USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 740 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 99 GLN : amide:sc= -3.47 K(o=-6,f=-1.1) USER MOD Set 1.2: A 102 TYR OH : rot 130:sc= -2.49 USER MOD Set 2.1: A 86 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 109 GLN : amide:sc= 0 X(o=0,f=0.019) USER MOD Set 3.1: A 50 HIS : no HD1:sc= -0.399 X(o=-0.4,f=-0.022) USER MOD Set 3.2: A 51 HIS : no HD1:sc= 0 X(o=-0.4,f=-0.052) USER MOD Set 4.1: A 30 SER OG : rot 146:sc=9.81e-05 USER MOD Set 4.2: A 33 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0229 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 156:sc= -0.137 (180deg=-0.658) USER MOD Single : A 31 GLN : amide:sc= -1.67! C(o=-1.7!,f=-1.8!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 138:sc= 0.357 (180deg=-0.135) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.74! K(o=-1.7!,f=-0.74) USER MOD Single : A 40 LYS NZ :NH3+ -110:sc= 0.516 (180deg=0) USER MOD Single : A 52 TYR OH : rot 30:sc= -0.879 USER MOD Single : A 53 GLN : amide:sc= -0.155 K(o=-0.16,f=-1.7!) USER MOD Single : A 57 LYS NZ :NH3+ -149:sc= -1.2! (180deg=-1.42!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0515 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -160:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.009) USER MOD Single : A 73 GLN : amide:sc= -2.57! C(o=-2.6!,f=-1.9!) USER MOD Single : A 74 THR OG1 : rot 132:sc= 0.169 USER MOD Single : A 75 MET CE :methyl -114:sc= -0.0432 (180deg=-0.189) USER MOD Single : A 79 ASN : amide:sc= -1.04 K(o=-1,f=-0.3) USER MOD Single : A 80 ASN : amide:sc= -0.0487 K(o=-0.049,f=-1.9!) USER MOD Single : A 84 ASN : amide:sc= -0.643 X(o=-0.64,f=-0.78!) USER MOD Single : A 85 THR OG1 : rot 63:sc= 0.631 USER MOD Single : A 87 TYR OH : rot 26:sc= 0.17 USER MOD Single : A 95 ASN : amide:sc= -9.09! C(o=-9.1!,f=-20!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -84:sc= 0.227 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -158:sc= 0.873 USER MOD ----------------------------------------------------------------- ATOM 208 N VAL A 17 -12.852 -12.372 2.022 1.00 0.00 N ATOM 209 CA VAL A 17 -12.112 -11.151 1.731 1.00 0.00 C ATOM 210 C VAL A 17 -10.634 -11.446 1.499 1.00 0.00 C ATOM 211 O VAL A 17 -10.073 -12.397 2.043 1.00 0.00 O ATOM 212 CB VAL A 17 -12.247 -10.128 2.874 1.00 0.00 C ATOM 213 CG1 VAL A 17 -13.682 -9.638 2.987 1.00 0.00 C ATOM 214 CG2 VAL A 17 -11.776 -10.732 4.189 1.00 0.00 C ATOM 0 HA VAL A 17 -12.542 -10.729 0.823 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.613 -9.271 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.757 -8.916 3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.979 -9.163 2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.340 -10.483 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.879 -9.995 4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.381 -11.607 4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.730 -11.027 4.100 1.00 0.00 H new ATOM 224 N PRO A 18 -9.987 -10.610 0.673 1.00 0.00 N ATOM 225 CA PRO A 18 -8.565 -10.759 0.351 1.00 0.00 C ATOM 226 C PRO A 18 -7.664 -10.440 1.539 1.00 0.00 C ATOM 227 O PRO A 18 -8.003 -9.607 2.379 1.00 0.00 O ATOM 228 CB PRO A 18 -8.347 -9.745 -0.773 1.00 0.00 C ATOM 229 CG PRO A 18 -9.408 -8.718 -0.568 1.00 0.00 C ATOM 230 CD PRO A 18 -10.593 -9.454 -0.009 1.00 0.00 C ATOM 0 HA PRO A 18 -8.316 -11.783 0.073 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.352 -9.303 -0.720 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.435 -10.215 -1.753 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.072 -7.941 0.119 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.662 -8.226 -1.507 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.162 -8.833 0.682 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.280 -9.766 -0.796 1.00 0.00 H new ATOM 238 N SER A 19 -6.516 -11.106 1.602 1.00 0.00 N ATOM 239 CA SER A 19 -5.567 -10.895 2.689 1.00 0.00 C ATOM 240 C SER A 19 -4.807 -9.587 2.499 1.00 0.00 C ATOM 241 O SER A 19 -4.859 -8.974 1.433 1.00 0.00 O ATOM 242 CB SER A 19 -4.584 -12.063 2.770 1.00 0.00 C ATOM 243 OG SER A 19 -3.925 -12.089 4.025 1.00 0.00 O ATOM 0 H SER A 19 -6.220 -11.797 0.913 1.00 0.00 H new ATOM 0 HA SER A 19 -6.127 -10.837 3.622 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.116 -13.002 2.616 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.848 -11.979 1.971 1.00 0.00 H new ATOM 0 HG SER A 19 -3.303 -12.846 4.052 1.00 0.00 H new ATOM 249 N SER A 20 -4.099 -9.165 3.543 1.00 0.00 N ATOM 250 CA SER A 20 -3.329 -7.927 3.494 1.00 0.00 C ATOM 251 C SER A 20 -2.141 -8.063 2.547 1.00 0.00 C ATOM 252 O SER A 20 -1.461 -9.090 2.506 1.00 0.00 O ATOM 253 CB SER A 20 -2.840 -7.550 4.893 1.00 0.00 C ATOM 254 OG SER A 20 -2.369 -8.689 5.593 1.00 0.00 O ATOM 0 H SER A 20 -4.043 -9.662 4.432 1.00 0.00 H new ATOM 0 HA SER A 20 -3.981 -7.138 3.120 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.042 -6.811 4.816 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.652 -7.085 5.453 1.00 0.00 H new ATOM 0 HG SER A 20 -2.060 -8.421 6.484 1.00 0.00 H new ATOM 260 N PRO A 21 -1.882 -7.004 1.766 1.00 0.00 N ATOM 261 CA PRO A 21 -0.775 -6.980 0.805 1.00 0.00 C ATOM 262 C PRO A 21 0.586 -6.930 1.491 1.00 0.00 C ATOM 263 O PRO A 21 0.675 -6.944 2.718 1.00 0.00 O ATOM 264 CB PRO A 21 -1.022 -5.693 0.013 1.00 0.00 C ATOM 265 CG PRO A 21 -1.799 -4.821 0.938 1.00 0.00 C ATOM 266 CD PRO A 21 -2.650 -5.748 1.762 1.00 0.00 C ATOM 0 HA PRO A 21 -0.750 -7.878 0.188 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.083 -5.222 -0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.578 -5.893 -0.903 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.134 -4.234 1.572 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.416 -4.115 0.383 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.799 -5.365 2.772 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.638 -5.883 1.323 1.00 0.00 H new ATOM 274 N TYR A 22 1.645 -6.873 0.690 1.00 0.00 N ATOM 275 CA TYR A 22 3.002 -6.825 1.220 1.00 0.00 C ATOM 276 C TYR A 22 3.945 -6.137 0.237 1.00 0.00 C ATOM 277 O TYR A 22 3.560 -5.806 -0.883 1.00 0.00 O ATOM 278 CB TYR A 22 3.504 -8.236 1.524 1.00 0.00 C ATOM 279 CG TYR A 22 3.702 -9.088 0.290 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.632 -9.754 -0.296 1.00 0.00 C ATOM 281 CD2 TYR A 22 4.957 -9.228 -0.289 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.808 -10.534 -1.423 1.00 0.00 C ATOM 283 CE2 TYR A 22 5.141 -10.004 -1.416 1.00 0.00 C ATOM 284 CZ TYR A 22 4.064 -10.656 -1.979 1.00 0.00 C ATOM 285 OH TYR A 22 4.243 -11.430 -3.102 1.00 0.00 O ATOM 0 H TYR A 22 1.589 -6.859 -0.328 1.00 0.00 H new ATOM 0 HA TYR A 22 2.984 -6.247 2.144 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.449 -8.168 2.064 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.793 -8.730 2.186 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.647 -9.660 0.137 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.803 -8.721 0.150 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.966 -11.045 -1.866 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.123 -10.100 -1.854 1.00 0.00 H new ATOM 0 HH TYR A 22 5.186 -11.409 -3.367 1.00 0.00 H new ATOM 295 N GLY A 23 5.186 -5.927 0.667 1.00 0.00 N ATOM 296 CA GLY A 23 6.167 -5.281 -0.186 1.00 0.00 C ATOM 297 C GLY A 23 5.954 -3.783 -0.283 1.00 0.00 C ATOM 298 O GLY A 23 6.523 -3.123 -1.153 1.00 0.00 O ATOM 0 H GLY A 23 5.529 -6.193 1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.167 -5.478 0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.120 -5.717 -1.184 1.00 0.00 H new ATOM 302 N VAL A 24 5.132 -3.244 0.611 1.00 0.00 N ATOM 303 CA VAL A 24 4.844 -1.815 0.622 1.00 0.00 C ATOM 304 C VAL A 24 6.104 -1.003 0.897 1.00 0.00 C ATOM 305 O VAL A 24 6.654 -1.043 1.998 1.00 0.00 O ATOM 306 CB VAL A 24 3.779 -1.465 1.679 1.00 0.00 C ATOM 307 CG1 VAL A 24 3.488 0.028 1.669 1.00 0.00 C ATOM 308 CG2 VAL A 24 2.508 -2.266 1.440 1.00 0.00 C ATOM 0 H VAL A 24 4.653 -3.776 1.338 1.00 0.00 H new ATOM 0 HA VAL A 24 4.461 -1.562 -0.366 1.00 0.00 H new ATOM 0 HB VAL A 24 4.168 -1.729 2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.734 0.257 2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.402 0.578 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.120 0.320 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.767 -2.006 2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.113 -2.036 0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.732 -3.331 1.502 1.00 0.00 H new ATOM 318 N LYS A 25 6.558 -0.266 -0.110 1.00 0.00 N ATOM 319 CA LYS A 25 7.754 0.558 0.022 1.00 0.00 C ATOM 320 C LYS A 25 7.661 1.796 -0.864 1.00 0.00 C ATOM 321 O LYS A 25 7.133 1.738 -1.975 1.00 0.00 O ATOM 322 CB LYS A 25 8.999 -0.252 -0.343 1.00 0.00 C ATOM 323 CG LYS A 25 8.843 -1.070 -1.614 1.00 0.00 C ATOM 324 CD LYS A 25 9.271 -0.282 -2.841 1.00 0.00 C ATOM 325 CE LYS A 25 10.750 -0.480 -3.140 1.00 0.00 C ATOM 326 NZ LYS A 25 11.062 -1.895 -3.483 1.00 0.00 N ATOM 0 H LYS A 25 6.116 -0.222 -1.028 1.00 0.00 H new ATOM 0 HA LYS A 25 7.831 0.881 1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.843 0.428 -0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.241 -0.922 0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.440 -1.979 -1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.803 -1.379 -1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.679 -0.595 -3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.069 0.777 -2.684 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.043 0.167 -3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.339 -0.178 -2.