2363 O GLY A 133 12.338 8.101 -10.716 1.00 0.53 O ATOM 0 H GLY A 133 9.901 6.795 -13.470 1.00 0.40 H new ATOM 0 HA2 GLY A 133 12.126 6.984 -12.971 1.00 0.42 H new ATOM 0 HA3 GLY A 133 12.165 8.621 -13.595 1.00 0.42 H new ATOM 2367 N VAL A 134 10.560 9.346 -11.298 1.00 0.35 N ATOM 2368 CA VAL A 134 10.446 9.978 -9.992 1.00 0.34 C ATOM 2369 C VAL A 134 9.908 8.984 -8.972 1.00 0.36 C ATOM 2370 O VAL A 134 8.753 8.557 -9.045 1.00 0.40 O ATOM 2371 CB VAL A 134 9.536 11.225 -10.030 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.611 11.982 -8.711 1.00 0.38 C ATOM 2373 CG2 VAL A 134 9.914 12.131 -11.192 1.00 0.43 C ATOM 0 H VAL A 134 9.847 9.630 -11.970 1.00 0.35 H new ATOM 0 HA VAL A 134 11.445 10.301 -9.701 1.00 0.34 H new ATOM 0 HB VAL A 134 8.508 10.894 -10.177 1.00 0.38 H new ATOM 0 HG11 VAL A 134 8.963 12.857 -8.757 1.00 0.38 H new ATOM 0 HG12 VAL A 134 9.285 11.332 -7.899 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.638 12.300 -8.532 1.00 0.38 H new ATOM 0 HG21 VAL A 134 9.261 13.003 -11.201 1.00 0.43 H new ATOM 0 HG22 VAL A 134 10.949 12.454 -11.080 1.00 0.43 H new ATOM 0 HG23 VAL A 134 9.803 11.586 -12.129 1.00 0.43 H new ATOM 2383 N SER A 135 10.762 8.598 -8.040 1.00 0.38 N ATOM 2384 CA SER A 135 10.414 7.618 -7.039 1.00 0.42 C ATOM 2385 C SER A 135 10.313 8.239 -5.653 1.00 0.40 C ATOM 2386 O SER A 135 11.076 9.142 -5.302 1.00 0.51 O ATOM 2387 CB SER A 135 11.466 6.517 -7.045 1.00 0.50 C ATOM 2388 OG SER A 135 12.683 6.981 -7.607 1.00 1.14 O ATOM 0 H SER A 135 11.713 8.957 -7.960 1.00 0.38 H new ATOM 0 HA SER A 135 9.434 7.206 -7.280 1.00 0.42 H new ATOM 0 HB2 SER A 135 11.640 6.170 -6.027 1.00 0.50 H new ATOM 0 HB3 SER A 135 11.100 5.663 -7.615 1.00 0.50 H new ATOM 0 HG SER A 135 13.344 6.257 -7.599 1.00 1.14 H new ATOM 2394 N THR A 136 9.367 7.753 -4.875 1.00 0.35 N ATOM 2395 CA THR A 136 9.208 8.178 -3.498 1.00 0.34 C ATOM 2396 C THR A 136 9.114 6.964 -2.580 1.00 0.31 C ATOM 2397 O THR A 136 8.504 5.948 -2.932 1.00 0.34 O ATOM 2398 CB THR A 136 7.960 9.075 -3.317 1.00 0.38 C ATOM 2399 OG1 THR A 136 7.824 9.468 -1.946 1.00 0.40 O ATOM 2400 CG2 THR A 136 6.694 8.366 -3.762 1.00 0.39 C ATOM 0 H THR A 136 8.688 7.054 -5.178 1.00 0.35 H new ATOM 0 HA THR A 136 10.085 8.767 -3.231 1.00 0.34 H new ATOM 0 HB THR A 136 8.100 9.957 -3.942 1.00 0.38 H new ATOM 0 HG1 THR A 136 8.701 9.443 -1.510 1.00 0.40 H new ATOM 0 HG21 THR A 136 5.838 9.026 -3.620 1.00 0.39 H new ATOM 0 HG22 THR A 136 6.777 8.101 -4.816 1.00 0.39 H new ATOM 0 HG23 THR A 136 6.556 7.461 -3.170 1.00 0.39 H new ATOM 2408 N SER A 137 9.750 7.058 -1.423 1.00 0.33 N ATOM 2409 