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 68 TYR OH : rot -129:sc= 0.285 USER MOD Set 1.2: A 71 ASN : amide:sc= 0.417 K(o=0.7,f=-0.47) USER MOD Set 2.1: A 54 SER OG : rot -85:sc= 1.19 USER MOD Set 2.2: A 63 HIS : no HD1:sc= 0.986 K(o=2.2,f=-3.1!) USER MOD Set 3.1: A 20 TYR OH : rot 29:sc= 0.0835 USER MOD Set 3.2: A 51 TYR OH : rot 166:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0592 X(o=-0.059,f=-0.2) USER MOD Single : A 21 HIS : no HD1:sc= 1.16 K(o=1.2,f=-3.9!) USER MOD Single : A 30 GLN : amide:sc= -2.96! C(o=-3!,f=-2.3!) 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= -2.92! C(o=-2.9!,f=-4.6!) USER MOD Single : A 44 SER OG : rot 149:sc= 0.499 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 84:sc= 1.13 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 67 GLN : amide:sc= -1.02 K(o=-1,f=-2.9) USER MOD Single : A 72 MET CE :methyl -137:sc= -0.365 (180deg=-0.861) 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 53:sc= 0.49 USER MOD Single : A 82 ASN : amide:sc=-0.00483 X(o=-0.0048,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.066) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.5!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -78:sc= 0.593 USER MOD Single : A 93 THR OG1 : rot -68:sc= 1.13 USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= -0.114 (180deg=-0.875!) USER MOD Single : A 95 GLN : amide:sc= -0.731 K(o=-0.73,f=-0.079) USER MOD Single : A 98 THR OG1 : rot -125:sc= 0.225 USER MOD Single : A 99 LYS NZ :NH3+ 164:sc= -0.0605 (180deg=-0.322) USER MOD Single : A 100 LYS NZ :NH3+ 142:sc= 1.06 (180deg=-0.328) USER MOD Single : A 101 SER OG : rot -7:sc= -0.941 USER MOD Single : A 107 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 203 N PRO A 13 5.725 2.906 -14.280 1.00 61.42 N ATOM 204 CA PRO A 13 5.319 4.033 -13.420 1.00 41.42 C ATOM 205 C PRO A 13 4.145 3.657 -12.498 1.00 0.24 C ATOM 206 O PRO A 13 3.470 2.650 -12.720 1.00 30.32 O ATOM 207 CB PRO A 13 4.907 5.124 -14.425 1.00 12.43 C ATOM 208 CG PRO A 13 4.593 4.387 -15.684 1.00 13.31 C ATOM 209 CD PRO A 13 5.525 3.204 -15.710 1.00 52.45 C ATOM 0 HA PRO A 13 6.116 4.350 -12.747 1.00 41.42 H new ATOM 0 HB2 PRO A 13 4.042 5.683 -14.068 1.00 12.43 H new ATOM 0 HB3 PRO A 13 5.711 5.844 -14.579 1.00 12.43 H new ATOM 0 HG2 PRO A 13 3.552 4.065 -15.699 1.00 13.31 H new ATOM 0 HG3 PRO A 13 4.743 5.022 -16.557 1.00 13.31 H new ATOM 0 HD2 PRO A 13 5.088 2.358 -16.241 1.00 52.45 H new ATOM 0 HD3 PRO A 13 6.465 3.442 -16.208 1.00 52.45 H new ATOM 217 N LEU A 14 3.901 4.469 -11.472 1.00 41.05 N ATOM 218 CA LEU A 14 2.842 4.192 -10.491 1.00 25.55 C ATOM 219 C LEU A 14 1.482 3.948 -11.173 1.00 0.43 C ATOM 220 O LEU A 14 0.760 3.016 -10.823 1.00 4.45 O ATOM 221 CB LEU A 14 2.740 5.351 -9.488 1.00 31.43 C ATOM 222 CG LEU A 14 1.718 5.164 -8.356 1.00 72.21 C ATOM 223 CD1 LEU A 14 2.058 3.939 -7.513 1.00 61.23 C ATOM 224 CD2 LEU A 14 1.648 