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.930 -1.930 -4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.201 -2.442 -2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.274 -2.303 -4.025 1.00 0.00 H new ATOM 340 N ILE A 26 8.181 2.913 -0.367 1.00 0.00 N ATOM 341 CA ILE A 26 8.159 4.165 -1.116 1.00 0.00 C ATOM 342 C ILE A 26 9.326 4.240 -2.095 1.00 0.00 C ATOM 343 O ILE A 26 10.451 4.562 -1.711 1.00 0.00 O ATOM 344 CB ILE A 26 8.212 5.384 -0.177 1.00 0.00 C ATOM 345 CG1 ILE A 26 7.347 5.139 1.061 1.00 0.00 C ATOM 346 CG2 ILE A 26 7.757 6.637 -0.909 1.00 0.00 C ATOM 347 CD1 ILE A 26 5.875 4.983 0.748 1.00 0.00 C ATOM 0 H ILE A 26 8.623 2.978 0.550 1.00 0.00 H new ATOM 0 HA ILE A 26 7.221 4.185 -1.670 1.00 0.00 H new ATOM 0 HB ILE A 26 9.243 5.531 0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.699 4.241 1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.477 5.969 1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.800 7.490 -0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.411 6.818 -1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.733 6.503 -1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.323 4.812 1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.507 5.890 0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.733 4.135 0.078 1.00 0.00 H new ATOM 359 N ILE A 27 9.049 3.943 -3.360 1.00 0.00 N ATOM 360 CA ILE A 27 10.076 3.979 -4.394 1.00 0.00 C ATOM 361 C ILE A 27 10.496 5.412 -4.702 1.00 0.00 C ATOM 362 O ILE A 27 11.674 5.691 -4.922 1.00 0.00 O ATOM 363 CB ILE A 27 9.590 3.309 -5.693 1.00 0.00 C ATOM 364 CG1 ILE A 27 8.295 3.964 -6.177 1.00 0.00 C ATOM 365 CG2 ILE A 27 9.387 1.817 -5.476 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.837 3.470 -7.531 1.00 0.00 C ATOM 0 H ILE A 27 8.123 3.675 -3.693 1.00 0.00 H new ATOM 0 HA ILE A 27 10.932 3.427 -4.007 1.00 0.00 H new ATOM 0 HB ILE A 27 10.352 3.444 -6.461 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.508 3.778 -5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.439 5.044 -6.223 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.044 1.358 -6.403 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.330 1.362 -5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.642 1.661 -4.696 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.914 3.977 -7.810 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.606 3.681 -8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.661 2.395 -7.486 1.00 0.00 H new ATOM 378 N GLU A 28 9.523 6.319 -4.712 1.00 0.00 N ATOM 379 CA GLU A 28 9.793 7.724 -4.991 1.00 0.00 C ATOM 380 C GLU A 28 9.215 8.617 -3.897 1.00 0.00 C ATOM 381 O GLU A 28 8.026 8.940 -3.907 1.00 0.00 O ATOM 382 CB GLU A 28 9.208 8.120 -6.349 1.00 0.00 C ATOM 383 CG GLU A 28 9.838 7.384 -7.521 1.00 0.00 C ATOM 384 CD GLU A 28 9.834 8.206 -8.795 1.00 0.00 C ATOM 385 OE1 GLU A 28 8.941 9.065 -8.945 1.00 0.00 O ATOM 386 OE2 GLU A 28 10.725 7.988 -9.643 1.00 0.00 O ATOM 0 H GLU A 28 8.542 6.105 -4.530 1.00 0.00 H new ATOM 0 HA GLU A 28 10.874 7.861 -5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.135 7.927 -6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.338 9.193 -6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.864 7.117 -7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.299 6.452 -7.692 1.00 0.00 H new ATOM 393 N LEU A 29 10.063 9.012 -2.954 1.00 0.00 N ATOM 394 CA LEU A 29 9.638 9.867 -1.851 1.00 0.00 C ATOM 395 C LEU A 29 10.063 11.312 -2.087 1.00 0.00 C ATOM 396 O LEU A 29 11.228 11.586 -2.378 1.00 0.00 O ATOM 397 CB LEU A 29 10.222 9.359 -0.532 1.00 0.00 C ATOM 398 CG LEU A 29 9.793 10.115 0.726 1.00 0.00 C ATOM 399 CD1 LEU A 29 8.300 9.955 0.963 1.00 0.00 C ATOM 400 CD2 LEU A 29 10.583 9.631 1.934 1.00 0.00 C ATOM 0 H LEU A 29 11.050 8.754 -2.931 1.00 0.00 H new ATOM 0 HA LEU A 29 8.550 9.833 -1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.945 8.311 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.309 9.396 -0.601 1.00 0.00 H new ATOM 0 HG LEU A 29 10.004 11.174 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.014 10.500 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.751 10.352 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.063 8.899 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.265 10.180 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.404 8.566 2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.646 9.800 1.765 1.00 0.00 H new ATOM 412 N SER A 30 9.115 12.233 -1.957 1.00 0.00 N ATOM 413 CA SER A 30 9.391 13.650 -2.158 1.00 0.00 C ATOM 414 C SER A 30 9.097 14.447 -0.890 1.00 0.00 C ATOM 415 O SER A 30 8.711 13.882 0.134 1.00 0.00 O ATOM 416 CB SER A 30 8.559 14.196 -3.321 1.00 0.00 C ATOM 417 OG SER A 30 8.777 13.442 -4.500 1.00 0.00 O ATOM 0 H SER A 30 8.147 12.023 -1.713 1.00 0.00 H new ATOM 0 HA SER A 30 10.449 13.757 -2.397 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.501 14.170 -3.059 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.818 15.240 -3.500 1.00 0.00 H new ATOM 0 HG SER A 30 7.948 13.404 -5.022 1.00 0.00 H new ATOM 423 N GLN A 31 9.282 15.760 -0.966 1.00 0.00 N ATOM 424 CA GLN A 31 9.037 16.634 0.175 1.00 0.00 C ATOM 425 C GLN A 31 7.552 16.954 0.306 1.00 0.00 C ATOM 426 O GLN A 31 7.093 17.401 1.358 1.00 0.00 O ATOM 427 CB GLN A 31 9.840 17.929 0.034 1.00 0.00 C ATOM 428 CG GLN A 31 9.710 18.580 -1.333 1.00 0.00 C ATOM 429 CD GLN A 31 10.759 18.092 -2.313 1.00 0.00 C ATOM 430 OE1 GLN A 31 10.434 17.612 -3.399 1.00 0.00 O ATOM 431 NE2 GLN A 31 12.026 18.216 -1.935 1.00 0.00 N ATOM 0 H GLN A 31 9.601 16.243 -1.806 1.00 0.00 H new ATOM 0 HA GLN A 31 9.358 16.112 1.076 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.511 18.635 0.796 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.892 17.718 0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.718 18.375 -1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.793 19.662 -1.226 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.250 18.620 -1.025 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.775 17.907 -2.554 1.00 0.00 H new ATOM 440 N THR A 32 6.804 16.723 -0.769 1.00 0.00 N ATOM 441 CA THR A 32 5.371 16.988 -0.774 1.00 0.00 C ATOM 442 C THR A 32 4.586 15.761 -1.226 1.00 0.00 C ATOM 443 O THR A 32 3.491 15.496 -0.732 1.00 0.00 O ATOM 444 CB THR A 32 5.022 18.173 -1.694 1.00 0.00 C ATOM 445 OG1 THR A 32 5.643 17.999 -2.973 1.00 0.00 O ATOM 446 CG2 THR A 32 5.477 19.488 -1.079 1.00 0.00 C ATOM 0 H THR A 32 7.167 16.353 -1.647 1.00 0.00 H new ATOM 0 HA THR A 32 5.093 17.238 0.250 1.00 0.00 H new ATOM 0 HB THR A 32 3.939 18.203 -1.817 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.415 18.755 -3.553 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.220 20.310 -1.747 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.981 19.631 -0.119 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.557 19.466 -0.930 1.00 0.00 H new ATOM 454 N THR A 33 5.155 15.015 -2.168 1.00 0.00 N ATOM 455 CA THR A 33 4.508 13.817 -2.686 1.00 0.00 C ATOM 456 C THR A 33 5.208 12.555 -2.190 1.00 0.00 C ATOM 457 O THR A 33 6.334 12.612 -1.696 1.00 0.00 O ATOM 458 CB THR A 33 4.493 13.807 -4.226 1.00 0.00 C ATOM 459 OG1 THR A 33 5.745 14.282 -4.732 1.00 0.00 O ATOM 460 CG2 THR A 33 3.364 14.676 -4.761 1.00 0.00 C ATOM 0 H THR A 33 6.062 15.220 -2.587 1.00 0.00 H new ATOM 0 HA THR A 33 3.482 13.830 -2.319 1.00 0.00 H new ATOM 0 HB THR A 33 4.332 12.781 -4.559 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.727 14.271 -5.712 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.373 14.654 -5.851 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.409 14.296 -4.398 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.500 15.702 -4.418 1.00 0.00 H new ATOM 468 N ALA A 34 4.534 11.418 -2.325 1.00 0.00 N ATOM 469 CA ALA A 34 5.093 10.143 -1.892 1.00 0.00 C ATOM 470 C ALA A 34 4.488 8.984 -2.677 1.00 0.00 C ATOM 471 O ALA A 34 3.288 8.722 -2.591 1.00 0.00 O ATOM 472 CB ALA A 34 4.868 9.948 -0.400 1.00 0.00 C ATOM 0 H ALA A 34 3.600 11.353 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 34 6.165 10.159 -2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.290 8.992 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.354 10.754 0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.799 9.958 -0.189 1.00 0.00 H new ATOM 478 N LYS A 35 5.326 8.294 -3.443 1.00 0.00 N ATOM 479 CA LYS A 35 4.874 7.161 -4.244 1.00 0.00 C ATOM 480 C LYS A 35 5.073 5.849 -3.491 1.00 0.00 C ATOM 481 O LYS A 35 6.200 5.476 -3.161 1.00 0.00 O ATOM 482 CB LYS A 35 5.628 7.119 -5.575 1.00 0.00 C ATOM 483 CG LYS A 35 5.123 6.047 -6.525 1.00 0.00 C ATOM 484 CD LYS A 35 5.926 6.023 -7.815 1.00 0.00 C ATOM 485 CE LYS A 35 5.684 7.273 -8.646 1.00 0.00 C ATOM 486 NZ LYS A 35 6.554 7.314 -9.853 1.00 0.00 N ATOM 0 H LYS A 35 6.322 8.499 -3.527 1.00 0.00 H new ATOM 0 HA LYS A 35 3.809 7.288 -4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.546 8.091 -6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.687 6.949 -5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.182 5.073 -6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.072 6.227 -6.753 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.988 5.940 -7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.657 5.141 -8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.638 7.309 -8.951 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.869 8.157 -8.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.000 7.644 -10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.348 7.965 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.923 6.361 -10.047 1.00 0.00 H new ATOM 500 N VAL A 36 3.974 5.151 -3.225 1.00 0.00 N ATOM 501 CA VAL A 36 4.029 3.879 -2.515 1.00 0.00 C ATOM 502 C VAL A 36 3.768 2.711 -3.459 1.00 0.00 C ATOM 503 O VAL A 36 2.730 2.653 -4.118 1.00 0.00 O ATOM 504 CB VAL A 36 3.006 3.834 -1.364 1.00 0.00 C ATOM 505 CG1 VAL A 36 1.628 4.247 -1.858 1.00 0.00 C ATOM 506 CG2 VAL A 36 2.965 2.447 -0.742 1.00 0.00 C ATOM 0 H VAL A 36 3.034 5.445 -3.491 1.00 0.00 H new ATOM 0 HA VAL A 36 5.034 3.790 -2.102 1.00 0.00 H new ATOM 0 HB VAL A 36 3.317 4.542 -0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.919 4.209 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.672 5.262 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.304 3.566 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.237 2.433 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.678 1.717 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.950 2.195 -0.350 1.00 0.00 H new ATOM 516 N SER A 37 4.716 1.782 -3.518 1.00 0.00 N ATOM 517 CA SER A 37 4.590 0.615 -4.383 1.00 0.00 C ATOM 518 C SER A 37 4.542 -0.669 -3.562 1.00 0.00 C ATOM 519 O SER A 37 5.459 -0.963 -2.795 1.00 0.00 O ATOM 520 CB SER A 37 5.757 0.559 -5.372 1.00 0.00 C ATOM 521 OG SER A 37 5.820 -0.702 -6.015 1.00 0.00 O ATOM 0 H SER A 37 5.580 1.815 -2.977 1.00 0.00 H new ATOM 0 HA SER A 37 3.656 0.704 -4.938 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.644 1.346 -6.118 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.693 0.750 -4.847 1.00 0.00 H new ATOM 0 HG SER A 37 6.573 -0.712 -6.643 1.00 0.00 H new ATOM 527 N PHE A 38 3.466 -1.431 -3.727 1.00 0.00 N ATOM 528 CA PHE A 38 3.297 -2.683 -3.000 1.00 0.00 C ATOM 529 C PHE A 38 3.011 -3.834 -3.960 1.00 0.00 C ATOM 530 O PHE A 38 2.938 -3.642 -5.173 1.00 0.00 O ATOM 531 CB PHE A 38 2.159 -2.558 -1.984 1.00 0.00 C ATOM 532 CG PHE A 38 0.977 -1.787 -2.499 1.00 0.00 C ATOM 533 CD1 PHE A 38 0.948 -0.405 -2.420 1.00 0.00 C ATOM 534 CD2 PHE A 38 -0.105 -2.446 -3.060 1.00 0.00 C ATOM 535 CE1 PHE A 38 -0.139 0.307 -2.893 1.00 0.00 C ATOM 536 CE2 PHE A 38 -1.193 -1.741 -3.536 1.00 0.00 C ATOM 537 CZ PHE A 38 -1.211 -0.362 -3.451 1.00 0.00 C ATOM 0 H PHE A 38 2.698 -1.203 -4.358 1.00 0.00 H new ATOM 0 HA PHE A 38 4.226 -2.895 -2.471 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.832 -3.556 -1.692 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.537 -2.071 -1.085 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.783 0.123 -1.984 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.097 -3.524 -3.126 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.150 1.385 -2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.029 -2.267 -3.974 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.062 0.192 -3.820 1.00 0.00 H new ATOM 547 N ASN A 39 2.852 -5.033 -3.407 1.00 0.00 N ATOM 548 CA ASN A 39 2.576 -6.216 -4.213 1.00 0.00 C ATOM 549 C ASN A 39 1.218 -6.813 -3.857 1.00 0.00 C ATOM 550 O ASN A 39 0.948 -7.120 -2.696 1.00 0.00 O ATOM 551 CB ASN A 39 3.674 -7.262 -4.013 1.00 0.00 C ATOM 552 CG ASN A 39 5.063 -6.688 -4.211 1.00 0.00 C ATOM 553 OD1 ASN A 39 5.381 -6.156 -5.275 1.00 0.00 O ATOM 554 ND2 ASN A 39 5.899 -6.793 -3.184 1.00 0.00 N ATOM 0 H ASN A 39 2.910 -5.210 -2.404 1.00 0.00 H new ATOM 0 HA ASN A 39 2.557 -5.915 -5.260 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.596 -7.679 -3.009 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.521 -8.084 -4.712 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.847 -6.425 -3.259 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.593 -7.242 -2.321 1.00 0.00 H new ATOM 561 N LYS A 40 0.366 -6.975 -4.863 1.00 0.00 N ATOM 562 CA LYS A 40 -0.963 -7.536 -4.659 1.00 0.00 C ATOM 563 C LYS A 40 -0.900 -8.773 -3.768 1.00 0.00 C ATOM 564 O LYS A 40 0.090 -9.504 -3.749 1.00 0.00 O ATOM 565 CB LYS A 40 -1.602 -7.894 -6.003 1.00 0.00 C ATOM 566 CG LYS A 40 -1.278 -9.301 -6.475 1.00 0.00 C ATOM 567 CD LYS A 40 -2.261 -10.316 -5.917 1.00 0.00 C ATOM 568 CE LYS A 40 -3.455 -10.502 -6.842 1.00 0.00 C ATOM 569 NZ LYS A 40 -4.511 -11.347 -6.222 1.00 0.00 N ATOM 0 H LYS A 40 0.573 -6.725 -5.830 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.575 -6.783 -4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.684 -7.787 -5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.267 -7.181 -6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.298 -9.334 -7.564 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.266 -9.565 -6.167 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.757 -11.272 -5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.606 -9.989 -4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.872 -9.528 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.124 -10.960 -7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.552 -12.265 -6.