USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 761 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 98 THR OG1 : rot -119:sc= 1.2 USER MOD Set 1.2: A 101 SER OG : rot -92:sc= 0.678 USER MOD Set 2.1: A 68 TYR OH : rot -114:sc= 0.775 USER MOD Set 2.2: A 71 ASN : amide:sc= 0.697 K(o=1.5,f=-0.3) USER MOD Set 3.1: A 54 SER OG : rot -64:sc= 1.38 USER MOD Set 3.2: A 63 HIS : no HD1:sc= 0.982 K(o=2.4,f=-5.8!) USER MOD Single : A 17 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.52) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0543 USER MOD Single : A 21 HIS : no HD1:sc= 0.177 K(o=0.18,f=-2.1!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc=-0.00688 X(o=-0.0069,f=0) USER MOD Single : A 44 SER OG : rot 171:sc= 0.617 USER MOD Single : A 51 TYR OH : rot -115:sc= 0.647 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.235 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.431 K(o=0.43,f=-5.2!) USER MOD Single : A 67 GLN : amide:sc= -0.977 K(o=-0.98,f=-3!) USER MOD Single : A 72 MET CE :methyl -163:sc= -0.115 (180deg=-0.598) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -60:sc= 0.059 USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 85 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.2) USER MOD Single : A 89 HIS : no HD1:sc= -0.0231 K(o=-0.023,f=-0.57) USER MOD Single : A 90 HIS : no HE2:sc= 0.879 K(o=0.88,f=-3.1!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -74:sc= 0.57 USER MOD Single : A 93 THR OG1 : rot -85:sc= 1.34 USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= -0.0202 (180deg=-0.274) USER MOD Single : A 95 GLN : amide:sc= -3.78! C(o=-3.8!,f=-3.9!) USER MOD Single : A 99 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0431) USER MOD Single : A 100 LYS NZ :NH3+ 169:sc= -0.0181 (180deg=-0.171) USER MOD Single : A 107 ASN : amide:sc= -1.05 X(o=-1,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 203 N PRO A 13 5.669 3.942 -14.251 1.00 64.20 N ATOM 204 CA PRO A 13 5.192 5.076 -13.428 1.00 70.31 C ATOM 205 C PRO A 13 4.053 4.667 -12.473 1.00 31.25 C ATOM 206 O PRO A 13 3.429 3.617 -12.647 1.00 75.10 O ATOM 207 CB PRO A 13 4.676 6.071 -14.484 1.00 10.05 C ATOM 208 CG PRO A 13 4.324 5.205 -15.645 1.00 64.43 C ATOM 209 CD PRO A 13 5.401 4.170 -15.686 1.00 45.22 C ATOM 0 HA PRO A 13 5.973 5.476 -12.781 1.00 70.31 H new ATOM 0 HB2 PRO A 13 3.811 6.626 -14.122 1.00 10.05 H new ATOM 0 HB3 PRO A 13 5.437 6.805 -14.748 1.00 10.05 H new ATOM 0 HG2 PRO A 13 3.342 4.750 -15.516 1.00 64.43 H new ATOM 0 HG3 PRO A 13 4.290 5.779 -16.571 1.00 64.43 H new ATOM 0 HD2 PRO A 13 5.073 3.260 -16.188 1.00 45.22 H new ATOM 0 HD3 PRO A 13 6.286 4.524 -16.214 1.00 45.22 H new ATOM 217 N LEU A 14 3.771 5.513 -11.483 1.00 34.13 N ATOM 218 CA LEU A 14 2.772 5.198 -10.448 1.00 33.33 C ATOM 219 C LEU A 14 1.380 4.909 -11.040 1.00 43.00 C ATOM 220 O LEU A 14 0.727 3.939 -10.654 1.00 51.31 O ATOM 221 CB LEU A 14 2.685 6.344 -9.429 1.00 25.20 C ATOM 222 CG LEU A 14 1.722 6.110 -8.250 1.00 33.14 C ATOM 223 CD1 LEU A 14 2.129 4.874 -7.452 1.00 32.32 C ATOM 224 CD2 LEU A 14 1.667 7.345 -7.354 1.00 21.52 C ATOM 0 H LEU A 14 4.217 6.423 -11.371 1.00 34.13 H new ATOM 0 HA LEU A 14 3.104 4.288 -9.949 1.00 33.33 H new ATOM 0 HB2 LEU A 14 3.682 6.529 -9.030 1.00 25.20 H new ATOM 0 HB3 LEU A 14 2.378 7.250 -9.952 1.00 25.20 H new ATOM 0 HG LEU A 14 0.724 5.934 -8.651 1.00 33.14 H new ATOM 0 HD11 LEU A 14 1.434 4.730 -6.625 1.00 32.32 H new ATOM 0 HD12 LEU A 14 2.107 3.999 -8.101 1.00 32.32 H new ATOM 0 HD13 LEU A 14 3.137 5.010 -7.059 1.00 32.32 H new ATOM 0 HD21 LEU A 14 0.982 7.163 -6.526 1.00 21.52 H new ATOM 0 HD22 LEU A 14 2.662 7.555 -6.963 1.00 21.52 H new ATOM 0 HD23 LEU A 14 1.317 8.199 -7.933 1.00 21.52 H new ATOM 236 N ALA A 15 0.929 5.741 -11.982 1.00 12.44 N ATOM 237 CA ALA A 15 -0.408 5.585 -12.579 1.00 40.24 C ATOM 238 C ALA A 15 -0.547 4.279 -13.378 1.00 23.14 C ATOM 239 O ALA A 15 -1.652 3.767 -13.566 1.00 44.32 O ATOM 240 CB ALA A 15 -0.739 6.778 -13.466 1.00 31.50 C ATOM 0 H ALA A 15 1.464 6.528 -12.349 1.00 12.44 H new ATOM 0 HA ALA A 15 -1.119 5.538 -11.754 1.00 40.24 H new ATOM 0 HB1 ALA A 15 -1.731 6.646 -13.899 1.00 31.50 H new ATOM 0 HB2 ALA A 15 -0.722 7.690 -12.870 1.00 31.50 H new ATOM 0 HB3 ALA A 15 -0.001 6.853 -14.265 1.00 31.50 H new ATOM 246 N GLU A 16 0.577 3.741 -13.850 1.00 24.35 N ATOM 247 CA GLU A 16 0.569 2.499 -14.636 1.00 74.30 C ATOM 248 C GLU A 16 0.770 1.263 -13.748 1.00 3.31 C ATOM 249 O GLU A 16 0.722 0.131 -14.231 1.00 51.31 O ATOM 250 CB GLU A 16 1.658 2.549 -15.717 1.00 22.11 C ATOM 251 CG GLU A 16 1.434 3.621 -16.779 1.00 71.24 C ATOM 252 CD GLU A 16 0.188 3.381 -17.617 1.00 24.52 C ATOM 253 OE1 GLU A 16 0.204 2.459 -18.457 1.00 50.42 O ATOM 254 OE2 GLU A 16 -0.806 4.125 -17.458 1.00 3.24 O ATOM 0 H GLU A 16 1.504 4.141 -13.705 1.00 24.35 H new ATOM 0 HA GLU A 16 -0.409 2.415 -15.109 1.00 74.30 H new ATOM 0 HB2 GLU A 16 2.622 2.723 -15.239 1.00 22.11 H new ATOM 0 HB3 GLU A 16 1.715 1.576 -16.205 1.00 22.11 H new ATOM 0 HG2 GLU A 16 1.356 4.594 -16.294 1.00 71.24 H new ATOM 0 HG3 GLU A 16 2.303 3.661 -17.435 1.00 71.24 H new ATOM 261 N GLN A 17 0.998 1.480 -12.457 1.00 44.44 N ATOM 262 CA GLN A 17 1.192 0.374 -11.515 1.00 53.35 C ATOM 263 C GLN A 17 -0.101 -0.436 -11.330 1.00 11.21 C ATOM 264 O GLN A 17 -1.140 0.103 -10.955 1.00 70.05 O ATOM 265 CB GLN A 17 1.691 0.899 -10.163 1.00 11.53 C ATOM 266 CG GLN A 17 3.110 1.462 -10.201 1.00 30.23 C ATOM 267 CD GLN A 17 4.152 0.414 -10.562 1.00 24.14 C ATOM 268 OE1 GLN A 17 3.993 -0.767 -10.277 1.00 73.01 O ATOM 269 NE2 GLN A 17 5.229 0.834 -11.190 1.00 31.05 N ATOM 0 H GLN A 17 1.054 2.407 -12.036 1.00 44.44 H new ATOM 0 HA GLN A 17 1.948 -0.290 -11.934 1.00 53.35 H new ATOM 0 HB2 GLN A 17 1.012 1.677 -9.814 1.00 11.53 H new ATOM 0 HB3 GLN A 17 1.651 0.090 -9.434 1.00 11.53 H new ATOM 0 HG2 GLN A 17 3.154 2.275 -10.925 1.00 30.23 H new ATOM 0 HG3 GLN A 17 3.353 1.888 -9.228 1.00 30.23 H new ATOM 0 HE21 GLN A 17 5.335 1.823 -11.415 1.00 31.05 H new ATOM 0 HE22 GLN A 17 5.958 0.170 -11.452 1.00 31.05 H new ATOM 278 N ASP A 18 -0.020 -1.736 -11.582 1.00 1.24 N ATOM 279 CA ASP A 18 -1.194 -2.610 -11.542 1.00 13.30 C ATOM 280 C ASP A 18 -1.769 -2.771 -10.120 1.00 70.32 C ATOM 281 O ASP A 18 -2.928 -3.150 -9.953 1.00 62.54 O ATOM 282 CB ASP A 18 -0.850 -3.978 -12.150 1.00 4.42 C ATOM 283 CG ASP A 18 0.417 -4.579 -11.559 1.00 2.11 C ATOM 284 OD1 ASP A 18 1.516 -4.045 -11.834 1.00 4.33 O ATOM 285 OD2 ASP A 18 0.330 -5.592 -10.839 1.00 32.33 O ATOM 0 H ASP A 18 0.850 -2.214 -11.818 1.00 1.24 H new ATOM 0 HA ASP A 18 -1.973 -2.135 -12.138 1.00 13.30 H new ATOM 0 HB2 ASP A 18 -1.682 -4.663 -11.988 1.00 4.42 H new ATOM 0 HB3 ASP A 18 -0.729 -3.872 -13.228 1.00 4.42 H new ATOM 290 N TRP A 19 -0.961 -2.482 -9.105 1.00 30.01 N ATOM 291 CA TRP A 19 -1.432 -2.496 -7.712 1.00 20.24 C ATOM 292 C TRP A 19 -1.992 -1.127 -7.288 1.00 44.34 C ATOM 293 O TRP A 19 -2.455 -0.953 -6.158 1.00 4.14 O ATOM 294 CB TRP A 19 -0.303 -2.936 -6.764 1.00 65.14 C ATOM 295 CG TRP A 19 1.032 -2.299 -7.048 1.00 51.00 C ATOM 296 CD1 TRP A 19 2.074 -2.860 -7.729 1.00 62.44 C ATOM 297 CD2 TRP A 19 1.472 -0.989 -6.658 1.00 15.33 C ATOM 298 NE1 TRP A 19 3.129 -1.985 -7.784 1.00 70.20 N ATOM 299 CE2 TRP A 19 2.784 -0.830 -7.138 1.00 11.02 C ATOM 300 CE3 TRP A 19 0.883 0.063 -5.953 1.00 34.23 C ATOM 301 CZ2 TRP A 19 3.518 0.334 -6.935 1.00 14.15 C ATOM 302 CZ3 TRP A 19 1.612 1.222 -5.754 1.00 51.44 C ATOM 303 CH2 TRP A 19 2.916 1.350 -6.244 1.00 0.11 C ATOM 0 H TRP A 19 0.023 -2.235 -9.214 1.00 30.01 H new ATOM 0 HA TRP A 19 -2.245 -3.219 -7.647 1.00 20.24 H new ATOM 0 HB2 TRP A 19 -0.593 -2.702 -5.740 1.00 65.14 H new ATOM 0 HB3 TRP A 19 -0.195 -4.019 -6.825 1.00 65.14 H new ATOM 0 HD1 TRP A 19 2.068 -3.849 -8.162 1.00 62.44 H new ATOM 0 HE1 TRP A 19 4.026 -2.167 -8.234 1.00 70.20 H new ATOM 0 HE3 TRP A 19 -0.123 -0.027 -5.570 1.00 34.23 H new ATOM 0 HZ2 TRP A 19 4.526 0.432 -7.309 1.00 14.15 H new ATOM 0 HZ3 TRP A 19 1.166 2.042 -5.211 1.00 51.44 H new ATOM 0 HH2 TRP A 19 3.458 2.268 -6.074 1.00 0.11 H new ATOM 314 N TYR A 20 -1.958 -0.163 -8.204 1.00 61.34 N ATOM 315 CA TYR A 20 -2.453 1.191 -7.935 1.00 24.04 C ATOM 316 C TYR A 20 -3.849 1.406 -8.534 1.00 70.24 C ATOM 317 O TYR A 20 -4.094 1.122 -9.705 1.00 1.35 O ATOM 318 CB TYR A 20 -1.471 2.233 -8.494 1.00 54.42 C ATOM 319 CG TYR A 20 -1.933 3.671 -8.319 1.00 35.32 C ATOM 320 CD1 TYR A 20 -1.893 4.290 -7.073 1.00 30.33 C ATOM 321 CD2 TYR A 20 -2.421 4.405 -9.398 1.00 51.14 C ATOM 322 CE1 TYR A 20 -2.323 5.593 -6.908 1.00 35.14 C ATOM 323 CE2 TYR A 20 -2.856 5.707 -9.239 1.00 52.55 C ATOM 324 CZ TYR A 20 -2.804 6.297 -7.993 1.00 54.40 C ATOM 325 OH TYR A 20 -3.246 7.592 -7.831 1.00 13.24 O ATOM 0 H TYR A 20 -1.591 -0.293 -9.147 1.00 61.34 H new ATOM 0 HA TYR A 20 -2.530 1.312 -6.854 1.00 24.04 H new ATOM 0 HB2 TYR A 20 -0.506 2.109 -8.002 1.00 54.42 H new ATOM 0 HB3 TYR A 20 -1.315 2.038 -9.555 1.00 54.42 H new ATOM 0 HD1 TYR A 20 -1.519 3.743 -6.220 1.00 30.33 H new ATOM 0 HD2 TYR A 20 -2.460 3.948 -10.376 1.00 51.14 H new ATOM 0 HE1 TYR A 20 -2.283 6.058 -5.934 1.00 35.14 H new ATOM 0 HE2 TYR A 20 -3.235 6.260 -10.086 1.00 52.55 H new ATOM 0 HH TYR A 20 -3.551 7.944 -8.693 1.00 13.24 H new ATOM 335 N HIS A 21 -4.769 1.897 -7.708 1.00 10.54 N ATOM 336 CA HIS A 21 -6.120 2.247 -8.158 1.00 33.23 C ATOM 337 C HIS A 21 -6.428 3.714 -7.801 1.00 12.54 C ATOM 338 O HIS A 21 -6.775 4.036 -6.662 1.00 14.20 O ATOM 339 CB HIS A 21 -7.155 1.303 -7.534 1.00 20.23 C ATOM 340 CG HIS A 21 -7.018 -0.128 -7.977 1.00 73.03 C ATOM 341 ND1 HIS A 21 -7.888 -0.732 -8.856 1.00 44.43 N ATOM 342 CD2 HIS A 21 -6.108 -1.081 -7.645 1.00 73.43 C ATOM 343 CE1 HIS A 21 -7.529 -1.984 -9.044 1.00 54.01 C ATOM 344 NE2 HIS A 21 -6.451 -2.224 -8.324 1.00 22.03 N ATOM 0 H HIS A 21 -4.605 2.064 -6.715 1.00 10.54 H new ATOM 0 HA HIS A 21 -6.173 2.135 -9.241 1.00 33.23 H new ATOM 0 HB2 HIS A 21 -7.065 1.347 -6.449 1.00 20.23 H new ATOM 0 HB3 HIS A 21 -8.154 1.657 -7.786 1.00 20.23 H new ATOM 0 HD2 HIS A 21 -5.271 -0.962 -6.973 1.00 73.43 H new ATOM 0 HE1 HIS A 21 -8.033 -2.696 -9.681 1.00 54.01 H new ATOM 0 HE2 HIS A 21 -5.953 -3.113 -8.279 1.00 22.03 H new ATOM 353 N GLY A 22 -6.282 4.592 -8.787 1.00 25.23 N ATOM 354 CA GLY A 22 -6.334 6.036 -8.554 1.00 64.42 C ATOM 355 C GLY A 22 -7.698 6.597 -8.141 1.00 1.32 C ATOM 356 O GLY A 22 -8.716 6.340 -8.791 1.00 12.13 O ATOM 0 H GLY A 22 -6.126 4.330 -9.760 1.00 25.23 H new ATOM 0 HA2 GLY A 22 -5.610 6.286 -7.779 1.00 64.42 H new ATOM 0 HA3 GLY A 22 -6.014 6.543 -9.464 1.00 64.42 H new ATOM 360 N ALA A 23 -7.698 7.367 -7.045 1.00 31.52 N ATOM 361 CA ALA A 23 -8.850 8.183 -6.620 1.00 4.54 C ATOM 362 C ALA A 23 -10.159 7.393 -6.428 1.00 72.43 C ATOM 363 O ALA A 23 -11.249 7.955 -6.553 1.00 62.41 O ATOM 364 CB ALA A 23 -9.056 9.329 -7.607 1.00 31.04 C ATOM 0 H ALA A 23 -6.894 7.444 -6.422 1.00 