6.420 -7.488 1.00 61.44 C ATOM 0 H LEU A 14 4.421 5.328 -11.294 1.00 41.05 H new ATOM 0 HA LEU A 14 3.108 3.279 -9.959 1.00 25.55 H new ATOM 0 HB2 LEU A 14 3.722 5.510 -9.043 1.00 31.43 H new ATOM 0 HB3 LEU A 14 2.487 6.259 -10.035 1.00 31.43 H new ATOM 0 HG LEU A 14 0.737 5.000 -8.803 1.00 72.21 H new ATOM 0 HD11 LEU A 14 1.320 3.828 -6.718 1.00 61.23 H new ATOM 0 HD12 LEU A 14 2.049 3.050 -8.143 1.00 61.23 H new ATOM 0 HD13 LEU A 14 3.048 4.063 -7.074 1.00 61.23 H new ATOM 0 HD21 LEU A 14 0.920 6.271 -6.691 1.00 61.44 H new ATOM 0 HD22 LEU A 14 2.628 6.616 -7.052 1.00 61.44 H new ATOM 0 HD23 LEU A 14 1.347 7.270 -8.101 1.00 61.44 H new ATOM 236 N ALA A 15 1.156 4.773 -12.165 1.00 71.33 N ATOM 237 CA ALA A 15 -0.101 4.637 -12.913 1.00 64.40 C ATOM 238 C ALA A 15 -0.172 3.313 -13.698 1.00 74.15 C ATOM 239 O ALA A 15 -1.254 2.854 -14.065 1.00 71.25 O ATOM 240 CB ALA A 15 -0.276 5.818 -13.860 1.00 75.15 C ATOM 0 H ALA A 15 1.744 5.547 -12.474 1.00 71.33 H new ATOM 0 HA ALA A 15 -0.913 4.627 -12.186 1.00 64.40 H new ATOM 0 HB1 ALA A 15 -1.211 5.708 -14.410 1.00 75.15 H new ATOM 0 HB2 ALA A 15 -0.300 6.744 -13.286 1.00 75.15 H new ATOM 0 HB3 ALA A 15 0.557 5.848 -14.562 1.00 75.15 H new ATOM 246 N GLU A 16 0.986 2.706 -13.959 1.00 52.30 N ATOM 247 CA GLU A 16 1.058 1.436 -14.697 1.00 11.13 C ATOM 248 C GLU A 16 1.216 0.222 -13.764 1.00 74.24 C ATOM 249 O GLU A 16 1.378 -0.910 -14.224 1.00 44.22 O ATOM 250 CB GLU A 16 2.205 1.478 -15.720 1.00 35.42 C ATOM 251 CG GLU A 16 1.779 1.935 -17.113 1.00 72.35 C ATOM 252 CD GLU A 16 0.880 0.916 -17.803 1.00 73.44 C ATOM 253 OE1 GLU A 16 -0.350 0.943 -17.574 1.00 61.45 O ATOM 254 OE2 GLU A 16 1.407 0.073 -18.562 1.00 42.34 O ATOM 0 H GLU A 16 1.893 3.072 -13.670 1.00 52.30 H new ATOM 0 HA GLU A 16 0.110 1.315 -15.222 1.00 11.13 H new ATOM 0 HB2 GLU A 16 2.982 2.147 -15.351 1.00 35.42 H new ATOM 0 HB3 GLU A 16 2.648 0.485 -15.794 1.00 35.42 H new ATOM 0 HG2 GLU A 16 1.254 2.887 -17.036 1.00 72.35 H new ATOM 0 HG3 GLU A 16 2.665 2.108 -17.724 1.00 72.35 H new ATOM 261 N GLN A 17 1.157 0.458 -12.461 1.00 14.41 N ATOM 262 CA GLN A 17 1.184 -0.627 -11.480 1.00 53.43 C ATOM 263 C GLN A 17 -0.228 -1.194 -11.269 1.00 71.24 C ATOM 264 O GLN A 17 -1.170 -0.449 -11.006 1.00 3.44 O ATOM 265 CB GLN A 17 1.763 -0.121 -10.154 1.00 54.33 C ATOM 266 CG GLN A 17 3.215 0.341 -10.257 1.00 21.32 C ATOM 267 CD GLN A 17 4.182 -0.791 -10.579 1.00 21.11 C ATOM 268 OE1 GLN A 17 3.970 -1.941 -10.199 1.00 3.21 O ATOM 269 NE2 GLN A 17 5.253 -0.478 -11.278 1.00 14.30 N ATOM 0 H GLN A 17 1.090 1.391 -12.054 1.00 14.41 H new ATOM 0 HA GLN A 17 1.821 -1.427 -11.858 1.00 53.43 H new ATOM 0 HB2 GLN A 17 1.152 0.706 -9.793 1.00 54.33 H new ATOM 0 HB3 GLN A 17 1.695 -0.916 -9.411 1.00 54.33 H new ATOM 0 HG2 GLN A 17 3.292 1.107 -11.029 1.00 21.32 H new ATOM 0 HG3 GLN A 17 3.510 0.806 -9.316 1.00 21.32 H new ATOM 0 HE21 GLN A 17 5.402 0.485 -11.579 