USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=47 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 124 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 130 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 135 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 22 TYR OH : rot 34:sc= 0.0293 USER MOD Set 3.2: A 116 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 129 MET CE :methyl -127:sc= -2.09 (180deg=-10!) USER MOD Set 4.1: A 86 THR OG1 : rot -139:sc= 1.59 USER MOD Set 4.2: A 88 HIS :FLIP no HE2:sc= -4.5! F(o=-4.2,f=-2.9!) USER MOD Set 5.1: A 43 LYS NZ :NH3+ 170:sc= 2.03 (180deg=0) USER MOD Set 5.2: A 58 MET CE :methyl -117:sc= -1.69 (180deg=-0.0388) USER MOD Set 5.3: A 60 ASN : amide:sc= 0.982 K(o=0.47,f=-14!) USER MOD Set 5.4: A 67 THR OG1 : rot -170:sc= -1.76! USER MOD Set 5.5: A 118 TYR OH : rot 174:sc= 1.99 USER MOD Set 5.6: A 127 MET CE :methyl -148:sc= -1.08 (180deg=-1.57) USER MOD Single : A 2 THR OG1 : rot 31:sc= 0.33 USER MOD Single : A 6 LYS NZ :NH3+ 158:sc= -0.299 (180deg=-1.03) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.478 F(o=-2.1,f=-0.48) USER MOD Single : A 24 LYS NZ :NH3+ 172:sc=-0.00733 (180deg=-0.106) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -150:sc= -0.141 (180deg=-0.779) USER MOD Single : A 34 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.15) 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+ -155:sc= -1.39 (180deg=-2.62!) USER MOD Single : A 47 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.059) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0445 USER MOD Single : A 52 LYS NZ :NH3+ 166:sc= 1.2 (180deg=0.948) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.207 USER MOD Single : A 62 THR OG1 : rot -109:sc= 2 USER MOD Single : A 63 THR OG1 : rot 170:sc= -0.452 USER MOD Single : A 64 LYS NZ :NH3+ 145:sc= -0.792 (180deg=-2.29!) USER MOD Single : A 65 LYS NZ :NH3+ -131:sc= 0.477 (180deg=-0.0342) USER MOD Single : A 68 HIS : no HD1:sc= -1.26! C(o=-1.3!,f=-6.1!) USER MOD Single : A 69 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-8.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.16) USER MOD Single : A 85 SER OG : rot -56:sc= 0.336 USER MOD Single : A 87 GLN :FLIP amide:sc= -0.0453 F(o=-2.7!,f=-0.045) USER MOD Single : A 89 LYS NZ :NH3+ 171:sc= 0.601 (180deg=0.559) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 164:sc= 1.01 (180deg=0.447) USER MOD Single : A 98 ASN : amide:sc= -1.4 K(o=-1.4,f=-3.1!) USER MOD Single : A 99 THR OG1 : rot 100:sc= 0.26 USER MOD Single : A 101 THR OG1 : rot 10:sc= 1.08 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : +bothHN:sc= -1.12! C(o=-1.1!,f=-11!) USER MOD Single : A 106 LYS NZ :NH3+ -164:sc= 0.576 (180deg=0.428) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ -164:sc= -0.0522 (180deg=-0.354) USER MOD Single : A 136 THR OG1 : rot 28:sc= 1.01 USER MOD Single : A 137 SER OG : rot 113:sc= 0.023 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 140 TYR OH : rot -150:sc= -0.456 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 GLN :FLIP amide:sc= -1.49 F(o=-5.2!,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 210 N THR A 2 2.196 -18.111 0.590 1.00 0.86 N ATOM 211 CA THR A 2 1.739 -17.639 1.882 1.00 0.81 C ATOM 212 C THR A 2 2.432 -16.332 2.251 1.00 0.66 C ATOM 213 O THR A 2 3.656 -16.211 2.139 1.00 0.64 O ATOM 214 CB THR A 2 1.982 -18.688 2.970 1.00 0.86 C ATOM 215 OG1 THR A 2 1.572 -19.978 2.488 1.00 0.99 O ATOM 216 CG2 THR A 2 1.204 -18.351 4.229 1.00 0.92 C ATOM 0 HA THR A 2 0.666 -17.461 1.811 1.00 0.81 H new ATOM 0 HB THR A 2 3.045 -18.699 3.211 1.00 0.86 H new ATOM 0 HG1 THR A 2 1.703 -20.021 1.518 1.00 0.99 H new ATOM 0 HG21 THR A 2 1.393 -19.111 4.988 1.00 0.92 H new ATOM 0 HG22 THR A 2 1.521 -17.378 4.603 1.00 0.92 H new ATOM 0 HG23 THR A 2 0.138 -18.322 4.001 1.00 0.92 H new ATOM 224 N LEU A 3 1.635 -15.360 2.667 1.00 0.59 N ATOM 225 CA LEU A 3 2.138 -14.030 2.974 1.00 0.50 C ATOM 226 C LEU A 3 3.056 -14.062 4.185 1.00 0.49 C ATOM 227 O LEU A 3 2.646 -14.471 5.275 1.00 0.53 O ATOM 228 CB LEU A 3 0.997 -13.049 3.246 1.00 0.49 C ATOM 229 CG LEU A 3 0.895 -11.846 2.299 1.00 0.35 C ATOM 230 CD1 LEU A 3 0.102 -10.737 2.956 1.00 0.51 C ATOM 231 CD2 LEU A 3 2.265 -11.327 1.900 1.00 0.49 C ATOM 0 H LEU A 3 0.630 -15.469 2.801 1.00 0.59 H new ATOM 0 HA LEU A 3 2.696 -13.694 2.100 1.00 0.50 H new ATOM 0 HB2 LEU A 3 0.056 -13.598 3.204 1.00 0.49 H new ATOM 0 HB3 LEU A 3 1.103 -12.675 4.264 1.00 0.49 H new ATOM 0 HG LEU A 3 0.385 -12.179 1.395 1.00 0.35 H new ATOM 0 HD11 LEU A 3 0.034 -9.887 2.277 1.00 0.51 H new ATOM 0 HD12 LEU A 3 -0.900 -11.096 3.190 1.00 0.51 H new ATOM 0 HD13 LEU A 3 0.600 -10.429 3.875 1.00 0.51 H new ATOM 0 HD21 LEU A 3 2.150 -10.475 1.229 1.00 0.49 H new ATOM 0 HD22 LEU A 3 2.810 -11.016 2.791 1.00 0.49 H new ATOM 0 HD23 LEU A 3 2.819 -12.116 1.393 1.00 0.49 H new ATOM 243 N PRO A 4 4.311 -13.642 4.001 1.00 0.50 N ATOM 244 CA PRO A 4 5.249 -13.468 5.103 1.00 0.54 C ATOM 245 C PRO A 4 4.681 -12.518 6.146 1.00 0.47 C ATOM 246 O PRO A 4 4.353 -11.368 5.838 1.00 0.42 O ATOM 247 CB PRO A 4 6.489 -12.858 4.441 1.00 0.60 C ATOM 248 CG PRO A 4 6.381 -13.227 3.000 1.00 0.61 C ATOM 249 CD PRO A 4 4.910 -13.309 2.698 1.00 0.52 C ATOM 0 HA PRO A 4 5.464 -14.402 5.622 1.00 0.54 H new ATOM 0 HB2 PRO A 4 6.513 -11.776 4.570 1.00 0.60 H new ATOM 0 HB3 PRO A 4 7.405 -13.252 4.881 1.00 0.60 H new ATOM 0 HG2 PRO A 4 6.867 -12.482 2.370 1.00 0.61 H new ATOM 0 HG3 PRO A 4 6.873 -14.180 2.804 1.00 0.61 H new ATOM 0 HD2 PRO A 4 4.527 -12.366 2.309 1.00 0.52 H new ATOM 0 HD3 PRO A 4 4.695 -14.073 1.950 1.00 0.52 H new ATOM 257 N ASP A 5 4.550 -13.013 7.375 1.00 0.51 N ATOM 258 CA ASP A 5 4.001 -12.235 8.492 1.00 0.51 C ATOM 259 C ASP A 5 4.729 -10.907 8.657 1.00 0.45 C ATOM 260 O ASP A 5 4.191 -9.954 9.217 1.00 0.44 O ATOM 261 CB ASP A 5 4.089 -13.043 9.790 1.00 0.63 C ATOM 262 CG ASP A 5 3.461 -12.341 10.978 1.00 1.50 C ATOM 263 OD1 ASP A 5 2.219 -12.393 11.120 1.00 2.09 O ATOM 264 OD2 ASP A 5 4.205 -11.758 11.796 1.00 2.19 O ATOM 0 H ASP A 5 4.820 -13.963 7.628 1.00 0.51 H new ATOM 0 HA ASP A 5 2.956 -12.021 8.268 1.00 0.51 H new ATOM 0 HB2 ASP A 5 3.598 -14.005 9.645 1.00 0.63 H new ATOM 0 HB3 ASP A 5 5.136 -13.249 10.011 1.00 0.63 H new ATOM 269 N LYS A 6 5.957 -10.856 8.158 1.00 0.45 N ATOM 270 CA LYS A 6 6.767 -9.647 8.191 1.00 0.45 C ATOM 271 C LYS A 6 6.053 -8.462 7.526 1.00 0.38 C ATOM 272 O LYS A 6 6.338 -7.312 7.846 1.00 0.42 O ATOM 273 CB LYS A 6 8.114 -9.892 7.499 1.00 0.56 C ATOM 274 CG LYS A 6 8.753 -11.234 7.844 1.00 1.10 C ATOM 275 CD LYS A 6 9.023 -11.392 9.337 1.00 1.64 C ATOM 276 CE LYS A 6 10.410 -10.904 9.736 1.00 2.01 C ATOM 277 NZ LYS A 6 10.576 -9.438 9.559 1.00 2.53 N ATOM 0 H LYS A 6 6.419 -11.652 7.719 1.00 0.45 H new ATOM 0 HA LYS A 6 6.933 -9.395 9.238 1.00 0.45 H new ATOM 0 HB2 LYS A 6 7.972 -9.835 6.420 1.00 0.56 H new ATOM 0 HB3 LYS A 6 8.802 -9.092 7.772 1.00 0.56 H new ATOM 0 HG2 LYS A 6 8.099 -12.040 7.510 1.00 1.10 H new ATOM 0 HG3 LYS A 6 9.690 -11.337 7.297 1.00 1.10 H new ATOM 0 HD2 LYS A 6 8.271 -10.838 9.899 1.00 1.64 H new ATOM 0 HD3 LYS A 6 8.918 -12.441 9.613 1.00 1.64 H new ATOM 0 HE2 LYS A 6 10.596 -11.163 10.778 1.00 2.01 H new ATOM 0 HE3 LYS A 6 11.159 -11.425 9.140 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 11.351 -9.101 10.165 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 10.799 -9.231 8.564 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 9.694 -8.954 9.824 1.00 2.53 H new ATOM 291 N PHE A 7 5.121 -8.729 6.610 1.00 0.36 N ATOM 292 CA PHE A 7 4.399 -7.651 5.942 1.00 0.35 C ATOM 293 C PHE A 7 3.079 -7.368 6.638 1.00 0.32 C ATOM 294 O PHE A 7 2.379 -6.426 6.280 1.00 0.35 O ATOM 295 CB PHE A 7 4.114 -8.002 4.480 1.00 0.39 C ATOM 296 CG PHE A 7 5.339 -8.219 3.642 1.00 0.42 C ATOM 297 CD1 PHE A 7 6.373 -7.298 3.664 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.458 -9.341 2.840 1.00 0.48 C ATOM 299 CE1 PHE A 7 7.504 -7.492 2.900 1.00 0.60 C ATOM 300 CE2 PHE A 7 6.587 -9.538 2.072 1.00 0.54 C ATOM 301 CZ PHE A 7 7.595 -8.625 2.087 1.00 0.57 C ATOM 0 H PHE A 7 4.853 -9.669 6.318 1.00 0.36 H new ATOM 0 HA PHE A 7 5.034 -6.766 5.987 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.503 -8.904 4.449 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.523 -7.201 4.036 1.00 0.39 H new ATOM 0 HD1 PHE A 7 6.293 -6.419 4.286 1.00 0.52 H new ATOM 0 HD2 PHE A 7 4.660 -10.068 2.815 1.00 0.48 H new ATOM 0 HE1 PHE A 7 8.312 -6.776 2.929 1.00 0.60 H new ATOM 0 HE2 PHE A 7 6.671 -10.421 1.456 1.00 0.54 H new ATOM 0 HZ PHE A 7 8.468 -8.776 1.469 1.00 0.57 H new ATOM 311 N LEU A 8 2.753 -8.166 7.643 1.00 0.30 N ATOM 312 CA LEU A 8 1.437 -8.113 8.248 1.00 0.29 C ATOM 313 C LEU A 8 1.434 -7.230 9.488 1.00 0.29 C ATOM 314 O LEU A 8 2.472 -7.017 10.118 1.00 0.33 O ATOM 315 CB LEU A 8 0.967 -9.527 8.600 1.00 0.34 C ATOM 316 CG LEU A 8 0.900 -10.490 7.411 1.00 0.37 C ATOM 317 CD1 LEU A 8 0.480 -11.874 7.859 1.00 0.46 C ATOM 318 CD2 LEU A 8 -0.057 -9.970 6.356 1.00 0.35 C ATOM 0 H LEU A 8 3.382 -8.856 8.054 1.00 0.30 H new ATOM 0 HA LEU A 8 0.747 -7.675 7.526 1.00 0.29 H new ATOM 0 HB2 LEU A 8 1.639 -9.943 9.350 1.00 0.34 H new ATOM 0 HB3 LEU A 8 -0.021 -9.464 9.056 1.00 0.34 H new ATOM 0 HG LEU A 8 1.898 -10.557 6.977 1.00 0.37 H new ATOM 0 HD11 LEU A 8 0.440 -12.539 6.996 1.00 0.46 H new ATOM 0 HD12 LEU A 8 1.202 -12.258 8.580 1.00 0.46 H new ATOM 0 HD13 LEU A 8 -0.505 -11.823 8.324 1.00 0.46 H new ATOM 0 HD21 LEU A 8 -0.091 -10.668 5.520 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -1.054 -9.871 6.786 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.284 -8.997 6.003 1.00 0.35 H new ATOM 330 N GLY A 9 0.263 -6.714 9.818 1.00 0.32 N ATOM 331 CA GLY A 9 0.110 -5.872 10.979 1.00 0.33 C ATOM 332 C GLY A 9 -0.513 -4.535 10.641 1.00 0.31 C ATOM 333 O GLY A 9 -0.812 -4.254 9.479 1.00 0.52 O ATOM 0 H GLY A 9 -0.597 -6.868 9.291 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.509 -6.383 11.716 1.00 0.33 H new ATOM 0 HA3 GLY A 9 1.085 -5.710 11.439 1.00 0.33 H new ATOM 337 N THR A 10 -0.734 -3.721 11.661 1.00 0.34 N ATOM 338 CA THR A 10 -1.238 -2.377 11.479 1.00 0.35 C ATOM 339 C THR A 10 -0.083 -1.390 11.597 1.00 0.32 C ATOM 340 O THR A 10 0.657 -1.422 12.577 1.00 0.40 O ATOM 341 CB THR A 10 -2.299 -2.054 12.539 1.00 0.38 C ATOM 342 OG1 THR A 10 -3.076 -3.226 12.814 1.00 1.05 O ATOM 343 CG2 THR A 10 -3.219 -0.952 12.058 1.00 0.99 C ATOM 0 H THR A 10 -0.568 -3.976 12.635 1.00 0.34 H new ATOM 0 HA THR A 10 -1.695 -2.299 10.493 1.00 0.35 H new ATOM 0 HB THR A 10 -1.791 -1.721 13.444 1.00 0.38 H new ATOM 0 HG1 THR A 10 -3.752 -3.019 13.492 1.00 1.05 H new ATOM 0 HG21 THR A 10 -3.964 -0.739 12.825 1.00 0.99 H new ATOM 0 HG22 THR A 10 -2.636 -0.053 11.858 1.00 0.99 H new ATOM 0 HG23 THR A 10 -3.720 -1.270 11.144 1.00 0.99 H new ATOM 351 N PHE A 11 0.094 -0.544 10.594 1.00 0.27 N ATOM 352 CA PHE A 11 1.246 0.349 10.555 1.00 0.27 C ATOM 353 C PHE A 11 0.856 1.831 10.566 1.00 0.28 C ATOM 354 O PHE A 11 0.054 2.268 9.735 1.00 0.32 O ATOM 355 CB PHE A 11 2.069 0.058 9.293 1.00 0.31 C ATOM 356 CG PHE A 11 2.503 -1.376 9.157 1.00 0.33 C ATOM 357 CD1 PHE A 11 3.555 -1.869 9.912 1.00 0.42 C ATOM 358 CD2 PHE A 11 1.861 -2.230 8.277 1.00 0.38 C ATOM 359 CE1 PHE A 11 3.958 -3.186 9.790 1.00 0.47 C ATOM 360 CE2 PHE A 11 2.258 -3.546 8.150 1.00 0.43 C ATOM 361 CZ PHE A 11 3.308 -4.025 8.907 1.00 0.44 C ATOM 0 H PHE A 11 -0.540 -0.456 9.800 1.00 0.27 H new ATOM 0 HA PHE A 11 1.828 0.160 11.457 1.00 0.27 H new ATOM 0 HB2 PHE A 11 1.480 0.332 8.418 1.00 0.31 H new ATOM 0 HB3 PHE A 11 2.953 0.695 9.295 1.00 0.31 H new ATOM 0 HD1 PHE A 11 4.066 -1.217 10.604 1.00 0.42 H new ATOM 0 HD2 PHE A 11 1.038 -1.862 7.682 1.00 0.38 H new ATOM 0 HE1 PHE A 11 4.780 -3.558 10.384 1.00 0.47 H new ATOM 0 HE2 PHE A 11 1.747 -4.200 7.459 1.00 0.43 H new ATOM 0 HZ PHE A 11 3.621 -5.054 8.809 1.00 0.44 H new ATOM 371 N LYS A 12 1.431 2.611 11.509 1.00 0.29 N ATOM 372 CA LYS A 12 1.340 4.072 11.456 1.00 0.33 C ATOM 373 C LYS A 12 2.176 4.618 10.298 1.00 0.27 C ATOM 374 O LYS A 12 2.819 3.866 9.569 1.00 0.69 O ATOM 375 CB LYS A 12 1.856 4.705 12.756 1.00 0.48 C ATOM 376 CG LYS A 12 0.892 4.631 13.925 1.00 0.78 C ATOM 377 CD LYS A 12 1.474 5.271 15.179 1.00 1.28 C ATOM 378 CE LYS A 12 2.751 4.582 15.634 1.00 1.72 C ATOM 379 NZ LYS A 12 3.345 5.243 16.827 1.00 2.19 N ATOM 0 H LYS A 12 1.956 2.250 12.305 1.00 0.29 H new ATOM 0 HA LYS A 12 0.289 4.326 11.316 1.00 0.33 H new ATOM 0 HB2 LYS A 12 2.787 4.213 13.039 1.00 0.48 H new ATOM 0 HB3 LYS A 12 2.094 5.751 12.565 1.00 0.48 H new ATOM 0 HG2 LYS A 12 -0.040 5.131 13.660 1.00 0.78 H new ATOM 0 HG3 LYS A 12 0.647 3.589 14.129 1.00 0.78 H new ATOM 0 HD2 LYS A 12 1.680 6.324 14.986 1.00 1.28 H new ATOM 0 HD3 LYS A 12 0.737 5.232 15.981 1.00 1.28 H new ATOM 0 HE2 LYS A 12 2.537 3.539 15.866 1.00 1.72 H new ATOM 0 HE3 LYS A 12 3.475 4.585 14.819 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 4.213 4.743 17.105 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 3.573 6.232 16.599 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 2.664 5.217 17.613 1.00 2.19 H new ATOM 393 N LEU A 13 2.226 5.937 10.189 1.00 0.60 N ATOM 394 CA LEU A 13 2.948 6.596 9.112 1.00 0.50 C ATOM 395 C LEU A 13 3.895 7.609 9.729 1.00 0.46 C ATOM 396 O LEU A 13 3.456 8.578 10.354 1.00 0.52 O ATOM 397 CB LEU A 13 1.966 7.289 8.147 1.00 0.52 C ATOM 398 CG LEU A 13 2.532 7.708 6.778 1.00 0.55 C ATOM 399 CD1 LEU A 13 1.412 8.182 5.877 1.00 1.14 C ATOM 400 CD2 LEU A 13 3.575 8.808 6.904 1.00 1.04 C ATOM 0 H LEU A 13 1.771 6.577 10.840 1.00 0.60 H new ATOM 0 HA LEU A 13 3.511 5.862 8.536 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.123 6.619 7.978 1.00 0.52 H new ATOM 0 HB3 LEU A 13 1.572 8.178 8.640 1.00 0.52 H new ATOM 0 HG LEU A 13 3.016 6.832 6.346 1.00 0.55 H new ATOM 0 HD11 LEU A 13 1.822 8.476 4.911 1.00 1.14 H new ATOM 0 HD12 LEU A 13 0.693 7.375 5.735 1.00 1.14 H new ATOM 0 HD13 LEU A 13 0.913 9.036 6.335 1.00 1.14 H new ATOM 0 HD21 LEU A 13 3.947 9.072 5.914 1.00 1.04 H new ATOM 0 HD22 LEU A 13 3.124 9.685 7.368 1.00 1.04 H new ATOM 0 HD23 LEU A 13 4.402 8.456 7.520 1.00 1.04 H new ATOM 412 N GLU A 14 5.190 7.384 9.578 1.00 0.45 N ATOM 413 CA GLU A 14 6.171 8.256 10.191 1.00 0.48 C ATOM 414 C GLU A 14 6.571 9.382 9.243 1.00 0.45 C ATOM 415 O GLU A 14 6.557 10.554 9.626 1.00 0.49 O ATOM 416 CB GLU A 14 7.397 7.453 10.624 1.00 0.55 C ATOM 417 CG GLU A 14 8.318 8.214 11.563 1.00 0.67 C ATOM 418 CD GLU A 14 7.594 8.724 12.795 1.00 1.17 C ATOM 419 OE1 GLU A 14 7.321 9.938 12.874 1.00 2.08 O ATOM 420 OE2 GLU A 14 7.289 7.907 13.691 1.00 1.56 O ATOM 0 H GLU A 14 5.581 6.611 9.040 1.00 0.45 H new ATOM 0 HA GLU A 14 5.721 8.708 11.075 1.00 0.48 H new ATOM 0 HB2 GLU A 14 7.067 6.537 11.114 1.00 0.55 H new ATOM 0 HB3 GLU A 14 7.959 7.156 9.738 1.00 0.55 H new ATOM 0 HG2 GLU A 14 9.138 7.564 11.869 1.00 0.67 H new ATOM 0 HG3 GLU A 14 8.761 9.056 11.030 1.00 0.67 H new ATOM 427 N ARG A 15 6.902 9.040 8.004 1.00 0.42 N ATOM 428 CA ARG A 15 7.380 10.034 7.051 1.00 0.44 C ATOM 429 C ARG A 15 7.373 9.480 5.629 1.00 0.37 C ATOM 430 O ARG A 15 6.799 8.422 5.363 1.00 0.38 O ATOM 431 CB ARG A 15 8.797 10.466 7.426 1.00 0.51 C ATOM 432 CG ARG A 15 9.819 9.354 7.304 1.00 0.53 C ATOM 433 CD ARG A 15 11.212 9.845 7.633 1.00 0.77 C ATOM 434 NE ARG A 15 11.625 10.949 6.764 1.00 1.68 N ATOM 435 CZ ARG A 15 12.892 11.290 6.539 1.00 2.34 C ATOM 436 NH1 ARG A 15 13.879 10.615 7.111 1.00 2.45 N ATOM 437 NH2 ARG A 15 13.170 12.313 5.742 1.00 3.36 N ATOM 0 H ARG A 15 6.849 8.090 7.637 1.00 0.42 H new ATOM 0 HA ARG A 15 6.710 10.893 7.088 1.00 0.44 H new ATOM 0 HB2 ARG A 15 9.097 11.296 6.786 1.00 0.51 H new ATOM 0 HB3 ARG A 15 8.796 10.837 8.451 1.00 0.51 H new ATOM 0 HG2 ARG A 15 9.552 8.537 7.974 1.00 0.53 H new ATOM 0 HG3 ARG A 15 9.803 8.953 6.291 1.00 0.53 H new ATOM 0 HD2 ARG A 15 11.245 10.170 8.673 1.00 0.77 H new ATOM 0 HD3 ARG A 15 11.919 9.022 7.534 1.00 0.77 H new ATOM 0 HE ARG A 15 10.895 11.491 6.302 1.00 1.68 H new ATOM 0 HH11 ARG A 15 13.670 9.830 7.727 1.00 2.45 H new ATOM 0 HH12 ARG A 15 14.848 10.881 6.935 1.00 2.45 H new ATOM 0 HH21 ARG A 15 12.414 12.837 5.302 1.00 3.36 H new ATOM 0 HH22 ARG A 15 14.140 12.575 5.569 1.00 3.36 H new ATOM 451 N ASP A 16 8.019 10.201 4.721 1.00 0.38 N ATOM 452 CA ASP A 16 8.073 9.813 3.320 1.00 0.43 C ATOM 453 C ASP A 16 9.422 10.190 2.719 1.00 0.39 C ATOM 454 O ASP A 16 10.315 10.657 3.428 1.00 0.52 O ATOM 455 CB ASP A 16 6.954 10.498 2.533 1.00 0.66 C ATOM 456 CG ASP A 16 7.181 11.992 2.372 1.00 0.68 C ATOM 457 OD1 ASP A 16 6.727 12.765 3.241 1.00 1.19 O ATOM 458 OD2 ASP A 16 7.821 12.398 1.380 1.00 0.72 O ATOM 0 H ASP A 16 8.517 11.065 4.934 1.00 0.38 H new ATOM 0 HA ASP A 16 7.942 8.733 3.259 1.00 0.43 H new ATOM 0 HB2 ASP A 16 6.874 10.038 1.548 1.00 0.66 H new ATOM 0 HB3 ASP A 16 6.004 10.331 3.040 1.00 0.66 H new ATOM 463 N GLU A 17 9.554 9.987 1.416 1.00 0.36 N ATOM 464 CA GLU A 17 10.764 10.345 0.691 1.00 0.38 C ATOM 465 C GLU A 17 10.439 10.593 -0.777 1.00 0.40 C ATOM 466 O GLU A 17 10.127 9.652 -1.501 1.00 0.83 O ATOM 467 CB GLU A 17 11.810 9.230 0.813 1.00 0.48 C ATOM 468 CG GLU A 17 13.050 9.449 -0.041 1.00 1.18 C ATOM 469 CD GLU A 17 14.037 8.305 0.063 1.00 1.83 C ATOM 470 OE1 GLU A 17 13.790 7.245 -0.548 1.00 2.66 O ATOM 471 OE2 GLU A 17 15.067 8.459 0.754 1.00 2.13 O ATOM 0 H GLU A 17 8.828 9.571 0.833 1.00 0.36 H new ATOM 0 HA GLU A 17 11.172 11.257 1.125 1.00 0.38 H new ATOM 0 HB2 GLU A 17 12.111 9.141 1.857 1.00 0.48 H new ATOM 0 HB3 GLU A 17 11.350 8.282 0.532 1.00 0.48 H new ATOM 0 HG2 GLU A 