31.52 H new ATOM 0 HA ALA A 23 -8.602 8.568 -5.631 1.00 4.54 H new ATOM 0 HB1 ALA A 23 -9.908 9.932 -7.292 1.00 31.04 H new ATOM 0 HB2 ALA A 23 -8.161 9.951 -7.634 1.00 31.04 H new ATOM 0 HB3 ALA A 23 -9.246 8.924 -8.601 1.00 31.04 H new ATOM 370 N ILE A 24 -10.064 6.104 -6.102 1.00 61.12 N ATOM 371 CA ILE A 24 -11.260 5.309 -5.793 1.00 21.31 C ATOM 372 C ILE A 24 -11.707 5.534 -4.337 1.00 75.21 C ATOM 373 O ILE A 24 -10.871 5.704 -3.449 1.00 1.13 O ATOM 374 CB ILE A 24 -11.024 3.791 -6.022 1.00 44.40 C ATOM 375 CG1 ILE A 24 -9.963 3.244 -5.052 1.00 1.21 C ATOM 376 CG2 ILE A 24 -10.617 3.529 -7.472 1.00 44.42 C ATOM 377 CD1 ILE A 24 -9.817 1.737 -5.100 1.00 51.15 C ATOM 0 H ILE A 24 -9.185 5.590 -6.044 1.00 61.12 H new ATOM 0 HA ILE A 24 -12.042 5.645 -6.474 1.00 21.31 H new ATOM 0 HB ILE A 24 -11.959 3.267 -5.824 1.00 44.40 H new ATOM 0 HG12 ILE A 24 -9.001 3.701 -5.283 1.00 1.21 H new ATOM 0 HG13 ILE A 24 -10.222 3.543 -4.037 1.00 1.21 H new ATOM 0 HG21 ILE A 24 -10.455 2.461 -7.617 1.00 44.42 H new ATOM 0 HG22 ILE A 24 -11.408 3.870 -8.139 1.00 44.42 H new ATOM 0 HG23 ILE A 24 -9.697 4.069 -7.695 1.00 44.42 H new ATOM 0 HD11 ILE A 24 -9.052 1.423 -4.390 1.00 51.15 H new ATOM 0 HD12 ILE A 24 -10.767 1.271 -4.839 1.00 51.15 H new ATOM 0 HD13 ILE A 24 -9.527 1.431 -6.105 1.00 51.15 H new ATOM 389 N PRO A 25 -13.032 5.551 -4.072 1.00 61.13 N ATOM 390 CA PRO A 25 -13.574 5.740 -2.707 1.00 54.05 C ATOM 391 C PRO A 25 -13.061 4.694 -1.697 1.00 53.44 C ATOM 392 O PRO A 25 -12.778 3.548 -2.063 1.00 14.35 O ATOM 393 CB PRO A 25 -15.091 5.589 -2.904 1.00 13.13 C ATOM 394 CG PRO A 25 -15.329 5.887 -4.346 1.00 43.51 C ATOM 395 CD PRO A 25 -14.104 5.399 -5.075 1.00 32.12 C ATOM 0 HA PRO A 25 -13.268 6.699 -2.288 1.00 54.05 H new ATOM 0 HB2 PRO A 25 -15.423 4.582 -2.650 1.00 13.13 H new ATOM 0 HB3 PRO A 25 -15.642 6.278 -2.263 1.00 13.13 H new ATOM 0 HG2 PRO A 25 -16.225 5.382 -4.707 1.00 43.51 H new ATOM 0 HG3 PRO A 25 -15.479 6.955 -4.505 1.00 43.51 H new ATOM 0 HD2 PRO A 25 -14.212 4.363 -5.395 1.00 32.12 H new ATOM 0 HD3 PRO A 25 -13.906 5.990 -5.969 1.00 32.12 H new ATOM 403 N ARG A 26 -12.967 5.084 -0.419 1.00 14.43 N ATOM 404 CA ARG A 26 -12.470 4.179 0.631 1.00 52.13 C ATOM 405 C ARG A 26 -13.324 2.908 0.721 1.00 12.04 C ATOM 406 O ARG A 26 -12.796 1.812 0.910 1.00 61.44 O ATOM 407 CB ARG A 26 -12.457 4.876 2.000 1.00 45.23 C ATOM 408 CG ARG A 26 -11.677 4.106 3.065 1.00 21.04 C ATOM 409 CD ARG A 26 -11.909 4.657 4.470 1.00 42.14 C ATOM 410 NE ARG A 26 -13.232 4.305 4.988 1.00 21.32 N ATOM 411 CZ ARG A 26 -13.619 4.511 6.219 1.00 60.05 C ATOM 412 NH1 ARG A 26 -12.844 5.109 7.068 1.00 10.35 N ATOM 413 NH2 ARG A 26 -14.797 4.134 6.592 1.00 24.12 N ATOM 0 H ARG A 26 -13.226 6.013 -0.087 1.00 14.43 H new ATOM 0 HA ARG A 26 -11.451 3.903 0.359 1.00 52.13 H new ATOM 0 HB2 ARG A 26 -12.023 5.870 1.890 1.00 45.23 H new ATOM 0 HB3 ARG A 26 -13.484 5.013 2.340 1.00 45.23 H new ATOM 0 HG2 ARG A 26 -11.969 3.056 3.037 1.00 21.04 H new ATOM 0 HG3 ARG A 26 -10.613 4.147 2.833 1.00 21.04 H new ATOM 0 HD2 ARG A 26 -11.143 4.270 5.142 1.00 42.14 H new ATOM 0 HD3 ARG A 26 -11.803 5.742 4.456 1.00 42.14 H new ATOM 0 HE ARG A 26 -13.895 3.871 4.346 1.00 21.32 H new ATOM 0 HH11 ARG A 26 -11.919 5.426 6.779 1.00 10.35 H new ATOM 0 HH12 ARG A 26 -13.159 5.263 8.026 1.00 10.35 H new ATOM 0 HH21 ARG A 26 -15.421 3.678 5.927 1.00 24.12 H new ATOM 0 HH22 ARG A 26 -15.103 4.293 7.552 1.00 24.12 H new ATOM 427 N ILE A 27 -14.644 3.068 0.584 1.00 63.25 N ATOM 428 CA ILE A 27 -15.573 1.930 0.605 1.00 24.21 C ATOM 429 C ILE A 27 -15.147 0.841 -0.393 1.00 55.23 C ATOM 430 O ILE A 27 -14.916 -0.300 -0.013 1.00 14.23 O ATOM 431 CB ILE A 27 -17.026 2.377 0.294 1.00 11.54 C ATOM 432 CG1 ILE A 27 -17.517 3.386 1.350 1.00 11.32 C ATOM 433 CG2 ILE A 27 -17.964 1.169 0.222 1.00 64.20 C ATOM 434 CD1 ILE A 27 -18.938 3.866 1.127 1.00 62.03 C ATOM 0 H ILE A 27 -15.095 3.974 0.457 1.00 63.25 H new ATOM 0 HA ILE A 27 -15.542 1.517 1.613 1.00 24.21 H new ATOM 0 HB ILE A 27 -17.032 2.867 -0.680 1.00 11.54 H new ATOM 0 HG12 ILE A 27 -17.450 2.927 2.336 1.00 11.32 H new ATOM 0 HG13 ILE A 27 -16.849 4.247 1.353 1.00 11.32 H new ATOM 0 HG21 ILE A 27 -18.977 1.507 0.003 1.00 64.20 H new ATOM 0 HG22 ILE A 27 -17.628 0.494 -0.566 1.00 64.20 H new ATOM 0 HG23 ILE A 27 -17.955 0.644 1.177 1.00 64.20 H new ATOM 0 HD11 ILE A 27 -19.210 4.573 1.911 1.00 62.03 H new ATOM 0 HD12 ILE A 27 -19.008 4.356 0.156 1.00 62.03 H new ATOM 0 HD13 ILE A 27 -19.618 3.015 1.154 1.00 62.03 H new ATOM 446 N GLU A 28 -15.016 1.207 -1.665 1.00 54.52 N ATOM 447 CA GLU A 28 -14.566 0.263 -2.695 1.00 55.01 C ATOM 448 C GLU A 28 -13.229 -0.394 -2.319 1.00 62.22 C ATOM 449 O GLU A 28 -13.043 -1.594 -2.521 1.00 5.12 O ATOM 450 CB GLU A 28 -14.450 0.973 -4.051 1.00 73.34 C ATOM 451 CG GLU A 28 -15.750 0.978 -4.850 1.00 5.21 C ATOM 452 CD GLU A 28 -16.096 -0.399 -5.404 1.00 32.43 C ATOM 453 OE1 GLU A 28 -15.528 -0.780 -6.448 1.00 20.13 O ATOM 454 OE2 GLU A 28 -16.924 -1.112 -4.794 1.00 24.14 O ATOM 0 H GLU A 28 -15.213 2.146 -2.011 1.00 54.52 H new ATOM 0 HA GLU A 28 -15.312 -0.528 -2.769 1.00 55.01 H new ATOM 0 HB2 GLU A 28 -14.130 2.002 -3.887 1.00 73.34 H new ATOM 0 HB3 GLU A 28 -13.672 0.488 -4.641 1.00 73.34 H new ATOM 0 HG2 GLU A 28 -16.564 1.325 -4.213 1.00 5.21 H new ATOM 0 HG3 GLU A 28 -15.665 1.687 -5.673 1.00 5.21 H new ATOM 461 N ALA A 29 -12.322 0.394 -1.745 1.00 44.44 N ATOM 462 CA ALA A 29 -10.993 -0.096 -1.368 1.00 64.23 C ATOM 463 C ALA A 29 -11.055 -1.161 -0.257 1.00 35.54 C ATOM 464 O ALA A 29 -10.273 -2.109 -0.256 1.00 11.02 O ATOM 465 CB ALA A 29 -10.113 1.071 -0.931 1.00 74.22 C ATOM 0 H ALA A 29 -12.482 1.378 -1.529 1.00 44.44 H new ATOM 0 HA ALA A 29 -10.560 -0.574 -2.247 1.00 64.23 H new ATOM 0 HB1 ALA A 29 -9.127 0.699 -0.652 1.00 74.22 H new ATOM 0 HB2 ALA A 29 -10.014 1.780 -1.753 1.00 74.22 H new ATOM 0 HB3 ALA A 29 -10.568 1.569 -0.075 1.00 74.22 H new ATOM 471 N GLN A 30 -11.985 -1.003 0.685 1.00 4.52 N ATOM 472 CA GLN A 30 -12.115 -1.944 1.809 1.00 22.34 C ATOM 473 C GLN A 30 -13.010 -3.148 1.458 1.00 31.15 C ATOM 474 O GLN A 30 -12.741 -4.275 1.882 1.00 31.54 O ATOM 475 CB GLN A 30 -12.651 -1.220 3.058 1.00 52.25 C ATOM 476 CG GLN A 30 -13.980 -0.507 2.841 1.00 55.34 C ATOM 477 CD GLN A 30 -14.434 0.294 4.052 1.00 4.12 C ATOM 478 OE1 GLN A 30 -14.108 1.470 4.195 1.00 1.11 O ATOM 479 NE2 GLN A 30 -15.192 -0.333 4.929 1.00 72.54 N ATOM 0 H GLN A 30 -12.659 -0.237 0.697 1.00 4.52 H new ATOM 0 HA GLN A 30 -11.119 -2.333 2.023 1.00 22.34 H new ATOM 0 HB2 GLN A 30 -12.767 -1.945 3.863 1.00 52.25 H new ATOM 0 HB3 GLN A 30 -11.910 -0.492 3.389 1.00 52.25 H new ATOM 0 HG2 GLN A 30 -13.891 0.161 1.984 1.00 55.34 H new ATOM 0 HG3 GLN A 30 -14.744 -1.244 2.593 1.00 55.34 H new ATOM 0 HE21 GLN A 30 -15.444 -1.310 4.779 1.00 72.54 H new ATOM 0 HE22 GLN A 30 -15.527 0.159 5.758 1.00 72.54 H new ATOM 488 N GLU A 31 -14.061 -2.909 0.674 1.00 73.55 N ATOM 489 CA GLU A 31 -15.002 -3.972 0.288 1.00 3.54 C ATOM 490 C GLU A 31 -14.341 -5.029 -0.615 1.00 22.22 C ATOM 491 O GLU A 31 -14.631 -6.224 -0.495 1.00 31.20 O ATOM 492 CB GLU A 31 -16.230 -3.383 -0.425 1.00 15.45 C ATOM 493 CG GLU A 31 -17.010 -2.362 0.402 1.00 44.55 C ATOM 494 CD GLU A 31 -17.581 -2.934 1.693 1.00 52.53 C ATOM 495 OE1 GLU A 31 -18.596 -3.660 1.633 1.00 44.13 O ATOM 496 OE2 GLU A 31 -17.029 -2.641 2.777 1.00 73.44 O ATOM 0 H GLU A 31 -14.286 -1.991 0.291 1.00 73.55 H new ATOM 0 HA GLU A 31 -15.318 -4.462 1.209 1.00 3.54 H new ATOM 0 HB2 GLU A 31 -15.905 -2.910 -1.352 1.00 15.45 H new ATOM 0 HB3 GLU A 31 -16.900 -4.197 -0.701 1.00 15.45 H new ATOM 0 HG2 GLU A 31 -16.355 -1.525 0.643 1.00 44.55 H new ATOM 0 HG3 GLU A 31 -17.826 -1.964 -0.202 1.00 44.55 H new ATOM 503 N LEU A 32 -13.456 -4.595 -1.518 1.00 33.11 N ATOM 504 CA LEU A 32 -12.783 -5.522 -2.449 1.00 50.44 C ATOM 505 C LEU A 32 -11.804 -6.448 -1.710 1.00 62.54 C ATOM 506 O LEU A 32 -11.476 -7.537 -2.187 1.00 73.44 O ATOM 507 CB LEU A 32 -12.072 -4.739 -3.578 1.00 11.11 C ATOM 508 CG LEU A 32 -10.838 -3.899 -3.179 1.00 61.23 C ATOM 509 CD1 LEU A 32 -9.573 -4.753 -3.127 1.00 30.51 C ATOM 510 CD2 LEU A 32 -10.646 -2.729 -4.142 1.00 12.43 C ATOM 0 H LEU A 32 -13.187 -3.617 -1.628 1.00 33.11 H new ATOM 0 HA LEU A 32 -13.545 -6.155 -2.903 1.00 50.44 H new ATOM 0 HB2 LEU A 32 -11.764 -5.452 -4.343 1.00 11.11 H new ATOM 0 HB3 LEU A 32 -12.801 -4.073 -4.039 1.00 11.11 H new ATOM 0 HG LEU A 32 -11.020 -3.505 -2.179 1.00 61.23 H new ATOM 0 HD11 LEU A 32 -8.725 -4.130 -2.843 1.00 30.51 H new ATOM 0 HD12 LEU A 32 -9.701 -5.548 -2.393 1.00 30.51 H new ATOM 0 HD13 LEU A 32 -9.389 -5.191 -4.108 1.00 30.51 H new ATOM 0 HD21 LEU A 32 -9.772 -2.151 -3.842 1.00 12.43 H new ATOM 0 HD22 LEU A 32 -10.500 -3.110 -5.153 1.00 12.43 H new ATOM 0 HD23 LEU A 32 -11.529 -2.090 -4.119 1.00 12.43 H new ATOM 522 N LEU A 33 -11.340 -6.003 -0.547 1.00 43.03 N ATOM 523 CA LEU A 33 -10.456 -6.804 0.300 1.00 54.32 C ATOM 524 C LEU A 33 -11.242 -7.949 0.957 1.00 64.45 C ATOM 525 O LEU A 33 -12.031 -7.719 1.876 1.00 54.53 O ATOM 526 CB LEU A 33 -9.817 -5.912 1.374 1.00 64.41 C ATOM 527 CG LEU A 33 -8.968 -4.747 0.837 1.00 43.43 C ATOM 528 CD1 LEU A 33 -8.420 -3.904 1.982 1.00 14.23 C ATOM 529 CD2 LEU A 33 -7.832 -5.262 -0.041 1.00 21.12 C ATOM 0 H LEU A 33 -11.563 -5.084 -0.165 1.00 43.03 H new ATOM 0 HA LEU A 33 -9.668 -7.236 -0.317 1.00 54.32 H new ATOM 0 HB2 LEU A 33 -10.608 -5.504 2.003 1.00 64.41 H new ATOM 0 HB3 LEU A 33 -9.190 -6.533 2.013 1.00 64.41 H new ATOM 0 HG LEU A 33 -9.612 -4.115 0.225 1.00 43.43 H new ATOM 0 HD11 LEU A 33 -7.823 -3.086 1.578 1.00 14.23 H new ATOM 0 HD12 LEU A 33 -9.248 -3.497 2.563 1.00 14.23 H new ATOM 0 HD13 LEU A 33 -7.797 -4.525 2.625 1.00 14.23 H new ATOM 0 HD21 LEU A 33 -7.246 -4.420 -0.409 1.00 21.12 H new ATOM 0 HD22 LEU A 33 -7.191 -5.922 0.543 1.00 21.12 H new ATOM 0 HD23 LEU A 33 -8.246 -5.812 -0.886 1.00 21.12 H new ATOM 541 N LYS A 34 -11.030 -9.178 0.485 1.00 34.43 N ATOM 542 CA LYS A 34 -11.853 -10.319 0.915 1.00 12.14 C ATOM 543 C LYS A 34 -11.034 -11.431 1.599 1.00 4.52 C ATOM 544 O LYS A 34 -11.532 -12.097 2.511 1.00 32.14 O ATOM 545 CB LYS A 34 -12.617 -10.885 -0.291 1.00 20.54 C ATOM 546 CG LYS A 34 -11.719 -11.391 -1.421 1.00 71.43 C ATOM 547 CD LYS A 34 -12.499 -11.615 -2.716 1.00 34.11 C ATOM 548 CE LYS A 34 -13.043 -10.305 -3.283 1.00 40.10 C ATOM 549 NZ LYS A 34 -13.789 -10.508 -4.551 1.00 71.20 N ATOM 0 H LYS A 34 -10.302 -9.412 -0.190 1.00 34.43 H new ATOM 0 HA LYS A 34 -12.553 -9.948 1.663 1.00 12.14 H new ATOM 0 HB2 LYS A 34 -13.252 -11.704 0.047 1.00 20.54 H new ATOM 0 HB3 LYS A 34 -13.276 -10.111 -0.685 1.00 20.54 H new ATOM 0 HG2 LYS A 34 -10.920 -10.671 -1.599 1.00 71.43 H new ATOM 0 HG3 LYS A 34 -11.245 -12.324 -1.117 1.00 71.43 H new ATOM 0 HD2 LYS A 34 -11.851 -12.089 -3.453 1.00 34.11 H new ATOM 0 HD3 LYS A 34 -13.325 -12.301 -2.529 1.00 34.11 