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.289 -11.498 -5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.431 -10.870 -6.305 1.00 0.00 H new ATOM 583 N PRO A 41 -1.982 -9.017 -3.014 1.00 0.00 N ATOM 584 CA PRO A 41 -2.075 -10.166 -2.110 1.00 0.00 C ATOM 585 C PRO A 41 -2.181 -11.489 -2.863 1.00 0.00 C ATOM 586 O PRO A 41 -3.130 -11.712 -3.613 1.00 0.00 O ATOM 587 CB PRO A 41 -3.359 -9.896 -1.321 1.00 0.00 C ATOM 588 CG PRO A 41 -4.178 -9.032 -2.217 1.00 0.00 C ATOM 589 CD PRO A 41 -3.200 -8.188 -2.986 1.00 0.00 C ATOM 0 HA PRO A 41 -1.188 -10.264 -1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.879 -10.823 -1.081 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.146 -9.397 -0.376 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.787 -9.635 -2.891 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.862 -8.409 -1.640 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.561 -7.970 -3.991 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.023 -7.231 -2.496 1.00 0.00 H new ATOM 652 N VAL A 47 -13.895 -14.026 -4.597 1.00 0.00 N ATOM 653 CA VAL A 47 -14.226 -12.919 -5.487 1.00 0.00 C ATOM 654 C VAL A 47 -12.976 -12.151 -5.898 1.00 0.00 C ATOM 655 O VAL A 47 -12.015 -12.027 -5.139 1.00 0.00 O ATOM 656 CB VAL A 47 -15.219 -11.945 -4.825 1.00 0.00 C ATOM 657 CG1 VAL A 47 -16.596 -12.581 -4.711 1.00 0.00 C ATOM 658 CG2 VAL A 47 -14.708 -11.511 -3.459 1.00 0.00 C ATOM 0 HA VAL A 47 -14.689 -13.353 -6.373 1.00 0.00 H new ATOM 0 HB VAL A 47 -15.306 -11.059 -5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -17.284 -11.878 -4.241 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.962 -12.837 -5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.530 -13.485 -4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.422 -10.823 -3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -14.591 -12.386 -2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.745 -11.013 -3.572 1.00 0.00 H new ATOM 668 N PRO A 48 -12.986 -11.622 -7.131 1.00 0.00 N ATOM 669 CA PRO A 48 -11.860 -10.854 -7.672 1.00 0.00 C ATOM 670 C PRO A 48 -11.696 -9.502 -6.986 1.00 0.00 C ATOM 671 O PRO A 48 -12.667 -8.919 -6.504 1.00 0.00 O ATOM 672 CB PRO A 48 -12.235 -10.664 -9.144 1.00 0.00 C ATOM 673 CG PRO A 48 -13.722 -10.753 -9.171 1.00 0.00 C ATOM 674 CD PRO A 48 -14.098 -11.730 -8.090 1.00 0.00 C ATOM 0 HA PRO A 48 -10.909 -11.365 -7.522 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.889 -9.701 -9.519 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.781 -11.432 -9.770 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.175 -9.778 -8.991 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.075 -11.093 -10.145 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -15.052 -11.473 -7.630 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -14.195 -12.743 -8.480 1.00 0.00 H new ATOM 682 N ILE A 49 -10.463 -9.010 -6.945 1.00 0.00 N ATOM 683 CA ILE A 49 -10.173 -7.727 -6.319 1.00 0.00 C ATOM 684 C ILE A 49 -10.623 -6.569 -7.204 1.00 0.00 C ATOM 685 O ILE A 49 -10.366 -6.558 -8.409 1.00 0.00 O ATOM 686 CB ILE A 49 -8.670 -7.573 -6.017 1.00 0.00 C ATOM 687 CG1 ILE A 49 -8.262 -8.496 -4.867 1.00 0.00 C ATOM 688 CG2 ILE A 49 -8.342 -6.125 -5.685 1.00 0.00 C ATOM 689 CD1 ILE A 49 -6.765 -8.673 -4.737 1.00 0.00 C ATOM 0 H ILE A 49 -9.648 -9.481 -7.338 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.728 -7.702 -5.381 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.105 -7.858 -6.904 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.655 -8.095 -3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.724 -9.472 -5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.277 -6.032 -5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.601 -5.490 -6.532 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.913 -5.814 -4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.549 -9.339 -3.902 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.368 -9.103 -5.657 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.298 -7.704 -4.559 1.00 0.00 H new ATOM 701 N HIS A 50 -11.294 -5.595 -6.599 1.00 0.00 N ATOM 702 CA HIS A 50 -11.779 -4.430 -7.332 1.00 0.00 C ATOM 703 C HIS A 50 -10.738 -3.315 -7.330 1.00 0.00 C ATOM 704 O HIS A 50 -10.349 -2.813 -8.386 1.00 0.00 O ATOM 705 CB HIS A 50 -13.085 -3.924 -6.720 1.00 0.00 C ATOM 706 CG HIS A 50 -13.837 -2.981 -7.610 1.00 0.00 C ATOM 707 ND1 HIS A 50 -15.166 -3.151 -7.934 1.00 0.00 N ATOM 708 CD2 HIS A 50 -13.438 -1.853 -8.242 1.00 0.00 C ATOM 709 CE1 HIS A 50 -15.552 -2.169 -8.729 1.00 0.00 C ATOM 710 NE2 HIS A 50 -14.522 -1.367 -8.932 1.00 0.00 N ATOM 0 H HIS A 50 -11.515 -5.589 -5.603 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.962 -4.731 -8.364 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.722 -4.777 -6.487 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -12.865 -3.423 -5.777 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.451 -1.416 -8.210 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -16.542 -2.043 -9.143 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.530 -0.525 -9.507 1.00 0.00 H new ATOM 719 N HIS A 51 -10.288 -2.933 -6.140 1.00 0.00 N ATOM 720 CA HIS A 51 -9.291 -1.878 -6.001 1.00 0.00 C ATOM 721 C HIS A 51 -8.659 -1.906 -4.612 1.00 0.00 C ATOM 722 O HIS A 51 -8.981 -2.764 -3.790 1.00 0.00 O ATOM 723 CB HIS A 51 -9.926 -0.511 -6.257 1.00 0.00 C ATOM 724 CG HIS A 51 -10.891 -0.090 -5.192 1.00 0.00 C ATOM 725 ND1 HIS A 51 -12.184 -0.567 -5.116 1.00 0.00 N ATOM 726 CD2 HIS A 51 -10.748 0.768 -4.156 1.00 0.00 C ATOM 727 CE1 HIS A 51 -12.792 -0.020 -4.080 1.00 0.00 C ATOM 728 NE2 HIS A 51 -11.943 0.795 -3.479 1.00 0.00 N ATOM 0 H HIS A 51 -10.598 -3.339 -5.257 1.00 0.00 H new ATOM 0 HA HIS A 51 -8.509 -2.052 -6.740 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.138 0.237 -6.338 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.443 -0.534 -7.216 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.859 1.328 -3.907 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -13.811 -0.207 -3.775 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -12.142 1.353 -2.649 1.00 0.00 H new ATOM 737 N TYR A 52 -7.758 -0.963 -4.359 1.00 0.00 N ATOM 738 CA TYR A 52 -7.079 -0.882 -3.071 1.00 0.00 C ATOM 739 C TYR A 52 -7.397 0.435 -2.369 1.00 0.00 C ATOM 740 O TYR A 52 -7.499 1.481 -3.008 1.00 0.00 O ATOM 741 CB TYR A 52 -5.567 -1.021 -3.259 1.00 0.00 C ATOM 742 CG TYR A 52 -5.149 -2.349 -3.847 1.00 0.00 C ATOM 743 CD1 TYR A 52 -5.396 -2.649 -5.182 1.00 0.00 C ATOM 744 CD2 TYR A 52 -4.507 -3.304 -3.069 1.00 0.00 C ATOM 745 CE1 TYR A 52 -5.016 -3.861 -5.723 1.00 0.00 C ATOM 746 CE2 TYR A 52 -4.123 -4.520 -3.603 1.00 0.00 C ATOM 747 CZ TYR A 52 -4.380 -4.794 -4.929 1.00 0.00 C ATOM 748 OH TYR A 52 -3.999 -6.003 -5.465 1.00 0.00 O ATOM 0 H TYR A 52 -7.481 -0.245 -5.028 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.438 -1.701 -2.447 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.215 -0.219 -3.908 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.076 -0.890 -2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.894 -1.922 -5.806 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.304 -3.093 -2.029 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.215 -4.078 -6.762 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.624 -5.251 -2.984 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.798 -5.890 -6.418 1.00 0.00 H new ATOM 758 N GLN A 53 -7.552 0.372 -1.050 1.00 0.00 N ATOM 759 CA GLN A 53 -7.859 1.559 -0.260 1.00 0.00 C ATOM 760 C GLN A 53 -6.665 1.964 0.599 1.00 0.00 C ATOM 761 O GLN A 53 -6.235 1.215 1.475 1.00 0.00 O ATOM 762 CB GLN A 53 -9.079 1.305 0.626 1.00 0.00 C ATOM 763 CG GLN A 53 -9.856 2.567 0.967 1.00 0.00 C ATOM 764 CD GLN A 53 -11.290 2.279 1.364 1.00 0.00 C ATOM 765 OE1 GLN A 53 -11.898 1.319 0.888 1.00 0.00 O ATOM 766 NE2 GLN A 53 -11.840 3.110 2.242 1.00 0.00 N ATOM 0 H GLN A 53 -7.470 -0.487 -0.507 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.082 2.376 -0.947 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.744 0.604 0.122 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.754 0.828 1.550 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.355 3.089 1.782 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.848 3.237 0.108 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.300 3.893 2.611 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.802 2.965 2.547 1.00 0.00 H new ATOM 775 N VAL A 54 -6.134 3.155 0.340 1.00 0.00 N ATOM 776 CA VAL A 54 -4.990 3.660 1.090 1.00 0.00 C ATOM 777 C VAL A 54 -5.363 4.905 1.888 1.00 0.00 C ATOM 778 O VAL A 54 -6.001 5.820 1.366 1.00 0.00 O ATOM 779 CB VAL A 54 -3.811 3.995 0.158 1.00 0.00 C ATOM 780 CG1 VAL A 54 -2.604 4.448 0.966 1.00 0.00 C ATOM 781 CG2 VAL A 54 -3.462 2.795 -0.711 1.00 0.00 C ATOM 0 H VAL A 54 -6.477 3.787 -0.383 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.687 2.869 1.776 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.108 4.815 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.781 4.680 0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.864 5.337 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.302 3.652 1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.627 3.049 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.183 1.954 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.326 2.521 -1.317 1.00 0.00 H new ATOM 791 N ASP A 55 -4.961 4.933 3.153 1.00 0.00 N ATOM 792 CA ASP A 55 -5.251 6.068 4.023 1.00 0.00 C ATOM 793 C ASP A 55 -3.969 6.628 4.631 1.00 0.00 C ATOM 794 O ASP A 55 -3.202 5.904 5.266 1.00 0.00 O ATOM 795 CB ASP A 55 -6.218 5.652 5.133 1.00 0.00 C ATOM 796 CG ASP A 55 -7.125 6.787 5.566 1.00 0.00 C ATOM 797 OD1 ASP A 55 -6.708 7.959 5.445 1.00 0.00 O ATOM 798 OD2 ASP A 55 -8.250 6.505 6.026 1.00 0.00 O ATOM 0 H ASP A 55 -4.433 4.183 3.600 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.716 6.848 3.420 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.826 4.817 4.787 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.649 5.297 5.992 1.00 0.00 H new ATOM 803 N VAL A 56 -3.742 7.922 4.432 1.00 0.00 N ATOM 804 CA VAL A 56 -2.553 8.580 4.959 1.00 0.00 C ATOM 805 C VAL A 56 -2.928 9.759 5.850 1.00 0.00 C ATOM 806 O VAL A 56 -3.943 10.419 5.631 1.00 0.00 O ATOM 807 CB VAL A 56 -1.636 9.077 3.827 1.00 0.00 C ATOM 808 CG1 VAL A 56 -2.335 10.150 3.007 1.00 0.00 C ATOM 809 CG2 VAL A 56 -0.323 9.597 4.393 1.00 0.00 C ATOM 0 H VAL A 56 -4.367 8.536 3.909 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.016 7.837 5.549 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.413 8.237 3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.672 10.490 2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.245 9.739 2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.590 10.992 3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.312 9.944 3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.523 10.424 5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.183 8.796 4.932 1.00 0.00 H new ATOM 819 N LYS A 57 -2.099 10.021 6.856 1.00 0.00 N ATOM 820 CA LYS A 57 -2.342 11.122 7.781 1.00 0.00 C ATOM 821 C LYS A 57 -1.120 11.372 8.660 1.00 0.00 C ATOM 822 O LYS A 57 -0.181 10.578 8.673 1.00 0.00 O ATOM 823 CB LYS A 57 -3.560 10.823 8.656 1.00 0.00 C ATOM 824 CG LYS A 57 -3.217 10.114 9.954 1.00 0.00 C ATOM 825 CD LYS A 57 -4.424 10.017 10.873 1.00 0.00 C ATOM 826 CE LYS A 57 -4.086 9.286 12.163 1.00 0.00 C ATOM 827 NZ LYS A 57 -5.222 9.306 13.126 1.00 0.00 N ATOM 0 H LYS A 57 -1.253 9.486 7.051 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.537 12.020 7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.070 11.759 8.887 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.261 10.209 8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.844 9.113 9.735 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.415 10.650 10.461 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.787 11.018 11.105 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.232 9.496 10.360 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.820 8.253 11.936 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.212 9.747 12.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.853 9.301 14.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.790 10.164 12.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.818 8.466 12.978 1.00 0.00 H new ATOM 841 N GLU A 58 -1.142 12.481 9.394 1.00 0.00 N ATOM 842 CA GLU A 58 -0.036 12.834 10.276 1.00 0.00 C ATOM 843 C GLU A 58 -0.112 12.051 11.584 1.00 0.00 C ATOM 844 O GLU A 58 -1.186 11.886 12.160 1.00 0.00 O ATOM 845 CB GLU A 58 -0.046 14.336 10.567 1.00 0.00 C ATOM 846 CG GLU A 58 0.761 15.155 9.572 1.00 0.00 C ATOM 847 CD GLU A 58 0.306 16.600 9.502 1.00 0.00 C ATOM 848 OE1 GLU A 58 0.160 17.229 10.570 1.00 0.00 O ATOM 849 OE2 GLU A 58 0.095 17.101 8.377 1.00 0.00 O ATOM 0 H GLU A 58 -1.913 13.149 9.395 1.00 0.00 H new ATOM 0 HA GLU A 58 0.895 12.575 9.771 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.077 14.691 10.565 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.348 14.506 11.569 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.814 15.123 9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.678 14.703 8.583 1.00 0.00 H new ATOM 856 N VAL A 59 1.038 11.570 12.046 1.00 0.00 N ATOM 857 CA VAL A 59 1.104 10.805 13.284 1.00 0.00 C ATOM 858 C VAL A 59 0.553 11.609 14.457 1.00 0.00 C ATOM 859 O VAL A 59 0.322 11.069 15.538 1.00 0.00 O ATOM 860 CB VAL A 59 2.548 10.376 13.604 1.00 0.00 C ATOM 861 CG1 VAL A 59 3.491 11.565 13.509 1.00 0.00 C ATOM 862 CG2 VAL A 59 2.622 9.735 14.981 1.00 0.00 C ATOM 0 H VAL A 59 1.937 11.697 11.581 1.00 0.00 H new ATOM 0 HA VAL A 59 0.493 9.914 13.138 1.00 0.00 H new ATOM 0 HB VAL A 59 2.860 9.635 12.868 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.507 11.243 13.738 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.459 11.975 12.499 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.184 12.331 14.221 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.650 9.438 15.189 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.291 10.451 15.734 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.978 8.856 15.008 1.00 0.00 H new ATOM 872 N ALA A 60 0.344 12.902 14.233 1.00 0.00 N ATOM 873 CA ALA A 60 -0.182 13.780 15.271 1.00 0.00 C ATOM 874 C ALA A 60 -1.625 14.176 14.976 1.00 0.00 C ATOM 875 O ALA A 60 -2.384 14.516 15.883 1.00 0.00 O ATOM 876 CB ALA A 60 0.690 15.021 15.405 1.00 0.00 C ATOM 0 H ALA A 60 0.531 13.364 13.343 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.167 13.235 16.215 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.285 15.668 16.184 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.705 14.725 15.670 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.705 15.560 14.457 1.00 0.00 H new ATOM 882 N SER A 61 -1.998 14.129 13.701 1.00 0.00 N ATOM 883 CA SER A 61 -3.350 14.486 13.285 1.00 0.00 C ATOM 884 C SER A 61 -4.303 13.308 13.468 1.00 0.00 C ATOM 885 O SER A 61 -3.919 12.153 13.287 1.00 0.00 O ATOM 886 CB SER A 61 -3.354 14.940 11.825 1.00 0.00 C ATOM 887 OG SER A 61 -4.676 15.145 11.358 1.00 0.00 O ATOM 0 H SER A 61 -1.383 13.847 12.938 1.00 0.00 H new ATOM 0 HA SER A 61 -3.692 15.308 13.913 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.783 15.863 11.726 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.859 14.191 11.207 1.00 0.00 H new ATOM 0 HG SER A 61 -4.651 15.436 10.423 1.00 0.00 H new ATOM 893 N GLU A 62 -5.546 13.612 13.825 1.00 0.00 N ATOM 894 CA GLU A 62 -6.554 12.579 14.032 1.00 0.00 C ATOM 895 C GLU A 62 -7.504 12.499 12.840 1.00 0.00 C ATOM 896 O GLU A 62 -8.626 12.005 12.959 1.00 0.00 O ATOM 897 CB GLU A 62 -7.347 12.857 15.311 1.00 0.00 C ATOM 898 CG GLU A 62 -6.715 12.264 16.560 1.00 0.00 C ATOM 899 CD GLU A 62 -5.646 13.159 17.154 1.00 0.00 C ATOM 900 OE1 GLU A 62 -5.812 14.396 17.106 1.00 0.00 O ATOM 901 OE2 GLU A 62 -4.642 12.622 17.668 1.00 0.00 O ATOM 0 H GLU A 62 -5.879 14.564 13.977 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.041 11.622 14.132 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.445 13.935 15.440 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.354 12.456 15.198 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.490 12.086 17.305 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.279 11.295 16.317 1.00 0.00 H new ATOM 908 N ILE A 63 -7.046 12.987 11.693 1.00 0.00 N ATOM 909 CA ILE A 63 -7.853 12.970 10.479 1.00 0.00 C ATOM 910 C ILE A 63 -7.211 12.101 9.403 1.00 0.00 C ATOM 911 O ILE A 63 -6.148 12.431 8.878 1.00 0.00 O ATOM 912 CB ILE A 63 -8.060 14.390 9.920 1.00 0.00 C ATOM 913 CG1 ILE A 63 -8.729 15.282 10.969 1.00 0.00 C ATOM 914 CG2 ILE A 63 -8.892 14.343 8.648 1.00 0.00 C ATOM 915 CD1 ILE A 63 -8.540 16.761 10.713 1.00 0.00 C ATOM 0 H ILE A 63 -6.120 13.399 11.578 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.822 12.551 10.751 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.086 14.815 9.677 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.796 15.060 10.996 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.327 15.037 11.952 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.029 15.354 8.265 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.379 13.739 7.900 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.865 13.902 8.866 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.040 17.332 11.495 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.476 16.998 10.715 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.968 17.020 9.744 1.00 0.00 H new ATOM 927 N TRP A 64 -7.865 10.992 9.079 1.00 0.00 N ATOM 928 CA TRP A 64 -7.357 10.075 8.063 1.00 0.00 C ATOM 929 C TRP A 64 -7.866 10.463 6.678 1.00 0.00 C ATOM 930 O TRP A 64 -9.050 10.747 6.498 1.00 0.00 O ATOM 931 CB TRP A 64 -7.773 8.640 8.389 1.00 0.00 C ATOM 932 CG TRP A 64 -6.942 8.012 9.467 1.00 0.00 C ATOM 933 CD1 TRP A 64 -7.206 8.008 10.807 1.00 0.00 C ATOM 934 CD2 TRP A 64 -5.712 7.299 9.296 1.00 0.00 C ATOM 935 NE1 TRP A 64 -6.213 7.335 11.479 1.00 0.00 N ATOM 936 CE2 TRP A 64 -5.286 6.890 10.575 1.00 0.00 C ATOM 937 CE3 TRP A 64 -4.930 6.965 8.188 1.00 0.00 C ATOM 938 CZ2 TRP A 64 -4.114 6.165 10.773 1.00 0.00 C ATOM 939 CZ3 TRP A 64 -3.767 6.247 8.385 1.00 0.00 C ATOM 940 CH2 TRP A 64 -3.368 5.852 9.669 1.00 0.00 C ATOM 0 H TRP A 64 -8.747 10.705 9.504 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.269 10.139 8.061 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -8.819 8.633 8.696 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.702 8.034 7.486 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.067 8.466 11.270 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.173 7.191 12.488 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -5.230 7.263 7.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.805 5.861 11.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.154 5.985 7.535 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.454 5.290 9.790 1.00 0.00 H new ATOM 951 N LYS A 65 -6.964 10.471 5.703 1.00 0.00 N ATOM 952 CA LYS A 65 -7.321 10.822 4.334 1.00 0.00 C ATOM 953 C LYS A 65 -7.268 9.596 3.427 1.00 0.00 C ATOM 954 O LYS A 65 -6.217 8.973 3.273 1.00 0.00 O ATOM 955 CB LYS A 65 -6.380 11.905 3.801 1.00 0.00 C ATOM 956 CG LYS A 65 -6.413 13.191 4.610 1.00 0.00 C ATOM 957 CD LYS A 65 -5.381 14.189 4.112 1.00 0.00 C ATOM 958 CE LYS A 65 -5.945 15.066 3.004 1.00 0.00 C ATOM 959 NZ LYS A 65 -6.769 16.183 3.545 1.00 0.00 N ATOM 0 H LYS A 65 -5.980 10.238 5.836 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.341 11.206 4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.361 11.517 3.792 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.645 12.129 2.768 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.407 13.634 4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.226 12.966 5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.049 14.815 4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.504 13.655 3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.126 15.473 2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.553 14.458 2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.135 16.757 2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.565 15.795 4.