17 12.752 9.574 -1.082 1.00 1.18 H new ATOM 0 HG3 GLU A 17 13.538 10.374 0.264 1.00 1.18 H new ATOM 478 N ASN A 18 10.479 11.863 -1.196 1.00 0.34 N ATOM 479 CA ASN A 18 10.290 12.236 -2.607 1.00 0.30 C ATOM 480 C ASN A 18 8.838 11.988 -3.041 1.00 0.28 C ATOM 481 O ASN A 18 8.539 11.730 -4.214 1.00 0.27 O ATOM 482 CB ASN A 18 11.271 11.439 -3.484 1.00 0.32 C ATOM 483 CG ASN A 18 11.539 12.077 -4.832 1.00 0.42 C ATOM 484 OD1 ASN A 18 10.791 11.677 -5.844 1.00 0.76 O flip ATOM 485 ND2 ASN A 18 12.434 12.905 -4.965 1.00 0.66 N flip ATOM 0 H ASN A 18 10.641 12.656 -0.575 1.00 0.34 H new ATOM 0 HA ASN A 18 10.495 13.300 -2.728 1.00 0.30 H new ATOM 0 HB2 ASN A 18 12.215 11.329 -2.950 1.00 0.32 H new ATOM 0 HB3 ASN A 18 10.873 10.436 -3.639 1.00 0.32 H new ATOM 0 HD21 ASN A 18 12.990 13.189 -4.159 1.00 0.66 H new ATOM 0 HD22 ASN A 18 12.622 13.310 -5.882 1.00 0.66 H new ATOM 492 N PHE A 19 7.932 12.099 -2.077 1.00 0.30 N ATOM 493 CA PHE A 19 6.532 11.752 -2.295 1.00 0.31 C ATOM 494 C PHE A 19 5.835 12.774 -3.189 1.00 0.31 C ATOM 495 O PHE A 19 5.079 12.405 -4.089 1.00 0.32 O ATOM 496 CB PHE A 19 5.802 11.618 -0.958 1.00 0.37 C ATOM 497 CG PHE A 19 4.419 11.048 -1.079 1.00 0.36 C ATOM 498 CD1 PHE A 19 4.224 9.781 -1.601 1.00 0.45 C ATOM 499 CD2 PHE A 19 3.316 11.777 -0.672 1.00 0.45 C ATOM 500 CE1 PHE A 19 2.956 9.250 -1.716 1.00 0.49 C ATOM 501 CE2 PHE A 19 2.045 11.253 -0.782 1.00 0.48 C ATOM 502 CZ PHE A 19 1.864 9.986 -1.306 1.00 0.44 C ATOM 0 H PHE A 19 8.142 12.427 -1.134 1.00 0.30 H new ATOM 0 HA PHE A 19 6.502 10.791 -2.808 1.00 0.31 H new ATOM 0 HB2 PHE A 19 6.390 10.983 -0.295 1.00 0.37 H new ATOM 0 HB3 PHE A 19 5.741 12.599 -0.488 1.00 0.37 H new ATOM 0 HD1 PHE A 19 5.076 9.200 -1.923 1.00 0.45 H new ATOM 0 HD2 PHE A 19 3.452 12.768 -0.264 1.00 0.45 H new ATOM 0 HE1 PHE A 19 2.819 8.260 -2.126 1.00 0.49 H new ATOM 0 HE2 PHE A 19 1.192 11.831 -0.459 1.00 0.48 H new ATOM 0 HZ PHE A 19 0.870 9.574 -1.394 1.00 0.44 H new ATOM 512 N ASP A 20 6.089 14.056 -2.946 1.00 0.33 N ATOM 513 CA ASP A 20 5.480 15.119 -3.743 1.00 0.37 C ATOM 514 C ASP A 20 5.847 14.981 -5.222 1.00 0.33 C ATOM 515 O ASP A 20 4.987 15.096 -6.096 1.00 0.33 O ATOM 516 CB ASP A 20 5.892 16.505 -3.217 1.00 0.46 C ATOM 517 CG ASP A 20 7.355 16.835 -3.464 1.00 1.08 C ATOM 518 OD1 ASP A 20 7.639 17.864 -4.107 1.00 1.22 O ATOM 519 OD2 ASP A 20 8.225 16.055 -3.026 1.00 2.04 O ATOM 0 H ASP A 20 6.710 14.385 -2.207 1.00 0.33 H new ATOM 0 HA ASP A 20 4.398 15.022 -3.650 1.00 0.37 H new ATOM 0 HB2 ASP A 20 5.271 17.265 -3.692 1.00 0.46 H new ATOM 0 HB3 ASP A 20 5.692 16.553 -2.147 1.00 0.46 H new ATOM 524 N GLU A 21 7.119 14.718 -5.494 1.00 0.34 N ATOM 525 CA GLU A 21 7.591 14.553 -6.865 1.00 0.35 C ATOM 526 C GLU A 21 6.924 13.363 -7.540 1.00 0.31 C ATOM 527 O GLU A 21 6.638 13.406 -8.740 1.00 0.34 O ATOM 528 CB GLU A 21 9.111 14.411 -6.897 1.00 0.41 C ATOM 529 CG GLU A 21 9.823 15.660 -6.428 1.00 0.51 C ATOM 530 CD GLU A 21 11.328 15.570 -6.541 1.00 1.14 C ATOM 531 OE1 GLU A 21 11.834 15.445 -7.676 1.00 1.65 O ATOM 532 OE2 GLU A 21 12.011 15.657 -5.498 1.00 1.79 O ATOM 0 H GLU A 21 7.844 14.614 -4.784 1.00 0.34 H new ATOM 0 HA GLU A 21 7.316 15.448 -7.423 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.407 13.571 -6.268 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.429 14.176 -7.913 1.00 0.41 H new ATOM 0 HG2 GLU A 21 9.472 16.511 -7.012 1.00 0.51 H new ATOM 0 HG3 GLU A 21 9.555 15.854 -5.390 1.00 0.51 H new ATOM 539 N TYR A 22 6.677 12.303 -6.776 1.00 0.29 N ATOM 540 CA TYR A 22 5.923 11.166 -7.287 1.00 0.28 C ATOM 541 C TYR A 22 4.516 11.595 -7.691 1.00 0.30 C ATOM 542 O TYR A 22 3.976 11.132 -8.699 1.00 0.33 O ATOM 543 CB TYR A 22 5.854 10.056 -6.236 1.00 0.30 C ATOM 544 CG TYR A 22 4.858 8.959 -6.558 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.613 8.920 -5.945 1.00 0.41 C ATOM 546 CD2 TYR A 22 5.166 7.970 -7.484 1.00 0.38 C ATOM 547 CE1 TYR A 22 2.702 7.922 -6.246 1.00 0.48 C ATOM 548 CE2 TYR A 22 4.261 6.970 -7.787 1.00 0.44 C ATOM 549 CZ TYR A 22 3.030 6.943 -7.132 1.00 0.50 C ATOM 550 OH TYR A 22 2.122 5.963 -7.475 1.00 0.57 O ATOM 0 H TYR A 22 6.986 12.209 -5.808 1.00 0.29 H new ATOM 0 HA TYR A 22 6.436 10.782 -8.169 1.00 0.28 H new ATOM 0 HB2 TYR A 22 6.844 9.613 -6.126 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.594 10.497 -5.274 1.00 0.30 H new ATOM 0 HD1 TYR A 22 3.351 9.679 -5.223 1.00 0.41 H new ATOM 0 HD2 TYR A 22 6.128 7.983 -7.975 1.00 0.38 H new ATOM 0 HE1 TYR A 22 1.729 7.921 -5.777 1.00 0.48 H new ATOM 0 HE2 TYR A 22 4.505 6.218 -8.523 1.00 0.44 H new ATOM 0 HH TYR A 22 1.217 6.339 -7.469 1.00 0.57 H new ATOM 560 N LEU A 23 3.933 12.499 -6.911 1.00 0.28 N ATOM 561 CA LEU A 23 2.580 12.971 -7.170 1.00 0.30 C ATOM 562 C LEU A 23 2.532 13.738 -8.483 1.00 0.34 C ATOM 563 O LEU A 23 1.584 13.603 -9.257 1.00 0.37 O ATOM 564 CB LEU A 23 2.091 13.856 -6.021 1.00 0.30 C ATOM 565 CG LEU A 23 2.011 13.157 -4.664 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.489 14.107 -3.600 1.00 0.33 C ATOM 567 CD2 LEU A 23 1.130 11.923 -4.756 1.00 0.32 C ATOM 0 H LEU A 23 4.377 12.919 -6.094 1.00 0.28 H new ATOM 0 HA LEU A 23 1.921 12.106 -7.245 1.00 0.30 H new ATOM 0 HB2 LEU A 23 2.757 14.714 -5.933 1.00 0.30 H new ATOM 0 HB3 LEU A 23 1.104 14.243 -6.274 1.00 0.30 H new ATOM 0 HG LEU A 23 3.016 12.845 -4.378 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.440 13.589 -2.642 1.00 0.33 H new ATOM 0 HD12 LEU A 23 2.159 14.963 -3.516 1.00 0.33 H new ATOM 0 HD13 LEU A 23 0.493 14.452 -3.877 1.00 0.33 H new ATOM 0 HD21 LEU A 23 1.083 11.436 -3.782 1.00 0.32 H new ATOM 0 HD22 LEU A 23 0.126 12.215 -5.065 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.548 11.231 -5.487 1.00 0.32 H new ATOM 579 N LYS A 24 3.578 14.517 -8.738 1.00 0.34 N ATOM 580 CA LYS A 24 3.690 15.265 -9.983 1.00 0.39 C ATOM 581 C LYS A 24 3.746 14.307 -11.161 1.00 0.40 C ATOM 582 O LYS A 24 3.035 14.475 -12.149 1.00 0.44 O ATOM 583 CB LYS A 24 4.944 16.139 -9.972 1.00 0.41 C ATOM 584 CG LYS A 24 4.869 17.319 -9.017 1.00 0.45 C ATOM 585 CD LYS A 24 6.157 18.134 -9.021 1.00 0.55 C ATOM 586 CE LYS A 24 6.518 18.629 -10.418 1.00 1.35 C ATOM 587 NZ LYS A 24 5.420 19.418 -11.037 1.00 1.88 N ATOM 0 H LYS A 24 4.361 14.646 -8.097 1.00 0.34 H new ATOM 0 HA LYS A 24 2.814 15.907 -10.080 1.00 0.39 H new ATOM 0 HB2 LYS A 24 5.802 15.522 -9.704 1.00 0.41 H new ATOM 0 HB3 LYS A 24 5.123 16.512 -10.980 1.00 0.41 H new ATOM 0 HG2 LYS A 24 4.033 17.960 -9.296 1.00 0.45 H new ATOM 0 HG3 LYS A 24 4.671 16.958 -8.008 1.00 0.45 H new ATOM 0 HD2 LYS A 24 6.048 18.987 -8.351 1.00 0.55 H new ATOM 0 HD3 LYS A 24 6.972 17.525 -8.631 1.00 0.55 H new ATOM 0 HE2 LYS A 24 7.417 19.243 -10.363 1.00 1.35 H new ATOM 0 HE3 LYS A 24 6.753 17.776 -11.054 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 5.757 19.846 -11.923 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 4.614 18.792 -11.239 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 5.120 20.168 -10.382 1.00 1.88 H new ATOM 601 N ALA A 25 4.594 13.296 -11.031 1.00 0.40 N ATOM 602 CA ALA A 25 4.757 12.282 -12.061 1.00 0.43 C ATOM 603 C ALA A 25 3.429 11.591 -12.372 1.00 0.43 C ATOM 604 O ALA A 25 3.069 11.417 -13.536 1.00 0.44 O ATOM 605 CB ALA A 25 5.799 11.263 -11.631 1.00 0.43 C ATOM 0 H ALA A 25 5.186 13.157 -10.212 1.00 0.40 H new ATOM 0 HA ALA A 25 5.098 12.774 -12.972 1.00 0.43 H new ATOM 0 HB1 ALA A 25 5.913 10.509 -12.409 1.00 0.43 H new ATOM 0 HB2 ALA A 25 6.753 11.764 -11.469 1.00 0.43 H new ATOM 0 HB3 ALA A 25 5.479 10.784 -10.706 1.00 0.43 H new ATOM 611 N ARG A 26 2.692 11.236 -11.322 1.00 0.43 N ATOM 612 CA ARG A 26 1.420 10.521 -11.466 1.00 0.45 C ATOM 613 C ARG A 26 0.345 11.389 -12.116 1.00 0.47 C ATOM 614 O ARG A 26 -0.728 10.896 -12.473 1.00 0.51 O ATOM 615 CB ARG A 26 0.928 10.030 -10.106 1.00 0.48 C ATOM 616 CG ARG A 26 1.750 8.888 -9.537 1.00 0.85 C ATOM 617 CD ARG A 26 1.540 7.598 -10.315 1.00 0.72 C ATOM 618 NE ARG A 26 0.191 7.062 -10.141 1.00 0.76 N ATOM 619 CZ ARG A 26 -0.582 6.637 -11.139 1.00 0.78 C ATOM 620 NH1 ARG A 26 -0.148 6.685 -12.394 1.00 1.29 N ATOM 621 NH2 ARG A 26 -1.790 6.156 -10.872 1.00 1.06 N ATOM 0 H ARG A 26 2.953 11.432 -10.356 1.00 0.43 H new ATOM 0 HA ARG A 26 1.604 9.668 -12.119 1.00 0.45 H new ATOM 0 HB2 ARG A 26 0.942 10.862 -9.402 1.00 0.48 H new ATOM 0 HB3 ARG A 26 -0.109 9.708 -10.199 1.00 0.48 H new ATOM 0 HG2 ARG A 26 2.806 9.156 -9.556 1.00 0.85 H new ATOM 0 HG3 ARG A 26 1.480 8.731 -8.493 1.00 0.85 H new ATOM 0 HD2 ARG A 26 1.723 7.780 -11.374 1.00 0.72 H new ATOM 0 HD3 ARG A 26 2.269 6.856 -9.989 1.00 0.72 H new ATOM 0 HE ARG A 26 -0.183 7.010 -9.193 1.00 0.76 H new ATOM 0 HH11 ARG A 26 0.783 7.049 -12.598 1.00 1.29 H new ATOM 0 HH12 ARG A 26 -0.746 6.358 -13.153 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -2.120 6.114 -9.908 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -2.388 5.829 -11.631 1.00 1.06 H new ATOM 635 N GLY A 27 0.628 12.673 -12.262 1.00 0.46 N ATOM 636 CA GLY A 27 -0.300 13.559 -12.925 1.00 0.49 C ATOM 637 C GLY A 27 -1.095 14.406 -11.956 1.00 0.50 C ATOM 638 O GLY A 27 -1.994 15.140 -12.364 1.00 0.62 O ATOM 0 H GLY A 27 1.485 13.117 -11.932 1.00 0.46 H new ATOM 0 HA2 GLY A 27 0.249 14.211 -13.604 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -0.986 12.970 -13.533 1.00 0.49 H new ATOM 642 N TYR A 28 -0.764 14.316 -10.674 1.00 0.48 N ATOM 643 CA TYR A 28 -1.455 15.092 -9.659 1.00 0.53 C ATOM 644 C TYR A 28 -0.918 16.516 -9.632 1.00 0.56 C ATOM 645 O TYR A 28 0.280 16.736 -9.433 1.00 0.54 O ATOM 646 CB TYR A 28 -1.294 14.451 -8.279 1.00 0.51 C ATOM 647 CG TYR A 28 -1.922 13.080 -8.157 1.00 0.53 C ATOM 648 CD1 TYR A 28 -1.136 11.946 -8.011 1.00 0.52 C ATOM 649 CD2 TYR A 28 -3.302 12.921 -8.184 1.00 0.59 C ATOM 650 CE1 TYR A 28 -1.705 10.691 -7.899 1.00 0.54 C ATOM 651 CE2 TYR A 28 -3.879 11.671 -8.071 1.00 0.63 C ATOM 652 CZ TYR A 28 -3.075 10.560 -7.928 1.00 0.60 C ATOM 653 OH TYR A 28 -3.646 9.312 -7.820 1.00 0.64 O ATOM 0 H TYR A 28 -0.023 13.714 -10.316 1.00 0.48 H new ATOM 0 HA TYR A 28 -2.516 15.112 -9.910 1.00 0.53 H new ATOM 0 HB2 TYR A 28 -0.232 14.374 -8.048 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -1.736 15.109 -7.531 1.00 0.51 H new ATOM 0 HD1 TYR A 28 -0.061 12.045 -7.984 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -3.934 13.789 -8.295 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -1.078 9.818 -7.789 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -4.953 11.565 -8.095 1.00 0.63 H new ATOM 0 HH TYR A 28 -4.622 9.394 -7.857 1.00 0.64 H new ATOM 663 N GLY A 29 -1.803 17.475 -9.847 1.00 0.68 N ATOM 664 CA GLY A 29 -1.413 18.866 -9.819 1.00 0.80 C ATOM 665 C GLY A 29 -1.284 19.389 -8.403 1.00 0.88 C ATOM 666 O GLY A 29 -1.340 18.617 -7.444 1.00 1.54 O ATOM 0 H GLY A 29 -2.791 17.312 -10.042 1.00 0.68 H new ATOM 0 HA2 GLY A 29 -0.462 18.987 -10.338 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -2.150 19.460 -10.360 1.00 0.80 H new ATOM 670 N TRP A 30 -1.118 20.700 -8.276 1.00 0.54 N ATOM 671 CA TRP A 30 -0.934 21.347 -6.982 1.00 0.56 C ATOM 672 C TRP A 30 -2.008 20.928 -5.980 1.00 0.54 C ATOM 673 O TRP A 30 -1.692 20.599 -4.835 1.00 0.52 O ATOM 674 CB TRP A 30 -0.944 22.873 -7.152 1.00 0.65 C ATOM 675 CG TRP A 30 -1.113 23.620 -5.864 1.00 0.75 C ATOM 676 CD1 TRP A 30 -0.136 23.955 -4.972 1.00 0.84 C ATOM 677 CD2 TRP A 30 -2.343 24.117 -5.320 1.00 0.86 C ATOM 678 NE1 TRP A 30 -0.685 24.620 -3.906 1.00 0.98 N ATOM 679 CE2 TRP A 30 -2.037 24.733 -4.097 1.00 0.99 C ATOM 680 CE3 TRP A 30 -3.673 24.098 -5.749 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -3.012 25.321 -3.300 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -4.639 24.684 -4.958 1.00 1.07 C ATOM 683 CH2 TRP A 30 -4.304 25.288 -3.743 1.00 1.18 C ATOM 0 H TRP A 30 -1.107 21.345 -9.066 1.00 0.54 H new ATOM 0 HA TRP A 30 0.031 21.029 -6.587 1.00 0.56 H new ATOM 0 HB2 TRP A 30 -0.011 23.184 -7.623 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -1.751 23.149 -7.831 1.00 0.65 H new ATOM 0 HD1 TRP A 30 0.914 23.730 -5.088 1.00 0.84 H new ATOM 0 HE1 TRP A 30 -0.170 24.974 -3.100 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -3.940 23.632 -6.686 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -2.757 25.789 -2.361 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -5.669 24.676 -5.282 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -5.081 25.737 -3.143 1.00 1.18 H new ATOM 694 N ILE A 31 -3.262 20.922 -6.427 1.00 0.60 N ATOM 695 CA ILE A 31 -4.399 20.638 -5.553 1.00 0.63 C ATOM 696 C ILE A 31 -4.196 19.327 -4.844 1.00 0.53 C ATOM 697 O ILE A 31 -4.159 19.260 -3.613 1.00 0.51 O ATOM 698 CB ILE A 31 -5.738 20.531 -6.318 1.00 0.76 C ATOM 699 CG1 ILE A 31 -6.112 21.846 -6.983 1.00 1.05 C ATOM 700 CG2 ILE A 31 -6.846 20.065 -5.389 1.00 0.69 C ATOM 701 CD1 ILE A 31 -5.315 22.107 -8.230 1.00 2.16 C ATOM 0 H ILE A 31 -3.518 21.112 -7.396 1.00 0.60 H new ATOM 0 HA ILE A 31 -4.451 21.475 -4.856 1.00 0.63 H new ATOM 0 HB ILE A 31 -5.609 19.791 -7.107 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -7.174 21.836 -7.230 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -5.956 22.663 -6.278 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -7.781 19.995 -5.944 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -6.592 19.086 -4.982 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -6.961 20.779 -4.573 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -5.621 23.058 -8.665 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -4.254 22.146 -7.982 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -5.490 21.306 -8.948 1.00 2.16 H new ATOM 713 N MET A 32 -4.056 18.286 -5.637 1.00 0.48 N ATOM 714 CA MET A 32 -3.961 16.965 -5.103 1.00 0.43 C ATOM 715 C MET A 32 -2.693 16.796 -4.288 1.00 0.38 C ATOM 716 O MET A 32 -2.702 16.131 -3.257 1.00 0.39 O ATOM 717 CB MET A 32 -4.041 15.926 -6.214 1.00 0.48 C ATOM 718 CG MET A 32 -5.406 15.879 -6.875 1.00 0.55 C ATOM 719 SD MET A 32 -6.748 15.776 -5.676 1.00 0.97 S ATOM 720 CE MET A 32 -6.199 14.387 -4.696 1.00 0.48 C ATOM 0 H MET A 32 -4.006 18.340 -6.654 1.00 0.48 H new ATOM 0 HA MET A 32 -4.808 16.810 -4.434 1.00 0.43 H new ATOM 0 HB2 MET A 32 -3.285 16.147 -6.967 1.00 0.48 H new ATOM 0 HB3 MET A 32 -3.806 14.943 -5.805 1.00 0.48 H new ATOM 0 HG2 MET A 32 -5.540 16.769 -7.490 1.00 0.55 H new ATOM 0 HG3 MET A 32 -5.453 15.020 -7.544 1.00 0.55 H new ATOM 0 HE1 MET A 32 -7.065 13.859 -4.296 1.00 0.48 H new ATOM 0 HE2 MET A 32 -5.617 13.709 -5.320 1.00 0.48 H new ATOM 0 HE3 MET A 32 -5.580 14.744 -3.873 1.00 0.48 H new ATOM 730 N ARG A 33 -1.615 17.432 -4.728 1.00 0.39 N ATOM 731 CA ARG A 33 -0.346 17.358 -4.016 1.00 0.41 C ATOM 732 C ARG A 33 -0.469 17.928 -2.610 1.00 0.45 C ATOM 733 O ARG A 33 0.286 17.552 -1.719 1.00 0.60 O ATOM 734 CB ARG A 33 0.755 18.085 -4.785 1.00 0.49 C ATOM 735 CG ARG A 33 1.125 17.403 -6.090 1.00 0.90 C ATOM 736 CD ARG A 33 2.318 18.067 -6.751 1.00 0.71 C ATOM 737 NE ARG A 33 2.045 19.453 -7.127 1.00 0.77 N ATOM 738 CZ ARG A 33 2.891 20.463 -6.919 1.00 0.99 C ATOM 739 NH1 ARG A 33 4.036 20.261 -6.279 1.00 1.87 N ATOM 740 NH2 ARG A 33 2.588 21.682 -7.351 1.00 1.03 N ATOM 0 H ARG A 33 -1.594 18.004 -5.573 1.00 0.39 H new ATOM 0 HA ARG A 33 -0.076 16.305 -3.936 1.00 0.41 H new ATOM 0 HB2 ARG A 33 0.430 19.104 -4.995 1.00 0.49 H new ATOM 0 HB3 ARG A 33 1.642 18.156 -4.156 1.00 0.49 H new ATOM 0 HG2 ARG A 33 1.351 16.354 -5.901 1.00 0.90 H new ATOM 0 HG3 ARG A 33 0.272 17.428 -6.768 1.00 0.90 H new ATOM 0 HD2 ARG A 33 3.169 18.039 -6.071 1.00 0.71 H new ATOM 0 HD3 ARG A 33 2.600 17.501 -7.639 1.00 0.71 H new ATOM 0 HE ARG A 33 1.153 19.660 -7.576 1.00 0.77 H new ATOM 0 HH11 ARG A 33 4.274 19.328 -5.942 1.00 1.87 H new ATOM 0 HH12 ARG A 33 4.678 21.039 -6.124 1.00 1.87 H new ATOM 0 HH21 ARG A 33 1.709 21.845 -7.842 1.00 1.03 H new ATOM 0 HH22 ARG A 33 3.235 22.455 -7.192 1.00 1.03 H new ATOM 754 N GLN A 34 -1.416 18.834 -2.412 1.00 0.41 N ATOM 755 CA GLN A 34 -1.676 19.359 -1.081 1.00 0.46 C ATOM 756 C GLN A 34 -2.385 18.307 -0.242 1.00 0.47 C ATOM 757 O GLN A 34 -1.973 18.009 0.874 1.00 0.58 O ATOM 758 CB GLN A 34 -2.535 20.626 -1.138 1.00 0.51 C ATOM 759 CG GLN A 34 -1.940 21.754 -1.964 1.00 0.80 C ATOM 760 CD GLN A 34 -0.518 22.092 -1.569 1.00 1.39 C ATOM 761 OE1 GLN A 34 -0.284 22.894 -0.665 1.00 1.88 O ATOM 762 NE2 GLN A 34 0.443 21.506 -2.265 1.00 1.97 N ATOM 0 H GLN A 34 -2.010 19.217 -3.147 1.00 0.41 H new ATOM 0 HA GLN A 34 -0.718 19.614 -0.628 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -3.512 20.369 -1.547 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -2.699 20.984 -0.122 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -1.962 21.476 -3.018 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -2.562 22.643 -1.856 1.00 0.80 H new ATOM 0 HE21 GLN A 34 0.206 20.847 -3.007 1.00 1.97 H new ATOM 0 HE22 GLN A 34 1.420 21.713 -2.060 1.00 1.97 H new ATOM 771 N VAL A 35 -3.427 17.717 -0.816 1.00 0.42 N ATOM 772 CA VAL A 35 -4.291 16.782 -0.105 1.00 0.42 C ATOM 773 C VAL A 35 -3.558 15.483 0.228 1.00 0.40 C ATOM 774 O VAL A 35 -3.439 15.107 1.391 1.00 0.44 O ATOM 775 CB VAL A 35 -5.538 16.455 -0.959 1.00 0.45 C ATOM 776 CG1 VAL A 35 -6.427 15.430 -0.276 1.00 0.68 C ATOM 777 CG2 VAL A 35 -6.321 17.723 -1.267 1.00 0.65 C ATOM 0 H VAL A 35 -3.697 17.873 -1.787 1.00 0.42 H new ATOM 0 HA VAL A 35 -4.593 17.259 0.828 1.00 0.42 H new ATOM 0 HB VAL A 35 -5.194 16.021 -1.898 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -7.294 15.224 -0.904 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -5.866 14.509 -0.119 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -6.760 