H new ATOM 0 HE2 LYS A 34 -13.699 -9.838 -2.548 1.00 40.10 H new ATOM 0 HE3 LYS A 34 -12.217 -9.615 -3.456 1.00 40.10 H new ATOM 0 HZ1 LYS A 34 -14.139 -9.592 -4.898 1.00 71.20 H new ATOM 0 HZ2 LYS A 34 -13.157 -10.929 -5.262 1.00 71.20 H new ATOM 0 HZ3 LYS A 34 -14.594 -11.145 -4.382 1.00 71.20 H new ATOM 563 N LYS A 35 -9.794 -11.641 1.162 1.00 31.10 N ATOM 564 CA LYS A 35 -8.934 -12.689 1.737 1.00 3.32 C ATOM 565 C LYS A 35 -7.602 -12.118 2.244 1.00 3.33 C ATOM 566 O LYS A 35 -7.135 -11.079 1.773 1.00 74.21 O ATOM 567 CB LYS A 35 -8.660 -13.790 0.702 1.00 3.21 C ATOM 568 CG LYS A 35 -8.047 -13.270 -0.597 1.00 23.34 C ATOM 569 CD LYS A 35 -7.543 -14.395 -1.495 1.00 73.34 C ATOM 570 CE LYS A 35 -6.360 -15.125 -0.871 1.00 43.24 C ATOM 571 NZ LYS A 35 -5.869 -16.222 -1.741 1.00 3.34 N ATOM 0 H LYS A 35 -9.357 -11.104 0.413 1.00 31.10 H new ATOM 0 HA LYS A 35 -9.469 -13.113 2.587 1.00 3.32 H new ATOM 0 HB2 LYS A 35 -7.990 -14.530 1.140 1.00 3.21 H new ATOM 0 HB3 LYS A 35 -9.594 -14.303 0.473 1.00 3.21 H new ATOM 0 HG2 LYS A 35 -8.791 -12.684 -1.137 1.00 23.34 H new ATOM 0 HG3 LYS A 35 -7.221 -12.599 -0.362 1.00 23.34 H new ATOM 0 HD2 LYS A 35 -8.351 -15.103 -1.680 1.00 73.34 H new ATOM 0 HD3 LYS A 35 -7.250 -13.986 -2.462 1.00 73.34 H new ATOM 0 HE2 LYS A 35 -5.552 -14.417 -0.687 1.00 43.24 H new ATOM 0 HE3 LYS A 35 -6.653 -15.532 0.097 1.00 43.24 H new ATOM 0 HZ1 LYS A 35 -5.064 -16.695 -1.283 1.00 3.34 H new ATOM 0 HZ2 LYS A 35 -6.633 -16.911 -1.896 1.00 3.34 H new ATOM 0 HZ3 LYS A 35 -5.565 -15.830 -2.655 1.00 3.34 H new ATOM 585 N GLN A 36 -6.996 -12.804 3.216 1.00 45.51 N ATOM 586 CA GLN A 36 -5.699 -12.390 3.766 1.00 13.33 C ATOM 587 C GLN A 36 -4.631 -12.292 2.669 1.00 64.51 C ATOM 588 O GLN A 36 -4.200 -13.305 2.110 1.00 63.22 O ATOM 589 CB GLN A 36 -5.232 -13.368 4.853 1.00 3.15 C ATOM 590 CG GLN A 36 -3.903 -12.980 5.493 1.00 34.42 C ATOM 591 CD GLN A 36 -3.427 -13.988 6.521 1.00 43.04 C ATOM 592 OE1 GLN A 36 -2.714 -14.931 6.199 1.00 11.21 O ATOM 593 NE2 GLN A 36 -3.828 -13.809 7.762 1.00 54.14 N ATOM 0 H GLN A 36 -7.381 -13.648 3.639 1.00 45.51 H new ATOM 0 HA GLN A 36 -5.834 -11.402 4.207 1.00 13.33 H new ATOM 0 HB2 GLN A 36 -5.996 -13.428 5.629 1.00 3.15 H new ATOM 0 HB3 GLN A 36 -5.140 -14.364 4.419 1.00 3.15 H new ATOM 0 HG2 GLN A 36 -3.147 -12.878 4.715 1.00 34.42 H new ATOM 0 HG3 GLN A 36 -4.005 -12.004 5.968 1.00 34.42 H new ATOM 0 HE21 GLN A 36 -4.421 -13.013 7.996 1.00 54.14 H new ATOM 0 HE22 GLN A 36 -3.545 -14.466 8.489 1.00 54.14 H new ATOM 602 N GLY A 37 -4.211 -11.068 2.368 1.00 15.11 N ATOM 603 CA GLY A 37 -3.209 -10.849 1.334 1.00 61.51 C ATOM 604 C GLY A 37 -3.560 -9.698 0.403 1.00 33.51 C ATOM 605 O GLY A 37 -2.695 -8.899 0.048 1.00 20.41 O ATOM 0 H GLY A 37 -4.547 -10.219 2.822 1.00 15.11 H new ATOM 0 HA2 GLY A 37 -2.247 -10.648 1.805 1.00 61.51 H new ATOM 0 HA3 GLY A 37 -3.093 -11.761 0.748 1.00 61.51 H new ATOM 609 N ASP A 38 -4.837 -9.608 0.029 1.00 22.42 N ATOM 610 CA ASP A 38 -5.312 -8.574 -0.897 1.00 23.33 C ATOM 611 C ASP A 38 -4.834 -7.177 -0.477 1.00 43.11 C ATOM 612 O ASP A 38 -5.130 -6.718 0.629 1.00 32.32 O ATOM 613 CB ASP A 38 -6.849 -8.575 -0.954 1.00 54.45 C ATOM 614 CG ASP A 38 -7.446 -9.891 -1.414 1.00 61.50 C ATOM 615 OD1 ASP A 38 -6.730 -10.701 -2.041 1.00 31.45 O ATOM 616 OD2 ASP A 38 -8.654 -10.115 -1.159 1.00 42.31 O ATOM 0 H ASP A 38 -5.567 -10.242 0.355 1.00 22.42 H new ATOM 0 HA ASP A 38 -4.900 -8.806 -1.879 1.00 23.33 H new ATOM 0 HB2 ASP A 38 -7.240 -8.336 0.035 1.00 54.45 H new ATOM 0 HB3 ASP A 38 -7.178 -7.783 -1.627 1.00 54.45 H new ATOM 621 N PHE A 39 -4.091 -6.502 -1.356 1.00 4.43 N ATOM 622 CA PHE A 39 -3.651 -5.129 -1.087 1.00 43.43 C ATOM 623 C PHE A 39 -3.681 -4.260 -2.354 1.00 33.32 C ATOM 624 O PHE A 39 -3.503 -4.752 -3.473 1.00 23.24 O ATOM 625 CB PHE A 39 -2.241 -5.110 -0.471 1.00 51.33 C ATOM 626 CG PHE A 39 -1.119 -5.427 -1.435 1.00 62.03 C ATOM 627 CD1 PHE A 39 -0.754 -6.737 -1.698 1.00 20.22 C ATOM 628 CD2 PHE A 39 -0.419 -4.403 -2.066 1.00 63.22 C ATOM 629 CE1 PHE A 39 0.282 -7.021 -2.569 1.00 0.14 C ATOM 630 CE2 PHE A 39 0.614 -4.684 -2.938 1.00 64.33 C ATOM 631 CZ PHE A 39 0.966 -5.995 -3.190 1.00 61.34 C ATOM 0 H PHE A 39 -3.783 -6.878 -2.253 1.00 4.43 H new ATOM 0 HA PHE A 39 -4.355 -4.706 -0.370 1.00 43.43 H new ATOM 0 HB2 PHE A 39 -2.062 -4.125 -0.040 1.00 51.33 H new ATOM 0 HB3 PHE A 39 -2.209 -5.827 0.349 1.00 51.33 H new ATOM 0 HD1 PHE A 39 -1.284 -7.546 -1.217 1.00 20.22 H new ATOM 0 HD2 PHE A 39 -0.687 -3.375 -1.871 1.00 63.22 H new ATOM 0 HE1 PHE A 39 0.556 -8.047 -2.764 1.00 0.14 H new ATOM 0 HE2 PHE A 39 1.146 -3.879 -3.423 1.00 64.33 H new ATOM 0 HZ PHE A 39 1.774 -6.217 -3.871 1.00 61.34 H new ATOM 641 N LEU A 40 -3.922 -2.966 -2.159 1.00 72.15 N ATOM 642 CA LEU A 40 -3.850 -1.980 -3.245 1.00 1.31 C ATOM 643 C LEU A 40 -3.508 -0.588 -2.692 1.00 62.23 C ATOM 644 O LEU A 40 -3.840 -0.264 -1.551 1.00 74.31 O ATOM 645 CB LEU A 40 -5.180 -1.897 -4.020 1.00 23.33 C ATOM 646 CG LEU A 40 -6.368 -1.274 -3.252 1.00 55.44 C ATOM 647 CD1 LEU A 40 -7.471 -0.838 -4.214 1.00 3.12 C ATOM 648 CD2 LEU A 40 -6.926 -2.250 -2.217 1.00 22.42 C ATOM 0 H LEU A 40 -4.171 -2.569 -1.253 1.00 72.15 H new ATOM 0 HA LEU A 40 -3.064 -2.309 -3.925 1.00 1.31 H new ATOM 0 HB2 LEU A 40 -5.014 -1.317 -4.928 1.00 23.33 H new ATOM 0 HB3 LEU A 40 -5.461 -2.903 -4.332 1.00 23.33 H new ATOM 0 HG LEU A 40 -5.997 -0.393 -2.728 1.00 55.44 H new ATOM 0 HD11 LEU A 40 -8.295 -0.403 -3.649 1.00 3.12 H new ATOM 0 HD12 LEU A 40 -7.076 -0.097 -4.909 1.00 3.12 H new ATOM 0 HD13 LEU A 40 -7.830 -1.703 -4.772 1.00 3.12 H new ATOM 0 HD21 LEU A 40 -7.761 -1.786 -1.692 1.00 22.42 H new ATOM 0 HD22 LEU A 40 -7.271 -3.154 -2.718 1.00 22.42 H new ATOM 0 HD23 LEU A 40 -6.145 -2.507 -1.501 1.00 22.42 H new ATOM 660 N VAL A 41 -2.848 0.231 -3.503 1.00 22.45 N ATOM 661 CA VAL A 41 -2.581 1.622 -3.138 1.00 12.22 C ATOM 662 C VAL A 41 -3.519 2.557 -3.906 1.00 1.34 C ATOM 663 O VAL A 41 -3.594 2.510 -5.135 1.00 13.54 O ATOM 664 CB VAL A 41 -1.111 2.028 -3.421 1.00 35.51 C ATOM 665 CG1 VAL A 41 -0.870 3.498 -3.062 1.00 71.04 C ATOM 666 CG2 VAL A 41 -0.144 1.120 -2.660 1.00 51.43 C ATOM 0 H VAL A 41 -2.487 -0.041 -4.417 1.00 22.45 H new ATOM 0 HA VAL A 41 -2.756 1.712 -2.066 1.00 12.22 H new ATOM 0 HB VAL A 41 -0.926 1.907 -4.488 1.00 35.51 H new ATOM 0 HG11 VAL A 41 0.168 3.758 -3.270 1.00 71.04 H new ATOM 0 HG12 VAL A 41 -1.528 4.131 -3.657 1.00 71.04 H new ATOM 0 HG13 VAL A 41 -1.078 3.653 -2.003 1.00 71.04 H new ATOM 0 HG21 VAL A 41 0.882 1.422 -2.872 1.00 51.43 H new ATOM 0 HG22 VAL A 41 -0.333 1.203 -1.590 1.00 51.43 H new ATOM 0 HG23 VAL A 41 -0.291 0.087 -2.975 1.00 51.43 H new ATOM 676 N ARG A 42 -4.251 3.389 -3.178 1.00 63.03 N ATOM 677 CA ARG A 42 -5.177 4.339 -3.795 1.00 53.40 C ATOM 678 C ARG A 42 -4.807 5.778 -3.426 1.00 72.53 C ATOM 679 O ARG A 42 -4.112 6.016 -2.437 1.00 31.03 O ATOM 680 CB ARG A 42 -6.619 4.062 -3.338 1.00 1.00 C ATOM 681 CG ARG A 42 -6.887 4.470 -1.888 1.00 1.42 C ATOM 682 CD ARG A 42 -8.369 4.411 -1.534 1.00 33.25 C ATOM 683 NE ARG A 42 -8.653 5.148 -0.301 1.00 53.35 N ATOM 684 CZ ARG A 42 -9.381 6.235 -0.248 1.00 45.42 C ATOM 685 NH1 ARG A 42 -9.971 6.684 -1.304 1.00 51.50 N ATOM 686 NH2 ARG A 42 -9.533 6.869 0.869 1.00 54.51 N ATOM 0 H ARG A 42 -4.224 3.428 -2.159 1.00 63.03 H new ATOM 0 HA ARG A 42 -5.106 4.215 -4.876 1.00 53.40 H new ATOM 0 HB2 ARG A 42 -7.308 4.597 -3.991 1.00 1.00 H new ATOM 0 HB3 ARG A 42 -6.831 2.999 -3.453 1.00 1.00 H new ATOM 0 HG2 ARG A 42 -6.330 3.814 -1.219 1.00 1.42 H new ATOM 0 HG3 ARG A 42 -6.517 5.482 -1.723 1.00 1.42 H new ATOM 0 HD2 ARG A 42 -8.957 4.827 -2.352 1.00 33.25 H new ATOM 0 HD3 ARG A 42 -8.676 3.372 -1.417 1.00 33.25 H new ATOM 0 HE ARG A 42 -8.259 4.793 0.570 1.00 53.35 H new ATOM 0 HH11 ARG A 42 -9.873 6.191 -2.192 1.00 51.50 H new ATOM 0 HH12 ARG A 42 -10.536 7.532 -1.251 1.00 51.50 H new ATOM 0 HH21 ARG A 42 -9.084 6.523 1.717 1.00 54.51 H new ATOM 0 HH22 ARG A 42 -10.102 7.715 0.902 1.00 54.51 H new ATOM 700 N GLU A 43 -5.271 6.733 -4.219 1.00 13.34 N ATOM 701 CA GLU A 43 -5.158 8.145 -3.851 1.00 23.24 C ATOM 702 C GLU A 43 -6.479 8.628 -3.239 1.00 3.13 C ATOM 703 O GLU A 43 -7.556 8.307 -3.741 1.00 75.54 O ATOM 704 CB GLU A 43 -4.794 9.009 -5.066 1.00 42.31 C ATOM 705 CG GLU A 43 -4.301 10.403 -4.682 1.00 71.33 C ATOM 706 CD GLU A 43 -3.976 11.279 -5.882 1.00 73.43 C ATOM 707 OE1 GLU A 43 -3.241 10.820 -6.782 1.00 43.21 O ATOM 708 OE2 GLU A 43 -4.440 12.440 -5.919 1.00 32.32 O ATOM 0 H GLU A 43 -5.727 6.563 -5.116 1.00 13.34 H new ATOM 0 HA GLU A 43 -4.359 8.244 -3.117 1.00 23.24 H new ATOM 0 HB2 GLU A 43 -4.022 8.504 -5.646 1.00 42.31 H new ATOM 0 HB3 GLU A 43 -5.667 9.104 -5.712 1.00 42.31 H new ATOM 0 HG2 GLU A 43 -5.062 10.896 -4.077 1.00 71.33 H new ATOM 0 HG3 GLU A 43 -3.411 10.307 -4.059 1.00 71.33 H new ATOM 715 N SER A 44 -6.396 9.374 -2.147 1.00 2.15 N ATOM 716 CA SER A 44 -7.590 9.899 -1.478 1.00 52.43 C ATOM 717 C SER A 44 -8.342 10.889 -2.378 1.00 72.43 C ATOM 718 O SER A 44 -7.801 11.923 -2.776 1.00 1.42 O ATOM 719 CB SER A 44 -7.212 10.575 -0.156 1.00 23.04 C ATOM 720 OG SER A 44 -6.683 9.635 0.769 1.00 12.24 O ATOM 0 H SER A 44 -5.516 9.633 -1.701 1.00 2.15 H new ATOM 0 HA SER A 44 -8.250 9.057 -1.270 1.00 52.43 H new ATOM 0 HB2 SER A 44 -6.478 11.359 -0.342 1.00 23.04 H new ATOM 0 HB3 SER A 44 -8.090 11.057 0.273 1.00 23.04 H new ATOM 0 HG SER A 44 -6.315 10.110 1.543 1.00 12.24 H new ATOM 794 N GLU A 50 -2.533 12.622 -1.560 1.00 10.03 N ATOM 795 CA GLU A 50 -2.513 11.701 -0.412 1.00 10.42 C ATOM 796 C GLU A 50 -2.759 10.258 -0.867 1.00 2.14 C ATOM 797 O GLU A 50 -3.731 9.975 -1.562 1.00 20.33 O ATOM 798 CB GLU A 50 -3.564 12.116 0.627 1.00 50.03 C ATOM 799 CG GLU A 50 -3.653 11.185 1.834 1.00 12.42 C ATOM 800 CD GLU A 50 -4.579 11.720 2.918 1.00 24.12 C ATOM 801 OE1 GLU A 50 -5.811 11.521 2.814 1.00 42.23 O ATOM 802 OE2 GLU A 50 -4.079 12.354 3.869 1.00 32.33 O ATOM 0 HA GLU A 50 -1.526 11.753 0.048 1.00 10.42 H new ATOM 0 HB2 GLU A 50 -3.336 13.123 0.975 1.00 50.03 H new ATOM 0 HB3 GLU A 50 -4.540 12.159 0.143 1.00 50.03 H new ATOM 0 HG2 GLU A 50 -4.007 10.207 1.509 1.00 12.42 H new ATOM 0 HG3 GLU A 50 -2.656 11.040 2.251 1.00 12.42 H new ATOM 809 N TYR A 51 -1.870 9.346 -0.478 1.00 43.33 N ATOM 810 CA TYR A 51 -1.967 7.945 -0.901 1.00 2.25 C ATOM 811 C TYR A 51 -2.117 7.005 0.298 1.00 4.05 C ATOM 812 O TYR A 51 -1.384 7.107 1.284 1.00 72.33 O ATOM 813 CB TYR A 51 -0.738 7.557 -1.731 1.00 51.20 C ATOM 814 CG TYR A 51 -0.624 8.344 -3.022 1.00 24.24 C ATOM 815 CD1 TYR A 51 -0.017 9.596 -3.045 1.00 62.43 C ATOM 816 CD2 TYR A 51 -1.146 7.847 -4.211 1.00 14.33 C ATOM 817 CE1 TYR A 51 0.072 10.325 -4.214 1.00 34.42 C ATOM 818 CE2 TYR A 51 -1.063 8.572 -5.383 1.00 60.02 C ATOM 819 CZ TYR A 51 -0.454 9.809 -5.379 1.00 15.51 C ATOM 820 OH TYR A 51 -0.377 10.535 -6.544 1.00 43.42 O ATOM 0 H TYR A 51 -1.075 