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.183 16.778 4.165 1.00 0.00 H new ATOM 973 N ILE A 66 -8.405 9.259 2.829 1.00 0.00 N ATOM 974 CA ILE A 66 -8.485 8.110 1.935 1.00 0.00 C ATOM 975 C ILE A 66 -8.156 8.506 0.500 1.00 0.00 C ATOM 976 O ILE A 66 -8.471 9.612 0.061 1.00 0.00 O ATOM 977 CB ILE A 66 -9.884 7.466 1.971 1.00 0.00 C ATOM 978 CG1 ILE A 66 -10.173 6.898 3.361 1.00 0.00 C ATOM 979 CG2 ILE A 66 -9.993 6.378 0.914 1.00 0.00 C ATOM 980 CD1 ILE A 66 -9.329 5.690 3.707 1.00 0.00 C ATOM 0 H ILE A 66 -9.283 9.764 2.947 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.751 7.385 2.286 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.627 8.233 1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -10.002 7.676 4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.226 6.625 3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.987 5.932 0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.827 6.811 -0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.243 5.610 1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.587 5.340 4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.517 4.896 2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.274 5.963 3.679 1.00 0.00 H new ATOM 992 N VAL A 67 -7.522 7.594 -0.230 1.00 0.00 N ATOM 993 CA VAL A 67 -7.152 7.845 -1.617 1.00 0.00 C ATOM 994 C VAL A 67 -7.312 6.588 -2.465 1.00 0.00 C ATOM 995 O VAL A 67 -6.923 5.496 -2.053 1.00 0.00 O ATOM 996 CB VAL A 67 -5.700 8.345 -1.729 1.00 0.00 C ATOM 997 CG1 VAL A 67 -5.306 8.520 -3.188 1.00 0.00 C ATOM 998 CG2 VAL A 67 -5.524 9.647 -0.961 1.00 0.00 C ATOM 0 H VAL A 67 -7.254 6.673 0.117 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.824 8.618 -1.989 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.042 7.597 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.277 8.874 -3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.391 7.564 -3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.967 9.247 -3.659 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.492 9.986 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.192 10.405 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.762 9.484 0.090 1.00 0.00 H new ATOM 1008 N ARG A 68 -7.887 6.751 -3.652 1.00 0.00 N ATOM 1009 CA ARG A 68 -8.099 5.630 -4.559 1.00 0.00 C ATOM 1010 C ARG A 68 -6.886 5.420 -5.458 1.00 0.00 C ATOM 1011 O ARG A 68 -6.091 6.337 -5.669 1.00 0.00 O ATOM 1012 CB ARG A 68 -9.347 5.865 -5.413 1.00 0.00 C ATOM 1013 CG ARG A 68 -10.650 5.651 -4.661 1.00 0.00 C ATOM 1014 CD ARG A 68 -11.114 6.927 -3.976 1.00 0.00 C ATOM 1015 NE ARG A 68 -11.867 7.791 -4.880 1.00 0.00 N ATOM 1016 CZ ARG A 68 -12.389 8.957 -4.518 1.00 0.00 C ATOM 1017 NH1 ARG A 68 -12.240 9.397 -3.277 1.00 0.00 N ATOM 1018 NH2 ARG A 68 -13.061 9.687 -5.400 1.00 0.00 N ATOM 0 H ARG A 68 -8.214 7.649 -4.008 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.243 4.732 -3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.325 6.883 -5.801 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.320 5.196 -6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -11.419 5.308 -5.353 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.517 4.865 -3.917 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.735 6.672 -3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.249 7.469 -3.594 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.000 7.482 -5.843 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.723 8.840 -2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.642 10.293 -3.002 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -13.177 9.352 -6.357 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.462 10.583 -5.121 1.00 0.00 H new ATOM 1032 N SER A 69 -6.748 4.208 -5.987 1.00 0.00 N ATOM 1033 CA SER A 69 -5.629 3.878 -6.861 1.00 0.00 C ATOM 1034 C SER A 69 -6.025 4.016 -8.328 1.00 0.00 C ATOM 1035 O SER A 69 -5.474 3.340 -9.198 1.00 0.00 O ATOM 1036 CB SER A 69 -5.142 2.454 -6.584 1.00 0.00 C ATOM 1037 OG SER A 69 -4.901 2.258 -5.201 1.00 0.00 O ATOM 0 H SER A 69 -7.398 3.439 -5.825 1.00 0.00 H new ATOM 0 HA SER A 69 -4.820 4.579 -6.655 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.886 1.738 -6.932 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.228 2.263 -7.146 1.00 0.00 H new ATOM 0 HG SER A 69 -4.309 1.487 -5.078 1.00 0.00 H new ATOM 1043 N HIS A 70 -6.986 4.895 -8.594 1.00 0.00 N ATOM 1044 CA HIS A 70 -7.457 5.122 -9.956 1.00 0.00 C ATOM 1045 C HIS A 70 -7.451 3.825 -10.757 1.00 0.00 C ATOM 1046 O HIS A 70 -7.161 3.822 -11.953 1.00 0.00 O ATOM 1047 CB HIS A 70 -6.585 6.168 -10.652 1.00 0.00 C ATOM 1048 CG HIS A 70 -6.688 7.534 -10.044 1.00 0.00 C ATOM 1049 ND1 HIS A 70 -6.905 8.674 -10.789 1.00 0.00 N ATOM 1050 CD2 HIS A 70 -6.605 7.938 -8.755 1.00 0.00 C ATOM 1051 CE1 HIS A 70 -6.949 9.721 -9.983 1.00 0.00 C ATOM 1052 NE2 HIS A 70 -6.769 9.302 -8.744 1.00 0.00 N ATOM 0 H HIS A 70 -7.453 5.461 -7.886 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.481 5.490 -9.902 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.545 5.842 -10.620 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.869 6.225 -11.703 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.440 7.306 -7.895 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -7.106 10.746 -10.287 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.754 9.894 -7.914 1.00 0.00 H new ATOM 1061 N GLY A 71 -7.774 2.721 -10.089 1.00 0.00 N ATOM 1062 CA GLY A 71 -7.800 1.431 -10.755 1.00 0.00 C ATOM 1063 C GLY A 71 -7.358 0.301 -9.847 1.00 0.00 C ATOM 1064 O GLY A 71 -7.505 0.381 -8.627 1.00 0.00 O ATOM 0 H GLY A 71 -8.018 2.697 -9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.810 1.231 -11.114 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.152 1.464 -11.630 1.00 0.00 H new ATOM 1068 N VAL A 72 -6.815 -0.756 -10.441 1.00 0.00 N ATOM 1069 CA VAL A 72 -6.352 -1.909 -9.678 1.00 0.00 C ATOM 1070 C VAL A 72 -4.832 -1.913 -9.559 1.00 0.00 C ATOM 1071 O VAL A 72 -4.219 -2.960 -9.352 1.00 0.00 O ATOM 1072 CB VAL A 72 -6.809 -3.230 -10.323 1.00 0.00 C ATOM 1073 CG1 VAL A 72 -8.306 -3.424 -10.141 1.00 0.00 C ATOM 1074 CG2 VAL A 72 -6.435 -3.260 -11.797 1.00 0.00 C ATOM 0 H VAL A 72 -6.685 -0.838 -11.449 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.792 -1.829 -8.684 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.297 -4.053 -9.824 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.610 -4.363 -10.604 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.543 -3.450 -9.077 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.840 -2.598 -10.611 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.766 -4.201 -12.237 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.918 -2.429 -12.312 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.353 -3.172 -11.900 1.00 0.00 H new ATOM 1084 N GLN A 73 -4.230 -0.735 -9.691 1.00 0.00 N ATOM 1085 CA GLN A 73 -2.781 -0.603 -9.598 1.00 0.00 C ATOM 1086 C GLN A 73 -2.313 -0.743 -8.154 1.00 0.00 C ATOM 1087 O GLN A 73 -3.059 -0.457 -7.217 1.00 0.00 O ATOM 1088 CB GLN A 73 -2.332 0.744 -10.164 1.00 0.00 C ATOM 1089 CG GLN A 73 -2.889 1.938 -9.404 1.00 0.00 C ATOM 1090 CD GLN A 73 -3.042 3.167 -10.280 1.00 0.00 C ATOM 1091 OE1 GLN A 73 -2.388 4.187 -10.059 1.00 0.00 O ATOM 1092 NE2 GLN A 73 -3.910 3.077 -11.280 1.00 0.00 N ATOM 0 H GLN A 73 -4.723 0.141 -9.863 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.331 -1.403 -10.186 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.243 0.790 -10.150 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.640 0.812 -11.207 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.859 1.675 -8.981 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.230 2.172 -8.568 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.431 2.212 -11.427 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.056 3.872 -11.902 1.00 0.00 H new ATOM 1101 N THR A 74 -1.071 -1.185 -7.978 1.00 0.00 N ATOM 1102 CA THR A 74 -0.504 -1.363 -6.648 1.00 0.00 C ATOM 1103 C THR A 74 0.464 -0.236 -6.307 1.00 0.00 C ATOM 1104 O THR A 74 1.173 -0.297 -5.303 1.00 0.00 O ATOM 1105 CB THR A 74 0.234 -2.711 -6.528 1.00 0.00 C ATOM 1106 OG1 THR A 74 1.262 -2.796 -7.520 1.00 0.00 O ATOM 1107 CG2 THR A 74 -0.735 -3.873 -6.693 1.00 0.00 C ATOM 0 H THR A 74 -0.439 -1.426 -8.741 1.00 0.00 H new ATOM 0 HA THR A 74 -1.337 -1.348 -5.945 1.00 0.00 H new ATOM 0 HB THR A 74 0.682 -2.769 -5.536 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.095 -3.098 -7.102 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.193 -4.814 -6.605 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.500 -3.821 -5.919 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.207 -3.817 -7.674 1.00 0.00 H new ATOM 1115 N MET A 75 0.488 0.792 -7.149 1.00 0.00 N ATOM 1116 CA MET A 75 1.369 1.935 -6.934 1.00 0.00 C ATOM 1117 C MET A 75 0.607 3.246 -7.100 1.00 0.00 C ATOM 1118 O MET A 75 -0.054 3.468 -8.115 1.00 0.00 O ATOM 1119 CB MET A 75 2.546 1.888 -7.909 1.00 0.00 C ATOM 1120 CG MET A 75 3.513 3.051 -7.750 1.00 0.00 C ATOM 1121 SD MET A 75 3.076 4.464 -8.781 1.00 0.00 S ATOM 1122 CE MET A 75 3.913 4.042 -10.307 1.00 0.00 C ATOM 0 H MET A 75 -0.092 0.857 -7.986 1.00 0.00 H new ATOM 0 HA MET A 75 1.750 1.883 -5.914 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.088 0.953 -7.767 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.162 1.882 -8.929 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.533 3.361 -6.705 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.520 2.719 -8.004 1.00 0.00 H new ATOM 0 HE1 MET A 75 4.709 4.762 -10.496 1.00 0.00 H new ATOM 0 HE2 MET A 75 4.339 3.042 -10.224 1.00 0.00 H new ATOM 0 HE3 MET A 75 3.200 4.065 -11.131 1.00 0.00 H new ATOM 1132 N VAL A 76 0.705 4.113 -6.097 1.00 0.00 N ATOM 1133 CA VAL A 76 0.026 5.402 -6.133 1.00 0.00 C ATOM 1134 C VAL A 76 0.920 6.510 -5.587 1.00 0.00 C ATOM 1135 O VAL A 76 1.797 6.263 -4.759 1.00 0.00 O ATOM 1136 CB VAL A 76 -1.285 5.370 -5.323 1.00 0.00 C ATOM 1137 CG1 VAL A 76 -1.808 6.781 -5.096 1.00 0.00 C ATOM 1138 CG2 VAL A 76 -2.325 4.514 -6.029 1.00 0.00 C ATOM 0 H VAL A 76 1.248 3.946 -5.250 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.206 5.607 -7.178 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.080 4.924 -4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.734 6.738 -4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.067 7.360 -4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.999 7.257 -6.058 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.244 4.502 -5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.528 4.929 -7.016 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.948 3.496 -6.134 1.00 0.00 H new ATOM 1148 N VAL A 77 0.692 7.733 -6.055 1.00 0.00 N ATOM 1149 CA VAL A 77 1.476 8.879 -5.612 1.00 0.00 C ATOM 1150 C VAL A 77 0.625 9.845 -4.795 1.00 0.00 C ATOM 1151 O VAL A 77 -0.342 10.417 -5.299 1.00 0.00 O ATOM 1152 CB VAL A 77 2.087 9.636 -6.807 1.00 0.00 C ATOM 1153 CG1 VAL A 77 1.013 10.417 -7.550 1.00 0.00 C ATOM 1154 CG2 VAL A 77 3.201 10.559 -6.338 1.00 0.00 C ATOM 0 H VAL A 77 -0.029 7.955 -6.741 1.00 0.00 H new ATOM 0 HA VAL A 77 2.280 8.490 -4.987 1.00 0.00 H new ATOM 0 HB VAL A 77 2.515 8.908 -7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.463 10.945 -8.391 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.252 9.729 -7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.553 11.137 -6.873 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.622 11.086 -7.194 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.800 11.282 -5.628 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.981 9.971 -5.855 1.00 0.00 H new ATOM 1164 N LEU A 78 0.990 10.022 -3.530 1.00 0.00 N ATOM 