15.821 0.685 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -7.195 17.474 -1.869 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -6.643 18.187 -0.335 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -5.687 18.417 -1.818 1.00 0.65 H new ATOM 787 N ILE A 36 -3.089 14.808 -0.815 1.00 0.38 N ATOM 788 CA ILE A 36 -2.380 13.532 -0.703 1.00 0.39 C ATOM 789 C ILE A 36 -1.269 13.543 0.358 1.00 0.46 C ATOM 790 O ILE A 36 -1.066 12.550 1.057 1.00 0.51 O ATOM 791 CB ILE A 36 -1.798 13.142 -2.070 1.00 0.42 C ATOM 792 CG1 ILE A 36 -2.894 13.222 -3.140 1.00 0.47 C ATOM 793 CG2 ILE A 36 -1.247 11.739 -2.002 1.00 0.48 C ATOM 794 CD1 ILE A 36 -2.399 13.046 -4.557 1.00 0.51 C ATOM 0 H ILE A 36 -3.190 15.133 -1.776 1.00 0.38 H new ATOM 0 HA ILE A 36 -3.111 12.792 -0.377 1.00 0.39 H new ATOM 0 HB ILE A 36 -0.994 13.830 -2.332 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -3.643 12.458 -2.933 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -3.393 14.188 -3.060 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -0.834 11.463 -2.972 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.462 11.693 -1.247 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -2.046 11.047 -1.737 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -3.239 13.117 -5.247 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -1.673 13.825 -4.788 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -1.927 12.069 -4.659 1.00 0.51 H new ATOM 806 N LYS A 37 -0.567 14.663 0.502 1.00 0.52 N ATOM 807 CA LYS A 37 0.531 14.740 1.468 1.00 0.67 C ATOM 808 C LYS A 37 0.020 14.911 2.901 1.00 0.66 C ATOM 809 O LYS A 37 0.738 14.624 3.858 1.00 0.79 O ATOM 810 CB LYS A 37 1.491 15.882 1.128 1.00 0.91 C ATOM 811 CG LYS A 37 2.247 15.683 -0.177 1.00 0.75 C ATOM 812 CD LYS A 37 3.426 16.640 -0.291 1.00 0.94 C ATOM 813 CE LYS A 37 2.990 18.095 -0.188 1.00 0.70 C ATOM 814 NZ LYS A 37 4.152 19.019 -0.125 1.00 0.97 N ATOM 0 H LYS A 37 -0.733 15.519 -0.027 1.00 0.52 H new ATOM 0 HA LYS A 37 1.067 13.793 1.404 1.00 0.67 H new ATOM 0 HB2 LYS A 37 0.927 16.813 1.072 1.00 0.91 H new ATOM 0 HB3 LYS A 37 2.210 15.993 1.940 1.00 0.91 H new ATOM 0 HG2 LYS A 37 2.604 14.655 -0.239 1.00 0.75 H new ATOM 0 HG3 LYS A 37 1.570 15.836 -1.018 1.00 0.75 H new ATOM 0 HD2 LYS A 37 4.148 16.421 0.496 1.00 0.94 H new ATOM 0 HD3 LYS A 37 3.933 16.480 -1.243 1.00 0.94 H new ATOM 0 HE2 LYS A 37 2.370 18.350 -1.047 1.00 0.70 H new ATOM 0 HE3 LYS A 37 2.373 18.227 0.701 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 3.812 20.000 -0.056 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 4.730 18.793 0.709 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 4.728 18.912 -0.985 1.00 0.97 H new ATOM 828 N LEU A 38 -1.213 15.373 3.048 1.00 0.63 N ATOM 829 CA LEU A 38 -1.796 15.580 4.369 1.00 0.70 C ATOM 830 C LEU A 38 -2.489 14.313 4.861 1.00 0.65 C ATOM 831 O LEU A 38 -2.920 14.232 6.012 1.00 0.91 O ATOM 832 CB LEU A 38 -2.798 16.730 4.319 1.00 0.82 C ATOM 833 CG LEU A 38 -2.226 18.062 3.839 1.00 1.08 C ATOM 834 CD1 LEU A 38 -3.349 19.032 3.529 1.00 2.08 C ATOM 835 CD2 LEU A 38 -1.280 18.648 4.879 1.00 1.61 C ATOM 0 H LEU A 38 -1.830 15.612 2.271 1.00 0.63 H new ATOM 0 HA LEU A 38 -0.993 15.827 5.064 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -3.621 16.447 3.663 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -3.218 16.870 5.315 1.00 0.82 H new ATOM 0 HG LEU A 38 -1.657 17.887 2.926 1.00 1.08 H new ATOM 0 HD11 LEU A 38 -2.929 19.978 3.188 1.00 2.08 H new ATOM 0 HD12 LEU A 38 -3.985 18.615 2.748 1.00 2.08 H new ATOM 0 HD13 LEU A 38 -3.942 19.202 4.428 1.00 2.08 H new ATOM 0 HD21 LEU A 38 -0.884 19.597 4.517 1.00 1.61 H new ATOM 0 HD22 LEU A 38 -1.821 18.813 5.811 1.00 1.61 H new ATOM 0 HD23 LEU A 38 -0.457 17.955 5.054 1.00 1.61 H new ATOM 847 N ALA A 39 -2.588 13.327 3.983 1.00 0.52 N ATOM 848 CA ALA A 39 -3.263 12.082 4.307 1.00 0.53 C ATOM 849 C ALA A 39 -2.364 11.168 5.133 1.00 0.60 C ATOM 850 O ALA A 39 -1.521 10.450 4.590 1.00 1.03 O ATOM 851 CB ALA A 39 -3.713 11.383 3.035 1.00 0.55 C ATOM 0 H ALA A 39 -2.208 13.366 3.037 1.00 0.52 H new ATOM 0 HA ALA A 39 -4.142 12.317 4.908 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -4.217 10.451 3.291 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -4.400 12.029 2.488 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -2.845 11.166 2.412 1.00 0.55 H new ATOM 857 N GLY A 40 -2.560 11.194 6.447 1.00 0.43 N ATOM 858 CA GLY A 40 -1.789 10.349 7.342 1.00 0.46 C ATOM 859 C GLY A 40 -2.298 8.922 7.363 1.00 0.46 C ATOM 860 O GLY A 40 -2.678 8.403 8.412 1.00 0.84 O ATOM 0 H GLY A 40 -3.245 11.790 6.912 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -0.743 10.355 7.034 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -1.827 10.761 8.350 1.00 0.46 H new ATOM 864 N VAL A 41 -2.336 8.308 6.189 1.00 0.44 N ATOM 865 CA VAL A 41 -2.850 6.956 6.009 1.00 0.45 C ATOM 866 C VAL A 41 -2.171 5.908 6.900 1.00 0.36 C ATOM 867 O VAL A 41 -0.993 6.009 7.240 1.00 0.41 O ATOM 868 CB VAL A 41 -2.750 6.548 4.518 1.00 0.67 C ATOM 869 CG1 VAL A 41 -1.376 6.845 3.960 1.00 0.95 C ATOM 870 CG2 VAL A 41 -3.097 5.082 4.298 1.00 1.30 C ATOM 0 H VAL A 41 -2.007 8.739 5.325 1.00 0.44 H new ATOM 0 HA VAL A 41 -3.894 6.979 6.322 1.00 0.45 H new ATOM 0 HB VAL A 41 -3.485 7.148 3.982 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -1.337 6.548 2.912 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -1.173 7.913 4.042 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -0.627 6.289 4.523 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -3.013 4.843 3.238 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -2.409 4.456 4.867 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -4.118 4.896 4.632 1.00 1.30 H new ATOM 880 N THR A 42 -2.964 4.916 7.279 1.00 0.31 N ATOM 881 CA THR A 42 -2.516 3.783 8.065 1.00 0.30 C ATOM 882 C THR A 42 -2.567 2.514 7.211 1.00 0.29 C ATOM 883 O THR A 42 -3.611 2.198 6.633 1.00 0.32 O ATOM 884 CB THR A 42 -3.428 3.597 9.296 1.00 0.35 C ATOM 885 OG1 THR A 42 -3.413 4.786 10.097 1.00 0.40 O ATOM 886 CG2 THR A 42 -2.995 2.407 10.136 1.00 0.45 C ATOM 0 H THR A 42 -3.955 4.879 7.042 1.00 0.31 H new ATOM 0 HA THR A 42 -1.494 3.967 8.396 1.00 0.30 H new ATOM 0 HB THR A 42 -4.440 3.407 8.938 1.00 0.35 H new ATOM 0 HG1 THR A 42 -3.995 4.663 10.876 1.00 0.40 H new ATOM 0 HG21 THR A 42 -3.660 2.306 10.994 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.041 1.500 9.533 1.00 0.45 H new ATOM 0 HG23 THR A 42 -1.973 2.560 10.484 1.00 0.45 H new ATOM 894 N LYS A 43 -1.452 1.799 7.117 1.00 0.31 N ATOM 895 CA LYS A 43 -1.416 0.559 6.351 1.00 0.35 C ATOM 896 C LYS A 43 -1.844 -0.606 7.228 1.00 0.33 C ATOM 897 O LYS A 43 -1.440 -0.699 8.384 1.00 0.41 O ATOM 898 CB LYS A 43 -0.015 0.296 5.791 1.00 0.50 C ATOM 899 CG LYS A 43 0.426 1.285 4.727 1.00 0.77 C ATOM 900 CD LYS A 43 -0.348 1.110 3.428 1.00 0.53 C ATOM 901 CE LYS A 43 0.102 2.124 2.391 1.00 0.59 C ATOM 902 NZ LYS A 43 -0.602 1.978 1.088 1.00 0.79 N ATOM 0 H LYS A 43 -0.568 2.054 7.557 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.107 0.659 5.514 1.00 0.35 H new ATOM 0 HB2 LYS A 43 0.702 0.319 6.612 1.00 0.50 H new ATOM 0 HB3 LYS A 43 0.013 -0.709 5.371 1.00 0.50 H new ATOM 0 HG2 LYS A 43 0.288 2.301 5.097 1.00 0.77 H new ATOM 0 HG3 LYS A 43 1.491 1.158 4.534 1.00 0.77 H new ATOM 0 HD2 LYS A 43 -0.200 0.101 3.044 1.00 0.53 H new ATOM 0 HD3 LYS A 43 -1.415 1.226 3.617 1.00 0.53 H new ATOM 0 HE2 LYS A 43 -0.066 3.129 2.777 1.00 0.59 H new ATOM 0 HE3 LYS A 43 1.175 2.020 2.231 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 -0.381 2.793 0.481 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 -0.289 1.103 0.621 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 -1.628 1.936 1.251 1.00 0.79 H new ATOM 916 N LYS A 44 -2.676 -1.478 6.688 1.00 0.31 N ATOM 917 CA LYS A 44 -3.153 -2.627 7.438 1.00 0.35 C ATOM 918 C LYS A 44 -3.026 -3.898 6.609 1.00 0.34 C ATOM 919 O LYS A 44 -3.651 -4.027 5.562 1.00 0.47 O ATOM 920 CB LYS A 44 -4.616 -2.426 7.846 1.00 0.44 C ATOM 921 CG LYS A 44 -4.876 -1.117 8.576 1.00 0.90 C ATOM 922 CD LYS A 44 -6.313 -1.007 9.070 1.00 0.88 C ATOM 923 CE LYS A 44 -6.534 -1.723 10.400 1.00 1.39 C ATOM 924 NZ LYS A 44 -6.375 -3.202 10.304 1.00 1.96 N ATOM 0 H LYS A 44 -3.035 -1.413 5.735 1.00 0.31 H new ATOM 0 HA LYS A 44 -2.540 -2.726 8.334 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -5.241 -2.464 6.954 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -4.922 -3.254 8.485 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -4.195 -1.035 9.423 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -4.658 -0.282 7.910 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -6.576 0.045 9.180 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -6.984 -1.426 8.320 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -5.829 -1.335 11.136 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -7.535 -1.495 10.766 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -6.922 -3.660 11.061 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -6.722 -3.529 9.380 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -5.370 -3.450 10.404 1.00 1.96 H new ATOM 938 N PHE A 45 -2.199 -4.815 7.073 1.00 0.29 N ATOM 939 CA PHE A 45 -2.075 -6.123 6.445 1.00 0.29 C ATOM 940 C PHE A 45 -2.434 -7.198 7.457 1.00 0.30 C ATOM 941 O PHE A 45 -2.138 -7.052 8.642 1.00 0.37 O ATOM 942 CB PHE A 45 -0.653 -6.358 5.933 1.00 0.32 C ATOM 943 CG PHE A 45 -0.254 -5.511 4.761 1.00 0.36 C ATOM 944 CD1 PHE A 45 0.125 -4.190 4.935 1.00 0.40 C ATOM 945 CD2 PHE A 45 -0.233 -6.048 3.481 1.00 0.44 C ATOM 946 CE1 PHE A 45 0.514 -3.419 3.858 1.00 0.49 C ATOM 947 CE2 PHE A 45 0.152 -5.280 2.402 1.00 0.52 C ATOM 948 CZ PHE A 45 0.526 -3.965 2.590 1.00 0.54 C ATOM 0 H PHE A 45 -1.599 -4.680 7.887 1.00 0.29 H new ATOM 0 HA PHE A 45 -2.754 -6.164 5.594 1.00 0.29 H new ATOM 0 HB2 PHE A 45 0.046 -6.175 6.749 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -0.551 -7.407 5.655 1.00 0.32 H new ATOM 0 HD1 PHE A 45 0.116 -3.758 5.925 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -0.521 -7.078 3.329 1.00 0.44 H new ATOM 0 HE1 PHE A 45 0.808 -2.391 4.007 1.00 0.49 H new ATOM 0 HE2 PHE A 45 0.161 -5.708 1.410 1.00 0.52 H new ATOM 0 HZ PHE A 45 0.828 -3.363 1.746 1.00 0.54 H new ATOM 958 N ARG A 46 -3.084 -8.258 7.006 1.00 0.31 N ATOM 959 CA ARG A 46 -3.484 -9.338 7.898 1.00 0.33 C ATOM 960 C ARG A 46 -4.003 -10.531 7.111 1.00 0.31 C ATOM 961 O ARG A 46 -4.165 -10.460 5.896 1.00 0.33 O ATOM 962 CB ARG A 46 -4.575 -8.841 8.852 1.00 0.39 C ATOM 963 CG ARG A 46 -5.840 -8.388 8.137 1.00 0.50 C ATOM 964 CD ARG A 46 -6.845 -7.778 9.096 1.00 0.64 C ATOM 965 NE ARG A 46 -7.251 -8.716 10.140 1.00 1.51 N ATOM 966 CZ ARG A 46 -8.398 -8.636 10.810 1.00 2.03 C ATOM 967 NH1 ARG A 46 -9.269 -7.677 10.525 1.00 1.85 N ATOM 968 NH2 ARG A 46 -8.677 -9.519 11.759 1.00 3.17 N ATOM 0 H ARG A 46 -3.346 -8.395 6.030 1.00 0.31 H new ATOM 0 HA ARG A 46 -2.610 -9.654 8.467 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -4.827 -9.638 9.551 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -4.183 -8.012 9.441 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -5.582 -7.658 7.370 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -6.294 -9.239 7.628 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -6.413 -6.890 9.556 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -7.724 -7.453 8.540 1.00 0.64 H new ATOM 0 HE ARG A 46 -6.615 -9.480 10.370 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -9.060 -7.000 9.791 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -10.148 -7.617 11.039 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -8.012 -10.261 11.977 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -9.557 -9.456 12.271 1.00 3.17 H new ATOM 982 N ASN A 47 -4.232 -11.629 7.815 1.00 0.33 N ATOM 983 CA ASN A 47 -4.927 -12.775 7.237 1.00 0.37 C ATOM 984 C ASN A 47 -6.390 -12.405 7.033 1.00 0.39 C ATOM 985 O ASN A 47 -6.906 -11.548 7.755 1.00 0.54 O ATOM 986 CB ASN A 47 -4.790 -14.020 8.127 1.00 0.50 C ATOM 987 CG ASN A 47 -5.293 -13.815 9.545 1.00 0.92 C ATOM 988 OD1 ASN A 47 -6.479 -13.985 9.831 1.00 1.85 O ATOM 989 ND2 ASN A 47 -4.389 -13.480 10.451 1.00 1.44 N ATOM 0 H ASN A 47 -3.948 -11.753 8.787 1.00 0.33 H new ATOM 0 HA ASN A 47 -4.476 -13.024 6.277 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -5.340 -14.844 7.671 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -3.742 -14.317 8.162 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -4.665 -13.354 11.425 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -3.416 -13.348 10.176 1.00 1.44 H new ATOM 996 N ALA A 48 -7.052 -13.023 6.050 1.00 0.36 N ATOM 997 CA ALA A 48 -8.413 -12.644 5.673 1.00 0.41 C ATOM 998 C ALA A 48 -9.330 -12.564 6.877 1.00 0.64 C ATOM 999 O ALA A 48 -9.396 -13.480 7.702 1.00 0.87 O ATOM 1000 CB ALA A 48 -8.969 -13.610 4.637 1.00 0.49 C ATOM 0 H ALA A 48 -6.664 -13.790 5.501 1.00 0.36 H new ATOM 0 HA ALA A 48 -8.366 -11.648 5.233 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -9.983 -13.312 4.369 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -8.338 -13.593 3.748 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -8.985 -14.618 5.051 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.041 -11.451 6.934 1.00 0.83 N ATOM 1007 CA ALA A 49 -10.802 -11.047 8.101 1.00 1.18 C ATOM 1008 C ALA A 49 -11.889 -12.047 8.459 1.00 1.17 C ATOM 1009 O ALA A 49 -12.119 -12.323 9.636 1.00 1.46 O ATOM 1010 CB ALA A 49 -11.400 -9.680 7.849 1.00 1.48 C ATOM 0 H ALA A 49 -10.106 -10.793 6.157 1.00 0.83 H new ATOM 0 HA ALA A 49 -10.123 -11.009 8.953 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -11.974 -9.368 8.721 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -10.601 -8.962 7.664 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -12.056 -9.724 6.980 1.00 1.48 H new ATOM 1016 N SER A 50 -12.544 -12.596 7.446 1.00 1.12 N ATOM 1017 CA SER A 50 -13.618 -13.558 7.643 1.00 1.50 C ATOM 1018 C SER A 50 -13.094 -14.932 8.071 1.00 1.66 C ATOM 1019 O SER A 50 -13.835 -15.917 8.060 1.00 2.19 O ATOM 1020 CB SER A 50 -14.399 -13.685 6.337 1.00 1.77 C ATOM 1021 OG SER A 50 -13.510 -13.849 5.241 1.00 2.37 O ATOM 0 H SER A 50 -12.346 -12.388 6.467 1.00 1.12 H new ATOM 0 HA SER A 50 -14.260 -13.197 8.446 1.00 1.50 H new ATOM 0 HB2 SER A 50 -15.078 -14.536 6.393 1.00 1.77 H new ATOM 0 HB3 SER A 50 -15.013 -12.797 6.185 1.00 1.77 H new ATOM 0 HG SER A 50 -14.025 -13.931 4.411 1.00 2.37 H new ATOM 1027 N GLY A 51 -11.825 -14.996 8.449 1.00 1.42 N ATOM 1028 CA GLY A 51 -11.223 -16.265 8.804 1.00 1.68 C ATOM 1029 C GLY A 51 -11.012 -17.145 7.591 1.00 1.70 C ATOM 1030 O GLY A 51 -10.878 -18.362 7.709 1.00 1.91 O ATOM 0 H GLY A 51 -11.202 -14.192 8.516 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -10.267 -16.089 9.296 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -11.860 -16.782 9.522 1.00 1.68 H new ATOM 1034 N LYS A 52 -10.993 -16.518 6.422 1.00 1.54 N ATOM 1035 CA LYS A 52 -10.798 -17.220 5.175 1.00 1.60 C ATOM 1036 C LYS A 52 -9.345 -17.667 5.061 1.00 1.44 C ATOM 1037 O LYS A 52 -8.439 -16.834 5.069 1.00 1.37 O ATOM 1038 CB LYS A 52 -11.163 -16.284 4.026 1.00 1.62 C ATOM 1039 CG LYS A 52 -11.114 -16.936 2.664 1.00 1.92 C ATOM 1040 CD LYS A 52 -12.265 -17.909 2.457 1.00 1.94 C ATOM 1041 CE LYS A 52 -13.615 -17.204 2.478 1.00 2.59 C ATOM 1042 NZ LYS A 52 -13.741 -16.205 1.381 1.00 3.17 N ATOM 0 H LYS A 52 -11.113 -15.510 6.319 1.00 1.54 H new ATOM 0 HA LYS A 52 -11.433 -18.105 5.136 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -12.166 -15.893 4.194 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -10.483 -15.432 4.035 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -11.146 -16.167 1.892 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -10.167 -17.464 2.549 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -12.139 -18.423 1.504 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -12.241 -18.671 3.236 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -14.411 -17.943 2.388 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -13.749 -16.706 3.438 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -14.737 -15.923 1.281 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -13.165 -15.369 1.605 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -13.409 -16.625 0.489 1.00 3.17 H new ATOM 1056 N PRO A 53 -9.101 -18.980 4.981 1.00 1.49 N ATOM 1057 CA PRO A 53 -7.743 -19.523 4.922 1.00 1.40 C ATOM 1058 C PRO A 53 -7.070 -19.263 3.579 1.00 1.15 C ATOM 1059 O PRO A 53 -7.740 -19.209 2.540 1.00 1.15 O ATOM 1060 CB PRO A 53 -7.952 -21.020 5.142 1.00 1.68 C ATOM 1061 CG PRO A 53 -9.325 -21.282 4.639 1.00 1.84 C ATOM 1062 CD PRO A 53 -10.123 -20.042 4.944 1.00 1.76 C ATOM 0 HA PRO A 53 -7.085 -19.060 5.657 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -7.212 -21.608 4.600 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -7.858 -21.283 6.196 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -9.316 -21.486 3.568 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -9.759 -22.155 5.126 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -10.875 -19.850 4.179 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -10.650 -20.126 5.895 1.00 1.76 H new ATOM 1070 N ASP A 54 -5.755 -19.052 3.636 1.00 1.04 N ATOM 1071 CA ASP A 54 -4.899 -18.848 2.462 1.00 0.90 C ATOM 1072 C ASP A 54 -4.975 -17.400 2.010 1.00 0.68 C ATOM 1073 O ASP A 54 -3.957 -16.733 1.842 1.00 0.97 O ATOM 1074 CB ASP A 54 -5.266 -19.803 1.316 1.00 1.06 C ATOM 1075 CG ASP A 54 -4.422 -19.593 0.073 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -4.964 -19.107 -0.946 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -3.224 -19.934 0.095 1.00 1.60 O ATOM 0 H ASP A 54 -5.242 -19.017 4.517 1.00 1.04 H new ATOM 0 HA ASP A 54 -3.872 -19.075 2.749 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -5.150 -20.832 1.657 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -6.317 -19.668 1.061 1.00 1.06 H new ATOM 1082 N ARG A 55 -6.190 -16.939 1.794 1.00 0.63 N ATOM 1083 CA ARG A 55 -6.451 -15.543 1.459 1.00 0.47 C ATOM 1084 C ARG A 55 -6.136 -14.598 2.610 1.00 0.41 C ATOM 1085 O ARG A 55 -6.242 -14.960 3.786 1.00 0.51 O ATOM 1086 CB ARG A 55 -7.901 -15.381 1.020 1.00 0.64 C ATOM 1087 CG ARG A 55 -8.196 -16.116 -0.270 1.00 1.24 C ATOM 1088 CD ARG A 55 -9.618 -15.890 -0.739 1.00 1.87 C ATOM 1089 NE ARG A 55 -9.781 -16.286 -2.133 1.00 2.57 N ATOM 1090 CZ ARG A 55 -9.575 -15.464 -3.159 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -9.315 -14.178 -2.942 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -9.662 -15.909 -4.401 1.00 4.10 N ATOM 0 H ARG A 55 -7.029 -17.517 1.844 1.00 0.63 H new ATOM 0 HA ARG A 55 -5.786 -15.273 0.639 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -8.560 -15.751 1.805 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -8.123 -14.322 0.891 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -7.502 -15.785 -1.043 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -8.027 -17.183 -0.126 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -10.305 -16.460 -0.113 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -9.879 -14.838 -0.624 1.00 1.87 H new ATOM 0 HE ARG A 55 -10.068 -17.244 -2.332 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -9.273 -13.820 -1.988 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -9.157 -13.550 -3.730 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -9.888 -16.888 -4.577 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -9.503 -15.273 -5.183 1.00 4.10 H new ATOM 1106 N TYR A 56 -5.739 -13.380 2.257 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.383 -12.364 3.235 1.00 0.32 C ATOM 1108 C TYR A 56 -6.240 -11.114 3.066 1.00 0.33 C ATOM 1109 O TYR A 56 -7.092 -11.045 2.177 1.00 0.41 O ATOM 1110 CB TYR A 56 -3.898 -12.011 3.109 1.00 0.34 C ATOM 1111 CG TYR A 56 -2.981 -13.075 3.666 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -2.602 -14.157 2.884 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -2.481 -12.993 4.958 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -1.753 -15.127 3.372 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -1.631 -13.962 5.454 1.00 0.69 C ATOM 1116 CZ TYR A 56 -1.321 -15.036 4.718 1.00 0.77 C ATOM 1117 OH TYR A 56 -0.421 -15.985 5.140 1.00 0.97 O ATOM 0 H TYR A 56 -5.656 -13.072 1.288 1.00 0.35 H new ATOM 0 HA TYR A 56 -5.570 -12.768 4.230 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -3.658 -11.848 2.058 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -3.710 -11.071 3.628 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -2.979 -14.240 1.875 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -2.761 -12.159 5.585 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -1.424 -15.940 2.741 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -1.213 -13.852 6.444 1.00 0.69 H new ATOM 0 HH TYR A 56 -0.193 -15.825 6.080 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.004 -10.135 3.927 1.00 0.32 N ATOM 1128 CA ASP A 57 -6.773 -8.898 3.941 1.00 0.34 C ATOM 1129 C ASP A 57 -5.826 -7.712 4.085 1.00 0.29 C ATOM 1130 O ASP A 57 -4.846 -7.779 4.828 1.00 0.32 O ATOM 1131 CB ASP A 57 -7.772 -8.926 5.104 1.00 0.43 C ATOM 1132 CG ASP A 57 -8.764 -7.784 5.078 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -8.489 -6.747 5.715 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -9.801 -7.899 4.396 1.00 0.99 O ATOM 0 H ASP A 57 -5.273 -10.175 4.637 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.325 -8.799 3.006 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -8.317 -9.870 5.081 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -7.222 -8.897 6.045 1.00 0.43 H new ATOM 1139 N MET A 58 -6.096 -6.639 3.358 1.00 0.27 N ATOM 1140 CA MET A 58 -5.239 -5.459 3.386 1.00 0.26 C ATOM 1141 C MET A 58 -6.098 -4.207 3.311 1.00 0.27 C ATOM 1142 O MET A 58 -7.072 -4.167 2.569 1.00 0.33 O ATOM 1143 CB MET A 58 -4.232 -5.504 2.225 1.00 0.30 C ATOM 1144 CG MET A 58 -3.158 -4.425 2.275 1.00 0.51 C ATOM 1145 SD MET A 58 -3.744 -2.815 1.719 1.00 0.98 S ATOM 1146 CE MET A 58 -2.344 -1.792 2.158 1.00 0.36 C ATOM 0 H MET A 58 -6.903 -6.559 2.739 1.00 0.27 H new ATOM 0 HA MET A 58 -4.675 -5.442 4.319 1.00 0.26 H new ATOM 0 HB2 MET A 58 -3.748 -6.480 2.219 1.00 0.30 H new ATOM 0 HB3 MET A 58 -4.777 -5.413 1.285 1.00 0.30 H new ATOM 0 HG2 MET A 58 -2.788 -4.337 3.296 1.00 0.51 H new ATOM 0 HG3 MET A 58 -2.315 -4.731 1.656 1.00 0.51 H new ATOM 0 HE1 MET A 58 -2.649 -1.059 2.904 1.00 0.36 H new ATOM 0 HE2 MET A 58 -1.550 -2.417 2.567 1.00 0.36 H new ATOM 0 HE3 MET A 58 -1.978 -1.276 1.270 1.00 0.36 H new ATOM 1156 N GLU A 59 -5.752 -3.185 4.073 1.00 0.29 N ATOM 1157 CA GLU A 59 -6.576 -1.990 4.133 1.00 0.32 C ATOM 1158 C GLU A 59 -5.732 -0.722 4.222 1.00 0.31 C ATOM 1159 O GLU A 59 -4.636 -0.722 4.783 1.00 0.31 O ATOM 1160 CB GLU A 59 -7.555 -2.106 5.315 1.00 0.46 C ATOM 1161 CG GLU A 59 -8.439 -0.889 5.536 1.00 1.03 C ATOM 1162 CD GLU A 59 -9.537 -1.148 6.548 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -9.228 -1.320 7.745 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -10.720 -1.180 6.147 1.00 1.11 O ATOM 0 H GLU A 59 -4.914 -3.157 4.654 1.00 0.29 H new ATOM 0 HA GLU A 59 -7.147 -1.911 3.208 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -8.192 -2.976 5.156 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -6.983 -2.292 6.224 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -7.825 -0.055 5.875 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -8.886 -0.591 4.588 1.00 1.03 H new ATOM 1171 N ASN A 60 -6.258 0.353 3.639 1.00 0.36 N ATOM 1172 CA ASN A 60 -5.598 1.652 3.650 1.00 0.42 C ATOM 1173 C ASN A 60 -6.550 2.691 4.205 1.00 0.46 C ATOM 1174 O ASN A 60 -7.453 3.153 3.502 1.00 0.60 O ATOM 1175 CB ASN A 60 -5.164 2.091 2.245 1.00 0.44 C ATOM 1176 CG ASN A 60 -4.223 1.118 1.575 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -3.018 1.182 1.768 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -4.764 0.234 0.755 1.00 1.02 N ATOM 0 H ASN A 60 -7.152 0.346 3.147 1.00 0.36 H new ATOM 0 HA ASN A 60 -4.707 1.562 4.271 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -6.050 2.216 1.622 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -4.680 3.066 2.310 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -4.170 -0.428 0.255 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -5.775 0.214 0.622 1.00 1.02 H new ATOM 1185 N LEU A 61 -6.364 3.038 5.463 1.00 0.38 N ATOM 1186 CA LEU A 61 -7.196 4.042 6.101 1.00 0.39 C ATOM 1187 C LEU A 61 -6.541 5.404 5.988 1.00 0.39 C ATOM 1188 O LEU A 61 -5.447 5.610 6.501 1.00 0.50 O ATOM 1189 CB LEU A 61 -7.424 3.688 7.568 1.00 0.42 C ATOM 1190 CG LEU A 61 -8.250 2.429 7.809 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -8.479 2.225 9.297 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -9.576 2.514 7.062 1.00 1.66 C ATOM 0 H LEU A 61 -5.644 2.640 6.065 1.00 0.38 H new ATOM 0 HA LEU A 61 -8.162 4.070 5.596 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -6.455 3.566 8.051 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -7.919 4.528 8.056 1.00 0.42 H new ATOM 0 HG LEU A 61 -7.699 1.569 7.428 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -9.070 1.323 9.454 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -7.519 2.122 9.802 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -9.013 3.084 9.704 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -10.155 1.608 7.244 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -10.137 3.380 7.414 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -9.386 2.615 5.993 1.00 1.66 H new ATOM 1204 N THR A 62 -7.208 6.332 5.325 1.00 0.34 N ATOM 1205 CA THR A 62 -6.627 7.639 5.086 1.00 0.35 C ATOM 1206 C THR A 62 -7.524 8.715 5.677 1.00 0.37 C ATOM 1207 O THR A 62 -8.409 8.422 6.483 1.00 0.43 O ATOM 1208 CB THR A 62 -6.386 7.919 3.575 1.00 0.36 C ATOM 1209 OG1 THR A 62 -7.591 8.353 2.927 1.00 0.34 O ATOM 1210 CG2 THR A 62 -5.863 6.676 2.867 1.00 0.45 C ATOM 0 H THR A 62 -8.146 6.205 4.945 1.00 0.34 H new ATOM 0 HA THR A 62 -5.652 7.655 5.573 1.00 0.35 H new ATOM 0 HB THR A 62 -5.641 8.712 3.512 1.00 0.36 H new ATOM 0 HG1 THR A 62 -7.917 7.644 2.334 1.00 0.34 H new ATOM 0 HG21 THR A 62 -5.703 6.898 1.812 1.00 0.45 H new ATOM 0 HG22 THR A 62 -4.921 6.369 3.320 1.00 0.45 H new ATOM 0 HG23 THR A 62 -6.591 5.870 2.961 1.00 0.45 H new ATOM 1218 N THR A 63 -7.305 9.951 5.286 1.00 0.42 N ATOM 1219 CA THR A 63 -8.076 11.053 5.810 1.00 0.46 C ATOM 1220 C THR A 63 -9.170 11.459 4.826 1.00 0.46 C ATOM 1221 O THR A 63 -10.147 12.120 5.189 1.00 0.54 O ATOM 1222 CB THR A 63 -7.145 12.238 6.104 1.00 0.50 C ATOM 1223 OG1 THR A 63 -6.468 12.634 4.902 1.00 0.52 O ATOM 1224 CG2 THR A 63 -6.115 11.838 7.152 1.00 0.50 C ATOM 0 H THR A 63 -6.595 10.217 4.603 1.00 0.42 H new ATOM 0 HA THR A 63 -8.557 10.741 6.737 1.00 0.46 H new ATOM 0 HB THR A 63 -7.740 13.071 6.478 1.00 0.50 H new ATOM 0 HG1 THR A 63 -6.002 13.483 5.053 1.00 0.52 H new ATOM 0 HG21 THR A 63 -5.457 12.683 7.357 1.00 0.50 H new ATOM 0 HG22 THR A 63 -6.625 11.544 8.070 1.00 0.50 H new ATOM 0 HG23 THR A 63 -5.525 11.000 6.781 1.00 0.50 H new ATOM 1232 N LYS A 64 -9.014 11.034 3.579 1.00 0.46 N ATOM 1233 CA LYS A 64 -9.931 11.424 2.519 1.00 0.50 C ATOM 1234 C LYS A 64 -10.841 10.274 2.105 1.00 0.49 C ATOM 1235 O LYS A 64 -12.029 10.472 1.856 1.00 0.60 O ATOM 1236 CB LYS A 64 -9.143 11.920 1.306 1.00 0.59 C ATOM 1237 CG LYS A 64 -8.171 13.042 1.629 1.00 0.83 C ATOM 1238 CD LYS A 64 -8.852 14.260 2.258 1.00 0.88 C ATOM 1239 CE LYS A 64 -9.744 15.018 1.273 1.00 1.64 C ATOM 1240 NZ LYS A 64 -11.083 14.391 1.101 1.00 2.24 N ATOM 0 H LYS A 64 -8.259 10.418 3.278 1.00 0.46 H new ATOM 0 HA LYS A 64 -10.561 12.226 2.905 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -8.590 11.085 0.876 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -9.843 12.265 0.545 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -7.406 12.668 2.310 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -7.662 13.349 0.715 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -9.452 13.936 3.108 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -8.090 14.936 2.645 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -9.871 16.043 1.621 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -9.246 15.069 0.305 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -11.798 15.133 0.961 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -11.068 13.763 0.272 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -11.319 13.838 1.950 1.00 2.24 H new ATOM 1254 N LYS A 65 -10.283 9.076 2.038 1.00 0.49 N ATOM 1255 CA LYS A 65 -11.015 7.921 1.537 1.00 0.49 C ATOM 1256 C LYS A 65 -10.364 6.650 2.060 1.00 0.52 C ATOM 1257 O LYS A 65 -9.143 6.521 2.030 1.00 1.09 O ATOM 1258 CB LYS A 65 -11.005 7.943 0.002 1.00 0.73 C ATOM 1259 CG LYS A 65 -12.130 7.158 -0.666 1.00 1.18 C ATOM 1260 CD LYS A 65 -11.943 5.654 -0.558 1.00 1.22 C ATOM 1261 CE LYS A 65 -13.054 4.905 -1.275 1.00 1.36 C ATOM 1262 NZ LYS A 65 -14.364 5.045 -0.589 1.00 1.82 N ATOM 0 H LYS A 65 -9.325 8.877 2.324 1.00 0.49 H new ATOM 0 HA LYS A 65 -12.049 7.952 1.881 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -11.059 8.979 -0.331 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -10.051 7.546 -0.345 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -13.081 7.435 -0.210 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -12.187 7.438 -1.718 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -10.979 5.374 -0.984 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -11.924 5.362 0.492 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -13.140 5.277 -2.296 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -12.793 3.849 -1.342 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -14.799 4.107 -0.476 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -14.222 5.476 0.347 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -14.990 5.651 -1.157 1.00 1.82 H new ATOM 1276 N ASP A 66 -11.163 5.712 2.533 1.00 0.47 N ATOM 1277 CA ASP A 66 -10.621 4.492 3.106 1.00 0.39 C ATOM 1278 C ASP A 66 -10.871 3.317 2.176 1.00 0.43 C ATOM 1279 O ASP A 66 -11.999 3.085 1.736 1.00 0.66 O ATOM 1280 CB ASP A 66 -11.226 4.219 4.486 1.00 0.57 C ATOM 1281 CG ASP A 66 -11.076 5.399 5.426 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -12.087 6.085 5.690 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -9.948 5.657 5.892 1.00 2.12 O ATOM 0 H ASP A 66 -12.181 5.769 2.533 1.00 0.47 H new ATOM 0 HA ASP A 66 -9.546 4.621 3.228 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -12.283 3.978 4.375 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -10.744 3.345 4.925 1.00 0.57 H new ATOM 1288 N THR A 67 -9.813 2.585 1.871 1.00 0.35 N ATOM 1289 CA THR A 67 -9.907 1.439 0.976 1.00 0.32 C ATOM 1290 C THR A 67 -9.696 0.161 1.758 1.00 0.26 C ATOM 1291 O THR A 67 -8.884 0.130 2.684 1.00 0.30 O ATOM 1292 CB THR A 67 -8.863 1.509 -0.154 1.00 0.38 C ATOM 1293 OG1 THR A 67 -7.541 1.423 0.394 1.00 0.38 O ATOM 1294 CG2 THR A 67 -9.000 2.802 -0.931 1.00 0.56 C ATOM 0 H THR A 67 -8.875 2.763 2.230 1.00 0.35 H new ATOM 0 HA THR A 67 -10.901 1.453 0.528 1.00 0.32 H new ATOM 0 HB THR A 67 -9.035 0.671 -0.829 1.00 0.38 H new ATOM 0 HG1 THR A 67 -6.884 1.625 -0.304 1.00 0.38 H new ATOM 0 HG21 THR A 67 -8.253 2.831 -1.724 1.00 0.56 H new ATOM 0 HG22 THR A 67 -9.997 2.860 -1.369 1.00 0.56 H new ATOM 0 HG23 THR A 67 -8.849 3.648 -0.260 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.394 -0.895 1.387 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.278 -2.152 2.100 1.00 0.23 C ATOM 1304 C HIS A 68 -10.228 -3.305 1.113 1.00 0.22 C ATOM 1305 O HIS A 68 -11.258 -3.780 0.636 1.00 0.27 O ATOM 1306 CB HIS A 68 -11.442 -2.334 3.079 1.00 0.32 C ATOM 1307 CG HIS A 68 -11.274 -3.497 4.017 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -12.055 -3.676 5.138 1.00 1.05 N ATOM 1309 CD2 HIS A 68 -10.415 -4.542 3.993 1.00 1.43 C ATOM 1310 CE1 HIS A 68 -11.680 -4.778 5.760 1.00 1.69 C ATOM 1311 NE2 HIS A 68 -10.687 -5.319 5.083 1.00 1.95 N ATOM 0 H HIS A 68 -11.044 -0.908 0.601 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.353 -2.139 2.676 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -11.557 -1.422 3.664 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -12.363 -2.468 2.512 1.00 0.32 H new ATOM 0 HD2 HIS A 68 -9.654 -4.728 3.249 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -12.113 -5.170 6.669 1.00 1.69 H new ATOM 0 HE2 HIS A 68 -10.200 -6.180 5.333 1.00 1.95 H new ATOM 1320 N HIS A 69 -9.022 -3.751 0.824 1.00 0.23 N ATOM 1321 CA HIS A 69 -8.814 -4.899 -0.039 1.00 0.26 C ATOM 1322 C HIS A 69 -9.148 -6.158 0.746 1.00 0.29 C ATOM 1323 O HIS A 69 -8.276 -6.777 1.351 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.362 -4.964 -0.527 1.00 0.32 C ATOM 1325 CG HIS A 69 -6.818 -3.669 -1.054 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.585 -2.718 -1.686 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -5.560 -3.176 -1.036 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -6.820 -1.700 -2.037 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -5.581 -1.954 -1.655 1.00 0.39 N ATOM 0 H HIS A 69 -8.162 -3.331 1.178 1.00 0.23 H new ATOM 0 HA HIS A 69 -9.459 -4.812 -0.914 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -6.731 -5.299 0.296 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -7.290 -5.718 -1.311 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -4.693 -3.659 -0.610 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -7.152 -0.809 -2.550 1.00 0.37 H new ATOM 0 HE2 HIS A 69 -4.776 -1.344 -1.797 1.00 0.39 H new ATOM 1338 N LYS A 70 -10.422 -6.497 0.775 1.00 0.31 N ATOM 1339 CA LYS A 70 -10.903 -7.604 1.576 1.00 0.37 C ATOM 1340 C LYS A 70 -10.879 -8.919 0.804 1.00 0.31 C ATOM 1341 O LYS A 70 -11.398 -9.006 -0.311 1.00 0.33 O ATOM 1342 CB LYS A 70 -12.314 -7.278 2.061 1.00 0.49 C ATOM 1343 CG LYS A 70 -13.243 -6.830 0.944 1.00 1.01 C ATOM 1344 CD LYS A 70 -14.455 -6.097 1.479 1.00 1.00 C ATOM 1345 CE LYS A 70 -14.102 -4.671 1.865 1.00 1.43 C ATOM 1346 NZ LYS A 70 -15.274 -3.920 2.386 1.00 2.30 N ATOM 0 H LYS A 70 -11.149 -6.015 0.247 1.00 0.31 H new ATOM 0 HA LYS A 70 -10.239 -7.737 2.430 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -12.737 -8.158 2.546 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -12.260 -6.494 2.816 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -12.699 -6.181 0.258 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -13.567 -7.699 0.371 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -15.242 -6.089 0.725 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -14.850 -6.625 2.347 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -13.317 -4.686 2.621 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -13.698 -4.152 0.996 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -14.984 -2.953 2.636 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -16.014 -3.882 1.656 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -15.646 -4.399 3.231 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.239 -9.919 1.409 1.00 0.33 N ATOM 1361 CA ASP A 71 -10.227 -11.291 0.887 1.00 0.37 C ATOM 1362 C ASP