9.549 0.128 1.00 43.33 H new ATOM 0 HA TYR A 51 -2.861 7.843 -1.516 1.00 2.25 H new ATOM 0 HB2 TYR A 51 0.161 7.715 -1.135 1.00 51.20 H new ATOM 0 HB3 TYR A 51 -0.784 6.493 -1.963 1.00 51.20 H new ATOM 0 HD1 TYR A 51 0.392 10.004 -2.133 1.00 62.43 H new ATOM 0 HD2 TYR A 51 -1.624 6.879 -4.218 1.00 14.33 H new ATOM 0 HE1 TYR A 51 0.551 11.293 -4.216 1.00 34.42 H new ATOM 0 HE2 TYR A 51 -1.473 8.172 -6.299 1.00 60.02 H new ATOM 0 HH TYR A 51 -1.280 10.780 -6.837 1.00 43.42 H new ATOM 830 N VAL A 52 -3.078 6.091 0.201 1.00 31.42 N ATOM 831 CA VAL A 52 -3.367 5.143 1.280 1.00 32.35 C ATOM 832 C VAL A 52 -3.282 3.688 0.789 1.00 33.43 C ATOM 833 O VAL A 52 -3.945 3.302 -0.179 1.00 3.23 O ATOM 834 CB VAL A 52 -4.777 5.392 1.881 1.00 75.31 C ATOM 835 CG1 VAL A 52 -5.058 4.428 3.036 1.00 44.23 C ATOM 836 CG2 VAL A 52 -4.929 6.846 2.336 1.00 2.34 C ATOM 0 H VAL A 52 -3.675 5.984 -0.619 1.00 31.42 H new ATOM 0 HA VAL A 52 -2.612 5.303 2.050 1.00 32.35 H new ATOM 0 HB VAL A 52 -5.513 5.204 1.099 1.00 75.31 H new ATOM 0 HG11 VAL A 52 -6.052 4.623 3.439 1.00 44.23 H new ATOM 0 HG12 VAL A 52 -5.009 3.401 2.673 1.00 44.23 H new ATOM 0 HG13 VAL A 52 -4.314 4.572 3.819 1.00 44.23 H new ATOM 0 HG21 VAL A 52 -5.925 6.995 2.753 1.00 2.34 H new ATOM 0 HG22 VAL A 52 -4.180 7.070 3.096 1.00 2.34 H new ATOM 0 HG23 VAL A 52 -4.790 7.511 1.483 1.00 2.34 H new ATOM 846 N LEU A 53 -2.471 2.885 1.472 1.00 64.13 N ATOM 847 CA LEU A 53 -2.364 1.452 1.192 1.00 5.42 C ATOM 848 C LEU A 53 -3.426 0.674 1.979 1.00 32.02 C ATOM 849 O LEU A 53 -3.541 0.822 3.197 1.00 65.13 O ATOM 850 CB LEU A 53 -0.961 0.942 1.564 1.00 62.41 C ATOM 851 CG LEU A 53 -0.761 -0.587 1.479 1.00 5.42 C ATOM 852 CD1 LEU A 53 -0.902 -1.085 0.043 1.00 1.41 C ATOM 853 CD2 LEU A 53 0.596 -0.984 2.055 1.00 3.03 C ATOM 0 H LEU A 53 -1.871 3.205 2.232 1.00 64.13 H new ATOM 0 HA LEU A 53 -2.529 1.294 0.126 1.00 5.42 H new ATOM 0 HB2 LEU A 53 -0.234 1.422 0.909 1.00 62.41 H new ATOM 0 HB3 LEU A 53 -0.735 1.264 2.581 1.00 62.41 H new ATOM 0 HG LEU A 53 -1.542 -1.060 2.074 1.00 5.42 H new ATOM 0 HD11 LEU A 53 -0.756 -2.165 0.016 1.00 1.41 H new ATOM 0 HD12 LEU A 53 -1.898 -0.844 -0.329 1.00 1.41 H new ATOM 0 HD13 LEU A 53 -0.153 -0.602 -0.585 1.00 1.41 H new ATOM 0 HD21 LEU A 53 0.718 -2.065 1.986 1.00 3.03 H new ATOM 0 HD22 LEU A 53 1.389 -0.492 1.491 1.00 3.03 H new ATOM 0 HD23 LEU A 53 0.651 -0.678 3.100 1.00 3.03 H new ATOM 865 N SER A 54 -4.203 -0.142 1.279 1.00 71.41 N ATOM 866 CA SER A 54 -5.268 -0.936 1.905 1.00 54.54 C ATOM 867 C SER A 54 -5.009 -2.436 1.724 1.00 62.04 C ATOM 868 O SER A 54 -5.107 -2.961 0.618 1.00 12.44 O ATOM 869 CB SER A 54 -6.633 -0.559 1.313 1.00 64.14 C ATOM 870 OG SER A 54 -6.917 0.824 1.512 1.00 34.10 O ATOM 0 H SER A 54 -4.120 -0.276 0.271 1.00 71.41 H new ATOM 0 HA SER A 54 -5.274 -0.715 2.972 1.00 54.54 H new ATOM 0 HB2 SER A 54 -6.645 -0.786 0.247 1.00 64.14 H new ATOM 0 HB3 SER A 54 -7.413 -1.163 1.776 1.00 64.14 H new ATOM 0 HG SER A 54 -6.992 1.008 2.472 1.00 34.10 H new ATOM 876 N VAL A 55 -4.671 -3.113 2.819 1.00 52.14 N ATOM 877 CA VAL A 55 -4.360 -4.550 2.789 1.00 53.12 C ATOM 878 C VAL A 55 -5.210 -5.339 3.804 1.00 63.10 C ATOM 879 O VAL A 55 -5.446 -4.886 4.927 1.00 73.44 O ATOM 880 CB VAL A 55 -2.852 -4.796 3.067 1.00 33.15 C ATOM 881 CG1 VAL A 55 -2.430 -4.161 4.391 1.00 2.22 C ATOM 882 CG2 VAL A 55 -2.523 -6.293 3.044 1.00 12.30 C ATOM 0 H VAL A 55 -4.604 -2.691 3.745 1.00 52.14 H new ATOM 0 HA VAL A 55 -4.603 -4.908 1.788 1.00 53.12 H new ATOM 0 HB VAL A 55 -2.283 -4.319 2.269 1.00 33.15 H new ATOM 0 HG11 VAL A 55 -1.370 -4.348 4.562 1.00 2.22 H new ATOM 0 HG12 VAL A 55 -2.608 -3.086 4.352 1.00 2.22 H new ATOM 0 HG13 VAL A 55 -3.011 -4.596 5.204 1.00 2.22 H new ATOM 0 HG21 VAL A 55 -1.461 -6.435 3.242 1.00 12.30 H new ATOM 0 HG22 VAL A 55 -3.106 -6.805 3.809 1.00 12.30 H new ATOM 0 HG23 VAL A 55 -2.768 -6.704 2.065 1.00 12.30 H new ATOM 892 N TYR A 56 -5.671 -6.520 3.401 1.00 65.12 N ATOM 893 CA TYR A 56 -6.495 -7.367 4.264 1.00 12.10 C ATOM 894 C TYR A 56 -5.626 -8.327 5.093 1.00 3.34 C ATOM 895 O TYR A 56 -4.971 -9.216 4.548 1.00 1.32 O ATOM 896 CB TYR A 56 -7.489 -8.166 3.413 1.00 62.13 C ATOM 897 CG TYR A 56 -8.605 -8.825 4.210 1.00 24.33 C ATOM 898 CD1 TYR A 56 -8.460 -10.105 4.732 1.00 63.05 C ATOM 899 CD2 TYR A 56 -9.808 -8.163 4.432 1.00 11.22 C ATOM 900 CE1 TYR A 56 -9.478 -10.707 5.447 1.00 72.31 C ATOM 901 CE2 TYR A 56 -10.830 -8.757 5.146 1.00 51.22 C ATOM 902 CZ TYR A 56 -10.661 -10.028 5.652 1.00 33.21 C ATOM 903 OH TYR A 56 -11.680 -10.628 6.358 1.00 4.45 O ATOM 0 H TYR A 56 -5.488 -6.915 2.479 1.00 65.12 H new ATOM 0 HA TYR A 56 -7.041 -6.722 4.953 1.00 12.10 H new ATOM 0 HB2 TYR A 56 -7.931 -7.501 2.671 1.00 62.13 H new ATOM 0 HB3 TYR A 56 -6.945 -8.936 2.866 1.00 62.13 H new ATOM 0 HD1 TYR A 56 -7.534 -10.639 4.576 1.00 63.05 H new ATOM 0 HD2 TYR A 56 -9.945 -7.166 4.039 1.00 11.22 H new ATOM 0 HE1 TYR A 56 -9.348 -11.703 5.843 1.00 72.31 H new ATOM 0 HE2 TYR A 56 -11.758 -8.228 5.307 1.00 51.22 H new ATOM 0 HH TYR A 56 -12.444 -10.016 6.414 1.00 4.45 H new ATOM 913 N SER A 57 -5.629 -8.153 6.412 1.00 53.02 N ATOM 914 CA SER A 57 -4.845 -9.022 7.303 1.00 2.02 C ATOM 915 C SER A 57 -5.592 -9.308 8.611 1.00 42.11 C ATOM 916 O SER A 57 -6.050 -8.387 9.291 1.00 4.01 O ATOM 917 CB SER A 57 -3.479 -8.389 7.616 1.00 71.42 C ATOM 918 OG SER A 57 -2.694 -9.235 8.447 1.00 24.35 O ATOM 0 H SER A 57 -6.160 -7.425 6.891 1.00 53.02 H new ATOM 0 HA SER A 57 -4.692 -9.967 6.781 1.00 2.02 H new ATOM 0 HB2 SER A 57 -2.945 -8.193 6.686 1.00 71.42 H new ATOM 0 HB3 SER A 57 -3.626 -7.428 8.108 1.00 71.42 H new ATOM 0 HG SER A 57 -1.831 -8.807 8.627 1.00 24.35 H new ATOM 924 N ASP A 58 -5.732 -10.596 8.934 1.00 43.32 N ATOM 925 CA ASP A 58 -6.330 -11.042 10.198 1.00 3.13 C ATOM 926 C ASP A 58 -7.783 -10.544 10.349 1.00 20.33 C ATOM 927 O ASP A 58 -8.236 -10.204 11.444 1.00 11.31 O ATOM 928 CB ASP A 58 -5.462 -10.583 11.380 1.00 43.04 C ATOM 929 CG ASP A 58 -5.763 -11.353 12.653 1.00 41.14 C ATOM 930 OD1 ASP A 58 -5.824 -12.601 12.593 1.00 43.43 O ATOM 931 OD2 ASP A 58 -5.917 -10.728 13.719 1.00 62.33 O ATOM 0 H ASP A 58 -5.434 -11.360 8.328 1.00 43.32 H new ATOM 0 HA ASP A 58 -6.366 -12.131 10.191 1.00 3.13 H new ATOM 0 HB2 ASP A 58 -4.410 -10.707 11.124 1.00 43.04 H new ATOM 0 HB3 ASP A 58 -5.624 -9.519 11.555 1.00 43.04 H new ATOM 936 N GLY A 59 -8.510 -10.518 9.233 1.00 1.20 N ATOM 937 CA GLY A 59 -9.908 -10.097 9.254 1.00 43.53 C ATOM 938 C GLY A 59 -10.097 -8.584 9.180 1.00 44.23 C ATOM 939 O GLY A 59 -11.203 -8.103 8.931 1.00 42.13 O ATOM 0 H GLY A 59 -8.158 -10.781 8.312 1.00 1.20 H new ATOM 0 HA2 GLY A 59 -10.430 -10.560 8.417 1.00 43.53 H new ATOM 0 HA3 GLY A 59 -10.376 -10.468 10.166 1.00 43.53 H new ATOM 943 N GLN A 60 -9.024 -7.825 9.393 1.00 23.42 N ATOM 944 CA GLN A 60 -9.102 -6.360 9.389 1.00 32.33 C ATOM 945 C GLN A 60 -8.641 -5.768 8.048 1.00 21.54 C ATOM 946 O GLN A 60 -7.695 -6.263 7.428 1.00 14.01 O ATOM 947 CB GLN A 60 -8.228 -5.776 10.509 1.00 54.12 C ATOM 948 CG GLN A 60 -8.558 -6.295 11.903 1.00 13.31 C ATOM 949 CD GLN A 60 -7.704 -5.650 12.983 1.00 4.43 C ATOM 950 OE1 GLN A 60 -6.565 -5.250 12.744 1.00 74.50 O ATOM 951 NE2 GLN A 60 -8.242 -5.536 14.180 1.00 22.04 N ATOM 0 H GLN A 60 -8.091 -8.196 9.570 1.00 23.42 H new ATOM 0 HA GLN A 60 -10.147 -6.096 9.549 1.00 32.33 H new ATOM 0 HB2 GLN A 60 -7.183 -5.997 10.290 1.00 54.12 H new ATOM 0 HB3 GLN A 60 -8.331 -4.691 10.505 1.00 54.12 H new ATOM 0 HG2 GLN A 60 -9.610 -6.108 12.117 1.00 13.31 H new ATOM 0 HG3 GLN A 60 -8.415 -7.375 11.928 1.00 13.31 H new ATOM 0 HE21 GLN A 60 -9.189 -5.877 14.348 1.00 22.04 H new ATOM 0 HE22 GLN A 60 -7.712 -5.107 14.939 1.00 22.04 H new ATOM 960 N ARG A 61 -9.311 -4.707 7.605 1.00 55.23 N ATOM 961 CA ARG A 61 -8.805 -3.903 6.495 1.00 2.02 C ATOM 962 C ARG A 61 -7.779 -2.886 7.024 1.00 21.33 C ATOM 963 O ARG A 61 -8.145 -1.863 7.603 1.00 31.22 O ATOM 964 CB ARG A 61 -9.949 -3.165 5.769 1.00 51.14 C ATOM 965 CG ARG A 61 -10.698 -3.998 4.724 1.00 72.23 C ATOM 966 CD ARG A 61 -11.616 -5.054 5.330 1.00 72.05 C ATOM 967 NE ARG A 61 -12.345 -5.784 4.290 1.00 51.11 N ATOM 968 CZ ARG A 61 -13.458 -6.439 4.482 1.00 30.01 C ATOM 969 NH1 ARG A 61 -13.998 -6.494 5.657 1.00 74.41 N ATOM 970 NH2 ARG A 61 -14.020 -7.046 3.492 1.00 74.43 N ATOM 0 H ARG A 61 -10.198 -4.386 7.993 1.00 55.23 H new ATOM 0 HA ARG A 61 -8.328 -4.571 5.778 1.00 2.02 H new ATOM 0 HB2 ARG A 61 -10.665 -2.815 6.513 1.00 51.14 H new ATOM 0 HB3 ARG A 61 -9.538 -2.281 5.281 1.00 51.14 H new ATOM 0 HG2 ARG A 61 -11.289 -3.332 4.096 1.00 72.23 H new ATOM 0 HG3 ARG A 61 -9.973 -4.488 4.074 1.00 72.23 H new ATOM 0 HD2 ARG A 61 -11.027 -5.753 5.924 1.00 72.05 H new ATOM 0 HD3 ARG A 61 -12.324 -4.578 6.008 1.00 72.05 H new ATOM 0 HE ARG A 61 -11.955 -5.780 3.348 1.00 51.11 H new ATOM 0 HH11 ARG A 61 -13.554 -6.023 6.445 1.00 74.41 H new ATOM 0 HH12 ARG A 61 -14.868 -7.009 5.795 1.00 74.41 H new ATOM 0 HH21 ARG A 61 -13.595 -7.013 2.565 1.00 74.43 H new ATOM 0 HH22 ARG A 61 -14.890 -7.559 3.636 1.00 74.43 H new ATOM 984 N ARG A 62 -6.499 -3.171 6.825 1.00 62.44 N ATOM 985 CA ARG A 62 -5.428 -2.307 7.326 1.00 53.40 C ATOM 986 C ARG A 62 -5.122 -1.180 6.330 1.00 50.12 C ATOM 987 O ARG A 62 -4.802 -1.436 5.169 1.00 3.42 O ATOM 988 CB ARG A 62 -4.161 -3.138 7.586 1.00 55.12 C ATOM 989 CG ARG A 62 -4.381 -4.336 8.512 1.00 23.41 C ATOM 990 CD ARG A 62 -4.866 -3.919 9.897 1.00 3.15 C ATOM 991 NE ARG A 62 -3.908 -3.047 10.582 1.00 61.20 N ATOM 992 CZ ARG A 62 -3.578 -3.161 11.841 1.00 3.42 C ATOM 993 NH1 ARG A 62 -4.109 -4.083 12.582 1.00 43.24 N ATOM 994 NH2 ARG A 62 -2.723 -2.339 12.359 1.00 30.21 N ATOM 0 H ARG A 62 -6.172 -3.995 6.320 1.00 62.44 H new ATOM 0 HA ARG A 62 -5.760 -1.856 8.261 1.00 53.40 H new ATOM 0 HB2 ARG A 62 -3.772 -3.495 6.633 1.00 55.12 H new ATOM 0 HB3 ARG A 62 -3.398 -2.492 8.020 1.00 55.12 H new ATOM 0 HG2 ARG A 62 -5.110 -5.010 8.062 1.00 23.41 H new ATOM 0 HG3 ARG A 62 -3.449 -4.893 8.609 1.00 23.41 H new ATOM 0 HD2 ARG A 62 -5.822 -3.403 9.805 1.00 3.15 H new ATOM 0 HD3 ARG A 62 -5.041 -4.809 10.502 1.00 3.15 H new ATOM 0 HE ARG A 62 -3.470 -2.302 10.040 1.00 61.20 H new ATOM 0 HH11 ARG A 62 -4.791 -4.728 12.183 1.00 43.24 H new ATOM 0 HH12 ARG A 62 -3.844 -4.163 13.564 1.00 43.24 H new ATOM 0 HH21 ARG A 62 -2.309 -1.605 11.785 1.00 30.21 H new ATOM 0 HH22 ARG A 62 -2.463 -2.425 13.342 1.00 30.21 H new ATOM 1008 N HIS A 63 -5.236 0.066 6.783 1.00 75.24 N ATOM 1009 CA HIS A 63 -4.984 1.227 5.921 1.00 20.32 C ATOM 1010 C HIS A 63 -3.777 2.040 6.420 1.00 42.53 C ATOM 1011 O HIS A 63 -3.793 2.574 7.528 1.00 62.42 O ATOM 1012 CB HIS A 63 -6.231 2.122 5.864 1.00 15.20 C ATOM 1013 CG HIS A 63 -7.481 1.402 5.450 1.00 40.24 C ATOM 1014 ND1 HIS A 63 -7.770 1.057 4.142 1.00 13.30 N ATOM 1015 CD2 HIS A 63 -8.533 0.971 6.186 1.00 62.12 C ATOM 1016 CE1 HIS A 63 -8.942 0.450 4.095 1.00 13.03 