1165 CA LEU A 78 0.261 10.920 -2.640 1.00 0.00 C ATOM 1166 C LEU A 78 0.718 12.363 -2.830 1.00 0.00 C ATOM 1167 O LEU A 78 1.861 12.618 -3.206 1.00 0.00 O ATOM 1168 CB LEU A 78 0.457 10.496 -1.184 1.00 0.00 C ATOM 1169 CG LEU A 78 -0.123 9.136 -0.797 1.00 0.00 C ATOM 1170 CD1 LEU A 78 0.334 8.739 0.598 1.00 0.00 C ATOM 1171 CD2 LEU A 78 -1.642 9.162 -0.876 1.00 0.00 C ATOM 0 H LEU A 78 1.787 9.555 -3.097 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.798 10.859 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.526 10.487 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.010 11.255 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 78 0.244 8.391 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.089 7.768 0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.422 8.679 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.003 9.485 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.038 8.185 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.029 9.919 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.949 9.401 -1.894 1.00 0.00 H new ATOM 1183 N ASN A 79 -0.183 13.303 -2.561 1.00 0.00 N ATOM 1184 CA ASN A 79 0.129 14.721 -2.700 1.00 0.00 C ATOM 1185 C ASN A 79 -0.470 15.524 -1.549 1.00 0.00 C ATOM 1186 O ASN A 79 -1.138 14.972 -0.675 1.00 0.00 O ATOM 1187 CB ASN A 79 -0.396 15.252 -4.035 1.00 0.00 C ATOM 1188 CG ASN A 79 -1.733 14.644 -4.414 1.00 0.00 C ATOM 1189 OD1 ASN A 79 -2.770 15.304 -4.340 1.00 0.00 O ATOM 1190 ND2 ASN A 79 -1.715 13.381 -4.821 1.00 0.00 N ATOM 0 H ASN A 79 -1.133 13.109 -2.246 1.00 0.00 H new ATOM 0 HA ASN A 79 1.213 14.834 -2.674 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.496 16.336 -3.978 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.332 15.040 -4.819 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.584 12.919 -5.088 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.832 12.872 -4.867 1.00 0.00 H new ATOM 1197 N ASN A 80 -0.230 16.831 -1.559 1.00 0.00 N ATOM 1198 CA ASN A 80 -0.745 17.711 -0.516 1.00 0.00 C ATOM 1199 C ASN A 80 -0.170 17.336 0.846 1.00 0.00 C ATOM 1200 O ASN A 80 -0.895 17.258 1.839 1.00 0.00 O ATOM 1201 CB ASN A 80 -2.273 17.644 -0.473 1.00 0.00 C ATOM 1202 CG ASN A 80 -2.914 18.280 -1.692 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -2.270 18.455 -2.726 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -4.189 18.631 -1.573 1.00 0.00 N ATOM 0 H ASN A 80 0.318 17.304 -2.278 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.438 18.730 -0.751 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.587 16.602 -0.403 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.631 18.146 0.426 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.674 19.065 -2.358 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.684 18.467 -0.696 1.00 0.00 H new ATOM 1211 N LEU A 81 1.137 17.103 0.887 1.00 0.00 N ATOM 1212 CA LEU A 81 1.811 16.736 2.128 1.00 0.00 C ATOM 1213 C LEU A 81 2.868 17.770 2.500 1.00 0.00 C ATOM 1214 O LEU A 81 3.501 18.366 1.628 1.00 0.00 O ATOM 1215 CB LEU A 81 2.456 15.356 1.993 1.00 0.00 C ATOM 1216 CG LEU A 81 1.642 14.306 1.237 1.00 0.00 C ATOM 1217 CD1 LEU A 81 2.538 13.172 0.767 1.00 0.00 C ATOM 1218 CD2 LEU A 81 0.516 13.772 2.111 1.00 0.00 C ATOM 0 H LEU A 81 1.752 17.162 0.075 1.00 0.00 H new ATOM 0 HA LEU A 81 1.065 16.705 2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.416 15.473 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.664 14.975 2.993 1.00 0.00 H new ATOM 0 HG LEU A 81 1.201 14.780 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.941 12.434 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.307 13.567 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.010 12.700 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.053 13.026 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.936 13.315 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.143 14.592 2.396 1.00 0.00 H new ATOM 1230 N GLU A 82 3.057 17.976 3.800 1.00 0.00 N ATOM 1231 CA GLU A 82 4.039 18.938 4.286 1.00 0.00 C ATOM 1232 C GLU A 82 5.415 18.291 4.415 1.00 0.00 C ATOM 1233 O GLU A 82 5.549 17.129 4.798 1.00 0.00 O ATOM 1234 CB GLU A 82 3.603 19.509 5.637 1.00 0.00 C ATOM 1235 CG GLU A 82 2.209 20.115 5.620 1.00 0.00 C ATOM 1236 CD GLU A 82 1.809 20.693 6.963 1.00 0.00 C ATOM 1237 OE1 GLU A 82 1.939 19.979 7.979 1.00 0.00 O ATOM 1238 OE2 GLU A 82 1.364 21.859 6.999 1.00 0.00 O ATOM 0 H GLU A 82 2.543 17.490 4.535 1.00 0.00 H new ATOM 0 HA GLU A 82 4.104 19.750 3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.637 18.717 6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.318 20.271 5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.167 20.899 4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.488 19.351 5.328 1.00 0.00 H new ATOM 1245 N PRO A 83 6.464 19.061 4.088 1.00 0.00 N ATOM 1246 CA PRO A 83 7.849 18.586 4.160 1.00 0.00 C ATOM 1247 C PRO A 83 8.319 18.383 5.596 1.00 0.00 C ATOM 1248 O PRO A 83 7.733 18.926 6.533 1.00 0.00 O ATOM 1249 CB PRO A 83 8.644 19.708 3.489 1.00 0.00 C ATOM 1250 CG PRO A 83 7.806 20.926 3.668 1.00 0.00 C ATOM 1251 CD PRO A 83 6.378 20.457 3.625 1.00 0.00 C ATOM 0 HA PRO A 83 7.972 17.614 3.682 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.624 19.830 3.951 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.814 19.496 2.433 1.00 0.00 H new ATOM 0 HG2 PRO A 83 8.027 21.416 4.616 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.002 21.653 2.880 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.738 21.057 4.273 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.964 20.522 2.619 1.00 0.00 H new ATOM 1259 N ASN A 84 9.380 17.601 5.762 1.00 0.00 N ATOM 1260 CA ASN A 84 9.929 17.328 7.086 1.00 0.00 C ATOM 1261 C ASN A 84 8.834 16.874 8.046 1.00 0.00 C ATOM 1262 O ASN A 84 8.848 17.217 9.228 1.00 0.00 O ATOM 1263 CB ASN A 84 10.624 18.574 7.640 1.00 0.00 C ATOM 1264 CG ASN A 84 11.610 18.243 8.743 1.00 0.00 C ATOM 1265 OD1 ASN A 84 11.384 17.333 9.540 1.00 0.00 O ATOM 1266 ND2 ASN A 84 12.710 18.986 8.794 1.00 0.00 N ATOM 0 H ASN A 84 9.877 17.145 4.997 1.00 0.00 H new ATOM 0 HA ASN A 84 10.660 16.525 6.990 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.146 19.086 6.831 1.00 0.00 H new ATOM 0 HB3 ASN A 84 9.873 19.266 8.023 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.410 18.812 9.516 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.855 19.730 8.112 1.00 0.00 H new ATOM 1273 N THR A 85 7.885 16.099 7.529 1.00 0.00 N ATOM 1274 CA THR A 85 6.782 15.598 8.339 1.00 0.00 C ATOM 1275 C THR A 85 6.581 14.102 8.129 1.00 0.00 C ATOM 1276 O THR A 85 6.912 13.562 7.073 1.00 0.00 O ATOM 1277 CB THR A 85 5.467 16.331 8.013 1.00 0.00 C ATOM 1278 OG1 THR A 85 5.633 17.741 8.202 1.00 0.00 O ATOM 1279 CG2 THR A 85 4.334 15.826 8.892 1.00 0.00 C ATOM 0 H THR A 85 7.859 15.805 6.553 1.00 0.00 H new ATOM 0 HA THR A 85 7.045 15.784 9.380 1.00 0.00 H new ATOM 0 HB THR A 85 5.214 16.132 6.972 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.304 18.079 7.572 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.416 16.358 8.644 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.191 14.758 8.724 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.581 15.999 9.939 1.00 0.00 H new ATOM 1287 N THR A 86 6.038 13.434 9.142 1.00 0.00 N ATOM 1288 CA THR A 86 5.793 12.000 9.069 1.00 0.00 C ATOM 1289 C THR A 86 4.307 11.703 8.898 1.00 0.00 C ATOM 1290 O THR A 86 3.456 12.425 9.418 1.00 0.00 O ATOM 1291 CB THR A 86 6.308 11.277 10.328 1.00 0.00 C ATOM 1292 OG1 THR A 86 7.672 11.635 10.574 1.00 0.00 O ATOM 1293 CG2 THR A 86 6.196 9.767 10.169 1.00 0.00 C ATOM 0 H THR A 86 5.759 13.865 10.024 1.00 0.00 H new ATOM 0 HA THR A 86 6.336 11.631 8.199 1.00 0.00 H new ATOM 0 HB THR A 86 5.693 11.584 11.174 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.992 11.173 11.377 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.566 9.278 11.070 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.153 9.494 10.010 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.789 9.446 9.313 1.00 0.00 H new ATOM 1301 N TYR A 87 4.001 10.635 8.169 1.00 0.00 N ATOM 1302 CA TYR A 87 2.618 10.244 7.929 1.00 0.00 C ATOM 1303 C TYR A 87 2.477 8.725 7.905 1.00 0.00 C ATOM 1304 O TYR A 87 3.357 8.018 7.415 1.00 0.00 O ATOM 1305 CB TYR A 87 2.121 10.834 6.608 1.00 0.00 C ATOM 1306 CG TYR A 87 2.404 12.312 6.460 1.00 0.00 C ATOM 1307 CD1 TYR A 87 3.693 12.772 6.222 1.00 0.00 C ATOM 1308 CD2 TYR A 87 1.382 13.248 6.557 1.00 0.00 C ATOM 1309 CE1 TYR A 87 3.957 14.122 6.087 1.00 0.00 C ATOM 1310 CE2 TYR A 87 1.636 14.600 6.423 1.00 0.00 C ATOM 1311 CZ TYR A 87 2.925 15.031 6.188 1.00 0.00 C ATOM 1312 OH TYR A 87 3.183 16.376 6.053 1.00 0.00 O ATOM 0 H TYR A 87 4.693 10.025 7.734 1.00 0.00 H new ATOM 0 HA TYR A 87 2.010 10.634 8.745 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.589 10.299 5.782 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.047 10.669 6.527 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.503 12.062 6.141 1.00 0.00 H new ATOM 0 HD2 TYR A 87 0.372 12.913 6.740 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.965 14.463 5.904 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.830 15.315 6.502 1.00 0.00 H new ATOM 0 HH TYR A 87 3.984 16.502 5.502 1.00 0.00 H new ATOM 1322 N GLU A 88 1.364 8.232 8.438 1.00 0.00 N ATOM 1323 CA GLU A 88 1.108 6.798 8.479 1.00 0.00 C ATOM 1324 C GLU A 88 0.186 6.377 7.338 1.00 0.00 C ATOM 1325 O GLU A 88 -0.935 6.873 7.218 1.00 0.00 O ATOM 1326 CB GLU A 88 0.488 6.405 9.822 1.00 0.00 C ATOM 1327 CG GLU A 88 1.061 7.169 11.003 1.00 0.00 C ATOM 1328 CD GLU A 88 0.215 7.029 12.254 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -0.976 7.401 12.209 1.00 0.00 O ATOM 1330 OE2 GLU A 88 0.745 6.547 13.277 1.00 0.00 O ATOM 0 H GLU A 88 0.626 8.804 8.847 1.00 0.00 H new ATOM 0 HA GLU A 88 2.061 6.282 8.363 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.588 6.573 9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.638 5.337 9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.069 6.810 11.209 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.145 8.224 10.742 1.00 0.00 H new ATOM 1337 N ILE A 89 0.666 5.460 6.504 1.00 0.00 N ATOM 1338 CA ILE A 89 -0.115 4.973 5.374 1.00 0.00 C ATOM 1339 C ILE A 89 -0.364 3.472 5.485 1.00 0.00 C ATOM 1340 O ILE A 89 0.509 2.718 5.912 1.00 0.00 O ATOM 1341 CB ILE A 89 0.587 5.268 4.035 1.00 0.00 C ATOM 1342 CG1 ILE A 89 0.135 4.272 2.967 1.00 0.00 C ATOM 1343 CG2 ILE A 89 2.098 5.219 4.208 1.00 0.00 C ATOM 1344 CD1 ILE A 89 0.589 4.636 1.570 1.00 0.00 C ATOM 0 H ILE A 89 1.591 5.040 6.590 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.069 5.500 5.398 1.00 0.00 H new ATOM 0 HB ILE A 89 0.310 6.271 3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.518 3.283 3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.953 4.205 2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.581 5.429 3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.405 5.965 4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.393 4.228 4.553 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.232 3.886 0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.184 5.611 