CA SER A 137 9.695 5.990 -0.444 1.00 0.32 C ATOM 2410 C SER A 137 8.733 6.363 0.675 1.00 0.31 C ATOM 2411 O SER A 137 8.919 7.367 1.369 1.00 0.40 O ATOM 2412 CB SER A 137 11.086 5.702 0.117 1.00 0.39 C ATOM 2413 OG SER A 137 12.042 5.600 -0.927 1.00 0.79 O ATOM 0 H SER A 137 10.309 7.863 -1.141 1.00 0.33 H new ATOM 0 HA SER A 137 9.334 5.085 -0.932 1.00 0.32 H new ATOM 0 HB2 SER A 137 11.376 6.496 0.805 1.00 0.39 H new ATOM 0 HB3 SER A 137 11.067 4.775 0.690 1.00 0.39 H new ATOM 0 HG SER A 137 12.926 5.417 -0.545 1.00 0.79 H new ATOM 2419 N ARG A 138 7.700 5.561 0.824 1.00 0.35 N ATOM 2420 CA ARG A 138 6.684 5.781 1.837 1.00 0.44 C ATOM 2421 C ARG A 138 7.006 4.918 3.058 1.00 0.39 C ATOM 2422 O ARG A 138 6.921 3.691 2.992 1.00 0.43 O ATOM 2423 CB ARG A 138 5.318 5.409 1.254 1.00 0.63 C ATOM 2424 CG ARG A 138 4.144 6.183 1.824 1.00 1.08 C ATOM 2425 CD ARG A 138 4.104 7.617 1.320 1.00 0.88 C ATOM 2426 NE ARG A 138 2.796 8.225 1.560 1.00 0.82 N ATOM 2427 CZ ARG A 138 2.604 9.496 1.922 1.00 1.07 C ATOM 2428 NH1 ARG A 138 3.634 10.321 2.045 1.00 1.84 N ATOM 2429 NH2 ARG A 138 1.377 9.943 2.152 1.00 1.63 N ATOM 0 H ARG A 138 7.539 4.736 0.246 1.00 0.35 H new ATOM 0 HA ARG A 138 6.664 6.827 2.143 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.346 5.564 0.175 1.00 0.63 H new ATOM 0 HB3 ARG A 138 5.147 4.345 1.419 1.00 0.63 H new ATOM 0 HG2 ARG A 138 3.215 5.680 1.557 1.00 1.08 H new ATOM 0 HG3 ARG A 138 4.205 6.183 2.912 1.00 1.08 H new ATOM 0 HD2 ARG A 138 4.877 8.202 1.818 1.00 0.88 H new ATOM 0 HD3 ARG A 138 4.327 7.637 0.253 1.00 0.88 H new ATOM 0 HE ARG A 138 1.971 7.636 1.443 1.00 0.82 H new ATOM 0 HH11 ARG A 138 4.580 9.986 1.863 1.00 1.84 H new ATOM 0 HH12 ARG A 138 3.481 11.291 2.322 1.00 1.84 H new ATOM 0 HH21 ARG A 138 0.579 9.316 2.052 1.00 1.63 H new ATOM 0 HH22 ARG A 138 1.231 10.914 2.428 1.00 1.63 H new ATOM 2443 N TYR A 139 7.396 5.551 4.156 1.00 0.39 N ATOM 2444 CA TYR A 139 7.883 4.823 5.325 1.00 0.36 C ATOM 2445 C TYR A 139 6.785 4.610 6.356 1.00 0.34 C ATOM 2446 O TYR A 139 6.319 5.557 6.991 1.00 0.39 O ATOM 2447 CB TYR A 139 9.049 5.568 5.973 1.00 0.42 C ATOM 2448 CG TYR A 139 10.256 5.708 5.078 1.00 0.44 C ATOM 2449 CD1 TYR A 139 10.443 6.845 4.309 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.206 4.699 5.004 1.00 0.50 C ATOM 2451 CE1 TYR A 139 11.545 6.976 3.486 1.00 0.52 C ATOM 2452 CE2 TYR A 139 12.310 4.821 4.187 1.00 0.56 C ATOM 2453 CZ TYR A 139 12.475 5.961 3.431 1.00 0.56 C ATOM 2454 OH TYR A 139 13.573 6.086 2.612 1.00 0.64 O ATOM 0 H TYR A 139 7.386 6.565 4.264 1.00 0.39 H new ATOM 0 HA TYR A 139 8.220 3.847 