C ATOM 1017 NE2 HIS A 63 -9.422 0.385 5.319 1.00 60.34 N ATOM 0 H HIS A 63 -5.501 0.302 7.740 1.00 75.24 H new ATOM 0 HA HIS A 63 -4.756 0.861 4.920 1.00 20.32 H new ATOM 0 HB2 HIS A 63 -6.390 2.569 6.845 1.00 15.20 H new ATOM 0 HB3 HIS A 63 -6.047 2.940 5.167 1.00 15.20 H new ATOM 0 HD2 HIS A 63 -8.651 1.070 7.255 1.00 62.12 H new ATOM 0 HE1 HIS A 63 -9.424 0.072 3.205 1.00 13.03 H new ATOM 0 HE2 HIS A 63 -10.314 -0.035 5.582 1.00 60.34 H new ATOM 1026 N PHE A 64 -2.736 2.126 5.595 1.00 50.52 N ATOM 1027 CA PHE A 64 -1.521 2.878 5.941 1.00 14.35 C ATOM 1028 C PHE A 64 -1.333 4.083 5.004 1.00 3.04 C ATOM 1029 O PHE A 64 -1.346 3.937 3.784 1.00 73.13 O ATOM 1030 CB PHE A 64 -0.291 1.959 5.856 1.00 74.15 C ATOM 1031 CG PHE A 64 -0.411 0.688 6.669 1.00 42.14 C ATOM 1032 CD1 PHE A 64 -0.265 0.708 8.050 1.00 45.41 C ATOM 1033 CD2 PHE A 64 -0.671 -0.529 6.048 1.00 4.14 C ATOM 1034 CE1 PHE A 64 -0.376 -0.456 8.792 1.00 73.02 C ATOM 1035 CE2 PHE A 64 -0.782 -1.691 6.787 1.00 71.34 C ATOM 1036 CZ PHE A 64 -0.635 -1.654 8.158 1.00 44.12 C ATOM 0 H PHE A 64 -2.705 1.684 4.676 1.00 50.52 H new ATOM 0 HA PHE A 64 -1.629 3.247 6.961 1.00 14.35 H new ATOM 0 HB2 PHE A 64 -0.120 1.695 4.812 1.00 74.15 H new ATOM 0 HB3 PHE A 64 0.586 2.512 6.193 1.00 74.15 H new ATOM 0 HD1 PHE A 64 -0.062 1.643 8.551 1.00 45.41 H new ATOM 0 HD2 PHE A 64 -0.788 -0.566 4.975 1.00 4.14 H new ATOM 0 HE1 PHE A 64 -0.260 -0.426 9.865 1.00 73.02 H new ATOM 0 HE2 PHE A 64 -0.984 -2.629 6.291 1.00 71.34 H new ATOM 0 HZ PHE A 64 -0.723 -2.563 8.735 1.00 44.12 H new ATOM 1046 N ILE A 65 -1.161 5.273 5.576 1.00 23.04 N ATOM 1047 CA ILE A 65 -0.964 6.492 4.779 1.00 32.33 C ATOM 1048 C ILE A 65 0.528 6.720 4.462 1.00 21.50 C ATOM 1049 O ILE A 65 1.396 6.449 5.293 1.00 21.51 O ATOM 1050 CB ILE A 65 -1.535 7.738 5.511 1.00 74.21 C ATOM 1051 CG1 ILE A 65 -3.029 7.536 5.836 1.00 12.23 C ATOM 1052 CG2 ILE A 65 -1.335 9.003 4.674 1.00 52.41 C ATOM 1053 CD1 ILE A 65 -3.663 8.697 6.585 1.00 62.42 C ATOM 0 H ILE A 65 -1.153 5.424 6.585 1.00 23.04 H new ATOM 0 HA ILE A 65 -1.504 6.353 3.843 1.00 32.33 H new ATOM 0 HB ILE A 65 -0.990 7.861 6.447 1.00 74.21 H new ATOM 0 HG12 ILE A 65 -3.574 7.377 4.906 1.00 12.23 H new ATOM 0 HG13 ILE A 65 -3.141 6.629 6.430 1.00 12.23 H new ATOM 0 HG21 ILE A 65 -1.743 9.861 5.208 1.00 52.41 H new ATOM 0 HG22 ILE A 65 -0.271 9.158 4.498 1.00 52.41 H new ATOM 0 HG23 ILE A 65 -1.849 8.892 3.719 1.00 52.41 H new ATOM 0 HD11 ILE A 65 -4.713 8.477 6.775 1.00 62.42 H new ATOM 0 HD12 ILE A 65 -3.146 8.844 7.533 1.00 62.42 H new ATOM 0 HD13 ILE A 65 -3.585 9.603 5.984 1.00 62.42 H new ATOM 1065 N ILE A 66 0.812 7.218 3.256 1.00 71.01 N ATOM 1066 CA ILE A 66 2.191 7.488 2.827 1.00 13.51 C ATOM 1067 C ILE A 66 2.605 8.944 3.122 1.00 54.11 C ATOM 1068 O ILE A 66 2.014 9.885 2.587 1.00 72.34 O ATOM 1069 CB ILE A 66 2.364 7.218 1.308 1.00 41.53 C ATOM 1070 CG1 ILE A 66 1.949 5.780 0.964 1.00 42.32 C ATOM 1071 CG2 ILE A 66 3.806 7.479 0.876 1.00 2.43 C ATOM 1072 CD1 ILE A 66 2.103 5.426 -0.502 1.00 20.41 C ATOM 0 H ILE A 66 0.105 7.444 2.556 1.00 71.01 H new ATOM 0 HA ILE A 66 2.833 6.815 3.396 1.00 13.51 H new ATOM 0 HB ILE A 66 1.714 7.902 0.763 1.00 41.53 H new ATOM 0 HG12 ILE A 66 2.546 5.089 1.558 1.00 42.32 H new ATOM 0 HG13 ILE A 66 0.909 5.634 1.255 1.00 42.32 H new ATOM 0 HG21 ILE A 66 3.907 7.284 -0.192 1.00 2.43 H new ATOM 0 HG22 ILE A 66 4.065 8.518 1.081 1.00 2.43 H new ATOM 0 HG23 ILE A 66 4.476 6.822 1.430 1.00 2.43 H new ATOM 0 HD11 ILE A 66 1.789 4.394 -0.662 1.00 20.41 H new ATOM 0 HD12 ILE A 66 1.484 6.091 -1.104 1.00 20.41 H new ATOM 0 HD13 ILE A 66 3.147 5.537 -0.796 1.00 20.41 H new ATOM 1084 N GLN A 67 3.621 9.126 3.971 1.00 53.43 N ATOM 1085 CA GLN A 67 4.164 10.461 4.258 1.00 22.34 C ATOM 1086 C GLN A 67 5.373 10.773 3.359 1.00 1.52 C ATOM 1087 O GLN A 67 6.213 9.907 3.104 1.00 41.14 O ATOM 1088 CB GLN A 67 4.587 10.591 5.736 1.00 14.22 C ATOM 1089 CG GLN A 67 3.499 10.224 6.743 1.00 44.42 C ATOM 1090 CD GLN A 67 3.378 8.727 6.962 1.00 50.23 C ATOM 1091 OE1 GLN A 67 4.357 7.994 6.886 1.00 42.52 O ATOM 1092 NE2 GLN A 67 2.178 8.262 7.229 1.00 55.33 N ATOM 0 H GLN A 67 4.085 8.368 4.472 1.00 53.43 H new ATOM 0 HA GLN A 67 3.368 11.177 4.052 1.00 22.34 H new ATOM 0 HB2 GLN A 67 5.454 9.954 5.910 1.00 14.22 H new ATOM 0 HB3 GLN A 67 4.904 11.618 5.921 1.00 14.22 H new ATOM 0 HG2 GLN A 67 3.714 10.709 7.695 1.00 44.42 H new ATOM 0 HG3 GLN A 67 2.542 10.614 6.395 1.00 44.42 H new ATOM 0 HE21 GLN A 67 1.384 8.900 7.285 1.00 55.33 H new ATOM 0 HE22 GLN A 67 2.040 7.263 7.380 1.00 55.33 H new ATOM 1101 N TYR A 68 5.454 12.014 2.881 1.00 43.43 N ATOM 1102 CA TYR A 68 6.592 12.472 2.070 1.00 23.10 C ATOM 1103 C TYR A 68 7.597 13.240 2.945 1.00 53.31 C ATOM 1104 O TYR A 68 7.413 14.422 3.232 1.00 11.20 O ATOM 1105 CB TYR A 68 6.091 13.361 0.918 1.00 61.20 C ATOM 1106 CG TYR A 68 7.180 13.845 -0.032 1.00 12.03 C ATOM 1107 CD1 TYR A 68 7.847 12.953 -0.867 1.00 71.31 C ATOM 1108 CD2 TYR A 68 7.526 15.193 -0.109 1.00 52.32 C ATOM 1109 CE1 TYR A 68 8.823 13.388 -1.744 1.00 62.31 C ATOM 1110 CE2 TYR A 68 8.504 15.633 -0.982 1.00 34.11 C ATOM 1111 CZ TYR A 68 9.149 14.727 -1.797 1.00 14.23 C ATOM 1112 OH TYR A 68 10.122 15.164 -2.675 1.00 51.14 O ATOM 0 H TYR A 68 4.743 12.727 3.040 1.00 43.43 H new ATOM 0 HA TYR A 68 7.098 11.604 1.648 1.00 23.10 H new ATOM 0 HB2 TYR A 68 5.348 12.806 0.345 1.00 61.20 H new ATOM 0 HB3 TYR A 68 5.584 14.229 1.340 1.00 61.20 H new ATOM 0 HD1 TYR A 68 7.598 11.903 -0.829 1.00 71.31 H new ATOM 0 HD2 TYR A 68 7.021 15.907 0.525 1.00 52.32 H new ATOM 0 HE1 TYR A 68 9.329 12.682 -2.386 1.00 62.31 H new ATOM 0 HE2 TYR A 68 8.761 16.681 -1.025 1.00 34.11 H new ATOM 0 HH TYR A 68 10.892 15.498 -2.170 1.00 51.14 H new ATOM 1122 N VAL A 69 8.649 12.550 3.384 1.00 65.14 N ATOM 1123 CA VAL A 69 9.648 13.138 4.292 1.00 4.54 C ATOM 1124 C VAL A 69 11.066 13.026 3.707 1.00 41.12 C ATOM 1125 O VAL A 69 11.489 11.945 3.294 1.00 52.11 O ATOM 1126 CB VAL A 69 9.610 12.441 5.678 1.00 43.40 C ATOM 1127 CG1 VAL A 69 10.610 13.069 6.647 1.00 21.33 C ATOM 1128 CG2 VAL A 69 8.196 12.480 6.262 1.00 64.22 C ATOM 0 H VAL A 69 8.837 11.581 3.128 1.00 65.14 H new ATOM 0 HA VAL A 69 9.397 14.192 4.411 1.00 4.54 H new ATOM 0 HB VAL A 69 9.898 11.400 5.534 1.00 43.40 H new ATOM 0 HG11 VAL A 69 10.557 12.557 7.608 1.00 21.33 H new ATOM 0 HG12 VAL A 69 11.617 12.976 6.241 1.00 21.33 H new ATOM 0 HG13 VAL A 69 10.370 14.123 6.784 1.00 21.33 H new ATOM 0 HG21 VAL A 69 8.190 11.986 7.234 1.00 64.22 H new ATOM 0 HG22 VAL A 69 7.879 13.516 6.379 1.00 64.22 H new ATOM 0 HG23 VAL A 69 7.510 11.965 5.589 1.00 64.22 H new ATOM 1138 N ASP A 70 11.788 14.151 3.667 1.00 53.42 N ATOM 1139 CA ASP A 70 13.158 14.197 3.122 1.00 3.41 C ATOM 1140 C ASP A 70 13.253 13.561 1.720 1.00 52.33 C ATOM 1141 O ASP A 70 14.200 12.833 1.416 1.00 23.01 O ATOM 1142 CB ASP A 70 14.140 13.523 4.090 1.00 74.33 C ATOM 1143 CG ASP A 70 14.366 14.352 5.343 1.00 51.42 C ATOM 1144 OD1 ASP A 70 13.611 14.189 6.321 1.00 72.04 O ATOM 1145 OD2 ASP A 70 15.295 15.190 5.350 1.00 33.10 O ATOM 0 H ASP A 70 11.447 15.050 4.007 1.00 53.42 H new ATOM 0 HA ASP A 70 13.428 15.247 3.013 1.00 3.41 H new ATOM 0 HB2 ASP A 70 13.757 12.541 4.369 1.00 74.33 H new ATOM 0 HB3 ASP A 70 15.093 13.362 3.586 1.00 74.33 H new ATOM 1150 N ASN A 71 12.271 13.872 0.870 1.00 55.55 N ATOM 1151 CA ASN A 71 12.214 13.357 -0.507 1.00 61.13 C ATOM 1152 C ASN A 71 12.057 11.827 -0.554 1.00 60.55 C ATOM 1153 O ASN A 71 12.367 11.190 -1.563 1.00 34.11 O ATOM 1154 CB ASN A 71 13.448 13.796 -1.307 1.00 24.45 C ATOM 1155 CG ASN A 71 13.554 15.305 -1.423 1.00 73.15 C ATOM 1156 OD1 ASN A 71 12.554 16.018 -1.384 1.00 41.31 O ATOM 1157 ND2 ASN A 71 14.760 15.806 -1.579 1.00 45.54 N ATOM 0 H ASN A 71 11.493 14.486 1.113 1.00 55.55 H new ATOM 0 HA ASN A 71 11.325 13.787 -0.968 1.00 61.13 H new ATOM 0 HB2 ASN A 71 14.346 13.407 -0.827 1.00 24.45 H new ATOM 0 HB3 ASN A 71 13.405 13.360 -2.305 1.00 24.45 H new ATOM 0 HD21 ASN A 71 14.885 16.814 -1.672 1.00 45.54 H new ATOM 0 HD22 ASN A 71 15.570 15.187 -1.607 1.00 45.54 H new ATOM 1164 N MET A 72 11.558 11.245 0.533 1.00 70.44 N ATOM 1165 CA MET A 72 11.303 9.802 0.598 1.00 64.23 C ATOM 1166 C MET A 72 9.868 9.503 1.070 1.00 64.04 C ATOM 1167 O MET A 72 9.394 10.057 2.066 1.00 11.43 O ATOM 1168 CB MET A 72 12.316 9.122 1.531 1.00 63.43 C ATOM 1169 CG MET A 72 13.769 9.307 1.103 1.00 24.13 C ATOM 1170 SD MET A 72 14.929 8.450 2.190 1.00 32.24 S ATOM 1171 CE MET A 72 14.611 9.275 3.749 1.00 71.34 C ATOM 0 H MET A 72 11.320 11.750 1.387 1.00 70.44 H new ATOM 0 HA MET A 72 11.417 9.400 -0.409 1.00 64.23 H new ATOM 0 HB2 MET A 72 12.191 9.518 2.539 1.00 63.43 H new ATOM 0 HB3 MET A 72 12.094 8.056 1.578 1.00 63.43 H new ATOM 0 HG2 MET A 72 13.893 8.940 0.084 1.00 24.13 H new ATOM 0 HG3 MET A 72 14.007 10.371 1.090 1.00 24.13 H new ATOM 0 HE1 MET A 72 15.435 9.083 4.437 1.00 71.34 H new ATOM 0 HE2 MET A 72 14.521 10.348 3.581 1.00 71.34 H new ATOM 0 HE3 MET A 72 13.684 8.896 4.179 1.00 71.34 H new ATOM 1181 N TYR A 73 9.181 8.631 0.338 1.00 4.10 N ATOM 1182 CA TYR A 73 7.837 8.180 0.706 1.00 51.53 C ATOM 1183 C TYR A 73 7.908 7.033 1.728 1.00 21.40 C ATOM 1184 O TYR A 73 8.604 6.039 1.512 1.00 41.22 O ATOM 1185 CB TYR A 73 7.071 7.725 -0.542 1.00 33.11 C ATOM 1186 CG TYR A 73 6.924 8.811 -1.592 1.00 65.04 C ATOM 1187 CD1 TYR A 73 5.831 9.673 -1.584 1.00 54.13 C ATOM 1188 CD2 TYR A 73 7.876 8.969 -2.594 1.00 64.34 C ATOM 1189 CE1 TYR A 73 5.693 10.660 -2.543 1.00 73.24 C ATOM 1190 CE2 TYR A 73 7.745 9.954 -3.554 1.00 33.11 C ATOM 1191 CZ TYR A 73 6.654 10.795 -3.525 1.00 41.53 C ATOM 1192 OH TYR A 73 6.524 11.777 -4.482 1.00 4.02 O ATOM 0 H TYR A 73 9.536 8.217 -0.524 1.00 4.10 H new ATOM 0 HA TYR A 73 7.308 9.017 1.162 1.00 51.53 H new ATOM 0 HB2 TYR A 73 7.586 6.871 -0.983 1.00 33.11 H new ATOM 0 HB3 TYR A 73 6.080 7.381 -0.245 1.00 33.11 H new ATOM 0 HD1 TYR A 73 5.078 9.569 -0.816 1.00 54.13 H new ATOM 0 HD2 TYR A 73 8.732 8.311 -2.622 1.00 64.34 H new ATOM 0 HE1 TYR A 73 4.839 11.321 -2.524 1.00 73.24 H new ATOM 0 HE2 TYR A 73 8.494 10.064 -4.324 1.00 33.11 H new ATOM 0 HH TYR A 73 7.285 11.737 -5.098 1.00 4.02 H new ATOM 1202 N ARG A 74 7.181 7.170 2.830 1.00 42.25 N ATOM 1203 CA ARG A 74 7.251 6.206 3.935 1.00 70.40 C ATOM 1204 C ARG A 74 5.875 5.941 4.560 1.00 4.53 C ATOM 1205 O ARG A 74 4.976 6.770 4.475 1.00 31.14 O ATOM 1206 CB ARG A 74 8.225 6.730 5.003 1.00 72.31 C ATOM 1207 CG ARG A 74 8.042 8.218 5.312 1.00 74.12 C ATOM 1208 CD ARG A 74 9.090 8.746 6.288 1.00 44.23 C ATOM 1209 NE ARG A 74 8.779 8.424 7.679 1.00 53.21 N ATOM 1210 CZ ARG A 74 9.434 8.910 8.700 1.00 15.41 C ATOM 1211 NH1 ARG A 74 10.492 9.637 8.512 1.00 34.31 N ATOM 1212 NH2 ARG A 74 9.045 8.643 9.907 1.00 71.11 N ATOM 0 H ARG A 74 6.532 7.941 2.988 1.00 42.25 H new ATOM 0 HA ARG A 74 7.609 5.258 3.533 1.00 70.40 H new ATOM 