A 71 -9.523 -11.351 -0.470 1.00 0.33 C ATOM 1363 O ASP A 71 -10.159 -11.485 -1.514 1.00 0.42 O ATOM 1364 CB ASP A 71 -11.667 -11.822 0.788 1.00 0.51 C ATOM 1365 CG ASP A 71 -11.758 -13.306 0.472 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -11.983 -14.110 1.399 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -11.564 -13.681 -0.707 1.00 2.07 O ATOM 0 H ASP A 71 -9.713 -9.804 2.275 1.00 0.33 H new ATOM 0 HA ASP A 71 -9.668 -11.926 1.575 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -12.180 -11.629 1.730 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -12.197 -11.263 0.017 1.00 0.51 H new ATOM 1372 N TRP A 72 -8.204 -11.221 -0.453 1.00 0.29 N ATOM 1373 CA TRP A 72 -7.417 -11.278 -1.679 1.00 0.30 C ATOM 1374 C TRP A 72 -6.300 -12.300 -1.574 1.00 0.31 C ATOM 1375 O TRP A 72 -5.932 -12.727 -0.475 1.00 0.29 O ATOM 1376 CB TRP A 72 -6.814 -9.910 -2.000 1.00 0.30 C ATOM 1377 CG TRP A 72 -5.937 -9.363 -0.911 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.328 -8.565 0.119 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.527 -9.570 -0.740 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.255 -8.262 0.917 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -4.139 -8.867 0.412 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.551 -10.277 -1.441 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -2.826 -8.857 0.871 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.250 -10.255 -0.970 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -1.905 -9.552 0.169 1.00 0.43 C ATOM 0 H TRP A 72 -7.656 -11.075 0.395 1.00 0.29 H new ATOM 0 HA TRP A 72 -8.093 -11.576 -2.480 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -6.232 -9.987 -2.918 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -7.622 -9.204 -2.192 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.338 -8.220 0.284 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.285 -7.679 1.753 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -3.805 -10.830 -2.333 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.552 -8.310 1.761 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.486 -10.800 -1.505 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -0.878 -9.559 0.504 1.00 0.43 H new ATOM 1396 N ALA A 73 -5.780 -12.704 -2.719 1.00 0.41 N ATOM 1397 CA ALA A 73 -4.609 -13.555 -2.772 1.00 0.50 C ATOM 1398 C ALA A 73 -3.552 -12.919 -3.660 1.00 0.48 C ATOM 1399 O ALA A 73 -3.884 -12.192 -4.593 1.00 0.42 O ATOM 1400 CB ALA A 73 -5.006 -14.912 -3.322 1.00 0.55 C ATOM 0 H ALA A 73 -6.156 -12.452 -3.633 1.00 0.41 H new ATOM 0 HA ALA A 73 -4.197 -13.678 -1.770 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -4.129 -15.558 -3.365 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -5.757 -15.362 -2.673 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -5.418 -14.792 -4.324 1.00 0.55 H new ATOM 1406 N LEU A 74 -2.281 -13.144 -3.364 1.00 0.60 N ATOM 1407 CA LEU A 74 -1.249 -12.726 -4.293 1.00 0.67 C ATOM 1408 C LEU A 74 -1.365 -13.536 -5.583 1.00 0.57 C ATOM 1409 O LEU A 74 -1.745 -14.712 -5.574 1.00 0.56 O ATOM 1410 CB LEU A 74 0.188 -12.761 -3.705 1.00 0.95 C ATOM 1411 CG LEU A 74 0.581 -13.907 -2.754 1.00 0.68 C ATOM 1412 CD1 LEU A 74 0.101 -13.640 -1.331 1.00 1.28 C ATOM 1413 CD2 LEU A 74 0.071 -15.245 -3.260 1.00 1.71 C ATOM 0 H LEU A 74 -1.948 -13.600 -2.514 1.00 0.60 H new ATOM 0 HA LEU A 74 -1.421 -11.672 -4.512 1.00 0.67 H new ATOM 0 HB2 LEU A 74 0.885 -12.776 -4.543 1.00 0.95 H new ATOM 0 HB3 LEU A 74 0.348 -11.823 -3.173 1.00 0.95 H new ATOM 0 HG LEU A 74 1.670 -13.953 -2.733 1.00 0.68 H new ATOM 0 HD11 LEU A 74 0.395 -14.468 -0.686 1.00 1.28 H new ATOM 0 HD12 LEU A 74 0.549 -12.717 -0.963 1.00 1.28 H new ATOM 0 HD13 LEU A 74 -0.985 -13.544 -1.325 1.00 1.28 H new ATOM 0 HD21 LEU A 74 0.365 -16.033 -2.566 1.00 1.71 H new ATOM 0 HD22 LEU A 74 -1.016 -15.215 -3.335 1.00 1.71 H new ATOM 0 HD23 LEU A 74 0.497 -15.449 -4.242 1.00 1.71 H new ATOM 1425 N GLY A 75 -1.068 -12.881 -6.681 1.00 0.58 N ATOM 1426 CA GLY A 75 -1.337 -13.437 -7.983 1.00 0.56 C ATOM 1427 C GLY A 75 -2.759 -13.150 -8.436 1.00 0.51 C ATOM 1428 O GLY A 75 -3.145 -13.506 -9.551 1.00 0.59 O ATOM 0 H GLY A 75 -0.637 -11.957 -6.696 1.00 0.58 H new ATOM 0 HA2 GLY A 75 -0.635 -13.024 -8.707 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -1.174 -14.514 -7.959 1.00 0.56 H new ATOM 1432 N GLU A 76 -3.541 -12.498 -7.572 1.00 0.42 N ATOM 1433 CA GLU A 76 -4.946 -12.232 -7.857 1.00 0.40 C ATOM 1434 C GLU A 76 -5.178 -10.758 -8.207 1.00 0.36 C ATOM 1435 O GLU A 76 -4.438 -9.874 -7.771 1.00 0.47 O ATOM 1436 CB GLU A 76 -5.822 -12.647 -6.666 1.00 0.44 C ATOM 1437 CG GLU A 76 -7.308 -12.452 -6.901 1.00 0.92 C ATOM 1438 CD GLU A 76 -8.166 -12.939 -5.757 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -8.084 -12.349 -4.661 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -8.914 -13.921 -5.935 1.00 1.59 O ATOM 0 H GLU A 76 -3.221 -12.146 -6.670 1.00 0.42 H new ATOM 0 HA GLU A 76 -5.229 -12.827 -8.725 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -5.635 -13.696 -6.437 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -5.524 -12.071 -5.790 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -7.506 -11.393 -7.068 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -7.596 -12.978 -7.811 1.00 0.92 H new ATOM 1447 N GLU A 77 -6.224 -10.519 -8.989 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.603 -9.182 -9.432 1.00 0.43 C ATOM 1449 C GLU A 77 -8.082 -8.957 -9.111 1.00 0.44 C ATOM 1450 O GLU A 77 -8.944 -9.692 -9.594 1.00 0.54 O ATOM 1451 CB GLU A 77 -6.354 -9.043 -10.940 1.00 0.53 C ATOM 1452 CG GLU A 77 -6.799 -7.711 -11.525 1.00 0.74 C ATOM 1453 CD GLU A 77 -6.622 -7.653 -13.031 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -5.630 -7.058 -13.502 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -7.477 -8.199 -13.754 1.00 0.90 O ATOM 0 H GLU A 77 -6.839 -11.255 -9.337 1.00 0.39 H new ATOM 0 HA GLU A 77 -6.003 -8.433 -8.915 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -5.290 -9.175 -11.135 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -6.876 -9.847 -11.459 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -7.847 -7.541 -11.278 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -6.228 -6.905 -11.063 1.00 0.74 H new ATOM 1462 N PHE A 78 -8.367 -7.963 -8.289 1.00 0.39 N ATOM 1463 CA PHE A 78 -9.721 -7.731 -7.797 1.00 0.41 C ATOM 1464 C PHE A 78 -10.083 -6.255 -7.896 1.00 0.42 C ATOM 1465 O PHE A 78 -9.204 -5.405 -7.933 1.00 0.42 O ATOM 1466 CB PHE A 78 -9.815 -8.195 -6.341 1.00 0.44 C ATOM 1467 CG PHE A 78 -8.772 -7.589 -5.440 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -7.548 -8.215 -5.261 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -9.015 -6.398 -4.776 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -6.587 -7.663 -4.437 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -8.058 -5.842 -3.953 1.00 0.57 C ATOM 1472 CZ PHE A 78 -6.844 -6.474 -3.782 1.00 0.52 C ATOM 0 H PHE A 78 -7.676 -7.297 -7.944 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.423 -8.297 -8.410 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -10.804 -7.948 -5.954 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -9.723 -9.281 -6.309 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -7.344 -9.145 -5.772 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -9.964 -5.899 -4.904 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -5.637 -8.159 -4.305 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -8.259 -4.912 -3.442 1.00 0.57 H new ATOM 0 HZ PHE A 78 -6.095 -6.040 -3.137 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.374 -5.953 -7.933 1.00 0.46 N ATOM 1483 CA GLN A 79 -11.817 -4.564 -7.952 1.00 0.51 C ATOM 1484 C GLN A 79 -11.903 -4.022 -6.535 1.00 0.50 C ATOM 1485 O GLN A 79 -12.122 -4.778 -5.583 1.00 0.54 O ATOM 1486 CB GLN A 79 -13.166 -4.401 -8.661 1.00 0.62 C ATOM 1487 CG GLN A 79 -13.082 -4.444 -10.182 1.00 1.00 C ATOM 1488 CD GLN A 79 -12.834 -5.838 -10.725 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -11.691 -6.247 -10.929 1.00 1.95 O ATOM 1490 NE2 GLN A 79 -13.904 -6.579 -10.954 1.00 1.94 N ATOM 0 H GLN A 79 -12.126 -6.642 -7.950 1.00 0.46 H new ATOM 0 HA GLN A 79 -11.079 -3.993 -8.515 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -13.839 -5.189 -8.323 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -13.610 -3.452 -8.360 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -14.010 -4.057 -10.602 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -12.281 -3.783 -10.515 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -14.834 -6.202 -10.771 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -13.800 -7.528 -11.313 1.00 1.94 H new ATOM 1499 N ASP A 80 -11.737 -2.717 -6.401 1.00 0.49 N ATOM 1500 CA ASP A 80 -11.680 -2.089 -5.091 1.00 0.49 C ATOM 1501 C ASP A 80 -12.134 -0.635 -5.174 1.00 0.52 C ATOM 1502 O ASP A 80 -12.047 -0.003 -6.243 1.00 0.63 O ATOM 1503 CB ASP A 80 -10.248 -2.162 -4.553 1.00 0.63 C ATOM 1504 CG ASP A 80 -10.143 -1.852 -3.072 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -10.327 -2.767 -2.250 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -9.916 -0.671 -2.724 1.00 1.26 O ATOM 0 H ASP A 80 -11.639 -2.071 -7.184 1.00 0.49 H new ATOM 0 HA ASP A 80 -12.350 -2.619 -4.414 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -9.849 -3.160 -4.737 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -9.623 -1.462 -5.108 1.00 0.63 H new ATOM 1511 N GLU A 81 -12.613 -0.118 -4.045 1.00 0.53 N ATOM 1512 CA GLU A 81 -13.043 1.268 -3.947 1.00 0.65 C ATOM 1513 C GLU A 81 -11.864 2.117 -3.499 1.00 0.63 C ATOM 1514 O GLU A 81 -11.678 2.399 -2.317 1.00 0.82 O ATOM 1515 CB GLU A 81 -14.232 1.406 -2.981 1.00 0.81 C ATOM 1516 CG GLU A 81 -13.976 0.849 -1.589 1.00 1.64 C ATOM 1517 CD GLU A 81 -15.146 1.045 -0.650 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -15.722 0.033 -0.196 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -15.490 2.211 -0.349 1.00 1.81 O ATOM 0 H GLU A 81 -12.712 -0.647 -3.179 1.00 0.53 H new ATOM 0 HA GLU A 81 -13.383 1.616 -4.923 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -14.495 2.460 -2.895 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -15.095 0.897 -3.410 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -13.752 -0.215 -1.665 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -13.094 1.331 -1.167 1.00 1.64 H new ATOM 1526 N ALA A 82 -11.070 2.519 -4.468 1.00 0.61 N ATOM 1527 CA ALA A 82 -9.779 3.116 -4.204 1.00 0.67 C ATOM 1528 C ALA A 82 -9.876 4.539 -3.667 1.00 0.60 C ATOM 1529 O ALA A 82 -10.958 5.129 -3.646 1.00 0.59 O ATOM 1530 CB ALA A 82 -8.953 3.086 -5.461 1.00 0.95 C ATOM 0 H ALA A 82 -11.301 2.441 -5.459 1.00 0.61 H new ATOM 0 HA ALA A 82 -9.301 2.527 -3.422 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -7.979 3.535 -5.267 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -8.819 2.054 -5.784 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -9.462 3.648 -6.244 1.00 0.95 H new ATOM 1536 N LEU A 83 -8.734 5.085 -3.248 1.00 0.60 N ATOM 1537 CA LEU A 83 -8.677 6.426 -2.664 1.00 0.58 C ATOM 1538 C LEU A 83 -9.294 7.448 -3.609 1.00 0.59 C ATOM 1539 O LEU A 83 -9.891 8.433 -3.178 1.00 0.62 O ATOM 1540 CB LEU A 83 -7.228 6.854 -2.348 1.00 0.66 C ATOM 1541 CG LEU A 83 -6.418 5.954 -1.401 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -7.219 5.633 -0.157 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -5.939 4.683 -2.091 1.00 1.34 C ATOM 0 H LEU A 83 -7.830 4.616 -3.303 1.00 0.60 H new ATOM 0 HA LEU A 83 -9.242 6.389 -1.733 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -6.685 6.928 -3.290 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -7.258 7.855 -1.918 1.00 0.66 H new ATOM 0 HG LEU A 83 -5.527 6.508 -1.104 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -6.629 4.995 0.501 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -7.470 6.558 0.363 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -8.136 5.115 -0.438 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -5.371 4.077 -1.385 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -6.799 4.115 -2.446 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -5.303 4.946 -2.937 1.00 1.34 H new ATOM 1555 N ASP A 84 -9.179 7.181 -4.902 1.00 0.60 N ATOM 1556 CA ASP A 84 -9.623 8.130 -5.916 1.00 0.67 C ATOM 1557 C ASP A 84 -11.112 7.962 -6.213 1.00 0.69 C ATOM 1558 O ASP A 84 -11.626 8.495 -7.198 1.00 0.78 O ATOM 1559 CB ASP A 84 -8.783 7.998 -7.197 1.00 0.70 C ATOM 1560 CG ASP A 84 -8.912 6.648 -7.878 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -8.474 5.638 -7.284 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -9.472 6.587 -8.992 1.00 1.39 O ATOM 0 H ASP A 84 -8.783 6.318 -5.274 1.00 0.60 H new ATOM 0 HA ASP A 84 -9.476 9.135 -5.522 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -9.081 8.778 -7.898 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -7.735 8.173 -6.953 1.00 0.70 H new ATOM 1567 N SER A 85 -11.790 7.216 -5.338 1.00 0.67 N ATOM 1568 CA SER A 85 -13.243 7.077 -5.359 1.00 0.74 C ATOM 1569 C SER A 85 -13.715 6.406 -6.646 1.00 0.77 C ATOM 1570 O SER A 85 -14.646 6.870 -7.307 1.00 1.09 O ATOM 1571 CB SER A 85 -13.913 8.450 -5.183 1.00 0.84 C ATOM 1572 OG SER A 85 -15.323 8.328 -5.044 1.00 1.21 O ATOM 0 H SER A 85 -11.340 6.688 -4.590 1.00 0.67 H new ATOM 0 HA SER A 85 -13.535 6.438 -4.526 1.00 0.74 H new ATOM 0 HB2 SER A 85 -13.501 8.947 -4.304 1.00 0.84 H new ATOM 0 HB3 SER A 85 -13.684 9.080 -6.042 1.00 0.84 H new ATOM 0 HG SER A 85 -15.687 7.841 -5.813 1.00 1.21 H new ATOM 1578 N THR A 86 -13.057 5.316 -7.002 1.00 0.67 N ATOM 1579 CA THR A 86 -13.455 4.524 -8.150 1.00 0.67 C ATOM 1580 C THR A 86 -13.498 3.057 -7.778 1.00 0.66 C ATOM 1581 O THR A 86 -13.022 2.668 -6.712 1.00 0.76 O ATOM 1582 CB THR A 86 -12.494 4.714 -9.333 1.00 0.76 C ATOM 1583 OG1 THR A 86 -11.141 4.573 -8.890 1.00 0.86 O ATOM 1584 CG2 THR A 86 -12.696 6.071 -9.982 1.00 0.93 C ATOM 0 H THR A 86 -12.239 4.959 -6.508 1.00 0.67 H new ATOM 0 HA THR A 86 -14.445 4.864 -8.453 1.00 0.67 H new ATOM 0 HB THR A 86 -12.707 3.947 -10.078 1.00 0.76 H new ATOM 0 HG1 THR A 86 -10.583 5.255 -9.319 1.00 0.86 H new ATOM 0 HG21 THR A 86 -12.004 6.182 -10.817 1.00 0.93 H new ATOM 0 HG22 THR A 86 -13.720 6.151 -10.346 1.00 0.93 H new ATOM 0 HG23 THR A 86 -12.509 6.856 -9.249 1.00 0.93 H new ATOM 1592 N GLN A 87 -14.067 2.249 -8.655 1.00 0.68 N ATOM 1593 CA GLN A 87 -14.147 0.814 -8.436 1.00 0.76 C ATOM 1594 C GLN A 87 -13.147 0.117 -9.335 1.00 0.66 C ATOM 1595 O GLN A 87 -13.509 -0.752 -10.128 1.00 0.89 O ATOM 1596 CB GLN A 87 -15.552 0.305 -8.752 1.00 1.02 C ATOM 1597 CG GLN A 87 -16.648 0.990 -7.965 1.00 0.98 C ATOM 1598 CD GLN A 87 -16.521 0.759 -6.478 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -15.848 1.662 -5.790 1.00 1.88 O flip ATOM 1600 NE2 GLN A 87 -17.038 -0.222 -5.947 1.00 1.33 N flip ATOM 0 H GLN A 87 -14.483 2.564 -9.531 1.00 0.68 H new ATOM 0 HA GLN A 87 -13.922 0.601 -7.391 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -15.745 0.440 -9.816 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -15.592 -0.766 -8.554 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -16.621 2.061 -8.167 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -17.617 0.626 -8.305 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -17.550 -0.898 -6.514 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -16.955 -0.360 -4.940 1.00 1.33 H new ATOM 1609 N HIS A 88 -11.889 0.495 -9.209 1.00 0.54 N ATOM 1610 CA HIS A 88 -10.903 0.048 -10.181 1.00 0.53 C ATOM 1611 C HIS A 88 -10.197 -1.205 -9.727 1.00 0.49 C ATOM 1612 O HIS A 88 -10.214 -1.551 -8.549 1.00 0.51 O ATOM 1613 CB HIS A 88 -9.898 1.129 -10.571 1.00 0.63 C ATOM 1614 CG HIS A 88 -8.934 1.565 -9.518 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -8.772 2.769 -8.949 1.00 0.75 N flip ATOM 1616 CD2 HIS A 88 -7.946 0.756 -8.998 1.00 1.04 C flip ATOM 1617 CE1 HIS A 88 -7.695 2.684 -8.107 1.00 0.73 C flip ATOM 1618 NE2 HIS A 88 -7.218 1.456 -8.150 1.00 0.97 N flip ATOM 0 H HIS A 88 -11.530 1.094 -8.466 1.00 0.54 H new ATOM 0 HA HIS A 88 -11.470 -0.185 -11.082 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -9.326 0.768 -11.426 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -10.454 2.005 -10.906 1.00 0.63 H new ATOM 0 HD1 HIS A 88 -9.346 3.596 -9.113 1.00 0.75 H new ATOM 0 HD2 HIS A 88 -7.793 -0.284 -9.245 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -7.301 3.491 -7.506 1.00 0.73 H new ATOM 1627 N LYS A 89 -9.557 -1.875 -10.673 1.00 0.49 N ATOM 1628 CA LYS A 89 -8.984 -3.170 -10.412 1.00 0.49 C ATOM 1629 C LYS A 89 -7.607 -3.024 -9.791 1.00 0.45 C ATOM 1630 O LYS A 89 -6.903 -2.031 -10.010 1.00 0.50 O ATOM 1631 CB LYS A 89 -8.931 -4.002 -11.693 1.00 0.61 C ATOM 1632 CG LYS A 89 -7.846 -3.591 -12.668 1.00 1.06 C ATOM 1633 CD LYS A 89 -7.785 -4.557 -13.833 1.00 1.08 C ATOM 1634 CE LYS A 89 -6.602 -4.277 -14.733 1.00 1.15 C ATOM 1635 NZ LYS A 89 -6.397 -5.365 -15.724 1.00 1.49 N ATOM 0 H LYS A 89 -9.426 -1.536 -11.626 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.619 -3.697 -9.700 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -8.783 -5.048 -11.425 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -9.896 -3.935 -12.195 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -8.041 -2.583 -13.034 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -6.883 -3.565 -12.159 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -7.721 -5.578 -13.456 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -8.706 -4.488 -14.411 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -6.757 -3.333 -15.256 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -5.703 -4.162 -14.127 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -5.680 -5.072 -16.418 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -6.075 -6.224 -15.235 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -7.293 -5.561 -16.214 1.00 1.49 H new ATOM 1649 N ILE A 90 -7.254 -4.002 -8.992 1.00 0.38 N ATOM 1650 CA ILE A 90 -6.018 -4.003 -8.251 1.00 0.35 C ATOM 1651 C ILE A 90 -5.446 -5.409 -8.196 1.00 0.34 C ATOM 1652 O ILE A 90 -6.166 -6.372 -7.944 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.244 -3.478 -6.819 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -6.501 -1.969 -6.851 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -5.061 -3.816 -5.930 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -6.817 -1.372 -5.503 1.00 0.54 C ATOM 0 H ILE A 90 -7.827 -4.832 -8.837 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.312 -3.345 -8.758 1.00 0.35 H new ATOM 0 HB ILE A 90 -7.122 -3.967 -6.397 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -5.623 -1.470 -7.261 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -7.329 -1.766 -7.530 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.241 -3.436 -4.924 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -4.932 -4.898 -5.892 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.159 -3.357 -6.335 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -6.986 -0.301 -5.610 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -7.713 -1.842 -5.098 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -5.980 -1.541 -4.825 1.00 0.54 H new ATOM 1668 N THR A 91 -4.160 -5.523 -8.451 1.00 0.30 N ATOM 1669 CA THR A 91 -3.494 -6.803 -8.400 1.00 0.30 C ATOM 1670 C THR A 91 -2.484 -6.834 -7.262 1.00 0.28 C ATOM 1671 O THR A 91 -1.692 -5.903 -7.096 1.00 0.31 O ATOM 1672 CB THR A 91 -2.774 -7.097 -9.727 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.658 -6.837 -10.820 1.00 0.43 O ATOM 1674 CG2 THR A 91 -2.295 -8.540 -9.789 1.00 0.37 C ATOM 0 H THR A 91 -3.554 -4.740 -8.697 1.00 0.30 H new ATOM 0 HA THR A 91 -4.253 -7.567 -8.230 1.00 0.30 H new ATOM 0 HB THR A 91 -1.902 -6.447 -9.792 1.00 0.33 H new ATOM 0 HG1 THR A 91 -3.197 -7.023 -11.665 1.00 0.43 H new ATOM 0 HG21 THR A 91 -1.790 -8.715 -10.739 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.601 -8.729 -8.970 1.00 0.37 H new ATOM 0 HG23 THR A 91 -3.150 -9.211 -9.703 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.533 -7.894 -6.480 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.540 -8.128 -5.451 1.00 0.33 C ATOM 1684 C PHE A 92 -0.658 -9.268 -5.895 1.00 0.39 C ATOM 1685 O PHE A 92 -1.154 -10.264 -6.404 1.00 0.50 O ATOM 1686 CB PHE A 92 -2.184 -8.463 -4.107 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.345 -7.276 -3.200 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -3.464 -6.462 -3.301 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.383 -6.970 -2.257 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -3.615 -5.365 -2.476 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -1.531 -5.875 -1.431 1.00 0.46 C ATOM 1692 CZ PHE A 92 -2.636 -5.098 -1.505 1.00 0.52 C ATOM 0 H PHE A 92 -3.256 -8.612 -6.539 1.00 0.30 H new ATOM 0 HA PHE A 92 -0.956 -7.218 -5.312 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -3.163 -8.908 -4.285 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -1.578 -9.215 -3.602 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -4.225 -6.689 -4.033 1.00 0.49 H new ATOM 0 HD2 PHE A 92 -0.506 -7.594 -2.165 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -4.476 -4.720 -2.576 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -0.756 -5.635 -0.718 1.00 0.46 H new ATOM 0 HZ PHE A 92 -2.765 -4.274 -0.819 1.00 0.52 H new ATOM 1702 N ASP A 93 0.637 -9.120 -5.728 1.00 0.37 N ATOM 1703 CA ASP A 93 1.573 -10.129 -6.186 1.00 0.43 C ATOM 1704 C ASP A 93 2.879 -9.992 -5.429 1.00 0.36 C ATOM 1705 O ASP A 93 3.256 -8.887 -5.046 1.00 0.39 O ATOM 1706 CB ASP A 93 1.813 -9.963 -7.686 1.00 0.58 C ATOM 1707 CG ASP A 93 2.638 -11.083 -8.283 1.00 0.80 C ATOM 1708 OD1 ASP A 93 2.087 -12.181 -8.502 1.00 1.69 O ATOM 1709 OD2 ASP A 93 3.834 -10.866 -8.553 1.00 1.24 O ATOM 0 H ASP A 93 1.069 -8.312 -5.279 1.00 0.37 H new ATOM 0 HA ASP A 93 1.159 -11.120 -6.002 1.00 0.43 H new ATOM 0 HB2 ASP A 93 0.852 -9.915 -8.198 1.00 0.58 H new ATOM 0 HB3 ASP A 93 2.317 -9.013 -7.864 1.00 0.58 H new ATOM 1714 N LEU A 94 3.559 -11.095 -5.192 1.00 0.42 N ATOM 1715 CA LEU A 94 4.833 -11.035 -4.505 1.00 0.51 C ATOM 1716 C LEU A 94 5.976 -11.000 -5.494 1.00 0.56 C ATOM 1717 O LEU A 94 6.150 -11.914 -6.298 1.00 0.63 O ATOM 1718 CB LEU A 94 5.008 -12.189 -3.536 1.00 0.61 C ATOM 1719 CG LEU A 94 4.966 -11.756 -2.078 1.00 0.64 C ATOM 1720 CD1 LEU A 94 3.557 -11.377 -1.675 1.00 1.02 C ATOM 1721 CD2 LEU A 94 5.521 -12.835 -1.183 1.00 1.12 C ATOM 0 H LEU A 94 3.257 -12.031 -5.460 1.00 0.42 H new ATOM 0 HA LEU A 94 4.843 -10.112 -3.925 1.00 0.51 H new ATOM 0 HB2 LEU A 94 4.224 -12.926 -3.713 1.00 0.61 H new ATOM 0 HB3 LEU A 94 5.960 -12.682 -3.735 1.00 0.61 H new ATOM 0 HG LEU A 94 5.596 -10.874 -1.962 1.00 0.64 H new ATOM 0 HD11 LEU A 94 3.548 -11.070 -0.629 1.00 1.02 H new ATOM 0 HD12 LEU A 94 3.210 -10.553 -2.298 1.00 1.02 H new ATOM 0 HD13 LEU A 94 2.898 -12.235 -1.807 1.00 1.02 H new ATOM 0 HD21 LEU A 94 5.481 -12.503 -0.145 1.00 1.12 H new ATOM 0 HD22 LEU A 94 4.928 -13.743 -1.297 1.00 1.12 H new ATOM 0 HD23 LEU A 94 6.555 -13.040 -1.459 1.00 1.12 H new ATOM 1733 N LYS A 95 6.766 -9.953 -5.399 1.00 0.58 N ATOM 1734 CA LYS A 95 7.872 -9.743 -6.316 1.00 0.66 C ATOM 1735 C LYS A 95 9.085 -10.505 -5.806 1.00 0.69 C ATOM 1736 O LYS A 95 9.749 -11.230 -6.549 1.00 0.78 O ATOM 1737 CB LYS A 95 8.173 -8.241 -6.428 1.00 0.70 C ATOM 1738 CG LYS A 95 9.464 -7.920 -7.159 1.00 0.91 C ATOM 1739 CD LYS A 95 9.441 -8.409 -8.595 1.00 1.61 C ATOM 1740 CE LYS A 95 10.843 -8.474 -9.170 1.00 2.08 C ATOM 1741 NZ LYS A 95 11.690 -9.448 -8.429 1.00 3.03 N ATOM 0 H LYS A 95 6.664 -9.226 -4.690 1.00 0.58 H new ATOM 0 HA LYS A 95 7.614 -10.112 -7.309 1.00 0.66 H new ATOM 0 HB2 LYS A 95 7.346 -7.753 -6.943 1.00 0.70 H new ATOM 0 HB3 LYS A 95 8.220 -7.815 -5.426 1.00 0.70 H new ATOM 0 HG2 LYS A 95 9.630 -6.843 -7.146 1.00 0.91 H new ATOM 0 HG3 LYS A 95 10.302 -8.378 -6.633 1.00 0.91 H new ATOM 0 HD2 LYS A 95 8.980 -9.396 -8.640 1.00 1.61 H new ATOM 0 HD3 LYS A 95 8.827 -7.742 -9.200 1.00 1.61 H new ATOM 0 HE2 LYS A 95 10.794 -8.758 -10.221 1.00 2.08 H new ATOM 0 HE3 LYS A 95 11.301 -7.486 -9.128 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 12.535 -9.673 -8.993 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 11.980 -9.034 -7.520 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 11.148 -10.318 -8.256 1.00 3.03 H new ATOM 1755 N ASP A 96 9.351 -10.331 -4.524 1.00 0.65 N ATOM 1756 CA ASP A 96 10.402 -11.054 -3.832 1.00 0.70 C ATOM 1757 C ASP A 96 9.886 -11.412 -2.443 1.00 0.65 C ATOM 1758 O ASP A 96 8.877 -10.860 -2.004 1.00 0.60 O ATOM 1759 CB ASP A 96 11.671 -10.193 -3.715 1.00 0.76 C ATOM 1760 CG ASP A 96 12.365 -9.953 -5.045 1.00 1.09 C ATOM 1761 OD1 ASP A 96 11.986 -9.005 -5.765 1.00 1.03 O ATOM 1762 OD2 ASP A 96 13.315 -10.699 -5.367 1.00 1.79 O ATOM 0 H ASP A 96 8.840 -9.679 -3.929 1.00 0.65 H new ATOM 0 HA ASP A 96 10.662 -11.954 -4.390 1.00 0.70 H new ATOM 0 HB2 ASP A 96 11.409 -9.232 -3.272 1.00 0.76 H new ATOM 0 HB3 ASP A 96 12.369 -10.679 -3.033 1.00 0.76 H new ATOM 1767 N PRO A 97 10.563 -12.319 -1.722 1.00 0.73 N ATOM 1768 CA PRO A 97 10.133 -12.757 -0.386 1.00 0.76 C ATOM 1769 C PRO A 97 10.318 -11.665 0.664 1.00 0.66 C ATOM 1770 O PRO A 97 10.135 -11.894 1.859 1.00 0.73 O ATOM 1771 CB PRO A 97 11.044 -13.957 -0.081 1.00 0.91 C ATOM 1772 CG PRO A 97 11.691 -14.299 -1.382 1.00 0.98 C ATOM 1773 CD PRO A 97 11.790 -13.006 -2.131 1.00 0.87 C ATOM 0 HA PRO A 97 9.071 -13.003 -0.362 1.00 0.76 H new ATOM 0 HB2 PRO A 97 11.788 -13.704 0.674 1.00 0.91 H new ATOM 0 HB3 PRO A 97 10.470 -14.799 0.306 1.00 0.91 H new ATOM 0 HG2 PRO A 97 12.676 -14.739 -1.227 1.00 0.98 H new ATOM 0 HG3 PRO A 97 11.099 -15.029 -1.935 1.00 0.98 H new ATOM 0 HD2 PRO A 97 12.683 -12.444 -1.857 1.00 0.87 H new ATOM 0 HD3 PRO A 97 11.830 -13.162 -3.209 1.00 0.87 H new ATOM 1781 N ASN A 98 10.690 -10.481 0.198 1.00 0.57 N ATOM 1782 CA ASN A 98 10.839 -9.319 1.055 1.00 0.55 C ATOM 1783 C ASN A 98 10.246 -8.093 0.353 1.00 0.46 C ATOM 1784 O ASN A 98 10.488 -6.952 0.738 1.00 0.50 O ATOM 1785 CB ASN A 98 12.320 -9.099 1.406 1.00 0.68 C ATOM 1786 CG ASN A 98 12.534 -8.023 2.462 1.00 1.38 C ATOM 1787 OD1 ASN A 98 12.766 -6.856 2.143 1.00 2.32 O ATOM 1788 ND2 ASN A 98 12.460 -8.404 3.727 1.00 1.91 N ATOM 0 H ASN A 98 10.896 -10.302 -0.785 1.00 0.57 H new ATOM 0 HA ASN A 98 10.300 -9.481 1.989 1.00 0.55 H new ATOM 0 HB2 ASN A 98 12.745 -10.037 1.762 1.00 0.68 H new ATOM 0 HB3 ASN A 98 12.864 -8.825 0.502 1.00 0.68 H new ATOM 0 HD21 ASN A 98 12.597 -7.723 4.474 1.00 1.91 H new ATOM 0 HD22 ASN A 98 12.266 -9.379 3.955 1.00 1.91 H new ATOM 1795 N THR A 99 9.450 -8.334 -0.689 1.00 0.43 N ATOM 1796 CA THR A 99 8.816 -7.244 -1.419 1.00 0.39 C ATOM 1797 C THR A 99 7.490 -7.675 -2.055 1.00 0.33 C ATOM 1798 O THR A 99 7.458 -8.453 -3.012 1.00 0.37 O ATOM 1799 CB THR A 99 9.743 -6.671 -2.510 1.00 0.48 C ATOM 1800 OG1 THR A 99 11.007 -6.308 -1.935 1.00 0.56 O ATOM 1801 CG2 THR A 99 9.112 -5.448 -3.161 1.00 0.51 C ATOM 0 H THR A 99 9.232 -9.266 -1.041 1.00 0.43 H new ATOM 0 HA THR A 99 8.614 -6.466 -0.683 1.00 0.39 H new ATOM 0 HB THR A 99 9.894 -7.437 -3.271 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.663 -7.013 -2.116 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.781 -5.058 -3.928 1.00 0.51 H new ATOM 0 HG22 THR A 99 8.162 -5.728 -3.616 1.00 0.51 H new ATOM 0 HG23 THR A 99 8.940 -4.681 -2.405 1.00 0.51 H new ATOM 1809 N LEU A 100 6.406 -7.158 -1.498 1.00 0.28 N ATOM 1810 CA LEU A 100 5.067 -7.330 -2.052 1.00 0.26 C ATOM 1811 C LEU A 100 4.854 -6.256 -3.128 1.00 0.27 C ATOM 1812 O LEU A 100 5.485 -5.211 -3.067 1.00 0.34 O ATOM 1813 CB LEU A 100 4.040 -7.142 -0.926 1.00 0.28 C ATOM 1814 CG LEU A 100 2.861 -8.119 -0.893 1.00 0.45 C ATOM 1815 CD1 LEU A 100 1.992 -7.845 0.325 1.00 1.10 C ATOM 1816 CD2 LEU A 100 2.030 -8.029 -2.161 1.00 1.10 C ATOM 0 H LEU A 100 6.428 -6.603 -0.643 1.00 0.28 H new ATOM 0 HA LEU A 100 4.951 -8.323 -2.487 1.00 0.26 H new ATOM 0 HB2 LEU A 100 4.565 -7.211 0.027 1.00 0.28 H new ATOM 0 HB3 LEU A 100 3.640 -6.130 -0.997 1.00 0.28 H new ATOM 0 HG LEU A 100 3.263 -9.130 -0.829 1.00 0.45 H new ATOM 0 HD11 LEU A 100 1.156 -8.544 0.340 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.586 -7.969 1.231 1.00 1.10 H new ATOM 0 HD13 LEU A 100 1.611 -6.825 0.278 1.00 1.10 H new ATOM 0 HD21 LEU A 100 1.202 -8.736 -2.104 1.00 1.10 H new ATOM 0 HD22 LEU A 100 1.638 -7.018 -2.268 1.00 1.10 H new ATOM 0 HD23 LEU A 100 2.653 -8.269 -3.022 1.00 1.10 H new ATOM 1828 N THR A 101 4.000 -6.491 -4.112 1.00 0.29 N ATOM 1829 CA THR A 101 3.665 -5.448 -5.079 1.00 0.31 C ATOM 1830 C THR A 101 2.155 -5.281 -5.205 1.00 0.30 C ATOM 1831 O THR A 101 1.419 -6.263 -5.335 1.00 0.31 O ATOM 1832 CB THR A 101 4.271 -5.729 -6.473 1.00 0.36 C ATOM 1833 OG1 THR A 101 4.100 -7.105 -6.841 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.745 -5.366 -6.496 1.00 0.41 C ATOM 0 H THR A 101 3.529 -7.383 -4.265 1.00 0.29 H new ATOM 0 HA THR A 101 4.099 -4.523 -4.699 1.00 0.31 H new ATOM 0 HB THR A 101 3.742 -5.110 -7.198 1.00 0.36 H new ATOM 0 HG1 THR A 101 3.492 -7.540 -6.207 1.00 0.36 H new ATOM 0 HG21 THR A 101 6.155 -5.571 -7.485 1.00 0.41 H new ATOM 0 HG22 THR A 101 5.863 -4.307 -6.266 1.00 0.41 H new ATOM 0 HG23 THR A 101 6.278 -5.960 -5.753 1.00 0.41 H new ATOM 1842 N GLU A 102 1.702 -4.036 -5.139 1.00 0.31 N ATOM 1843 CA GLU A 102 0.287 -3.715 -5.282 1.00 0.33 C ATOM 1844 C GLU A 102 0.080 -2.859 -6.528 1.00 0.35 C ATOM 1845 O GLU A 102 0.503 -1.701 -6.577 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.227 -2.979 -4.036 1.00 0.39 C ATOM 1847 CG GLU A 102 -1.733 -2.741 -4.037 1.00 0.56 C ATOM 1848 CD GLU A 102 -2.222 -1.962 -2.824 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -1.540 -1.971 -1.784 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -3.308 -1.338 -2.914 1.00 0.98 O ATOM 0 H GLU A 102 2.300 -3.224 -4.986 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.278 -4.641 -5.387 1.00 0.33 H new ATOM 0 HB2 GLU A 102 0.039 -3.555 -3.150 1.00 0.39 H new ATOM 0 HB3 GLU A 102 0.283 -2.019 -3.957 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -2.007 -2.199 -4.942 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -2.245 -3.702 -4.073 1.00 0.56 H new ATOM 1857 N THR A 103 -0.556 -3.432 -7.540 1.00 0.36 N ATOM 1858 CA THR A 103 -0.762 -2.739 -8.801 1.00 0.39 C ATOM 1859 C THR A 103 -2.191 -2.214 -8.910 1.00 0.39 C ATOM 1860 O THR A 103 -3.149 -2.985 -8.887 1.00 0.42 O ATOM 1861 CB THR A 103 -0.476 -3.673 -9.992 1.00 0.43 C ATOM 1862 OG1 THR A 103 0.848 -4.210 -9.880 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.621 -2.934 -11.315 1.00 0.46 C ATOM 0 H THR A 103 -0.939 -4.377 -7.511 1.00 0.36 H new ATOM 0 HA THR A 103 -0.069 -1.898 -8.827 1.00 0.39 H new ATOM 0 HB THR A 103 -1.204 -4.484 -9.972 1.00 0.43 H new ATOM 0 HG1 THR A 103 1.025 -4.805 -10.639 1.00 0.51 H new ATOM 0 HG21 THR A 103 -0.413 -3.618 -12.138 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.637 -2.551 -11.409 1.00 0.46 H new ATOM 0 HG23 THR A 103 0.084 -2.103 -11.347 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.329 -0.901 -9.011 1.00 0.40 N ATOM 1872 CA HIS A 104 -3.634 -0.282 -9.187 1.00 0.45 C ATOM 1873 C HIS A 104 -3.859 0.045 -10.653 1.00 0.40 C ATOM 1874 O HIS A 104 -3.058 0.753 -11.257 1.00 0.48 O ATOM 1875 CB HIS A 104 -3.753 1.018 -8.382 1.00 0.70 C ATOM 1876 CG HIS A 104 -3.408 0.912 -6.934 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -2.916 1.973 -6.205 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -3.529 -0.113 -6.064 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -2.756 1.603 -4.952 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -3.120 0.344 -4.842 1.00 1.69 N ATOM 0 H HIS A 104 -1.551 -0.242 -8.974 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.381 -0.992 -8.831 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -3.106 1.767 -8.838 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -4.776 1.385 -8.468 1.00 0.70 H new ATOM 0 HD1 HIS A 104 -2.708 2.899 -6.578 1.00 1.17 H new ATOM 0 HD2 HIS A 104 -3.883 -1.108 -6.291 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -2.388 2.227 -4.151 1.00 1.60 H new ATOM 0 HE2 HIS A 104 -3.100 -0.204 -3.982 1.00 1.69 H new ATOM 1889 N ILE A 105 -4.927 -0.475 -11.235 1.00 0.45 N ATOM 1890 CA ILE A 105 -5.300 -0.091 -12.584 1.00 0.52 C ATOM 1891 C ILE A 105 -6.727 0.420 -12.630 1.00 0.54 C ATOM 1892 O ILE A 105 -7.679 -0.296 -12.301 1.00 0.55 O ATOM 1893 CB ILE A 105 -5.128 -1.242 -13.588 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -3.648 -1.582 -13.719 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -5.719 -0.868 -14.947 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -3.371 -2.679 -14.706 1.00 0.75 C ATOM 0 H ILE A 105 -5.546 -1.158 -10.798 1.00 0.45 H new ATOM 0 HA ILE A 105 -4.622 0.711 -12.876 1.00 0.52 H new ATOM 0 HB ILE A 105 -5.665 -2.117 -13.222 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -3.103 -0.687 -14.020 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -3.263 -1.877 -12.743 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -5.586 -1.697 -15.642 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -6.782 -0.655 -14.835 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -5.211 0.015 -15.334 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -2.298 -2.868 -14.748 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -3.888 -3.587 -14.395 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -3.725 -2.379 -15.692 1.00 0.75 H new ATOM 1908 N LYS A 106 -6.851 1.678 -13.003 1.00 0.59 N ATOM 1909 CA LYS A 106 -8.145 2.315 -13.173 1.00 0.63 C ATOM 1910 C LYS A 106 -8.973 1.599 -14.237 1.00 0.67 C ATOM 1911 O LYS A 106 -8.571 1.509 -15.391 1.00 0.70 O ATOM 1912 CB LYS A 106 -7.953 3.785 -13.541 1.00 0.73 C ATOM 1913 CG LYS A 106 -7.403 4.624 -12.397 1.00 0.81 C ATOM 1914 CD LYS A 106 -6.956 5.990 -12.884 1.00 1.05 C ATOM 1915 CE LYS A 106 -6.507 6.890 -11.744 1.00 1.47 C ATOM 1916 NZ LYS A 106 -7.653 7.465 -10.988 1.00 1.61 N ATOM 0 H LYS A 106 -6.058 2.289 -13.197 1.00 0.59 H new ATOM 0 HA LYS A 106 -8.689 2.252 -12.231 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -7.275 3.854 -14.392 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -8.909 4.200 -13.860 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -8.167 4.741 -11.628 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -6.562 4.107 -11.935 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -6.137 5.870 -13.594 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -7.776 6.468 -13.420 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -5.875 6.320 -11.063 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -5.896 7.700 -12.143 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -7.322 8.265 -10.412 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -8.378 7.796 -11.656 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -8.060 6.736 -10.368 1.00 1.61 H new ATOM 1930 N VAL A 107 -10.117 1.069 -13.823 1.00 0.70 N ATOM 1931 CA VAL A 107 -11.029 0.404 -14.745 1.00 0.78 C ATOM 1932 C VAL A 107 -11.604 1.396 -15.751 1.00 0.86 C ATOM 1933 O VAL A 107 -12.096 1.015 -16.813 1.00 