4.977 1.00 0.36 H new ATOM 0 HB2 TYR A 139 8.713 6.561 6.271 1.00 0.42 H new ATOM 0 HB3 TYR A 139 9.342 5.044 6.883 1.00 0.42 H new ATOM 0 HD1 TYR A 139 9.716 7.642 4.354 1.00 0.46 H new ATOM 0 HD2 TYR A 139 11.079 3.804 5.595 1.00 0.50 H new ATOM 0 HE1 TYR A 139 11.676 7.867 2.890 1.00 0.52 H new ATOM 0 HE2 TYR A 139 13.041 4.028 4.140 1.00 0.56 H new ATOM 0 HH TYR A 139 14.132 5.285 2.689 1.00 0.64 H new ATOM 2464 N TYR A 140 6.391 3.361 6.523 1.00 0.29 N ATOM 2465 CA TYR A 140 5.390 2.997 7.506 1.00 0.27 C ATOM 2466 C TYR A 140 6.030 2.275 8.679 1.00 0.29 C ATOM 2467 O TYR A 140 6.894 1.422 8.502 1.00 0.37 O ATOM 2468 CB TYR A 140 4.320 2.105 6.876 1.00 0.27 C ATOM 2469 CG TYR A 140 3.389 2.833 5.939 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.111 3.186 6.348 1.00 0.39 C ATOM 2471 CD2 TYR A 140 3.786 3.171 4.651 1.00 0.45 C ATOM 2472 CE1 TYR A 140 1.254 3.854 5.501 1.00 0.48 C ATOM 2473 CE2 TYR A 140 2.933 3.839 3.799 1.00 0.52 C ATOM 2474 CZ TYR A 140 1.668 4.179 4.229 1.00 0.48 C ATOM 2475 OH TYR A 140 0.811 4.854 3.396 1.00 0.60 O ATOM 0 H TYR A 140 6.754 2.575 5.984 1.00 0.29 H new ATOM 0 HA TYR A 140 4.922 3.913 7.867 1.00 0.27 H new ATOM 0 HB2 TYR A 140 4.809 1.298 6.331 1.00 0.27 H new ATOM 0 HB3 TYR A 140 3.733 1.644 7.670 1.00 0.27 H new ATOM 0 HD1 TYR A 140 1.783 2.933 7.345 1.00 0.39 H new ATOM 0 HD2 TYR A 140 4.777 2.907 4.313 1.00 0.45 H new ATOM 0 HE1 TYR A 140 0.262 4.121 5.833 1.00 0.48 H new ATOM 0 HE2 TYR A 140 3.254 4.095 2.800 1.00 0.52 H new ATOM 0 HH TYR A 140 1.249 5.011 2.534 1.00 0.60 H new ATOM 2485 N LYS A 141 5.615 2.632 9.873 1.00 0.37 N ATOM 2486 CA LYS A 141 6.031 1.926 11.067 1.00 0.48 C ATOM 2487 C LYS A 141 4.823 1.219 11.638 1.00 0.45 C ATOM 2488 O LYS A 141 3.723 1.542 11.250 1.00 0.54 O ATOM 2489 CB LYS A 141 6.593 2.884 12.097 1.00 0.69 C ATOM 2490 CG LYS A 141 5.570 3.846 12.660 1.00 0.72 C ATOM 2491 CD LYS A 141 5.769 4.013 14.146 1.00 0.97 C ATOM 2492 CE LYS A 141 7.208 4.378 14.454 1.00 1.45 C ATOM 2493 NZ LYS A 141 7.464 4.465 15.915 1.00 1.92 N ATOM 0 H LYS A 141 4.984 3.414 10.045 1.00 0.37 H new ATOM 0 HA LYS A 141 6.814 1.212 10.812 1.00 0.48 H new ATOM 0 HB2 LYS A 141 7.026 2.309 12.916 1.00 0.69 H new ATOM 0 HB3 LYS A 141 7.404 3.455 11.644 1.00 0.69 H new ATOM 0 HG2 LYS A 141 5.658 4.812 12.164 1.00 0.72 H new ATOM 0 HG3 LYS A 141 4.564 3.476 12.460 1.00 0.72 H new ATOM 0 HD2 LYS A 141 5.103 4.789 14.523 1.00 0.97 H new ATOM 0 HD3 LYS A 141 5.505 3.089 14.660 1.00 0.97 H new ATOM 0 HE2 LYS A 141 7.872 3.634 14.014 1.00 1.45 H new ATOM 0 HE3 LYS A 141 7.447 5.334 13.987 