0 HB2 ARG A 74 8.090 6.156 5.920 1.00 72.31 H new ATOM 0 HB3 ARG A 74 9.248 6.559 4.667 1.00 72.31 H new ATOM 0 HG2 ARG A 74 8.095 8.788 4.384 1.00 74.12 H new ATOM 0 HG3 ARG A 74 7.048 8.380 5.729 1.00 74.12 H new ATOM 0 HD2 ARG A 74 10.063 8.327 6.031 1.00 44.23 H new ATOM 0 HD3 ARG A 74 9.170 9.828 6.179 1.00 44.23 H new ATOM 0 HE ARG A 74 8.007 7.784 7.863 1.00 53.21 H new ATOM 0 HH11 ARG A 74 10.816 9.831 7.564 1.00 34.31 H new ATOM 0 HH12 ARG A 74 11.000 10.014 9.312 1.00 34.31 H new ATOM 0 HH21 ARG A 74 8.227 8.053 10.061 1.00 71.11 H new ATOM 0 HH22 ARG A 74 9.557 9.023 10.703 1.00 71.11 H new ATOM 1226 N PHE A 75 5.722 4.768 5.173 1.00 21.44 N ATOM 1227 CA PHE A 75 4.499 4.428 5.921 1.00 74.44 C ATOM 1228 C PHE A 75 4.697 4.613 7.435 1.00 15.10 C ATOM 1229 O PHE A 75 3.764 4.960 8.164 1.00 34.22 O ATOM 1230 CB PHE A 75 4.088 2.971 5.648 1.00 54.04 C ATOM 1231 CG PHE A 75 3.597 2.706 4.246 1.00 53.34 C ATOM 1232 CD1 PHE A 75 2.322 3.094 3.864 1.00 64.11 C ATOM 1233 CD2 PHE A 75 4.398 2.048 3.321 1.00 2.24 C ATOM 1234 CE1 PHE A 75 1.856 2.836 2.592 1.00 51.11 C ATOM 1235 CE2 PHE A 75 3.934 1.791 2.043 1.00 61.25 C ATOM 1236 CZ PHE A 75 2.662 2.185 1.680 1.00 53.41 C ATOM 0 H PHE A 75 6.428 4.032 5.170 1.00 21.44 H new ATOM 0 HA PHE A 75 3.714 5.104 5.582 1.00 74.44 H new ATOM 0 HB2 PHE A 75 4.942 2.324 5.848 1.00 54.04 H new ATOM 0 HB3 PHE A 75 3.304 2.691 6.352 1.00 54.04 H new ATOM 0 HD1 PHE A 75 1.686 3.605 4.572 1.00 64.11 H new ATOM 0 HD2 PHE A 75 5.392 1.734 3.602 1.00 2.24 H new ATOM 0 HE1 PHE A 75 0.860 3.143 2.309 1.00 51.11 H new ATOM 0 HE2 PHE A 75 4.566 1.283 1.330 1.00 61.25 H new ATOM 0 HZ PHE A 75 2.298 1.984 0.683 1.00 53.41 H new ATOM 1246 N GLU A 76 5.915 4.355 7.902 1.00 40.01 N ATOM 1247 CA GLU A 76 6.242 4.439 9.328 1.00 12.03 C ATOM 1248 C GLU A 76 7.504 5.293 9.546 1.00 23.20 C ATOM 1249 O GLU A 76 7.419 6.512 9.711 1.00 24.44 O ATOM 1250 CB GLU A 76 6.433 3.017 9.890 1.00 13.24 C ATOM 1251 CG GLU A 76 6.739 2.952 11.381 1.00 3.10 C ATOM 1252 CD GLU A 76 7.026 1.532 11.851 1.00 72.33 C ATOM 1253 OE1 GLU A 76 8.166 1.060 11.657 1.00 74.41 O ATOM 1254 OE2 GLU A 76 6.116 0.878 12.399 1.00 42.41 O ATOM 0 H GLU A 76 6.700 4.083 7.310 1.00 40.01 H new ATOM 0 HA GLU A 76 5.422 4.923 9.859 1.00 12.03 H new ATOM 0 HB2 GLU A 76 5.529 2.440 9.694 1.00 13.24 H new ATOM 0 HB3 GLU A 76 7.244 2.533 9.346 1.00 13.24 H new ATOM 0 HG2 GLU A 76 7.598 3.586 11.601 1.00 3.10 H new ATOM 0 HG3 GLU A 76 5.894 3.354 11.941 1.00 3.10 H new ATOM 1261 N GLY A 77 8.674 4.657 9.511 1.00 35.10 N ATOM 1262 CA GLY A 77 9.936 5.379 9.653 1.00 74.34 C ATOM 1263 C GLY A 77 10.792 5.317 8.392 1.00 43.32 C ATOM 1264 O GLY A 77 11.153 6.349 7.825 1.00 22.31 O ATOM 0 H GLY A 77 8.774 3.650 9.386 1.00 35.10 H new ATOM 0 HA2 GLY A 77 9.729 6.421 9.896 1.00 74.34 H new ATOM 0 HA3 GLY A 77 10.497 4.962 10.489 1.00 74.34 H new ATOM 1268 N THR A 78 11.119 4.103 7.952 1.00 71.13 N ATOM 1269 CA THR A 78 11.901 3.910 6.723 1.00 51.32 C ATOM 1270 C THR A 78 11.030 4.073 5.465 1.00 41.55 C ATOM 1271 O THR A 78 9.825 3.796 5.490 1.00 24.23 O ATOM 1272 CB THR A 78 12.585 2.520 6.689 1.00 23.13 C ATOM 1273 OG1 THR A 78 13.379 2.391 5.499 1.00 24.32 O ATOM 1274 CG2 THR A 78 11.560 1.387 6.741 1.00 11.52 C ATOM 0 H THR A 78 10.857 3.238 8.424 1.00 71.13 H new ATOM 0 HA THR A 78 12.670 4.682 6.727 1.00 51.32 H new ATOM 0 HB THR A 78 13.223 2.445 7.570 1.00 23.13 H new ATOM 0 HG1 THR A 78 13.809 1.510 5.486 1.00 24.32 H new ATOM 0 HG21 THR A 78 12.077 0.428 6.715 1.00 11.52 H new ATOM 0 HG22 THR A 78 10.981 1.463 7.661 1.00 11.52 H new ATOM 0 HG23 THR A 78 10.891 1.462 5.884 1.00 11.52 H new ATOM 1282 N GLY A 79 11.640 4.524 4.367 1.00 22.01 N ATOM 1283 CA GLY A 79 10.894 4.735 3.128 1.00 74.22 C ATOM 1284 C GLY A 79 11.780 4.803 1.884 1.00 41.23 C ATOM 1285 O GLY A 79 12.998 4.628 1.965 1.00 14.15 O ATOM 0 H GLY A 79 12.634 4.747 4.311 1.00 22.01 H new ATOM 0 HA2 GLY A 79 10.172 3.927 3.006 1.00 74.22 H new ATOM 0 HA3 GLY A 79 10.325 5.661 3.210 1.00 74.22 H new ATOM 1289 N PHE A 80 11.164 5.060 0.730 1.00 42.43 N ATOM 1290 CA PHE A 80 11.880 5.130 -0.556 1.00 54.34 C ATOM 1291 C PHE A 80 11.489 6.393 -1.337 1.00 21.21 C ATOM 1292 O PHE A 80 10.345 6.832 -1.279 1.00 70.42 O ATOM 1293 CB PHE A 80 11.581 3.884 -1.406 1.00 1.51 C ATOM 1294 CG PHE A 80 12.201 2.616 -0.871 1.00 70.24 C ATOM 1295 CD1 PHE A 80 11.627 1.937 0.193 1.00 15.24 C ATOM 1296 CD2 PHE A 80 13.359 2.105 -1.437 1.00 15.23 C ATOM 1297 CE1 PHE A 80 12.195 0.779 0.685 1.00 51.24 C ATOM 1298 CE2 PHE A 80 13.932 0.945 -0.947 1.00 40.52 C ATOM 1299 CZ PHE A 80 13.349 0.283 0.114 1.00 25.34 C ATOM 0 H PHE A 80 10.160 5.226 0.654 1.00 42.43 H new ATOM 0 HA PHE A 80 12.948 5.170 -0.341 1.00 54.34 H new ATOM 0 HB2 PHE A 80 10.501 3.750 -1.470 1.00 1.51 H new ATOM 0 HB3 PHE A 80 11.942 4.053 -2.421 1.00 1.51 H new ATOM 0 HD1 PHE A 80 10.723 2.319 0.643 1.00 15.24 H new ATOM 0 HD2 PHE A 80 13.818 2.618 -2.269 1.00 15.23 H new ATOM 0 HE1 PHE A 80 11.737 0.262 1.515 1.00 51.24 H new ATOM 0 HE2 PHE A 80 14.835 0.558 -1.395 1.00 40.52 H new ATOM 0 HZ PHE A 80 13.796 -0.623 0.497 1.00 25.34 H new ATOM 1309 N SER A 81 12.438 6.964 -2.082 1.00 73.00 N ATOM 1310 CA SER A 81 12.199 8.210 -2.842 1.00 60.03 C ATOM 1311 C SER A 81 11.100 8.068 -3.912 1.00 4.22 C ATOM 1312 O SER A 81 10.612 9.065 -4.443 1.00 62.22 O ATOM 1313 CB SER A 81 13.497 8.700 -3.502 1.00 0.11 C ATOM 1314 OG SER A 81 14.464 9.073 -2.529 1.00 54.24 O ATOM 0 H SER A 81 13.382 6.590 -2.180 1.00 73.00 H new ATOM 0 HA SER A 81 11.850 8.943 -2.115 1.00 60.03 H new ATOM 0 HB2 SER A 81 13.903 7.913 -4.138 1.00 0.11 H new ATOM 0 HB3 SER A 81 13.280 9.552 -4.147 1.00 0.11 H new ATOM 0 HG SER A 81 14.109 9.802 -1.978 1.00 54.24 H new ATOM 1320 N ASN A 82 10.721 6.830 -4.233 1.00 31.42 N ATOM 1321 CA ASN A 82 9.648 6.569 -5.205 1.00 4.42 C ATOM 1322 C ASN A 82 8.608 5.596 -4.630 1.00 0.51 C ATOM 1323 O ASN A 82 8.966 4.543 -4.099 1.00 11.12 O ATOM 1324 CB ASN A 82 10.229 5.981 -6.501 1.00 33.34 C ATOM 1325 CG ASN A 82 11.190 6.925 -7.201 1.00 4.20 C ATOM 1326 OD1 ASN A 82 11.054 8.141 -7.129 1.00 70.13 O ATOM 1327 ND2 ASN A 82 12.167 6.371 -7.892 1.00 14.12 N ATOM 0 H ASN A 82 11.139 5.989 -3.836 1.00 31.42 H new ATOM 0 HA ASN A 82 9.160 7.519 -5.423 1.00 4.42 H new ATOM 0 HB2 ASN A 82 10.746 5.049 -6.271 1.00 33.34 H new ATOM 0 HB3 ASN A 82 9.413 5.733 -7.179 1.00 33.34 H new ATOM 0 HD21 ASN A 82 12.838 6.958 -8.387 1.00 14.12 H new ATOM 0 HD22 ASN A 82 12.252 5.355 -7.931 1.00 14.12 H new ATOM 1334 N ILE A 83 7.324 5.941 -4.755 1.00 43.41 N ATOM 1335 CA ILE A 83 6.232 5.064 -4.299 1.00 31.31 C ATOM 1336 C ILE A 83 6.294 3.671 -4.971 1.00 21.23 C ATOM 1337 O ILE A 83 6.182 2.651 -4.282 1.00 12.44 O ATOM 1338 CB ILE A 83 4.834 5.706 -4.547 1.00 50.02 C ATOM 1339 CG1 ILE A 83 4.712 7.032 -3.774 1.00 11.12 C ATOM 1340 CG2 ILE A 83 3.711 4.743 -4.147 1.00 65.04 C ATOM 1341 CD1 ILE A 83 3.377 7.731 -3.949 1.00 42.22 C ATOM 0 H ILE A 83 7.011 6.820 -5.167 1.00 43.41 H new ATOM 0 HA ILE A 83 6.370 4.936 -3.225 1.00 31.31 H new ATOM 0 HB ILE A 83 4.736 5.913 -5.613 1.00 50.02 H new ATOM 0 HG12 ILE A 83 4.872 6.838 -2.713 1.00 11.12 H new ATOM 0 HG13 ILE A 83 5.507 7.704 -4.098 1.00 11.12 H new ATOM 0 HG21 ILE A 83 2.745 5.214 -4.330 1.00 65.04 H new ATOM 0 HG22 ILE A 83 3.787 3.830 -4.738 1.00 65.04 H new ATOM 0 HG23 ILE A 83 3.801 4.499 -3.089 1.00 65.04 H new ATOM 0 HD11 ILE A 83 3.372 8.656 -3.373 1.00 42.22 H new ATOM 0 HD12 ILE A 83 3.221 7.959 -5.003 1.00 42.22 H new ATOM 0 HD13 ILE A 83 2.577 7.080 -3.597 1.00 42.22 H new ATOM 1353 N PRO A 84 6.475 3.589 -6.317 1.00 55.21 N ATOM 1354 CA PRO A 84 6.657 2.300 -7.007 1.00 32.13 C ATOM 1355 C PRO A 84 7.772 1.443 -6.374 1.00 23.05 C ATOM 1356 O PRO A 84 7.610 0.242 -6.194 1.00 33.51 O ATOM 1357 CB PRO A 84 7.020 2.695 -8.456 1.00 15.03 C ATOM 1358 CG PRO A 84 7.305 4.164 -8.412 1.00 52.14 C ATOM 1359 CD PRO A 84 6.487 4.711 -7.276 1.00 51.54 C ATOM 0 HA PRO A 84 5.761 1.683 -6.944 1.00 32.13 H new ATOM 0 HB2 PRO A 84 7.888 2.138 -8.809 1.00 15.03 H new ATOM 0 HB3 PRO A 84 6.200 2.475 -9.140 1.00 15.03 H new ATOM 0 HG2 PRO A 84 8.367 4.351 -8.253 1.00 52.14 H new ATOM 0 HG3 PRO A 84 7.034 4.642 -9.353 1.00 52.14 H new ATOM 0 HD2 PRO A 84 6.937 5.606 -6.847 1.00 51.54 H new ATOM 0 HD3 PRO A 84 5.481 4.982 -7.595 1.00 51.54 H new ATOM 1367 N GLN A 85 8.891 2.078 -6.013 1.00 15.23 N ATOM 1368 CA GLN A 85 10.017 1.367 -5.388 1.00 65.31 C ATOM 1369 C GLN A 85 9.704 0.970 -3.938 1.00 13.51 C ATOM 1370 O GLN A 85 10.131 -0.083 -3.472 1.00 74.04 O ATOM 1371 CB GLN A 85 11.291 2.224 -5.437 1.00 3.03 C ATOM 1372 CG GLN A 85 11.854 2.406 -6.844 1.00 21.44 C ATOM 1373 CD GLN A 85 12.162 1.080 -7.528 1.00 41.51 C ATOM 1374 OE1 GLN A 85 13.251 0.534 -7.399 1.00 11.41 O ATOM 1375 NE2 GLN A 85 11.206 0.555 -8.269 1.00 22.34 N ATOM 0 H GLN A 85 9.044 3.078 -6.141 1.00 15.23 H new ATOM 0 HA GLN A 85 10.181 0.452 -5.958 1.00 65.31 H new ATOM 0 HB2 GLN A 85 11.075 3.204 -5.012 1.00 3.03 H new ATOM 0 HB3 GLN A 85 12.052 1.764 -4.807 1.00 3.03 H new ATOM 0 HG2 GLN A 85 11.139 2.965 -7.448 1.00 21.44 H new ATOM 0 HG3 GLN A 85 12.764 3.004 -6.793 1.00 21.44 H new ATOM 0 HE21 GLN A 85 10.309 1.033 -8.358 1.00 22.34 H new ATOM 0 HE22 GLN A 85 11.363 -0.329 -8.753 1.00 22.34 H new ATOM 1384 N LEU A 86 8.967 1.822 -3.232 1.00 24.21 N ATOM 1385 CA LEU A 86 8.525 1.527 -1.864 1.00 34.34 C ATOM 1386 C LEU A 86 7.753 0.192 -1.808 1.00 13.21 C ATOM 1387 O LEU A 86 8.102 -0.722 -1.044 1.00 70.11 O ATOM 1388 CB LEU A 86 7.653 2.688 -1.354 1.00 21.11 C ATOM 1389 CG LEU A 86 7.117 2.563 0.083 1.00 74.41 C ATOM 1390 CD1 LEU A 86 8.263 2.451 1.086 1.00 63.31 C ATOM 1391 CD2 LEU A 86 6.217 3.753 0.419 1.00 13.15 C ATOM 0 H LEU A 86 8.659 2.729 -3.583 1.00 24.21 H new ATOM 0 HA LEU A 86 9.398 1.424 -1.220 1.00 34.34 H new ATOM 0 HB2 LEU A 86 8.234 3.607 -1.423 1.00 21.11 H new ATOM 0 HB3 LEU A 86 6.803 2.798 -2.027 1.00 21.11 H new ATOM 0 HG LEU A 86 6.525 1.650 0.150 1.00 74.41 H new ATOM 0 HD11 LEU A 86 7.857 2.364 2.094 1.00 63.31 H new ATOM 0 HD12 LEU A 86 8.861 1.569 0.858 1.00 63.31 H new ATOM 0 HD13 LEU A 86 8.890 3.340 1.023 1.00 63.31 H new ATOM 0 HD21 LEU A 86 5.845 3.651 1.438 1.00 13.15 H new ATOM 0 HD22 LEU A 86 6.788 4.677 0.332 1.00 13.15 H new ATOM 0 HD23 LEU A 86 5.376 3.780 -0.273 1.00 13.15 H new ATOM 1403 N ILE A 87 6.723 0.079 -2.644 1.00 31.33 N ATOM 1404 CA ILE A 87 5.903 -1.135 -2.712 1.00 21.22 C ATOM 1405 C ILE A 87 6.667 -2.306 -3.357 1.00 53.13 C ATOM 1406 O ILE A 87 6.669 -3.416 -2.826 1.00 30.43 O ATOM 1407 CB ILE A 87 4.588 -0.876 -3.494 1.00 62.14 C ATOM 1408 CG1 ILE A 87 3.771 0.236 -2.808 1.00 13.00 C ATOM 1409 CG2 ILE A 87 3.758 -2.158 -3.624 1.00 5.42 C ATOM 1410 CD1 ILE A 87 3.369 -0.085 -1.381 1.00 71.42 C ATOM 0 H ILE A 87 6.433 0.815 -3.288 1.00 31.33 H new ATOM 0 HA ILE A 87 5.660 -1.409 -1.686 1.00 