1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.678 4.674 1.540 1.00 0.00 H new ATOM 1356 N ARG A 90 -1.562 3.047 5.094 1.00 0.00 N ATOM 1357 CA ARG A 90 -1.925 1.637 5.149 1.00 0.00 C ATOM 1358 C ARG A 90 -2.638 1.209 3.868 1.00 0.00 C ATOM 1359 O ARG A 90 -3.517 1.912 3.370 1.00 0.00 O ATOM 1360 CB ARG A 90 -2.822 1.366 6.359 1.00 0.00 C ATOM 1361 CG ARG A 90 -3.787 2.498 6.667 1.00 0.00 C ATOM 1362 CD ARG A 90 -5.105 2.325 5.928 1.00 0.00 C ATOM 1363 NE ARG A 90 -6.235 2.838 6.697 1.00 0.00 N ATOM 1364 CZ ARG A 90 -7.451 3.013 6.190 1.00 0.00 C ATOM 1365 NH1 ARG A 90 -7.691 2.716 4.920 1.00 0.00 N ATOM 1366 NH2 ARG A 90 -8.428 3.484 6.954 1.00 0.00 N ATOM 0 H ARG A 90 -2.296 3.659 4.736 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.009 1.055 5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.391 0.453 6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.195 1.187 7.232 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.973 2.537 7.740 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.334 3.449 6.387 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.054 2.842 4.970 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.263 1.268 5.712 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.083 3.075 7.677 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.942 2.353 4.331 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.625 2.851 4.532 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.246 3.712 7.931 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.361 3.618 6.564 1.00 0.00 H new ATOM 1380 N VAL A 91 -2.251 0.052 3.340 1.00 0.00 N ATOM 1381 CA VAL A 91 -2.852 -0.469 2.118 1.00 0.00 C ATOM 1382 C VAL A 91 -3.743 -1.671 2.414 1.00 0.00 C ATOM 1383 O VAL A 91 -3.325 -2.617 3.082 1.00 0.00 O ATOM 1384 CB VAL A 91 -1.778 -0.880 1.095 1.00 0.00 C ATOM 1385 CG1 VAL A 91 -2.414 -1.192 -0.251 1.00 0.00 C ATOM 1386 CG2 VAL A 91 -0.728 0.213 0.958 1.00 0.00 C ATOM 0 H VAL A 91 -1.524 -0.542 3.739 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.457 0.333 1.695 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.285 -1.783 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.639 -1.481 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.125 -2.011 -0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.935 -0.309 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.024 -0.094 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.204 1.134 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.251 0.382 1.923 1.00 0.00 H new ATOM 1396 N ALA A 92 -4.972 -1.627 1.911 1.00 0.00 N ATOM 1397 CA ALA A 92 -5.921 -2.714 2.119 1.00 0.00 C ATOM 1398 C ALA A 92 -6.585 -3.122 0.807 1.00 0.00 C ATOM 1399 O ALA A 92 -6.784 -2.295 -0.082 1.00 0.00 O ATOM 1400 CB ALA A 92 -6.972 -2.309 3.141 1.00 0.00 C ATOM 0 H ALA A 92 -5.334 -0.851 1.357 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.372 -3.575 2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.674 -3.130 3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.487 -2.074 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.510 -1.432 2.782 1.00 0.00 H new ATOM 1406 N ALA A 93 -6.924 -4.402 0.694 1.00 0.00 N ATOM 1407 CA ALA A 93 -7.566 -4.919 -0.508 1.00 0.00 C ATOM 1408 C ALA A 93 -9.079 -4.991 -0.334 1.00 0.00 C ATOM 1409 O ALA A 93 -9.577 -5.616 0.602 1.00 0.00 O ATOM 1410 CB ALA A 93 -7.006 -6.290 -0.858 1.00 0.00 C ATOM 0 H ALA A 93 -6.765 -5.100 1.421 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.353 -4.233 -1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.495 -6.664 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.933 -6.211 -1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.188 -6.979 -0.033 1.00 0.00 H new ATOM 1416 N VAL A 94 -9.806 -4.348 -1.242 1.00 0.00 N ATOM 1417 CA VAL A 94 -11.263 -4.341 -1.189 1.00 0.00 C ATOM 1418 C VAL A 94 -11.862 -4.950 -2.452 1.00 0.00 C ATOM 1419 O VAL A 94 -11.401 -4.686 -3.561 1.00 0.00 O ATOM 1420 CB VAL A 94 -11.811 -2.912 -1.014 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -13.332 -2.922 -0.983 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -11.249 -2.277 0.250 1.00 0.00 C ATOM 0 H VAL A 94 -9.410 -3.825 -2.023 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.551 -4.942 -0.327 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.493 -2.313 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.700 -1.904 -0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.712 -3.334 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.675 -3.536 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.647 -1.268 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.535 -2.874 1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.162 -2.233 0.183 1.00 0.00 H new ATOM 1432 N ASN A 95 -12.894 -5.770 -2.274 1.00 0.00 N ATOM 1433 CA ASN A 95 -13.556 -6.419 -3.399 1.00 0.00 C ATOM 1434 C ASN A 95 -15.065 -6.485 -3.177 1.00 0.00 C ATOM 1435 O ASN A 95 -15.581 -5.961 -2.191 1.00 0.00 O ATOM 1436 CB ASN A 95 -12.998 -7.829 -3.603 1.00 0.00 C ATOM 1437 CG ASN A 95 -13.313 -8.749 -2.439 1.00 0.00 C ATOM 1438 OD1 ASN A 95 -14.056 -8.384 -1.529 1.00 0.00 O ATOM 1439 ND2 ASN A 95 -12.746 -9.950 -2.465 1.00 0.00 N ATOM 0 H ASN A 95 -13.289 -6.000 -1.362 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.363 -5.826 -4.293 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -13.411 -8.252 -4.519 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.918 -7.774 -3.737 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -12.920 -10.613 -1.709 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.136 -10.210 -3.241 1.00 0.00 H new ATOM 1446 N GLY A 96 -15.766 -7.131 -4.103 1.00 0.00 N ATOM 1447 CA GLY A 96 -17.208 -7.254 -3.991 1.00 0.00 C ATOM 1448 C GLY A 96 -17.641 -7.789 -2.640 1.00 0.00 C ATOM 1449 O GLY A 96 -18.790 -7.615 -2.234 1.00 0.00 O ATOM 0 H GLY A 96 -15.361 -7.572 -4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -17.667 -6.279 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -17.575 -7.916 -4.775 1.00 0.00 H new ATOM 1453 N LYS A 97 -16.719 -8.444 -1.943 1.00 0.00 N ATOM 1454 CA LYS A 97 -17.010 -9.007 -0.630 1.00 0.00 C ATOM 1455 C LYS A 97 -16.927 -7.936 0.453 1.00 0.00 C ATOM 1456 O LYS A 97 -17.903 -7.669 1.153 1.00 0.00 O ATOM 1457 CB LYS A 97 -16.037 -10.145 -0.312 1.00 0.00 C ATOM 1458 CG LYS A 97 -16.628 -11.219 0.585 1.00 0.00 C ATOM 1459 CD LYS A 97 -17.296 -12.318 -0.224 1.00 0.00 C ATOM 1460 CE LYS A 97 -18.734 -11.961 -0.568 1.00 0.00 C ATOM 1461 NZ LYS A 97 -19.545 -13.169 -0.883 1.00 0.00 N ATOM 0 H LYS A 97 -15.764 -8.598 -2.266 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.026 -9.401 -0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.709 -10.603 -1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.151 -9.730 0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.842 -11.650 1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.356 -10.770 1.260 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.733 -12.489 -1.142 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -17.276 -13.250 0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.186 -11.428 0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.746 -11.283 -1.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -20.518 -12.884 -1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -19.129 -13.664 -1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.555 -13.805 -0.060 1.00 0.00 H new ATOM 1475 N GLY A 98 -15.754 -7.324 0.584 1.00 0.00 N ATOM 1476 CA GLY A 98 -15.565 -6.287 1.583 1.00 0.00 C ATOM 1477 C GLY A 98 -14.145 -5.762 1.612 1.00 0.00 C ATOM 1478 O GLY A 98 -13.486 -5.678 0.576 1.00 0.00 O ATOM 0 H GLY A 98 -14.931 -7.527 0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.250 -5.463 1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -15.823 -6.682 2.566 1.00 0.00 H new ATOM 1482 N GLN A 99 -13.670 -5.408 2.802 1.00 0.00 N ATOM 1483 CA GLN A 99 -12.319 -4.886 2.961 1.00 0.00 C ATOM 1484 C GLN A 99 -11.490 -5.787 3.873 1.00 0.00 C ATOM 1485 O GLN A 99 -11.657 -5.775 5.091 1.00 0.00 O ATOM 1486 CB GLN A 99 -12.361 -3.467 3.529 1.00 0.00 C ATOM 1487 CG GLN A 99 -11.015 -2.759 3.501 1.00 0.00 C ATOM 1488 CD GLN A 99 -11.147 -1.251 3.581 1.00 0.00 C ATOM 1489 OE1 GLN A 99 -12.136 -0.730 4.097 1.00 0.00 O ATOM 1490 NE2 GLN A 99 -10.148 -0.541 3.071 1.00 0.00 N ATOM 0 H GLN A 99 -14.202 -5.474 3.670 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.848 -4.863 1.978 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -13.083 -2.879 2.962 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.720 -3.507 4.558 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.406 -3.111 4.334 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.487 -3.026 2.585 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.347 -1.015 2.653 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -10.181 0.478 3.097 1.00 0.00 H new ATOM 1499 N GLY A 100 -10.597 -6.568 3.272 1.00 0.00 N ATOM 1500 CA GLY A 100 -9.757 -7.464 4.045 1.00 0.00 C ATOM 1501 C GLY A 100 -8.940 -6.734 5.092 1.00 0.00 C ATOM 1502 O GLY A 100 -9.028 -5.512 5.218 1.00 0.00 O ATOM 0 H GLY A 100 -10.441 -6.596 2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.382 -8.212 4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.086 -7.998 3.373 1.00 0.00 H new ATOM 1506 N ASP A 101 -8.144 -7.483 5.848 1.00 0.00 N ATOM 1507 CA ASP A 101 -7.307 -6.900 6.890 1.00 0.00 C ATOM 1508 C ASP A 101 -6.395 -5.821 6.315 1.00 0.00 C ATOM 1509 O ASP A 101 -6.305 -5.655 5.098 1.00 0.00 O ATOM 1510 CB ASP A 101 -6.471 -7.986 7.569 1.00 0.00 C ATOM 1511 CG ASP A 101 -7.242 -8.722 8.646 1.00 0.00 C ATOM 1512 OD1 ASP A 101 -8.094 -9.567 8.295 1.00 0.00 O ATOM 1513 OD2 ASP A 101 -6.995 -8.456 9.840 1.00 0.00 O ATOM 0 H ASP A 101 -8.061 -8.496 5.758 1.00 0.00 H new ATOM 0 HA ASP A 101 -7.960 -6.439 7.631 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.129 -8.699 6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -5.581 -7.534 8.008 1.00 0.00 H new ATOM 1518 N TYR A 102 -5.721 -5.092 7.197 1.00 0.00 N ATOM 1519 CA TYR A 102 -4.819 -4.027 6.778 1.00 0.00 C ATOM 1520 C TYR A 102 -3.363 -4.424 7.008 1.00 0.00 C ATOM 1521 O TYR A 102 -3.031 -5.043 8.020 1.00 0.00 O ATOM 1522 CB TYR A 102 -5.133 -2.735 7.534 1.00 0.00 C ATOM 1523 CG TYR A 102 -6.331 -1.991 6.990 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -7.619 -2.314 7.402 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -6.177 -0.968 6.064 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -8.717 -1.637 6.907 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -7.270 -0.285 5.565 1.00 0.00 C ATOM 1528 CZ TYR A 102 -8.538 -0.624 5.990 1.00 0.00 C ATOM 1529 OH TYR A 102 -9.629 0.053 5.494 1.00 0.00 O ATOM 0 H TYR A 102 -5.782 -5.219 8.207 1.00 0.00 H new ATOM 0 HA TYR A 102 -4.967 -3.860 5.711 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -5.309 -2.972 8.583 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.262 -2.081 7.496 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -7.764 -3.107 8.121 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -5.186 -0.701 5.728 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.711 -1.900 7.237 