0.92 O ATOM 1934 CB VAL A 107 -12.173 -0.318 -14.024 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -11.665 -1.561 -13.313 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -12.834 0.620 -13.053 1.00 1.11 C ATOM 0 H VAL A 107 -10.436 1.087 -12.854 1.00 0.70 H new ATOM 0 HA VAL A 107 -10.440 -0.348 -15.270 1.00 0.78 H new ATOM 0 HB VAL A 107 -12.909 -0.636 -14.763 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -12.495 -2.056 -12.809 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -11.224 -2.242 -14.041 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -10.911 -1.278 -12.578 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -13.646 0.103 -12.543 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -12.103 0.959 -12.319 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -13.233 1.480 -13.592 1.00 1.11 H new ATOM 1946 N ASP A 108 -11.537 2.676 -15.401 1.00 0.89 N ATOM 1947 CA ASP A 108 -11.974 3.741 -16.293 1.00 1.00 C ATOM 1948 C ASP A 108 -10.906 4.026 -17.341 1.00 0.97 C ATOM 1949 O ASP A 108 -11.209 4.190 -18.524 1.00 1.06 O ATOM 1950 CB ASP A 108 -12.291 5.017 -15.504 1.00 1.05 C ATOM 1951 CG ASP A 108 -13.568 4.906 -14.694 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -13.501 4.537 -13.499 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -14.652 5.196 -15.247 1.00 2.50 O ATOM 0 H ASP A 108 -11.182 3.001 -14.502 1.00 0.89 H new ATOM 0 HA ASP A 108 -12.883 3.411 -16.796 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -11.460 5.241 -14.835 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -12.377 5.855 -16.196 1.00 1.05 H new ATOM 1958 N ASP A 109 -9.653 4.066 -16.902 1.00 0.91 N ATOM 1959 CA ASP A 109 -8.526 4.317 -17.793 1.00 0.92 C ATOM 1960 C ASP A 109 -7.325 3.501 -17.352 1.00 0.84 C ATOM 1961 O ASP A 109 -6.554 3.918 -16.485 1.00 0.85 O ATOM 1962 CB ASP A 109 -8.153 5.807 -17.826 1.00 1.03 C ATOM 1963 CG ASP A 109 -9.093 6.636 -18.676 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -9.997 7.292 -18.117 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -8.925 6.651 -19.914 1.00 1.94 O ATOM 0 H ASP A 109 -9.391 3.927 -15.926 1.00 0.91 H new ATOM 0 HA ASP A 109 -8.825 4.020 -18.798 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -8.153 6.198 -16.809 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -7.138 5.913 -18.209 1.00 1.03 H new ATOM 1970 N PRO A 110 -7.155 2.321 -17.949 1.00 0.80 N ATOM 1971 CA PRO A 110 -6.076 1.399 -17.599 1.00 0.78 C ATOM 1972 C PRO A 110 -4.706 1.891 -18.052 1.00 0.86 C ATOM 1973 O PRO A 110 -3.690 1.222 -17.843 1.00 0.90 O ATOM 1974 CB PRO A 110 -6.467 0.114 -18.324 1.00 0.80 C ATOM 1975 CG PRO A 110 -7.297 0.558 -19.469 1.00 0.84 C ATOM 1976 CD PRO A 110 -8.021 1.782 -19.007 1.00 0.83 C ATOM 0 HA PRO A 110 -5.974 1.280 -16.520 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -5.586 -0.432 -18.663 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -7.024 -0.555 -17.669 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -6.677 0.777 -20.338 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -7.999 -0.221 -19.767 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -8.155 2.498 -19.818 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -9.014 1.541 -18.627 1.00 0.83 H new ATOM 1984 N THR A 111 -4.681 3.063 -18.670 1.00 0.93 N ATOM 1985 CA THR A 111 -3.436 3.713 -19.039 1.00 1.05 C ATOM 1986 C THR A 111 -2.746 4.250 -17.796 1.00 0.94 C ATOM 1987 O THR A 111 -1.524 4.395 -17.749 1.00 0.98 O ATOM 1988 CB THR A 111 -3.695 4.871 -20.013 1.00 1.30 C ATOM 1989 OG1 THR A 111 -4.715 5.734 -19.482 1.00 1.33 O ATOM 1990 CG2 THR A 111 -4.130 4.344 -21.366 1.00 1.47 C ATOM 0 H THR A 111 -5.518 3.586 -18.928 1.00 0.93 H new ATOM 0 HA THR A 111 -2.798 2.977 -19.527 1.00 1.05 H new ATOM 0 HB THR A 111 -2.769 5.432 -20.137 1.00 1.30 H new ATOM 0 HG1 THR A 111 -4.876 6.473 -20.106 1.00 1.33 H new ATOM 0 HG21 THR A 111 -4.309 5.180 -22.042 1.00 1.47 H new ATOM 0 HG22 THR A 111 -3.347 3.706 -21.777 1.00 1.47 H new ATOM 0 HG23 THR A 111 -5.047 3.766 -21.254 1.00 1.47 H new ATOM 1998 N ASP A 112 -3.550 4.526 -16.785 1.00 0.86 N ATOM 1999 CA ASP A 112 -3.062 5.087 -15.539 1.00 0.86 C ATOM 2000 C ASP A 112 -2.786 3.993 -14.516 1.00 0.79 C ATOM 2001 O ASP A 112 -3.339 4.005 -13.413 1.00 1.18 O ATOM 2002 CB ASP A 112 -4.072 6.088 -14.983 1.00 1.05 C ATOM 2003 CG ASP A 112 -4.083 7.390 -15.750 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -4.816 7.488 -16.757 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -3.358 8.324 -15.355 1.00 1.40 O ATOM 0 H ASP A 112 -4.557 4.368 -16.805 1.00 0.86 H new ATOM 0 HA ASP A 112 -2.124 5.603 -15.742 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -5.068 5.646 -15.010 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -3.841 6.289 -13.937 1.00 1.05 H new ATOM 2010 N VAL A 113 -1.941 3.043 -14.895 1.00 0.66 N ATOM 2011 CA VAL A 113 -1.489 2.008 -14.002 1.00 0.68 C ATOM 2012 C VAL A 113 -0.650 2.623 -12.878 1.00 0.60 C ATOM 2013 O VAL A 113 -0.156 3.742 -13.007 1.00 0.79 O ATOM 2014 CB VAL A 113 -0.672 0.969 -14.798 1.00 0.86 C ATOM 2015 CG1 VAL A 113 0.581 1.590 -15.380 1.00 1.60 C ATOM 2016 CG2 VAL A 113 -0.324 -0.217 -13.944 1.00 1.23 C ATOM 0 H VAL A 113 -1.554 2.977 -15.836 1.00 0.66 H new ATOM 0 HA VAL A 113 -2.345 1.507 -13.551 1.00 0.68 H new ATOM 0 HB VAL A 113 -1.295 0.623 -15.622 1.00 0.86 H new ATOM 0 HG11 VAL A 113 1.137 0.835 -15.936 1.00 1.60 H new ATOM 0 HG12 VAL A 113 0.306 2.404 -16.050 1.00 1.60 H new ATOM 0 HG13 VAL A 113 1.203 1.978 -14.574 1.00 1.60 H new ATOM 0 HG21 VAL A 113 0.252 -0.932 -14.532 1.00 1.23 H new ATOM 0 HG22 VAL A 113 0.268 0.111 -13.090 1.00 1.23 H new ATOM 0 HG23 VAL A 113 -1.239 -0.691 -13.590 1.00 1.23 H new ATOM 2026 N GLU A 114 -0.509 1.909 -11.774 1.00 0.45 N ATOM 2027 CA GLU A 114 0.200 2.417 -10.614 1.00 0.47 C ATOM 2028 C GLU A 114 0.728 1.249 -9.788 1.00 0.44 C ATOM 2029 O GLU A 114 0.033 0.250 -9.611 1.00 0.48 O ATOM 2030 CB GLU A 114 -0.761 3.279 -9.796 1.00 0.64 C ATOM 2031 CG GLU A 114 -0.208 3.814 -8.491 1.00 0.96 C ATOM 2032 CD GLU A 114 -1.188 4.760 -7.829 1.00 1.94 C ATOM 2033 OE1 GLU A 114 -2.203 4.274 -7.279 1.00 2.78 O ATOM 2034 OE2 GLU A 114 -0.916 5.985 -7.817 1.00 2.10 O ATOM 0 H GLU A 114 -0.881 0.966 -11.658 1.00 0.45 H new ATOM 0 HA GLU A 114 1.051 3.026 -10.920 1.00 0.47 H new ATOM 0 HB2 GLU A 114 -1.077 4.123 -10.410 1.00 0.64 H new ATOM 0 HB3 GLU A 114 -1.653 2.692 -9.579 1.00 0.64 H new ATOM 0 HG2 GLU A 114 0.012 2.985 -7.819 1.00 0.96 H new ATOM 0 HG3 GLU A 114 0.733 4.332 -8.677 1.00 0.96 H new ATOM 2041 N THR A 115 1.957 1.352 -9.307 1.00 0.45 N ATOM 2042 CA THR A 115 2.559 0.255 -8.570 1.00 0.45 C ATOM 2043 C THR A 115 3.170 0.716 -7.252 1.00 0.44 C ATOM 2044 O THR A 115 4.041 1.587 -7.220 1.00 0.51 O ATOM 2045 CB THR A 115 3.644 -0.458 -9.401 1.00 0.49 C ATOM 2046 OG1 THR A 115 3.099 -0.869 -10.664 1.00 0.53 O ATOM 2047 CG2 THR A 115 4.186 -1.675 -8.656 1.00 0.53 C ATOM 0 H THR A 115 2.551 2.175 -9.412 1.00 0.45 H new ATOM 0 HA THR A 115 1.750 -0.443 -8.357 1.00 0.45 H new ATOM 0 HB THR A 115 4.464 0.241 -9.567 1.00 0.49 H new ATOM 0 HG1 THR A 115 3.793 -1.320 -11.189 1.00 0.53 H new ATOM 0 HG21 THR A 115 4.950 -2.162 -9.262 1.00 0.53 H new ATOM 0 HG22 THR A 115 4.622 -1.357 -7.709 1.00 0.53 H new ATOM 0 HG23 THR A 115 3.374 -2.376 -8.465 1.00 0.53 H new ATOM 2055 N TYR A 116 2.685 0.124 -6.174 1.00 0.41 N ATOM 2056 CA TYR A 116 3.312 0.253 -4.871 1.00 0.43 C ATOM 2057 C TYR A 116 4.085 -1.032 -4.629 1.00 0.38 C ATOM 2058 O TYR A 116 3.725 -2.065 -5.199 1.00 0.39 O ATOM 2059 CB TYR A 116 2.273 0.409 -3.751 1.00 0.54 C ATOM 2060 CG TYR A 116 1.323 1.586 -3.869 1.00 0.57 C ATOM 2061 CD1 TYR A 116 1.375 2.480 -4.931 1.00 0.79 C ATOM 2062 CD2 TYR A 116 0.365 1.794 -2.887 1.00 0.80 C ATOM 2063 CE1 TYR A 116 0.499 3.546 -5.006 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -0.512 2.854 -2.954 1.00 0.91 C ATOM 2065 CZ TYR A 116 -0.442 3.729 -4.012 1.00 0.80 C ATOM 2066 OH TYR A 116 -1.317 4.785 -4.075 1.00 0.96 O ATOM 0 H TYR A 116 1.847 -0.458 -6.178 1.00 0.41 H new ATOM 0 HA TYR A 116 3.949 1.138 -4.862 1.00 0.43 H new ATOM 0 HB2 TYR A 116 1.680 -0.505 -3.706 1.00 0.54 H new ATOM 0 HB3 TYR A 116 2.804 0.492 -2.802 1.00 0.54 H new ATOM 0 HD1 TYR A 116 2.111 2.340 -5.709 1.00 0.79 H new ATOM 0 HD2 TYR A 116 0.306 1.111 -2.053 1.00 0.80 H new ATOM 0 HE1 TYR A 116 0.550 4.233 -5.838 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -1.251 2.997 -2.179 1.00 0.91 H new ATOM 0 HH TYR A 116 -1.912 4.764 -3.296 1.00 0.96 H new ATOM 2076 N GLU A 117 5.120 -1.020 -3.805 1.00 0.37 N ATOM 2077 CA GLU A 117 5.813 -2.254 -3.477 1.00 0.35 C ATOM 2078 C GLU A 117 6.167 -2.247 -1.992 1.00 0.34 C ATOM 2079 O GLU A 117 6.819 -1.325 -1.506 1.00 0.44 O ATOM 2080 CB GLU A 117 7.063 -2.439 -4.354 1.00 0.44 C ATOM 2081 CG GLU A 117 8.081 -1.317 -4.241 1.00 0.92 C ATOM 2082 CD GLU A 117 9.226 -1.474 -5.220 1.00 0.83 C ATOM 2083 OE1 GLU A 117 10.152 -2.263 -4.934 1.00 1.27 O ATOM 2084 OE2 GLU A 117 9.215 -0.806 -6.276 1.00 1.18 O ATOM 0 H GLU A 117 5.494 -0.183 -3.357 1.00 0.37 H new ATOM 0 HA GLU A 117 5.158 -3.101 -3.681 1.00 0.35 H new ATOM 0 HB2 GLU A 117 7.545 -3.379 -4.085 1.00 0.44 H new ATOM 0 HB3 GLU A 117 6.752 -2.527 -5.395 1.00 0.44 H new ATOM 0 HG2 GLU A 117 7.586 -0.362 -4.416 1.00 0.92 H new ATOM 0 HG3 GLU A 117 8.476 -1.290 -3.226 1.00 0.92 H new ATOM 2091 N TYR A 118 5.704 -3.259 -1.273 1.00 0.29 N ATOM 2092 CA TYR A 118 5.840 -3.302 0.176 1.00 0.29 C ATOM 2093 C TYR A 118 7.031 -4.153 0.596 1.00 0.31 C ATOM 2094 O TYR A 118 7.035 -5.370 0.431 1.00 0.41 O ATOM 2095 CB TYR A 118 4.560 -3.838 0.820 1.00 0.32 C ATOM 2096 CG TYR A 118 3.347 -2.973 0.563 1.00 0.35 C ATOM 2097 CD1 TYR A 118 3.128 -1.824 1.306 1.00 0.50 C ATOM 2098 CD2 TYR A 118 2.420 -3.301 -0.418 1.00 0.47 C ATOM 2099 CE1 TYR A 118 2.027 -1.028 1.080 1.00 0.58 C ATOM 2100 CE2 TYR A 118 1.322 -2.512 -0.644 1.00 0.52 C ATOM 2101 CZ TYR A 118 1.130 -1.382 0.104 1.00 0.50 C ATOM 2102 OH TYR A 118 0.036 -0.607 -0.143 1.00 0.60 O ATOM 0 H TYR A 118 5.227 -4.067 -1.673 1.00 0.29 H new ATOM 0 HA TYR A 118 6.012 -2.283 0.522 1.00 0.29 H new ATOM 0 HB2 TYR A 118 4.366 -4.842 0.443 1.00 0.32 H new ATOM 0 HB3 TYR A 118 4.713 -3.925 1.896 1.00 0.32 H new ATOM 0 HD1 TYR A 118 3.833 -1.548 2.076 1.00 0.50 H new ATOM 0 HD2 TYR A 118 2.566 -4.191 -1.012 1.00 0.47 H new ATOM 0 HE1 TYR A 118 1.871 -0.134 1.665 1.00 0.58 H new ATOM 0 HE2 TYR A 118 0.610 -2.781 -1.410 1.00 0.52 H new ATOM 0 HH TYR A 118 -0.438 -0.952 -0.928 1.00 0.60 H new ATOM 2112 N ARG A 119 8.028 -3.487 1.135 1.00 0.31 N ATOM 2113 CA ARG A 119 9.235 -4.127 1.621 1.00 0.35 C ATOM 2114 C ARG A 119 9.330 -3.967 3.135 1.00 0.35 C ATOM 2115 O ARG A 119 8.921 -2.948 3.681 1.00 0.42 O ATOM 2116 CB ARG A 119 10.450 -3.505 0.920 1.00 0.46 C ATOM 2117 CG ARG A 119 11.784 -3.821 1.574 1.00 1.14 C ATOM 2118 CD ARG A 119 12.942 -3.505 0.645 1.00 1.30 C ATOM 2119 NE ARG A 119 12.852 -4.254 -0.610 1.00 1.83 N ATOM 2120 CZ ARG A 119 13.893 -4.542 -1.386 1.00 2.50 C ATOM 2121 NH1 ARG A 119 15.115 -4.173 -1.030 1.00 2.76 N ATOM 2122 NH2 ARG A 119 13.709 -5.213 -2.516 1.00 3.41 N ATOM 0 H ARG A 119 8.025 -2.474 1.251 1.00 0.31 H new ATOM 0 HA ARG A 119 9.211 -5.193 1.396 1.00 0.35 H new ATOM 0 HB2 ARG A 119 10.475 -3.852 -0.113 1.00 0.46 H new ATOM 0 HB3 ARG A 119 10.322 -2.423 0.890 1.00 0.46 H new ATOM 0 HG2 ARG A 119 11.886 -3.246 2.494 1.00 1.14 H new ATOM 0 HG3 ARG A 119 11.815 -4.875 1.852 1.00 1.14 H new ATOM 0 HD2 ARG A 119 12.955 -2.436 0.430 1.00 1.30 H new ATOM 0 HD3 ARG A 119 13.882 -3.741 1.143 1.00 1.30 H new ATOM 0 HE ARG A 119 11.931 -4.576 -0.908 1.00 1.83 H new ATOM 0 HH11 ARG A 119 15.261 -3.666 -0.157 1.00 2.76 H new ATOM 0 HH12 ARG A 119 15.910 -4.396 -1.629 1.00 2.76 H new ATOM 0 HH21 ARG A 119 12.771 -5.507 -2.788 1.00 3.41 H new ATOM 0 HH22 ARG A 119 14.506 -5.435 -3.113 1.00 3.41 H new ATOM 2136 N ARG A 120 9.852 -4.968 3.819 1.00 0.36 N ATOM 2137 CA ARG A 120 9.981 -4.884 5.263 1.00 0.41 C ATOM 2138 C ARG A 120 11.419 -4.564 5.642 1.00 0.46 C ATOM 2139 O ARG A 120 12.284 -5.441 5.629 1.00 0.63 O ATOM 2140 CB ARG A 120 9.542 -6.189 5.933 1.00 0.49 C ATOM 2141 CG ARG A 120 9.573 -6.126 7.453 1.00 1.06 C ATOM 2142 CD ARG A 120 8.505 -5.191 8.001 1.00 0.97 C ATOM 2143 NE ARG A 120 8.638 -5.004 9.448 1.00 1.27 N ATOM 2144 CZ ARG A 120 7.624 -5.084 10.313 1.00 1.56 C ATOM 2145 NH1 ARG A 120 6.413 -5.439 9.899 1.00 1.62 N ATOM 2146 NH2 ARG A 120 7.829 -4.842 11.601 1.00 1.96 N ATOM 0 H ARG A 120 10.190 -5.837 3.406 1.00 0.36 H new ATOM 0 HA ARG A 120 9.330 -4.084 5.615 1.00 0.41 H new ATOM 0 HB2 ARG A 120 8.531 -6.434 5.607 1.00 0.49 H new ATOM 0 HB3 ARG A 120 10.191 -6.998 5.597 1.00 0.49 H new ATOM 0 HG2 ARG A 120 9.425 -7.126 7.861 1.00 1.06 H new ATOM 0 HG3 ARG A 120 10.556 -5.789 7.783 1.00 1.06 H new ATOM 0 HD2 ARG A 120 8.576 -4.225 7.501 1.00 0.97 H new ATOM 0 HD3 ARG A 120 7.518 -5.594 7.776 1.00 0.97 H new ATOM 0 HE ARG A 120 9.566 -4.799 9.819 1.00 1.27 H new ATOM 0 HH11 ARG A 120 6.253 -5.653 8.915 1.00 1.62 H new ATOM 0 HH12 ARG A 120 5.643 -5.498 10.565 1.00 1.62 H new ATOM 0 HH21 ARG A 120 8.762 -4.595 11.931 1.00 1.96 H new ATOM 0 HH22 ARG A 120 7.054 -4.903 12.261 1.00 1.96 H new ATOM 2160 N ASP A 121 11.674 -3.309 5.970 1.00 0.49 N ATOM 2161 CA ASP A 121 13.008 -2.893 6.365 1.00 0.59 C ATOM 2162 C ASP A 121 13.103 -2.856 7.880 1.00 0.66 C ATOM 2163 O ASP A 121 12.935 -1.808 8.509 1.00 1.08 O ATOM 2164 CB ASP A 121 13.367 -1.533 5.762 1.00 0.67 C ATOM 2165 CG ASP A 121 14.841 -1.207 5.909 1.00 0.82 C ATOM 2166 OD1 ASP A 121 15.656 -1.740 5.128 1.00 0.96 O ATOM 2167 OD2 ASP A 121 15.191 -0.409 6.804 1.00 0.88 O ATOM 0 H ASP A 121 10.978 -2.563 5.971 1.00 0.49 H new ATOM 0 HA ASP A 121 13.727 -3.617 5.982 1.00 0.59 H new ATOM 0 HB2 ASP A 121 13.099 -1.525 4.705 1.00 0.67 H new ATOM 0 HB3 ASP A 121 12.776 -0.756 6.247 1.00 0.67 H new ATOM 2172 N GLY A 122 13.335 -4.024 8.457 1.00 0.73 N ATOM 2173 CA GLY A 122 13.455 -4.137 9.892 1.00 0.83 C ATOM 2174 C GLY A 122 12.129 -3.952 10.598 1.00 0.78 C ATOM 2175 O GLY A 122 11.213 -4.766 10.451 1.00 0.92 O ATOM 0 H GLY A 122 13.443 -4.903 7.950 1.00 0.73 H new ATOM 0 HA2 GLY A 122 13.864 -5.115 10.144 1.00 0.83 H new ATOM 0 HA3 GLY A 122 14.164 -3.392 10.254 1.00 0.83 H new ATOM 2179 N ASP A 123 12.017 -2.867 11.342 1.00 0.70 N ATOM 2180 CA ASP A 123 10.827 -2.599 12.136 1.00 0.78 C ATOM 2181 C ASP A 123 9.822 -1.772 11.339 1.00 0.64 C ATOM 2182 O ASP A 123 8.665 -1.620 11.736 1.00 0.75 O ATOM 2183 CB ASP A 123 11.222 -1.871 13.427 1.00 0.98 C ATOM 2184 CG ASP A 123 10.042 -1.555 14.324 1.00 1.67 C ATOM 2185 OD1 ASP A 123 9.453 -2.496 14.900 1.00 2.17 O ATOM 2186 OD2 ASP A 123 9.713 -0.358 14.479 1.00 2.31 O ATOM 0 H ASP A 123 12.740 -2.151 11.415 1.00 0.70 H new ATOM 0 HA ASP A 123 10.353 -3.546 12.393 1.00 0.78 H new ATOM 0 HB2 ASP A 123 11.934 -2.485 13.978 1.00 0.98 H new ATOM 0 HB3 ASP A 123 11.733 -0.943 13.170 1.00 0.98 H new ATOM 2191 N TYR A 124 10.255 -1.270 10.194 1.00 0.48 N ATOM 2192 CA TYR A 124 9.425 -0.386 9.400 1.00 0.36 C ATOM 2193 C TYR A 124 8.921 -1.073 8.146 1.00 0.33 C ATOM 2194 O TYR A 124 9.670 -1.771 7.456 1.00 0.39 O ATOM 2195 CB TYR A 124 10.200 0.878 9.021 1.00 0.32 C ATOM 2196 CG TYR A 124 10.432 1.809 10.187 1.00 0.37 C ATOM 2197 CD1 TYR A 124 11.439 1.555 11.109 1.00 0.46 C ATOM 2198 CD2 TYR A 124 9.660 2.949 10.354 1.00 0.49 C ATOM 2199 CE1 TYR A 124 11.666 2.413 12.167 1.00 0.53 C ATOM 2200 CE2 TYR A 124 9.879 3.809 11.409 1.00 0.58 C ATOM 2201 CZ TYR A 124 10.836 3.509 12.345 1.00 0.56 C ATOM 2202 OH TYR A 124 11.113 4.398 13.363 1.00 0.67 O ATOM 0 H TYR A 124 11.175 -1.460 9.796 1.00 0.48 H new ATOM 0 HA TYR A 124 8.563 -0.112 10.008 1.00 0.36 H new ATOM 0 HB2 TYR A 124 11.162 0.592 8.596 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.654 1.411 8.243 1.00 0.32 H new ATOM 0 HD1 TYR A 124 12.053 0.674 10.997 1.00 0.46 H new ATOM 0 HD2 TYR A 124 8.874 3.167 9.646 1.00 0.49 H new ATOM 0 HE1 TYR A 124 12.483 2.232 12.850 1.00 0.53 H new ATOM 0 HE2 TYR A 124 9.299 4.716 11.498 1.00 0.58 H new ATOM 0 HH TYR A 124 10.445 5.115 13.362 1.00 0.67 H new ATOM 2212 N LEU A 125 7.644 -0.886 7.865 1.00 0.30 N ATOM 2213 CA LEU A 125 7.067 -1.302 6.609 1.00 0.30 C ATOM 2214 C LEU A 125 7.369 -0.207 5.595 1.00 0.27 C ATOM 2215 O LEU A 125 6.879 0.917 5.711 1.00 0.31 O ATOM 2216 CB LEU A 125 5.552 -1.533 6.792 1.00 0.36 C ATOM 2217 CG LEU A 125 4.755 -2.087 5.590 1.00 0.44 C ATOM 2218 CD1 LEU A 125 4.373 -0.982 4.617 1.00 1.03 C ATOM 2219 CD2 LEU A 125 5.532 -3.180 4.870 1.00 0.88 C ATOM 0 H LEU A 125 6.983 -0.442 8.502 1.00 0.30 H new ATOM 0 HA LEU A 125 7.488 -2.243 6.255 1.00 0.30 H new ATOM 0 HB2 LEU A 125 5.417 -2.219 7.628 1.00 0.36 H new ATOM 0 HB3 LEU A 125 5.102 -0.584 7.083 1.00 0.36 H new ATOM 0 HG LEU A 125 3.837 -2.521 5.986 1.00 0.44 H new ATOM 0 HD11 LEU A 125 3.814 -1.408 3.784 1.00 1.03 H new ATOM 0 HD12 LEU A 125 3.756 -0.244 5.129 1.00 1.03 H new ATOM 0 HD13 LEU A 125 5.276 -0.501 4.240 1.00 1.03 H new ATOM 0 HD21 LEU A 125 4.945 -3.550 4.029 1.00 0.88 H new ATOM 0 HD22 LEU A 125 6.475 -2.775 4.504 1.00 0.88 H new ATOM 0 HD23 LEU A 125 5.733 -3.999 5.561 1.00 0.88 H new ATOM 2231 N VAL A 126 8.183 -0.533 4.618 1.00 0.29 N ATOM 2232 CA VAL A 126 8.706 0.464 3.708 1.00 0.34 C ATOM 2233 C VAL A 126 8.232 0.158 2.308 1.00 0.36 C ATOM 2234 O VAL A 126 8.373 -0.957 1.826 1.00 0.43 O ATOM 2235 CB VAL A 126 10.249 0.518 3.736 1.00 0.41 C ATOM 2236 CG1 VAL A 126 10.775 1.489 2.688 1.00 0.46 C ATOM 2237 CG2 VAL A 126 10.745 0.909 5.121 1.00 0.47 C ATOM 0 H VAL A 126 