21.22 H new ATOM 0 HB ILE A 87 4.849 -0.548 -4.500 1.00 62.14 H new ATOM 0 HG12 ILE A 87 4.355 1.157 -2.812 1.00 13.00 H new ATOM 0 HG13 ILE A 87 2.872 0.426 -3.394 1.00 13.00 H new ATOM 0 HG21 ILE A 87 2.843 -1.945 -4.176 1.00 5.42 H new ATOM 0 HG22 ILE A 87 4.336 -2.913 -4.157 1.00 5.42 H new ATOM 0 HG23 ILE A 87 3.504 -2.529 -2.631 1.00 5.42 H new ATOM 0 HD11 ILE A 87 2.798 0.746 -0.968 1.00 71.42 H new ATOM 0 HD12 ILE A 87 2.757 -0.987 -1.369 1.00 71.42 H new ATOM 0 HD13 ILE A 87 4.263 -0.245 -0.778 1.00 71.42 H new ATOM 1422 N ASP A 88 7.319 -2.051 -4.495 1.00 41.15 N ATOM 1423 CA ASP A 88 8.096 -3.083 -5.202 1.00 74.12 C ATOM 1424 C ASP A 88 9.158 -3.720 -4.288 1.00 42.32 C ATOM 1425 O ASP A 88 9.239 -4.944 -4.170 1.00 72.44 O ATOM 1426 CB ASP A 88 8.759 -2.478 -6.454 1.00 32.04 C ATOM 1427 CG ASP A 88 9.650 -3.463 -7.197 1.00 30.41 C ATOM 1428 OD1 ASP A 88 9.118 -4.331 -7.922 1.00 54.34 O ATOM 1429 OD2 ASP A 88 10.889 -3.369 -7.063 1.00 2.24 O ATOM 0 H ASP A 88 7.326 -1.138 -4.950 1.00 41.15 H new ATOM 0 HA ASP A 88 7.408 -3.872 -5.505 1.00 74.12 H new ATOM 0 HB2 ASP A 88 7.983 -2.119 -7.130 1.00 32.04 H new ATOM 0 HB3 ASP A 88 9.352 -1.612 -6.160 1.00 32.04 H new ATOM 1434 N HIS A 89 9.959 -2.886 -3.627 1.00 22.14 N ATOM 1435 CA HIS A 89 11.026 -3.380 -2.752 1.00 0.42 C ATOM 1436 C HIS A 89 10.454 -4.189 -1.573 1.00 35.10 C ATOM 1437 O HIS A 89 11.031 -5.194 -1.172 1.00 50.43 O ATOM 1438 CB HIS A 89 11.886 -2.220 -2.233 1.00 72.13 C ATOM 1439 CG HIS A 89 13.194 -2.657 -1.639 1.00 62.43 C ATOM 1440 ND1 HIS A 89 13.358 -2.967 -0.304 1.00 20.32 N ATOM 1441 CD2 HIS A 89 14.409 -2.842 -2.213 1.00 75.11 C ATOM 1442 CE1 HIS A 89 14.610 -3.326 -0.088 1.00 64.12 C ATOM 1443 NE2 HIS A 89 15.267 -3.257 -1.227 1.00 14.01 N ATOM 0 H HIS A 89 9.892 -1.870 -3.679 1.00 22.14 H new ATOM 0 HA HIS A 89 11.656 -4.044 -3.344 1.00 0.42 H new ATOM 0 HB2 HIS A 89 12.082 -1.530 -3.053 1.00 72.13 H new ATOM 0 HB3 HIS A 89 11.321 -1.669 -1.481 1.00 72.13 H new ATOM 0 HD2 HIS A 89 14.655 -2.691 -3.254 1.00 75.11 H new ATOM 0 HE1 HIS A 89 15.025 -3.626 0.863 1.00 64.12 H new ATOM 0 HE2 HIS A 89 16.255 -3.477 -1.355 1.00 14.01 H new ATOM 1452 N HIS A 90 9.320 -3.748 -1.016 1.00 0.54 N ATOM 1453 CA HIS A 90 8.659 -4.495 0.070 1.00 31.14 C ATOM 1454 C HIS A 90 8.064 -5.831 -0.420 1.00 3.45 C ATOM 1455 O HIS A 90 8.190 -6.854 0.252 1.00 60.04 O ATOM 1456 CB HIS A 90 7.565 -3.646 0.739 1.00 11.21 C ATOM 1457 CG HIS A 90 8.076 -2.756 1.833 1.00 62.02 C ATOM 1458 ND1 HIS A 90 8.434 -1.439 1.640 1.00 62.05 N ATOM 1459 CD2 HIS A 90 8.280 -3.005 3.151 1.00 65.15 C ATOM 1460 CE1 HIS A 90 8.835 -0.918 2.785 1.00 53.30 C ATOM 1461 NE2 HIS A 90 8.750 -1.847 3.718 1.00 14.11 N ATOM 0 H HIS A 90 8.843 -2.890 -1.292 1.00 0.54 H new ATOM 0 HA HIS A 90 9.430 -4.724 0.806 1.00 31.14 H new ATOM 0 HB2 HIS A 90 7.079 -3.032 -0.020 1.00 11.21 H new ATOM 0 HB3 HIS A 90 6.803 -4.309 1.148 1.00 11.21 H new ATOM 0 HD1 HIS A 90 8.395 -0.943 0.749 1.00 62.05 H new ATOM 0 HD2 HIS A 90 8.105 -3.941 3.660 1.00 65.15 H new ATOM 0 HE1 HIS A 90 9.175 0.096 2.933 1.00 53.30 H new ATOM 1470 N TYR A 91 7.422 -5.813 -1.589 1.00 30.53 N ATOM 1471 CA TYR A 91 6.789 -7.016 -2.149 1.00 51.20 C ATOM 1472 C TYR A 91 7.833 -8.087 -2.511 1.00 71.52 C ATOM 1473 O TYR A 91 7.690 -9.257 -2.151 1.00 33.04 O ATOM 1474 CB TYR A 91 5.962 -6.650 -3.393 1.00 5.13 C ATOM 1475 CG TYR A 91 5.189 -7.818 -3.985 1.00 51.31 C ATOM 1476 CD1 TYR A 91 3.973 -8.220 -3.435 1.00 33.14 C ATOM 1477 CD2 TYR A 91 5.671 -8.516 -5.088 1.00 13.34 C ATOM 1478 CE1 TYR A 91 3.266 -9.280 -3.968 1.00 44.21 C ATOM 1479 CE2 TYR A 91 4.968 -9.576 -5.625 1.00 4.42 C ATOM 1480 CZ TYR A 91 3.767 -9.955 -5.063 1.00 12.14 C ATOM 1481 OH TYR A 91 3.062 -11.014 -5.593 1.00 54.43 O ATOM 0 H TYR A 91 7.325 -4.980 -2.169 1.00 30.53 H new ATOM 0 HA TYR A 91 6.131 -7.431 -1.385 1.00 51.20 H new ATOM 0 HB2 TYR A 91 5.260 -5.858 -3.131 1.00 5.13 H new ATOM 0 HB3 TYR A 91 6.629 -6.245 -4.154 1.00 5.13 H new ATOM 0 HD1 TYR A 91 3.577 -7.694 -2.579 1.00 33.14 H new ATOM 0 HD2 TYR A 91 6.611 -8.224 -5.532 1.00 13.34 H new ATOM 0 HE1 TYR A 91 2.325 -9.579 -3.530 1.00 44.21 H new ATOM 0 HE2 TYR A 91 5.357 -10.106 -6.482 1.00 4.42 H new ATOM 0 HH TYR A 91 3.549 -11.380 -6.360 1.00 54.43 H new ATOM 1491 N THR A 92 8.883 -7.674 -3.221 1.00 5.30 N ATOM 1492 CA THR A 92 9.959 -8.591 -3.629 1.00 34.33 C ATOM 1493 C THR A 92 10.686 -9.196 -2.418 1.00 24.32 C ATOM 1494 O THR A 92 10.955 -10.396 -2.382 1.00 33.31 O ATOM 1495 CB THR A 92 11.001 -7.884 -4.526 1.00 31.34 C ATOM 1496 OG1 THR A 92 11.537 -6.743 -3.842 1.00 23.52 O ATOM 1497 CG2 THR A 92 10.384 -7.444 -5.852 1.00 1.21 C ATOM 0 H THR A 92 9.016 -6.710 -3.528 1.00 5.30 H new ATOM 0 HA THR A 92 9.476 -9.389 -4.193 1.00 34.33 H new ATOM 0 HB THR A 92 11.800 -8.594 -4.740 1.00 31.34 H new ATOM 0 HG1 THR A 92 10.868 -6.027 -3.827 1.00 23.52 H new ATOM 0 HG21 THR A 92 11.142 -6.950 -6.460 1.00 1.21 H new ATOM 0 HG22 THR A 92 10.004 -8.316 -6.384 1.00 1.21 H new ATOM 0 HG23 THR A 92 9.565 -6.751 -5.660 1.00 1.21 H new ATOM 1505 N THR A 93 11.002 -8.357 -1.431 1.00 73.25 N ATOM 1506 CA THR A 93 11.652 -8.822 -0.194 1.00 24.22 C ATOM 1507 C THR A 93 10.670 -9.571 0.711 1.00 52.15 C ATOM 1508 O THR A 93 11.080 -10.352 1.574 1.00 2.14 O ATOM 1509 CB THR A 93 12.260 -7.651 0.618 1.00 71.02 C ATOM 1510 OG1 THR A 93 11.225 -6.740 1.023 1.00 32.12 O ATOM 1511 CG2 THR A 93 13.310 -6.904 -0.198 1.00 3.51 C ATOM 0 H THR A 93 10.821 -7.354 -1.459 1.00 73.25 H new ATOM 0 HA THR A 93 12.449 -9.494 -0.512 1.00 24.22 H new ATOM 0 HB THR A 93 12.742 -8.069 1.502 1.00 71.02 H new ATOM 0 HG1 THR A 93 11.048 -6.103 0.300 1.00 32.12 H new ATOM 0 HG21 THR A 93 13.720 -6.088 0.397 1.00 3.51 H new ATOM 0 HG22 THR A 93 14.111 -7.589 -0.474 1.00 3.51 H new ATOM 0 HG23 THR A 93 12.850 -6.501 -1.100 1.00 3.51 H new ATOM 1519 N LYS A 94 9.373 -9.315 0.511 1.00 12.45 N ATOM 1520 CA LYS A 94 8.308 -9.920 1.319 1.00 22.31 C ATOM 1521 C LYS A 94 8.435 -9.467 2.789 1.00 51.52 C ATOM 1522 O LYS A 94 8.081 -10.195 3.720 1.00 22.44 O ATOM 1523 CB LYS A 94 8.375 -11.456 1.201 1.00 72.35 C ATOM 1524 CG LYS A 94 7.046 -12.175 1.442 1.00 52.02 C ATOM 1525 CD LYS A 94 5.983 -11.765 0.423 1.00 3.24 C ATOM 1526 CE LYS A 94 4.726 -12.621 0.532 1.00 61.24 C ATOM 1527 NZ LYS A 94 4.990 -14.048 0.200 1.00 1.22 N ATOM 0 H LYS A 94 9.032 -8.684 -0.214 1.00 12.45 H new ATOM 0 HA LYS A 94 7.338 -9.589 0.948 1.00 22.31 H new ATOM 0 HB2 LYS A 94 8.737 -11.715 0.206 1.00 72.35 H new ATOM 0 HB3 LYS A 94 9.109 -11.830 1.915 1.00 72.35 H new ATOM 0 HG2 LYS A 94 7.202 -13.253 1.390 1.00 52.02 H new ATOM 0 HG3 LYS A 94 6.690 -11.952 2.448 1.00 52.02 H new ATOM 0 HD2 LYS A 94 5.722 -10.717 0.573 1.00 3.24 H new ATOM 0 HD3 LYS A 94 6.393 -11.850 -0.583 1.00 3.24 H new ATOM 0 HE2 LYS A 94 4.328 -12.552 1.544 1.00 61.24 H new ATOM 0 HE3 LYS A 94 3.961 -12.229 -0.138 1.00 61.24 H new ATOM 0 HZ1 LYS A 94 4.088 -14.539 0.038 1.00 1.22 H new ATOM 0 HZ2 LYS A 94 5.573 -14.102 -0.659 1.00 1.22 H new ATOM 0 HZ3 LYS A 94 5.493 -14.501 0.989 1.00 1.22 H new ATOM 1541 N GLN A 95 8.933 -8.242 2.974 1.00 63.41 N ATOM 1542 CA GLN A 95 9.177 -7.673 4.309 1.00 10.55 C ATOM 1543 C GLN A 95 8.006 -6.758 4.732 1.00 53.54 C ATOM 1544 O GLN A 95 7.367 -6.125 3.889 1.00 42.12 O ATOM 1545 CB GLN A 95 10.517 -6.902 4.297 1.00 62.13 C ATOM 1546 CG GLN A 95 11.204 -6.772 5.664 1.00 42.51 C ATOM 1547 CD GLN A 95 10.612 -5.691 6.559 1.00 72.34 C ATOM 1548 OE1 GLN A 95 10.595 -5.815 7.779 1.00 0.34 O ATOM 1549 NE2 GLN A 95 10.142 -4.617 5.963 1.00 71.21 N ATOM 0 H GLN A 95 9.179 -7.615 2.208 1.00 63.41 H new ATOM 0 HA GLN A 95 9.242 -8.478 5.042 1.00 10.55 H new ATOM 0 HB2 GLN A 95 11.200 -7.402 3.610 1.00 62.13 H new ATOM 0 HB3 GLN A 95 10.340 -5.903 3.900 1.00 62.13 H new ATOM 0 HG2 GLN A 95 11.144 -7.730 6.181 1.00 42.51 H new ATOM 0 HG3 GLN A 95 12.262 -6.560 5.508 1.00 42.51 H new ATOM 0 HE21 GLN A 95 10.171 -4.544 4.946 1.00 71.21 H new ATOM 0 HE22 GLN A 95 9.749 -3.857 6.518 1.00 71.21 H new ATOM 1558 N VAL A 96 7.747 -6.684 6.038 1.00 53.42 N ATOM 1559 CA VAL A 96 6.571 -5.970 6.571 1.00 14.44 C ATOM 1560 C VAL A 96 6.531 -4.476 6.189 1.00 62.02 C ATOM 1561 O VAL A 96 7.562 -3.841 5.950 1.00 43.52 O ATOM 1562 CB VAL A 96 6.494 -6.087 8.118 1.00 74.12 C ATOM 1563 CG1 VAL A 96 6.591 -7.547 8.557 1.00 3.50 C ATOM 1564 CG2 VAL A 96 7.575 -5.246 8.794 1.00 32.33 C ATOM 0 H VAL A 96 8.335 -7.110 6.755 1.00 53.42 H new ATOM 0 HA VAL A 96 5.712 -6.457 6.110 1.00 14.44 H new ATOM 0 HB VAL A 96 5.525 -5.698 8.432 1.00 74.12 H new ATOM 0 HG11 VAL A 96 6.535 -7.605 9.644 1.00 3.50 H new ATOM 0 HG12 VAL A 96 5.768 -8.114 8.121 1.00 3.50 H new ATOM 0 HG13 VAL A 96 7.539 -7.966 8.220 1.00 3.50 H new ATOM 0 HG21 VAL A 96 7.493 -5.350 9.876 1.00 32.33 H new ATOM 0 HG22 VAL A 96 8.558 -5.588 8.470 1.00 32.33 H new ATOM 0 HG23 VAL A 96 7.446 -4.199 8.519 1.00 32.33 H new ATOM 1574 N ILE A 97 5.321 -3.925 6.138 1.00 24.12 N ATOM 1575 CA ILE A 97 5.119 -2.500 5.846 1.00 42.50 C ATOM 1576 C ILE A 97 5.500 -1.619 7.050 1.00 44.31 C ATOM 1577 O ILE A 97 6.492 -0.891 7.004 1.00 71.25 O ATOM 1578 CB ILE A 97 3.647 -2.226 5.431 1.00 43.00 C ATOM 1579 CG1 ILE A 97 3.317 -2.974 4.129 1.00 61.52 C ATOM 1580 CG2 ILE A 97 3.388 -0.729 5.268 1.00 32.45 C ATOM 1581 CD1 ILE A 97 4.170 -2.548 2.951 1.00 53.21 C ATOM 0 H ILE A 97 4.457 -4.444 6.296 1.00 24.12 H new ATOM 0 HA ILE A 97 5.774 -2.241 5.014 1.00 42.50 H new ATOM 0 HB ILE A 97 2.996 -2.592 6.225 1.00 43.00 H new ATOM 0 HG12 ILE A 97 3.446 -4.044 4.292 1.00 61.52 H new ATOM 0 HG13 ILE A 97 2.267 -2.813 3.884 1.00 61.52 H new ATOM 0 HG21 ILE A 97 2.350 -0.569 4.977 1.00 32.45 H new ATOM 0 HG22 ILE A 97 3.583 -0.221 6.213 1.00 32.45 H new ATOM 0 HG23 ILE A 97 4.046 -0.328 4.498 1.00 32.45 H new ATOM 0 HD11 ILE A 97 3.881 -3.118 2.068 1.00 53.21 H new ATOM 0 HD12 ILE A 97 4.023 -1.485 2.761 1.00 53.21 H new ATOM 0 HD13 ILE A 97 5.220 -2.735 3.176 1.00 53.21 H new ATOM 1593 N THR A 98 4.704 -1.682 8.118 1.00 63.13 N ATOM 1594 CA THR A 98 5.014 -0.964 9.365 1.00 0.01 C ATOM 1595 C THR A 98 5.210 -1.951 10.518 1.00 52.35 C ATOM 1596 O THR A 98 4.451 -2.912 10.658 1.00 40.31 O ATOM 1597 CB THR A 98 3.902 0.037 9.768 1.00 54.24 C ATOM 1598 OG1 THR A 98 2.685 -0.660 10.090 1.00 10.13 O ATOM 1599 CG2 THR A 98 3.625 1.037 8.651 1.00 40.41 C ATOM 0 H THR A 98 3.839 -2.221 8.149 1.00 63.13 H new ATOM 0 HA THR A 98 5.931 -0.406 9.174 1.00 0.01 H new ATOM 0 HB THR A 98 4.256 0.578 10.645 1.00 54.24 H new ATOM 0 HG1 THR A 98 1.972 -0.372 9.482 1.00 10.13 H new ATOM 0 HG21 THR A 98 2.840 1.725 8.965 1.00 40.41 H new ATOM 0 HG22 THR A 98 4.533 1.598 8.432 1.00 40.41 H new ATOM 0 HG23 THR A 98 3.303 0.504 7.757 1.00 40.41 H new ATOM 1607 N LYS A 99 6.220 -1.711 11.349 1.00 12.15 N ATOM 1608 CA LYS A 99 6.522 -2.602 12.477 1.00 1.33 C ATOM 1609 C LYS A 99 5.460 -2.488 13.582 1.00 