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.132 0.509 4.847 1.00 0.00 H new ATOM 0 HH TYR A 102 -9.478 1.018 5.571 1.00 0.00 H new ATOM 1539 N SER A 103 -2.501 -4.062 6.065 1.00 0.00 N ATOM 1540 CA SER A 103 -1.082 -4.382 6.163 1.00 0.00 C ATOM 1541 C SER A 103 -0.410 -3.547 7.249 1.00 0.00 C ATOM 1542 O SER A 103 -0.851 -2.441 7.560 1.00 0.00 O ATOM 1543 CB SER A 103 -0.389 -4.143 4.819 1.00 0.00 C ATOM 1544 OG SER A 103 -0.515 -2.791 4.414 1.00 0.00 O ATOM 0 H SER A 103 -2.760 -3.547 5.224 1.00 0.00 H new ATOM 0 HA SER A 103 -0.990 -5.435 6.429 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.666 -4.405 4.898 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.823 -4.795 4.061 1.00 0.00 H new ATOM 0 HG SER A 103 -1.377 -2.663 3.966 1.00 0.00 H new ATOM 1550 N LYS A 104 0.661 -4.086 7.823 1.00 0.00 N ATOM 1551 CA LYS A 104 1.396 -3.392 8.874 1.00 0.00 C ATOM 1552 C LYS A 104 1.516 -1.905 8.563 1.00 0.00 C ATOM 1553 O LYS A 104 2.289 -1.504 7.691 1.00 0.00 O ATOM 1554 CB LYS A 104 2.789 -4.004 9.038 1.00 0.00 C ATOM 1555 CG LYS A 104 3.684 -3.230 9.990 1.00 0.00 C ATOM 1556 CD LYS A 104 3.289 -3.458 11.439 1.00 0.00 C ATOM 1557 CE LYS A 104 4.261 -2.783 12.396 1.00 0.00 C ATOM 1558 NZ LYS A 104 3.907 -3.040 13.818 1.00 0.00 N ATOM 0 H LYS A 104 1.039 -5.001 7.578 1.00 0.00 H new ATOM 0 HA LYS A 104 0.843 -3.506 9.806 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.687 -5.027 9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.271 -4.057 8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.721 -3.533 9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.627 -2.166 9.760 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.284 -3.072 11.608 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.259 -4.528 11.645 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.271 -3.144 12.202 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.266 -1.709 12.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.593 -2.564 14.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.953 -2.673 14.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.927 -4.064 14.001 1.00 0.00 H new ATOM 1572 N ILE A 105 0.750 -1.090 9.281 1.00 0.00 N ATOM 1573 CA ILE A 105 0.774 0.354 9.083 1.00 0.00 C ATOM 1574 C ILE A 105 2.181 0.839 8.749 1.00 0.00 C ATOM 1575 O ILE A 105 3.135 0.547 9.469 1.00 0.00 O ATOM 1576 CB ILE A 105 0.266 1.102 10.329 1.00 0.00 C ATOM 1577 CG1 ILE A 105 -1.192 0.735 10.612 1.00 0.00 C ATOM 1578 CG2 ILE A 105 0.413 2.604 10.142 1.00 0.00 C ATOM 1579 CD1 ILE A 105 -2.169 1.338 9.628 1.00 0.00 C ATOM 0 H ILE A 105 0.105 -1.406 10.005 1.00 0.00 H new ATOM 0 HA ILE A 105 0.110 0.569 8.246 1.00 0.00 H new ATOM 0 HB ILE A 105 0.869 0.802 11.186 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -1.295 -0.350 10.595 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.452 1.064 11.618 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.050 3.119 11.031 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.463 2.850 9.984 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.168 2.921 9.276 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.183 1.035 9.890 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.095 2.425 9.661 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.935 0.989 8.622 1.00 0.00 H new ATOM 1591 N GLU A 106 2.299 1.584 7.656 1.00 0.00 N ATOM 1592 CA GLU A 106 3.590 2.113 7.227 1.00 0.00 C ATOM 1593 C GLU A 106 3.746 3.572 7.644 1.00 0.00 C ATOM 1594 O GLU A 106 2.763 4.309 7.742 1.00 0.00 O ATOM 1595 CB GLU A 106 3.741 1.983 5.710 1.00 0.00 C ATOM 1596 CG GLU A 106 3.946 0.554 5.238 1.00 0.00 C ATOM 1597 CD GLU A 106 5.012 -0.175 6.032 1.00 0.00 C ATOM 1598 OE1 GLU A 106 4.694 -0.682 7.127 1.00 0.00 O ATOM 1599 OE2 GLU A 106 6.165 -0.239 5.556 1.00 0.00 O ATOM 0 H GLU A 106 1.518 1.836 7.051 1.00 0.00 H new ATOM 0 HA GLU A 106 4.373 1.530 7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.852 2.391 5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.587 2.589 5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.004 0.011 5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.224 0.560 4.184 1.00 0.00 H new ATOM 1606 N ILE A 107 4.986 3.982 7.888 1.00 0.00 N ATOM 1607 CA ILE A 107 5.269 5.354 8.293 1.00 0.00 C ATOM 1608 C ILE A 107 6.399 5.950 7.459 1.00 0.00 C ATOM 1609 O ILE A 107 7.546 5.514 7.547 1.00 0.00 O ATOM 1610 CB ILE A 107 5.650 5.434 9.783 1.00 0.00 C ATOM 1611 CG1 ILE A 107 4.569 4.776 10.643 1.00 0.00 C ATOM 1612 CG2 ILE A 107 5.858 6.882 10.200 1.00 0.00 C ATOM 1613 CD1 ILE A 107 5.092 4.216 11.948 1.00 0.00 C ATOM 0 H ILE A 107 5.810 3.385 7.813 1.00 0.00 H new ATOM 0 HA ILE A 107 4.356 5.927 8.128 1.00 0.00 H new ATOM 0 HB ILE A 107 6.586 4.896 9.933 1.00 0.00 H new ATOM 0 HG12 ILE A 107 3.791 5.509 10.857 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.102 3.972 10.073 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.127 6.922 11.256 1.00 0.00 H new ATOM 0 HG22 ILE A 107 6.659 7.321 9.605 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.937 7.443 10.039 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.271 3.765 12.505 1.00 0.00 H new ATOM 0 HD12 ILE A 107 5.849 3.460 11.742 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.533 5.019 12.538 1.00 0.00 H new ATOM 1625 N PHE A 108 6.065 6.951 6.651 1.00 0.00 N ATOM 1626 CA PHE A 108 7.051 7.610 5.801 1.00 0.00 C ATOM 1627 C PHE A 108 7.147 9.096 6.130 1.00 0.00 C ATOM 1628 O PHE A 108 6.135 9.753 6.380 1.00 0.00 O ATOM 1629 CB PHE A 108 6.689 7.423 4.326 1.00 0.00 C ATOM 1630 CG PHE A 108 5.442 8.153 3.918 1.00 0.00 C ATOM 1631 CD1 PHE A 108 5.418 9.538 3.871 1.00 0.00 C ATOM 1632 CD2 PHE A 108 4.294 7.455 3.581 1.00 0.00 C ATOM 1633 CE1 PHE A 108 4.271 10.213 3.496 1.00 0.00 C ATOM 1634 CE2 PHE A 108 3.145 8.124 3.205 1.00 0.00 C ATOM 1635 CZ PHE A 108 3.134 9.504 3.163 1.00 0.00 C ATOM 0 H PHE A 108 5.119 7.324 6.567 1.00 0.00 H new ATOM 0 HA PHE A 108 8.022 7.152 5.990 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.520 7.767 3.710 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.561 6.360 4.124 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.305 10.096 4.130 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.297 6.375 3.613 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.264 11.292 3.464 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.257 7.568 2.944 1.00 0.00 H new ATOM 0 HZ PHE A 108 2.237 10.029 2.870 1.00 0.00 H new ATOM 1645 N GLN A 109 8.369 9.619 6.127 1.00 0.00 N ATOM 1646 CA GLN A 109 8.596 11.029 6.425 1.00 0.00 C ATOM 1647 C GLN A 109 9.113 11.769 5.197 1.00 0.00 C ATOM 1648 O GLN A 109 10.192 11.467 4.685 1.00 0.00 O ATOM 1649 CB GLN A 109 9.590 11.173 7.579 1.00 0.00 C ATOM 1650 CG GLN A 109 9.837 12.615 7.992 1.00 0.00 C ATOM 1651 CD GLN A 109 10.978 12.751 8.981 1.00 0.00 C ATOM 1652 OE1 GLN A 109 10.867 12.341 10.136 1.00 0.00 O ATOM 1653 NE2 GLN A 109 12.085 13.330 8.531 1.00 0.00 N ATOM 0 H GLN A 109 9.216 9.089 5.922 1.00 0.00 H new ATOM 0 HA GLN A 109 7.644 11.471 6.717 1.00 0.00 H new ATOM 0 HB2 GLN A 109 9.219 10.616 8.439 1.00 0.00 H new ATOM 0 HB3 GLN A 109 10.538 10.719 7.290 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.056 13.210 7.106 1.00 0.00 H new ATOM 0 HG3 GLN A 109 8.928 13.023 8.433 1.00 0.00 H new ATOM 0 HE21 GLN A 109 12.134 13.655 7.566 1.00 0.00 H new ATOM 0 HE22 GLN A 109 12.886 13.449 9.151 1.00 0.00 H new ATOM 1662 N THR A 110 8.336 12.740 4.726 1.00 0.00 N ATOM 1663 CA THR A 110 8.714 13.523 3.557 1.00 0.00 C ATOM 1664 C THR A 110 10.087 14.161 3.742 1.00 0.00 C ATOM 1665 O THR A 110 10.554 14.334 4.869 1.00 0.00 O ATOM 1666 CB THR A 110 7.683 14.628 3.263 1.00 0.00 C ATOM 1667 OG1 THR A 110 7.513 15.460 4.416 1.00 0.00 O ATOM 1668 CG2 THR A 110 6.343 14.026 2.864 1.00 0.00 C ATOM 0 H THR A 110 7.440 13.003 5.137 1.00 0.00 H new ATOM 0 HA THR A 110 8.747 12.834 2.713 1.00 0.00 H new ATOM 0 HB THR A 110 8.055 15.229 2.434 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.644 15.911 4.369 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.631 14.826 2.661 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.470 13.417 1.969 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.968 13.403 3.676 1.00 0.00 H new ATOM 1676 N LEU A 111 10.727 14.508 2.632 1.00 0.00 N ATOM 1677 CA LEU A 111 12.047 15.129 2.672 1.00 0.00 C ATOM 1678 C LEU A 111 11.939 16.617 2.986 1.00 0.00 C ATOM 1679 O LEU A 111 11.015 17.304 2.551 1.00 0.00 O ATOM 1680 CB LEU A 111 12.767 14.929 1.337 1.00 0.00 C ATOM 1681 CG LEU A 111 12.900 13.483 0.857 1.00 0.00 C ATOM 1682 CD1 LEU A 111 13.275 13.444 -0.617 1.00 0.00 C ATOM 1683 CD2 LEU A 111 13.931 12.738 1.692 1.00 0.00 C ATOM 0 H LEU A 111 10.354 14.370 1.693 1.00 0.00 H new ATOM 0 HA LEU A 111 12.623 14.650 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.237 15.497 0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.766 15.357 1.418 1.00 0.00 H new ATOM 0 HG LEU A 111 11.937 12.988 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.366 12.408 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.502 13.942 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.227 13.955 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 111 14.013 11.711 1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.898 13.232 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.621 12.737 2.737 1.00 0.00 H new ATOM 1695 N PRO A 112 12.908 17.130 3.760 1.00 0.00 N ATOM 1696 CA PRO A 112 12.946 18.544 4.148 1.00 0.00 C ATOM 1697 C PRO A 112 13.264 19.459 2.971 1.00 0.00 C ATOM 1698 O PRO A 112 14.335 19.365 2.370 1.00 0.00 O ATOM 1699 CB PRO A 112 14.070 18.596 5.186 1.00 0.00 C ATOM 1700 CG PRO A 112 14.950 17.441 4.851 1.00 0.00 C ATOM 1701 CD PRO A 112 14.040 16.371 4.314 1.00 0.00 C ATOM 0 HA PRO A 112 11.983 18.890 4.524 1.00 0.00 H new ATOM 0 HB2 PRO A 112 14.616 19.538 5.132 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.677 18.513 6.199 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.700 17.723 4.112 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.487 17.091 5.732 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.533 15.771 3.550 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.719 15.686 5.099 1.00 0.00 H new ATOM 1709 N VAL A 113 12.329 20.346 2.647 1.00 0.00 N ATOM 1710 CA VAL A 113 12.512 21.281 1.543 1.00 0.00 C ATOM 1711 C VAL A 113 13.972 21.701 1.414 1.00 0.00 C ATOM 1712 O VAL A 113 14.642 21.967 2.411 1.00 0.00 O ATOM 1713 CB VAL A 113 11.641 22.539 1.722 1.00 0.00 C ATOM 1714 CG1 VAL A 113 11.889 23.526 0.592 1.00 0.00 C ATOM 1715 CG2 VAL A 113 10.170 22.161 1.799 1.00 0.00 C ATOM 0 H VAL A 113 11.437 20.437 3.133 1.00 0.00 H new ATOM 0 HA VAL A 113 12.205 20.762 0.635 1.00 0.00 H new ATOM 0 HB VAL A 113 11.918 23.021 2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 113 11.265 24.408 0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 113 12.938 23.820 0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.642 23.058 -0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.569 23.062 1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.876 21.655 0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.009 21.496 2.647 1.00 0.00 H new