8.499 -1.484 4.431 1.00 0.29 H new ATOM 0 HA VAL A 126 8.337 1.439 4.028 1.00 0.34 H new ATOM 0 HB VAL A 126 10.628 -0.476 3.501 1.00 0.41 H new ATOM 0 HG11 VAL A 126 11.864 1.511 2.726 1.00 0.46 H new ATOM 0 HG12 VAL A 126 10.453 1.166 1.698 1.00 0.46 H new ATOM 0 HG13 VAL A 126 10.385 2.487 2.888 1.00 0.46 H new ATOM 0 HG21 VAL A 126 11.835 0.942 5.121 1.00 0.47 H new ATOM 0 HG22 VAL A 126 10.352 1.891 5.384 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.404 0.174 5.850 1.00 0.47 H new ATOM 2247 N MET A 127 7.676 1.142 1.655 1.00 0.38 N ATOM 2248 CA MET A 127 7.107 0.919 0.349 1.00 0.46 C ATOM 2249 C MET A 127 7.632 1.930 -0.637 1.00 0.33 C ATOM 2250 O MET A 127 7.953 3.058 -0.275 1.00 0.33 O ATOM 2251 CB MET A 127 5.587 0.963 0.407 1.00 0.65 C ATOM 2252 CG MET A 127 5.045 2.287 0.893 1.00 0.87 C ATOM 2253 SD MET A 127 3.273 2.239 1.186 1.00 1.08 S ATOM 2254 CE MET A 127 2.669 2.023 -0.480 1.00 0.66 C ATOM 0 H MET A 127 7.604 2.099 2.000 1.00 0.38 H new ATOM 0 HA MET A 127 7.404 -0.074 0.013 1.00 0.46 H new ATOM 0 HB2 MET A 127 5.186 0.757 -0.586 1.00 0.65 H new ATOM 0 HB3 MET A 127 5.232 0.170 1.065 1.00 0.65 H new ATOM 0 HG2 MET A 127 5.555 2.569 1.814 1.00 0.87 H new ATOM 0 HG3 MET A 127 5.268 3.059 0.157 1.00 0.87 H new ATOM 0 HE1 MET A 127 1.702 2.516 -0.583 1.00 0.66 H new ATOM 0 HE2 MET A 127 3.377 2.462 -1.183 1.00 0.66 H new ATOM 0 HE3 MET A 127 2.559 0.960 -0.692 1.00 0.66 H new ATOM 2264 N LYS A 128 7.704 1.520 -1.879 1.00 0.33 N ATOM 2265 CA LYS A 128 8.205 2.373 -2.927 1.00 0.35 C ATOM 2266 C LYS A 128 7.150 2.511 -4.005 1.00 0.35 C ATOM 2267 O LYS A 128 6.511 1.532 -4.404 1.00 0.44 O ATOM 2268 CB LYS A 128 9.511 1.829 -3.516 1.00 0.55 C ATOM 2269 CG LYS A 128 10.070 2.688 -4.643 1.00 0.82 C ATOM 2270 CD LYS A 128 11.348 2.105 -5.226 1.00 0.99 C ATOM 2271 CE LYS A 128 12.513 2.203 -4.251 1.00 1.42 C ATOM 2272 NZ LYS A 128 13.758 1.611 -4.811 1.00 2.20 N ATOM 0 H LYS A 128 7.419 0.592 -2.190 1.00 0.33 H new ATOM 0 HA LYS A 128 8.425 3.353 -2.504 1.00 0.35 H new ATOM 0 HB2 LYS A 128 10.255 1.754 -2.723 1.00 0.55 H new ATOM 0 HB3 LYS A 128 9.340 0.819 -3.889 1.00 0.55 H new ATOM 0 HG2 LYS A 128 9.323 2.783 -5.431 1.00 0.82 H new ATOM 0 HG3 LYS A 128 10.268 3.692 -4.269 1.00 0.82 H new ATOM 0 HD2 LYS A 128 11.183 1.061 -5.491 1.00 0.99 H new ATOM 0 HD3 LYS A 128 11.600 2.631 -6.147 1.00 0.99 H new ATOM 0 HE2 LYS A 128 12.689 3.249 -4.001 1.00 1.42 H new ATOM 0 HE3 LYS A 128 12.254 1.692 -3.323 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 14.527 1.698 -4.116 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 13.598 0.606 -5.027 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 14.020 2.114 -5.682 1.00 2.20 H new ATOM 2286 N MET A 129 6.943 3.736 -4.431 1.00 0.36 N ATOM 2287 CA MET A 129 5.997 4.049 -5.479 1.00 0.41 C ATOM 2288 C MET A 129 6.735 4.840 -6.544 1.00 0.35 C ATOM 2289 O MET A 129 7.314 5.880 -6.245 1.00 0.40 O ATOM 2290 CB MET A 129 4.847 4.873 -4.891 1.00 0.49 C ATOM 2291 CG MET A 129 4.259 4.264 -3.625 1.00 1.02 C ATOM 2292 SD MET A 129 3.466 5.482 -2.560 1.00 1.11 S ATOM 2293 CE MET A 129 2.113 6.019 -3.601 1.00 0.50 C ATOM 0 H MET A 129 7.430 4.550 -4.057 1.00 0.36 H new ATOM 0 HA MET A 129 5.578 3.143 -5.917 1.00 0.41 H new ATOM 0 HB2 MET A 129 5.205 5.879 -4.670 1.00 0.49 H new ATOM 0 HB3 MET A 129 4.060 4.972 -5.639 1.00 0.49 H new ATOM 0 HG2 MET A 129 3.531 3.501 -3.900 1.00 1.02 H new ATOM 0 HG3 MET A 129 5.051 3.763 -3.068 1.00 1.02 H new ATOM 0 HE1 MET A 129 2.129 7.105 -3.687 1.00 0.50 H new ATOM 0 HE2 MET A 129 2.217 5.575 -4.591 1.00 0.50 H new ATOM 0 HE3 MET A 129 1.167 5.704 -3.160 1.00 0.50 H new ATOM 2303 N SER A 130 6.758 4.350 -7.771 1.00 0.34 N ATOM 2304 CA SER A 130 7.566 4.989 -8.794 1.00 0.33 C ATOM 2305 C SER A 130 6.764 5.272 -10.051 1.00 0.33 C ATOM 2306 O SER A 130 5.974 4.441 -10.506 1.00 0.38 O ATOM 2307 CB SER A 130 8.764 4.114 -9.147 1.00 0.39 C ATOM 2308 OG SER A 130 9.340 3.539 -7.985 1.00 1.06 O ATOM 0 H SER A 130 6.238 3.529 -8.079 1.00 0.34 H new ATOM 0 HA SER A 130 7.910 5.940 -8.386 1.00 0.33 H new ATOM 0 HB2 SER A 130 8.452 3.324 -9.830 1.00 0.39 H new ATOM 0 HB3 SER A 130 9.512 4.710 -9.670 1.00 0.39 H new ATOM 0 HG SER A 130 10.105 2.982 -8.240 1.00 1.06 H new ATOM 2314 N TRP A 131 6.979 6.453 -10.601 1.00 0.32 N ATOM 2315 CA TRP A 131 6.368 6.843 -11.856 1.00 0.34 C ATOM 2316 C TRP A 131 7.280 7.801 -12.595 1.00 0.34 C ATOM 2317 O TRP A 131 7.804 8.742 -12.002 1.00 0.33 O ATOM 2318 CB TRP A 131 5.004 7.487 -11.619 1.00 0.36 C ATOM 2319 CG TRP A 131 4.155 7.513 -12.847 1.00 0.39 C ATOM 2320 CD1 TRP A 131 3.866 8.589 -13.628 1.00 0.46 C ATOM 2321 CD2 TRP A 131 3.500 6.397 -13.442 1.00 0.47 C ATOM 2322 NE1 TRP A 131 3.057 8.212 -14.670 1.00 0.52 N ATOM 2323 CE2 TRP A 131 2.822 6.866 -14.580 1.00 0.54 C ATOM 2324 CE3 TRP A 131 3.422 5.044 -13.119 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 2.074 6.027 -15.397 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 2.682 4.212 -13.927 1.00 0.73 C ATOM 2327 CH2 TRP A 131 2.016 4.705 -15.058 1.00 0.76 C ATOM 0 H TRP A 131 7.581 7.167 -10.190 1.00 0.32 H new ATOM 0 HA TRP A 131 6.220 5.950 -12.463 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.481 6.942 -10.833 1.00 0.36 H new ATOM 0 HB3 TRP A 131 5.146 8.506 -11.259 1.00 0.36 H new ATOM 0 HD1 TRP A 131 4.222 9.594 -13.453 1.00 0.46 H new ATOM 0 HE1 TRP A 131 2.691 8.832 -15.392 1.00 0.52 H new ATOM 0 HE3 TRP A 131 3.933 4.656 -12.250 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 1.558 6.406 -16.267 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 2.613 3.161 -13.686 1.00 0.73 H new ATOM 0 HH2 TRP A 131 1.445 4.026 -15.674 1.00 0.76 H new ATOM 2338 N LYS A 132 7.471 7.549 -13.884 1.00 0.37 N ATOM 2339 CA LYS A 132 8.381 8.331 -14.712 1.00 0.40 C ATOM 2340 C LYS A 132 9.788 8.347 -14.120 1.00 0.39 C ATOM 2341 O LYS A 132 10.521 9.330 -14.248 1.00 0.42 O ATOM 2342 CB LYS A 132 7.867 9.762 -14.887 1.00 0.44 C ATOM 2343 CG LYS A 132 6.547 9.853 -15.634 1.00 0.68 C ATOM 2344 CD LYS A 132 6.069 11.290 -15.734 1.00 1.22 C ATOM 2345 CE LYS A 132 4.804 11.404 -16.570 1.00 1.43 C ATOM 2346 NZ LYS A 132 5.013 10.930 -17.964 1.00 1.96 N ATOM 0 H LYS A 132 6.999 6.796 -14.385 1.00 0.37 H new ATOM 0 HA LYS A 132 8.426 7.855 -15.691 1.00 0.40 H new ATOM 0 HB2 LYS A 132 7.750 10.219 -13.904 1.00 0.44 H new ATOM 0 HB3 LYS A 132 8.617 10.345 -15.422 1.00 0.44 H new ATOM 0 HG2 LYS A 132 6.663 9.435 -16.634 1.00 0.68 H new ATOM 0 HG3 LYS A 132 5.795 9.252 -15.123 1.00 0.68 H new ATOM 0 HD2 LYS A 132 5.881 11.682 -14.734 1.00 1.22 H new ATOM 0 HD3 LYS A 132 6.854 11.905 -16.175 1.00 1.22 H new ATOM 0 HE2 LYS A 132 4.008 10.822 -16.105 1.00 1.43 H new ATOM 0 HE3 LYS A 132 4.472 12.442 -16.586 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 4.234 11.267 -18.566 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 5.915 11.301 -18.325 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 5.036 9.890 -17.977 1.00 1.96 H new ATOM 2360 N GLY A 133 10.158 7.247 -13.478 1.00 0.40 N ATOM 2361 CA GLY A 133 11.443 7.169 -12.811 1.00 0.42 C ATOM 2362 C GLY A 133 11.417 7.794 -11.428 1.00 0.40 C ATOM 2363 O GLY A 133 12.174 7.390 -10.543 1.00 0.53 O ATOM 0 H GLY A 133 9.588 6.404 -13.407 1.00 0.40 H new ATOM 0 HA2 GLY A 133 11.744 6.125 -12.729 1.00 0.42 H new ATOM 0 HA3 GLY A 133 12.196 7.671 -13.419 1.00 0.42 H new ATOM 2367 N VAL A 134 10.538 8.772 -11.243 1.00 0.35 N ATOM 2368 CA VAL A 134 10.415 9.465 -9.970 1.00 0.34 C ATOM 2369 C VAL A 134 9.824 8.528 -8.927 1.00 0.36 C ATOM 2370 O VAL A 134 8.639 8.194 -8.971 1.00 0.40 O ATOM 2371 CB VAL A 134 9.526 10.721 -10.086 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.586 11.541 -8.806 1.00 0.38 C ATOM 2373 CG2 VAL A 134 9.932 11.563 -11.286 1.00 0.43 C ATOM 0 H VAL A 134 9.897 9.103 -11.964 1.00 0.35 H new ATOM 0 HA VAL A 134 11.414 9.781 -9.669 1.00 0.34 H new ATOM 0 HB VAL A 134 8.496 10.396 -10.235 1.00 0.38 H new ATOM 0 HG11 VAL A 134 8.953 12.422 -8.908 1.00 0.38 H new ATOM 0 HG12 VAL A 134 9.235 10.937 -7.970 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.614 11.853 -8.621 1.00 0.38 H new ATOM 0 HG21 VAL A 134 9.291 12.443 -11.347 1.00 0.43 H new ATOM 0 HG22 VAL A 134 10.970 11.877 -11.176 1.00 0.43 H new ATOM 0 HG23 VAL A 134 9.826 10.973 -12.197 1.00 0.43 H new ATOM 2383 N SER A 135 10.665 8.083 -8.013 1.00 0.38 N ATOM 2384 CA SER A 135 10.265 7.130 -7.016 1.00 0.42 C ATOM 2385 C SER A 135 10.110 7.796 -5.657 1.00 0.40 C ATOM 2386 O SER A 135 10.740 8.814 -5.373 1.00 0.51 O ATOM 2387 CB SER A 135 11.322 6.048 -6.935 1.00 0.50 C ATOM 2388 OG SER A 135 11.814 5.729 -8.227 1.00 1.14 O ATOM 0 H SER A 135 11.640 8.376 -7.947 1.00 0.38 H new ATOM 0 HA SER A 135 9.301 6.703 -7.294 1.00 0.42 H new ATOM 0 HB2 SER A 135 12.143 6.382 -6.300 1.00 0.50 H new ATOM 0 HB3 SER A 135 10.902 5.156 -6.470 1.00 0.50 H new ATOM 0 HG SER A 135 12.497 5.030 -8.154 1.00 1.14 H new ATOM 2394 N THR A 136 9.262 7.217 -4.838 1.00 0.35 N ATOM 2395 CA THR A 136 9.087 7.661 -3.471 1.00 0.34 C ATOM 2396 C THR A 136 9.043 6.463 -2.535 1.00 0.31 C ATOM 2397 O THR A 136 8.445 5.435 -2.857 1.00 0.34 O ATOM 2398 CB THR A 136 7.799 8.501 -3.302 1.00 0.38 C ATOM 2399 OG1 THR A 136 7.663 8.924 -1.941 1.00 0.40 O ATOM 2400 CG2 THR A 136 6.563 7.717 -3.708 1.00 0.39 C ATOM 0 H THR A 136 8.674 6.426 -5.099 1.00 0.35 H new ATOM 0 HA THR A 136 9.938 8.294 -3.219 1.00 0.34 H new ATOM 0 HB THR A 136 7.886 9.370 -3.955 1.00 0.38 H new ATOM 0 HG1 THR A 136 8.550 8.994 -1.530 1.00 0.40 H new ATOM 0 HG21 THR A 136 5.678 8.339 -3.576 1.00 0.39 H new ATOM 0 HG22 THR A 136 6.646 7.422 -4.754 1.00 0.39 H new ATOM 0 HG23 THR A 136 6.477 6.826 -3.086 1.00 0.39 H new ATOM 2408 N SER A 137 9.705 6.579 -1.396 1.00 0.33 N ATOM 2409 CA SER A 137 9.634 5.547 -0.381 1.00 0.32 C ATOM 2410 C SER A 137 8.849 6.055 0.819 1.00 0.31 C ATOM 2411 O SER A 137 9.317 6.903 1.578 1.00 0.40 O ATOM 2412 CB SER A 137 11.033 5.093 0.034 1.00 0.39 C ATOM 2413 OG SER A 137 11.808 4.765 -1.107 1.00 0.79 O ATOM 0 H SER A 137 10.295 7.375 -1.154 1.00 0.33 H new ATOM 0 HA SER A 137 9.116 4.682 -0.797 1.00 0.32 H new ATOM 0 HB2 SER A 137 11.525 5.884 0.600 1.00 0.39 H new ATOM 0 HB3 SER A 137 10.960 4.227 0.693 1.00 0.39 H new ATOM 0 HG SER A 137 12.535 5.415 -1.206 1.00 0.79 H new ATOM 2419 N ARG A 138 7.641 5.549 0.958 1.00 0.35 N ATOM 2420 CA ARG A 138 6.765 5.925 2.048 1.00 0.44 C ATOM 2421 C ARG A 138 7.123 5.092 3.280 1.00 0.39 C ATOM 2422 O ARG A 138 7.159 3.860 3.212 1.00 0.43 O ATOM 2423 CB ARG A 138 5.314 5.684 1.624 1.00 0.63 C ATOM 2424 CG ARG A 138 4.271 6.397 2.467 1.00 1.08 C ATOM 2425 CD ARG A 138 4.050 7.833 2.028 1.00 0.88 C ATOM 2426 NE ARG A 138 2.738 8.318 2.455 1.00 0.82 N ATOM 2427 CZ ARG A 138 2.458 9.590 2.739 1.00 1.07 C ATOM 2428 NH1 ARG A 138 3.401 10.521 2.652 1.00 1.84 N ATOM 2429 NH2 ARG A 138 1.229 9.932 3.108 1.00 1.63 N ATOM 0 H ARG A 138 7.239 4.865 0.318 1.00 0.35 H new ATOM 0 HA ARG A 138 6.884 6.980 2.294 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.198 5.998 0.587 1.00 0.63 H new ATOM 0 HB3 ARG A 138 5.115 4.613 1.657 1.00 0.63 H new ATOM 0 HG2 ARG A 138 3.328 5.854 2.408 1.00 1.08 H new ATOM 0 HG3 ARG A 138 4.582 6.384 3.512 1.00 1.08 H new ATOM 0 HD2 ARG A 138 4.830 8.469 2.447 1.00 0.88 H new ATOM 0 HD3 ARG A 138 4.131 7.902 0.943 1.00 0.88 H new ATOM 0 HE ARG A 138 1.985 7.636 2.542 1.00 0.82 H new ATOM 0 HH11 ARG A 138 4.346 10.265 2.366 1.00 1.84 H new ATOM 0 HH12 ARG A 138 3.180 11.493 2.871 1.00 1.84 H new ATOM 0 HH21 ARG A 138 0.500 9.222 3.174 1.00 1.63 H new ATOM 0 HH22 ARG A 138 1.014 10.905 3.325 1.00 1.63 H new ATOM 2443 N TYR A 139 7.411 5.761 4.391 1.00 0.39 N ATOM 2444 CA TYR A 139 7.888 5.078 5.590 1.00 0.36 C ATOM 2445 C TYR A 139 6.763 4.838 6.584 1.00 0.34 C ATOM 2446 O TYR A 139 6.245 5.779 7.194 1.00 0.39 O ATOM 2447 CB TYR A 139 8.991 5.886 6.272 1.00 0.42 C ATOM 2448 CG TYR A 139 10.293 5.938 5.510 1.00 0.44 C ATOM 2449 CD1 TYR A 139 10.571 6.992 4.652 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.235 4.927 5.635 1.00 0.50 C ATOM 2451 CE1 TYR A 139 11.753 7.038 3.939 1.00 0.52 C ATOM 2452 CE2 TYR A 139 12.420 4.967 4.930 1.00 0.56 C ATOM 2453 CZ TYR A 139 12.703 6.042 4.135 1.00 0.56 C ATOM 2454 OH TYR A 139 13.850 6.063 3.371 1.00 0.64 O ATOM 0 H TYR A 139 7.323 6.773 4.487 1.00 0.39 H new ATOM 0 HA TYR A 139 8.284 4.114 5.270 1.00 0.36 H new ATOM 0 HB2 TYR A 139 8.635 6.904 6.427 1.00 0.42 H new ATOM 0 HB3 TYR A 139 9.179 5.461 7.258 1.00 0.42 H new ATOM 0 HD1 TYR A 139 9.851 7.790 4.540 1.00 0.46 H new ATOM 0 HD2 TYR A 139 11.037 4.095 6.295 1.00 0.50 H new ATOM 0 HE1 TYR A 139 11.937 7.838 3.237 1.00 0.52 H new ATOM 0 HE2 TYR A 139 13.123 4.150 5.006 1.00 0.56 H new ATOM 0 HH TYR A 139 14.422 5.307 3.619 1.00 0.64 H new ATOM 2464 N TYR A 140 6.391 3.580 6.746 1.00 0.29 N ATOM 2465 CA TYR A 140 5.409 3.201 7.742 1.00 0.27 C ATOM 2466 C TYR A 140 6.061 2.395 8.852 1.00 0.29 C ATOM 2467 O TYR A 140 6.979 1.619 8.617 1.00 0.37 O ATOM 2468 CB TYR A 140 4.282 2.381 7.110 1.00 0.27 C ATOM 2469 CG TYR A 140 3.462 3.155 6.111 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.365 3.895 6.515 1.00 0.39 C ATOM 2471 CD2 TYR A 140 3.782 3.137 4.761 1.00 0.45 C ATOM 2472 CE1 TYR A 140 1.604 4.589 5.601 1.00 0.48 C ATOM 2473 CE2 TYR A 140 3.028 3.835 3.841 1.00 0.52 C ATOM 2474 CZ TYR A 140 1.972 4.607 4.276 1.00 0.48 C ATOM 2475 OH TYR A 140 1.168 5.239 3.351 1.00 0.60 O ATOM 0 H TYR A 140 6.757 2.802 6.197 1.00 0.29 H new ATOM 0 HA TYR A 140 4.988 4.115 8.161 1.00 0.27 H new ATOM 0 HB2 TYR A 140 4.711 1.508 6.618 1.00 0.27 H new ATOM 0 HB3 TYR A 140 3.626 2.012 7.898 1.00 0.27 H new ATOM 0 HD1 TYR A 140 2.102 3.929 7.562 1.00 0.39 H new ATOM 0 HD2 TYR A 140 4.636 2.567 4.425 1.00 0.45 H new ATOM 0 HE1 TYR A 140 0.720 5.118 5.924 1.00 0.48 H new ATOM 0 HE2 TYR A 140 3.263 3.777 2.788 1.00 0.52 H new ATOM 0 HH TYR A 140 1.261 4.798 2.481 1.00 0.60 H new ATOM 2485 N LYS A 141 5.592 2.600 10.061 1.00 0.37 N ATOM 2486 CA LYS A 141 6.008 1.795 11.192 1.00 0.48 C ATOM 2487 C LYS A 141 4.780 1.095 11.719 1.00 0.45 C ATOM 2488 O LYS A 141 3.698 1.447 11.313 1.00 0.54 O ATOM 2489 CB LYS A 141 6.604 2.653 12.279 1.00 0.69 C ATOM 2490 CG LYS A 141 5.599 3.553 12.957 1.00 0.72 C ATOM 2491 CD LYS A 141 6.161 4.059 14.253 1.00 0.97 C ATOM 2492 CE LYS A 141 7.471 4.776 14.003 1.00 1.45 C ATOM 2493 NZ LYS A 141 8.177 5.122 15.262 1.00 1.92 N ATOM 0 H LYS A 141 4.914 3.326 10.291 1.00 0.37 H new ATOM 0 HA LYS A 141 6.770 1.082 10.879 1.00 0.48 H new ATOM 0 HB2 LYS A 141 7.065 2.009 13.027 1.00 0.69 H new ATOM 0 HB3 LYS A 141 7.398 3.266 11.853 1.00 0.69 H new ATOM 0 HG2 LYS A 141 5.351 4.391 12.306 1.00 0.72 H new ATOM 0 HG3 LYS A 141 4.674 3.007 13.140 1.00 0.72 H new ATOM 0 HD2 LYS A 141 5.451 4.736 14.727 1.00 0.97 H new ATOM 0 HD3 LYS A 141 6.317 3.228 14.941 1.00 0.97 H new ATOM 0 HE2 LYS A 141 8.115 4.146 13.390 1.00 1.45 H new ATOM 0 HE3 LYS A 141 7.281 5.686 13.434 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 9.067 5.611 15.038 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 7.575 5.745 15.837 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 8.384 4.253 15.794 1.00 1.92 H new ATOM 2507 N LYS A 142 4.917 0.117 12.591 1.00 0.44 N ATOM 2508 CA LYS A 142 3.736 -0.471 13.233 1.00 0.43 C ATOM 2509 C LYS A 142 2.920 0.617 13.959 1.00 0.36 C ATOM 2510 O LYS A 142 3.382 1.739 14.138 1.00 0.34 O ATOM 2511 CB LYS A 142 4.158 -1.572 14.215 1.00 0.54 C ATOM 2512 CG LYS A 142 2.991 -2.331 14.836 1.00 0.87 C ATOM 2513 CD LYS A 142 3.464 -3.363 15.845 1.00 1.30 C ATOM 2514 CE LYS A 142 2.292 -4.079 16.500 1.00 1.43 C ATOM 2515 NZ LYS A 142 2.745 -5.107 17.472 1.00 2.13 N ATOM 0 H LYS A 142 5.810 -0.288 12.874 1.00 0.44 H new ATOM 0 HA LYS A 142 3.106 -0.916 12.463 1.00 0.43 H new ATOM 0 HB2 LYS A 142 4.803 -2.280 13.695 1.00 0.54 H new ATOM 0 HB3 LYS A 142 4.752 -1.125 15.012 1.00 0.54 H new ATOM 0 HG2 LYS A 142 2.318 -1.627 15.325 1.00 0.87 H new ATOM 0 HG3 LYS A 142 2.420 -2.826 14.051 1.00 0.87 H new ATOM 0 HD2 LYS A 142 4.106 -4.091 15.349 1.00 1.30 H new ATOM 0 HD3 LYS A 142 4.068 -2.875 16.610 1.00 1.30 H new ATOM 0 HE2 LYS A 142 1.660 -3.351 17.009 1.00 1.43 H new ATOM 0 HE3 LYS A 142 1.679 -4.551 15.732 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 1.917 -5.572 17.896 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 3.327 -5.816 16.982 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 3.308 -4.654 18.219 1.00 2.13 H new ATOM 2529 N GLN A 143 1.665 0.337 14.263 1.00 0.44 N ATOM 2530 CA GLN A 143 0.936 1.165 15.212 1.00 0.53 C ATOM 2531 C GLN A 143 1.256 0.729 16.633 1.00 0.68 C ATOM 2532 O GLN A 143 0.504 -0.103 17.183 1.00 1.46 O ATOM 2533 CB GLN A 143 -0.575 1.088 14.977 1.00 0.55 C ATOM 2534 CG GLN A 143 -1.000 1.399 13.557 1.00 0.63 C ATOM 2535 CD GLN A 143 -2.197 2.324 13.505 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -1.930 3.611 13.396 1.00 1.34 O flip ATOM 2537 NE2 GLN A 143 -3.345 1.888 13.538 1.00 1.28 N flip ATOM 2538 OXT GLN A 143 2.268 1.203 17.185 1.00 1.19 O ATOM 0 H GLN A 143 1.135 -0.443 13.875 1.00 0.44 H new ATOM 0 HA GLN A 143 1.250 2.198 15.065 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -0.921 0.088 15.237 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -1.072 1.783 15.653 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -0.167 1.856 13.023 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -1.239 0.470 13.040 1.00 0.63 H new ATOM 0 HE21 GLN A 143 -3.507 0.885 13.623 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -4.136 2.529 13.480 1.00 1.28 H new