31.02 C ATOM 1610 O LYS A 99 5.352 -3.360 14.449 1.00 73.24 O ATOM 1611 CB LYS A 99 7.923 -2.309 13.041 1.00 31.01 C ATOM 1612 CG LYS A 99 9.068 -2.805 12.154 1.00 53.44 C ATOM 1613 CD LYS A 99 9.113 -2.094 10.803 1.00 61.13 C ATOM 1614 CE LYS A 99 10.146 -2.713 9.869 1.00 4.51 C ATOM 1615 NZ LYS A 99 11.526 -2.619 10.417 1.00 1.42 N ATOM 0 H LYS A 99 6.845 -0.909 11.267 1.00 12.15 H new ATOM 0 HA LYS A 99 6.506 -3.626 12.104 1.00 1.33 H new ATOM 0 HB2 LYS A 99 8.028 -1.234 13.184 1.00 31.01 H new ATOM 0 HB3 LYS A 99 8.012 -2.772 14.024 1.00 31.01 H new ATOM 0 HG2 LYS A 99 10.015 -2.654 12.672 1.00 53.44 H new ATOM 0 HG3 LYS A 99 8.960 -3.878 11.993 1.00 53.44 H new ATOM 0 HD2 LYS A 99 8.129 -2.139 10.336 1.00 61.13 H new ATOM 0 HD3 LYS A 99 9.346 -1.040 10.955 1.00 61.13 H new ATOM 0 HE2 LYS A 99 9.896 -3.760 9.696 1.00 4.51 H new ATOM 0 HE3 LYS A 99 10.106 -2.212 8.902 1.00 4.51 H new ATOM 0 HZ1 LYS A 99 12.202 -2.991 9.720 1.00 1.42 H new ATOM 0 HZ2 LYS A 99 11.751 -1.625 10.622 1.00 1.42 H new ATOM 0 HZ3 LYS A 99 11.590 -3.176 11.293 1.00 1.42 H new ATOM 1629 N LYS A 100 4.683 -1.411 13.544 1.00 42.21 N ATOM 1630 CA LYS A 100 3.534 -1.246 14.440 1.00 43.41 C ATOM 1631 C LYS A 100 2.412 -2.250 14.113 1.00 73.42 C ATOM 1632 O LYS A 100 1.487 -2.439 14.904 1.00 23.11 O ATOM 1633 CB LYS A 100 2.986 0.185 14.346 1.00 31.44 C ATOM 1634 CG LYS A 100 3.981 1.253 14.799 1.00 72.12 C ATOM 1635 CD LYS A 100 3.436 2.669 14.624 1.00 64.14 C ATOM 1636 CE LYS A 100 2.189 2.909 15.466 1.00 45.35 C ATOM 1637 NZ LYS A 100 2.445 2.713 16.918 1.00 31.55 N ATOM 0 H LYS A 100 4.826 -0.633 12.900 1.00 42.21 H new ATOM 0 HA LYS A 100 3.880 -1.439 15.455 1.00 43.41 H new ATOM 0 HB2 LYS A 100 2.694 0.386 13.315 1.00 31.44 H new ATOM 0 HB3 LYS A 100 2.084 0.260 14.953 1.00 31.44 H new ATOM 0 HG2 LYS A 100 4.232 1.090 15.847 1.00 72.12 H new ATOM 0 HG3 LYS A 100 4.905 1.149 14.230 1.00 72.12 H new ATOM 0 HD2 LYS A 100 4.205 3.390 14.901 1.00 64.14 H new ATOM 0 HD3 LYS A 100 3.202 2.840 13.573 1.00 64.14 H new ATOM 0 HE2 LYS A 100 1.828 3.923 15.296 1.00 45.35 H new ATOM 0 HE3 LYS A 100 1.399 2.231 15.143 1.00 45.35 H new ATOM 0 HZ1 LYS A 100 1.632 3.063 17.464 1.00 31.55 H new ATOM 0 HZ2 LYS A 100 2.583 1.701 17.113 1.00 31.55 H new ATOM 0 HZ3 LYS A 100 3.300 3.238 17.194 1.00 31.55 H new ATOM 1651 N SER A 101 2.490 -2.877 12.939 1.00 25.13 N ATOM 1652 CA SER A 101 1.485 -3.865 12.512 1.00 23.31 C ATOM 1653 C SER A 101 2.122 -5.232 12.223 1.00 42.44 C ATOM 1654 O SER A 101 1.765 -6.244 12.834 1.00 3.02 O ATOM 1655 CB SER A 101 0.750 -3.372 11.257 1.00 53.44 C ATOM 1656 OG SER A 101 1.627 -3.286 10.140 1.00 53.45 O ATOM 0 H SER A 101 3.237 -2.722 12.263 1.00 25.13 H new ATOM 0 HA SER A 101 0.776 -3.982 13.332 1.00 23.31 H new ATOM 0 HB2 SER A 101 -0.071 -4.050 11.025 1.00 53.44 H new ATOM 0 HB3 SER A 101 0.310 -2.394 11.452 1.00 53.44 H new ATOM 0 HG SER A 101 2.011 -2.385 10.094 1.00 53.45 H new ATOM 1662 N GLY A 102 3.062 -5.253 11.281 1.00 23.43 N ATOM 1663 CA GLY A 102 3.706 -6.497 10.876 1.00 0.04 C ATOM 1664 C GLY A 102 3.027 -7.152 9.675 1.00 23.23 C ATOM 1665 O GLY A 102 3.130 -8.363 9.480 1.00 12.04 O ATOM 0 H GLY A 102 3.393 -4.425 10.786 1.00 23.43 H new ATOM 0 HA2 GLY A 102 4.750 -6.298 10.633 1.00 0.04 H new ATOM 0 HA3 GLY A 102 3.701 -7.193 11.715 1.00 0.04 H new ATOM 1669 N VAL A 103 2.333 -6.347 8.868 1.00 52.25 N ATOM 1670 CA VAL A 103 1.621 -6.855 7.689 1.00 74.02 C ATOM 1671 C VAL A 103 2.546 -6.956 6.460 1.00 73.20 C ATOM 1672 O VAL A 103 3.352 -6.060 6.197 1.00 62.12 O ATOM 1673 CB VAL A 103 0.407 -5.957 7.340 1.00 43.40 C ATOM 1674 CG1 VAL A 103 -0.378 -6.536 6.163 1.00 32.02 C ATOM 1675 CG2 VAL A 103 -0.495 -5.769 8.561 1.00 33.33 C ATOM 0 H VAL A 103 2.248 -5.340 9.008 1.00 52.25 H new ATOM 0 HA VAL A 103 1.270 -7.855 7.944 1.00 74.02 H new ATOM 0 HB VAL A 103 0.782 -4.978 7.043 1.00 43.40 H new ATOM 0 HG11 VAL A 103 -1.225 -5.888 5.937 1.00 32.02 H new ATOM 0 HG12 VAL A 103 0.271 -6.602 5.290 1.00 32.02 H new ATOM 0 HG13 VAL A 103 -0.741 -7.531 6.422 1.00 32.02 H new ATOM 0 HG21 VAL A 103 -1.341 -5.136 8.294 1.00 33.33 H new ATOM 0 HG22 VAL A 103 -0.860 -6.740 8.897 1.00 33.33 H new ATOM 0 HG23 VAL A 103 0.072 -5.298 9.363 1.00 33.33 H new ATOM 1685 N VAL A 104 2.414 -8.051 5.707 1.00 62.31 N ATOM 1686 CA VAL A 104 3.250 -8.303 4.524 1.00 12.34 C ATOM 1687 C VAL A 104 2.436 -8.175 3.218 1.00 54.05 C ATOM 1688 O VAL A 104 1.223 -8.377 3.210 1.00 41.12 O ATOM 1689 CB VAL A 104 3.884 -9.717 4.602 1.00 2.55 C ATOM 1690 CG1 VAL A 104 4.817 -9.975 3.422 1.00 14.24 C ATOM 1691 CG2 VAL A 104 4.621 -9.910 5.926 1.00 51.13 C ATOM 0 H VAL A 104 1.731 -8.785 5.896 1.00 62.31 H new ATOM 0 HA VAL A 104 4.038 -7.550 4.514 1.00 12.34 H new ATOM 0 HB VAL A 104 3.074 -10.445 4.551 1.00 2.55 H new ATOM 0 HG11 VAL A 104 5.244 -10.974 3.508 1.00 14.24 H new ATOM 0 HG12 VAL A 104 4.256 -9.899 2.491 1.00 14.24 H new ATOM 0 HG13 VAL A 104 5.619 -9.236 3.424 1.00 14.24 H new ATOM 0 HG21 VAL A 104 5.057 -10.909 5.958 1.00 51.13 H new ATOM 0 HG22 VAL A 104 5.412 -9.166 6.014 1.00 51.13 H new ATOM 0 HG23 VAL A 104 3.920 -9.794 6.753 1.00 51.13 H new ATOM 1701 N LEU A 105 3.114 -7.842 2.114 1.00 5.34 N ATOM 1702 CA LEU A 105 2.455 -7.679 0.807 1.00 33.35 C ATOM 1703 C LEU A 105 2.477 -8.975 -0.021 1.00 73.01 C ATOM 1704 O LEU A 105 3.545 -9.499 -0.348 1.00 63.45 O ATOM 1705 CB LEU A 105 3.135 -6.562 0.003 1.00 51.22 C ATOM 1706 CG LEU A 105 3.113 -5.166 0.643 1.00 30.40 C ATOM 1707 CD1 LEU A 105 3.791 -4.145 -0.271 1.00 64.22 C ATOM 1708 CD2 LEU A 105 1.681 -4.741 0.970 1.00 65.21 C ATOM 0 H LEU A 105 4.121 -7.679 2.097 1.00 5.34 H new ATOM 0 HA LEU A 105 1.415 -7.420 1.008 1.00 33.35 H new ATOM 0 HB2 LEU A 105 4.173 -6.845 -0.169 1.00 51.22 H new ATOM 0 HB3 LEU A 105 2.655 -6.500 -0.974 1.00 51.22 H new ATOM 0 HG LEU A 105 3.672 -5.209 1.578 1.00 30.40 H new ATOM 0 HD11 LEU A 105 3.766 -3.162 0.199 1.00 64.22 H new ATOM 0 HD12 LEU A 105 4.827 -4.440 -0.440 1.00 64.22 H new ATOM 0 HD13 LEU A 105 3.265 -4.104 -1.225 1.00 64.22 H new ATOM 0 HD21 LEU A 105 1.690 -3.749 1.422 1.00 65.21 H new ATOM 0 HD22 LEU A 105 1.091 -4.717 0.054 1.00 65.21 H new ATOM 0 HD23 LEU A 105 1.240 -5.454 1.667 1.00 65.21 H new ATOM 1720 N LEU A 106 1.294 -9.489 -0.351 1.00 63.11 N ATOM 1721 CA LEU A 106 1.164 -10.651 -1.242 1.00 61.52 C ATOM 1722 C LEU A 106 -0.074 -10.519 -2.150 1.00 0.41 C ATOM 1723 O LEU A 106 -1.048 -9.881 -1.777 1.00 42.24 O ATOM 1724 CB LEU A 106 1.112 -11.967 -0.441 1.00 20.31 C ATOM 1725 CG LEU A 106 0.018 -12.071 0.642 1.00 62.50 C ATOM 1726 CD1 LEU A 106 -0.168 -13.519 1.080 1.00 33.20 C ATOM 1727 CD2 LEU A 106 0.349 -11.196 1.855 1.00 14.32 C ATOM 0 H LEU A 106 0.404 -9.120 -0.015 1.00 63.11 H new ATOM 0 HA LEU A 106 2.050 -10.677 -1.877 1.00 61.52 H new ATOM 0 HB2 LEU A 106 0.976 -12.789 -1.144 1.00 20.31 H new ATOM 0 HB3 LEU A 106 2.080 -12.114 0.037 1.00 20.31 H new ATOM 0 HG LEU A 106 -0.913 -11.710 0.205 1.00 62.50 H new ATOM 0 HD11 LEU A 106 -0.944 -13.571 1.844 1.00 33.20 H new ATOM 0 HD12 LEU A 106 -0.462 -14.124 0.222 1.00 33.20 H new ATOM 0 HD13 LEU A 106 0.769 -13.899 1.487 1.00 33.20 H new ATOM 0 HD21 LEU A 106 -0.441 -11.292 2.599 1.00 14.32 H new ATOM 0 HD22 LEU A 106 1.296 -11.518 2.288 1.00 14.32 H new ATOM 0 HD23 LEU A 106 0.428 -10.155 1.542 1.00 14.32 H new ATOM 1739 N ASN A 107 -0.008 -11.128 -3.342 1.00 53.24 N ATOM 1740 CA ASN A 107 -1.091 -11.075 -4.354 1.00 3.41 C ATOM 1741 C ASN A 107 -1.752 -9.679 -4.495 1.00 21.24 C ATOM 1742 O ASN A 107 -2.768 -9.387 -3.866 1.00 73.20 O ATOM 1743 CB ASN A 107 -2.156 -12.170 -4.117 1.00 24.51 C ATOM 1744 CG ASN A 107 -2.751 -12.176 -2.715 1.00 2.11 C ATOM 1745 OD1 ASN A 107 -2.284 -12.888 -1.832 1.00 45.23 O ATOM 1746 ND2 ASN A 107 -3.790 -11.395 -2.500 1.00 40.42 N ATOM 0 H ASN A 107 0.799 -11.676 -3.640 1.00 53.24 H new ATOM 0 HA ASN A 107 -0.599 -11.274 -5.306 1.00 3.41 H new ATOM 0 HB2 ASN A 107 -2.961 -12.039 -4.840 1.00 24.51 H new ATOM 0 HB3 ASN A 107 -1.708 -13.144 -4.312 1.00 24.51 H new ATOM 0 HD21 ASN A 107 -4.228 -11.371 -1.579 1.00 40.42 H new ATOM 0 HD22 ASN A 107 -4.156 -10.814 -3.254 1.00 40.42 H new ATOM 1753 N PRO A 108 -1.182 -8.799 -5.345 1.00 20.22 N ATOM 1754 CA PRO A 108 -1.734 -7.448 -5.575 1.00 72.23 C ATOM 1755 C PRO A 108 -3.056 -7.464 -6.368 1.00 31.13 C ATOM 1756 O PRO A 108 -3.213 -8.226 -7.327 1.00 25.32 O ATOM 1757 CB PRO A 108 -0.626 -6.751 -6.377 1.00 10.42 C ATOM 1758 CG PRO A 108 0.096 -7.859 -7.071 1.00 11.21 C ATOM 1759 CD PRO A 108 0.037 -9.043 -6.143 1.00 3.34 C ATOM 0 HA PRO A 108 -1.986 -6.948 -4.640 1.00 72.23 H new ATOM 0 HB2 PRO A 108 -1.042 -6.041 -7.092 1.00 10.42 H new ATOM 0 HB3 PRO A 108 0.043 -6.191 -5.724 1.00 10.42 H new ATOM 0 HG2 PRO A 108 -0.373 -8.090 -8.028 1.00 11.21 H new ATOM 0 HG3 PRO A 108 1.128 -7.580 -7.281 1.00 11.21 H new ATOM 0 HD2 PRO A 108 -0.026 -9.981 -6.694 1.00 3.34 H new ATOM 0 HD3 PRO A 108 0.924 -9.102 -5.512 1.00 3.34 H new ATOM 1767 N ILE A 109 -4.003 -6.613 -5.963 1.00 22.14 N ATOM 1768 CA ILE A 109 -5.309 -6.527 -6.630 1.00 14.44 C ATOM 1769 C ILE A 109 -5.193 -5.895 -8.034 1.00 23.14 C ATOM 1770 O ILE A 109 -4.858 -4.712 -8.161 1.00 25.42 O ATOM 1771 CB ILE A 109 -6.318 -5.711 -5.778 1.00 73.11 C ATOM 1772 CG1 ILE A 109 -6.544 -6.400 -4.419 1.00 41.30 C ATOM 1773 CG2 ILE A 109 -7.645 -5.524 -6.521 1.00 62.43 C ATOM 1774 CD1 ILE A 109 -7.092 -7.811 -4.532 1.00 55.41 C ATOM 0 H ILE A 109 -3.891 -5.973 -5.177 1.00 22.14 H new ATOM 0 HA ILE A 109 -5.675 -7.548 -6.739 1.00 14.44 H new ATOM 0 HB ILE A 109 -5.896 -4.721 -5.602 1.00 73.11 H new ATOM 0 HG12 ILE A 109 -5.600 -6.429 -3.875 1.00 41.30 H new ATOM 0 HG13 ILE A 109 -7.234 -5.798 -3.827 1.00 41.30 H new ATOM 0 HG21 ILE A 109 -8.332 -4.949 -5.900 1.00 62.43 H new ATOM 0 HG22 ILE A 109 -7.467 -4.991 -7.455 1.00 62.43 H new ATOM 0 HG23 ILE A 109 -8.081 -6.499 -6.738 1.00 62.43 H new ATOM 0 HD11 ILE A 109 -7.225 -8.231 -3.535 1.00 55.41 H new ATOM 0 HD12 ILE A 109 -8.052 -7.788 -5.047 1.00 55.41 H new ATOM 0 HD13 ILE A 109 -6.393 -8.429 -5.096 1.00 55.41 H new ATOM 1786 N PRO A 110 -5.492 -6.680 -9.100 1.00 40.23 N ATOM 1787 CA PRO A 110 -5.333 -6.240 -10.503 1.00 44.51 C ATOM 1788 C PRO A 110 -5.941 -4.857 -10.805 1.00 22.24 C ATOM 1789 O PRO A 110 -7.062 -4.549 -10.396 1.00 3.15 O ATOM 1790 CB PRO A 110 -6.066 -7.331 -11.296 1.00 53.11 C ATOM 1791 CG PRO A 110 -5.949 -8.549 -10.445 1.00 24.00 C ATOM 1792 CD PRO A 110 -6.015 -8.062 -9.021 1.00 60.22 C ATOM 0 HA PRO A 110 -4.280 -6.121 -10.757 1.00 44.51 H new ATOM 0 HB2 PRO A 110 -7.109 -7.065 -11.468 1.00 53.11 H new ATOM 0 HB3 PRO A 110 -5.611 -7.485 -12.275 1.00 53.11 H new ATOM 0 HG2 PRO A 110 -6.755 -9.252 -10.656 1.00 24.00 H new ATOM 0 HG3 PRO A 110 -5.012 -9.071 -10.637 1.00 24.00 H new ATOM 0 HD2 PRO A 110 -7.035 -8.083 -8.637 1.00 60.22 H new ATOM 0 HD3 PRO A 110 -5.412 -8.681 -8.357 1.00 60.22 H new