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 8.460 4.717 16.079 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 6.850 5.193 16.332 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 7.262 3.546 16.358 1.00 1.92 H new ATOM 2507 N LYS A 142 5.020 0.253 12.518 1.00 0.44 N ATOM 2508 CA LYS A 142 3.909 -0.388 13.236 1.00 0.43 C ATOM 2509 C LYS A 142 2.899 0.653 13.774 1.00 0.36 C ATOM 2510 O LYS A 142 3.182 1.851 13.822 1.00 0.34 O ATOM 2511 CB LYS A 142 4.499 -1.207 14.399 1.00 0.54 C ATOM 2512 CG LYS A 142 3.482 -1.915 15.287 1.00 0.87 C ATOM 2513 CD LYS A 142 2.797 -3.066 14.570 1.00 1.30 C ATOM 2514 CE LYS A 142 1.900 -3.860 15.511 1.00 1.43 C ATOM 2515 NZ LYS A 142 0.790 -3.037 16.065 1.00 2.13 N ATOM 0 H LYS A 142 5.941 -0.113 12.760 1.00 0.44 H new ATOM 0 HA LYS A 142 3.365 -1.034 12.548 1.00 0.43 H new ATOM 0 HB2 LYS A 142 5.177 -1.954 13.987 1.00 0.54 H new ATOM 0 HB3 LYS A 142 5.098 -0.542 15.021 1.00 0.54 H new ATOM 0 HG2 LYS A 142 3.981 -2.291 16.180 1.00 0.87 H new ATOM 0 HG3 LYS A 142 2.731 -1.198 15.620 1.00 0.87 H new ATOM 0 HD2 LYS A 142 2.204 -2.678 13.742 1.00 1.30 H new ATOM 0 HD3 LYS A 142 3.550 -3.727 14.140 1.00 1.30 H new ATOM 0 HE2 LYS A 142 1.484 -4.714 14.977 1.00 1.43 H new ATOM 0 HE3 LYS A 142 2.499 -4.257 16.331 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 0.218 -3.616 16.712 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 1.184 -2.226 16.583 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 0.191 -2.693 15.287 1.00 2.13 H new ATOM 2529 N GLN A 143 1.677 0.234 14.055 1.00 0.44 N ATOM 2530 CA GLN A 143 0.848 1.010 14.961 1.00 0.53 C ATOM 2531 C GLN A 143 1.152 0.625 16.401 1.00 0.68 C ATOM 2532 O GLN A 143 0.727 -0.469 16.821 1.00 1.46 O ATOM 2533 CB GLN A 143 -0.630 0.799 14.680 1.00 0.55 C ATOM 2534 CG GLN A 143 -1.042 1.211 13.287 1.00 0.63 C ATOM 2535 CD GLN A 143 -2.381 1.892 13.290 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -3.425 1.256 13.135 1.00 1.34 O ATOM 2537 NE2 GLN A 143 -2.351 3.191 13.500 1.00 1.28 N ATOM 2538 OXT GLN A 143 1.815 1.411 17.106 1.00 1.19 O ATOM 0 H GLN A 143 1.247 -0.612 13.682 1.00 0.44 H new ATOM 0 HA GLN A 143 1.078 2.064 14.804 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -0.873 -0.253 14.826 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -1.214 1.365 15.406 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -0.292 1.882 12.868 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -1.080 0.333 12.643 1.00 0.63 H new ATOM 0 HE21 GLN A 143 -1.457 3.667 13.622 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -3.221 3.721 13.541 1.00 1.28 H new