1.00 14.30 H new ATOM 0 HE22 GLN A 17 5.934 -1.199 -11.518 1.00 14.30 H new ATOM 278 N ASP A 18 -0.366 -2.513 -11.385 1.00 11.13 N ATOM 279 CA ASP A 18 -1.672 -3.170 -11.284 1.00 14.03 C ATOM 280 C ASP A 18 -2.294 -3.014 -9.883 1.00 74.03 C ATOM 281 O ASP A 18 -3.517 -3.002 -9.736 1.00 50.15 O ATOM 282 CB ASP A 18 -1.540 -4.653 -11.656 1.00 10.30 C ATOM 283 CG ASP A 18 -0.475 -5.360 -10.839 1.00 32.12 C ATOM 284 OD1 ASP A 18 0.724 -5.153 -11.120 1.00 30.21 O ATOM 285 OD2 ASP A 18 -0.825 -6.119 -9.914 1.00 25.34 O ATOM 0 H ASP A 18 0.412 -3.152 -11.550 1.00 11.13 H new ATOM 0 HA ASP A 18 -2.346 -2.680 -11.987 1.00 14.03 H new ATOM 0 HB2 ASP A 18 -2.499 -5.149 -11.506 1.00 10.30 H new ATOM 0 HB3 ASP A 18 -1.299 -4.739 -12.715 1.00 10.30 H new ATOM 290 N TRP A 19 -1.446 -2.887 -8.865 1.00 74.54 N ATOM 291 CA TRP A 19 -1.913 -2.684 -7.485 1.00 52.40 C ATOM 292 C TRP A 19 -2.326 -1.223 -7.213 1.00 21.03 C ATOM 293 O TRP A 19 -2.819 -0.901 -6.128 1.00 35.50 O ATOM 294 CB TRP A 19 -0.843 -3.145 -6.477 1.00 40.54 C ATOM 295 CG TRP A 19 0.564 -2.749 -6.832 1.00 42.41 C ATOM 296 CD1 TRP A 19 1.477 -3.507 -7.511 1.00 63.20 C ATOM 297 CD2 TRP A 19 1.220 -1.510 -6.533 1.00 43.34 C ATOM 298 NE1 TRP A 19 2.656 -2.819 -7.646 1.00 72.22 N ATOM 299 CE2 TRP A 19 2.524 -1.591 -7.054 1.00 25.24 C ATOM 300 CE3 TRP A 19 0.832 -0.341 -5.875 1.00 32.04 C ATOM 301 CZ2 TRP A 19 3.441 -0.548 -6.939 1.00 41.31 C ATOM 302 CZ3 TRP A 19 1.743 0.695 -5.761 1.00 52.21 C ATOM 303 CH2 TRP A 19 3.033 0.584 -6.290 1.00 11.34 C ATOM 0 H TRP A 19 -0.431 -2.920 -8.964 1.00 74.54 H new ATOM 0 HA TRP A 19 -2.806 -3.296 -7.356 1.00 52.40 H new ATOM 0 HB2 TRP A 19 -1.086 -2.735 -5.497 1.00 40.54 H new ATOM 0 HB3 TRP A 19 -0.890 -4.230 -6.389 1.00 40.54 H new ATOM 0 HD1 TRP A 19 1.296 -4.503 -7.887 1.00 63.20 H new ATOM 0 HE1 TRP A 19 3.495 -3.166 -8.112 1.00 72.22 H new ATOM 0 HE3 TRP A 19 -0.162 -0.247 -5.462 1.00 32.04 H new ATOM 0 HZ2 TRP A 19 4.437 -0.631 -7.348 1.00 41.31 H new ATOM 0 HZ3 TRP A 19 1.453 1.604 -5.255 1.00 52.21 H new ATOM 0 HH2 TRP A 19 3.721 1.410 -6.184 1.00 11.34 H new ATOM 314 N TYR A 20 -2.136 -0.345 -8.199 1.00 30.15 N ATOM 315 CA TYR A 20 -2.553 1.059 -8.082 1.00 33.51 C ATOM 316 C TYR A 20 -3.916 1.279 -8.759 1.00 64.34 C ATOM 317 O TYR A 20 -4.064 1.073 -9.963 1.00 22.14 O ATOM 318 CB TYR A 20 -1.493 1.988 -8.696 1.00 22.24 C ATOM 319 CG TYR A 20 -1.827 3.465 -8.576 1.00 63.34 C ATOM 320 CD1 TYR A 20 -1.837 4.095 -7.338 1.00 14.33 C ATOM 321 CD2 TYR A 20 -2.138 4.225 -9.700 1.00 54.22 C ATOM 322 CE1 TYR A 20 -2.141 5.439 -7.221 1.00 35.00 C ATOM 323 CE2 TYR A 20 -2.444 5.569 -9.592 1.00 30.14 C ATOM 324 CZ TYR A 20 -2.443 6.172 -8.351 1.00 72.13 C ATOM 325 OH TYR A 20 -2.747 7.514 -8.238 1.00 41.12 O ATOM 0 H TYR A 20 -1.696 -0.578 -9.089 1.00 30.15 H new ATOM 0 HA TYR A 20 -2.653 1.299 -7.023 1.00 33.51 H new ATOM 0 HB2 TYR A 20 -0.535 1.801 -8.211 1.00 22.24 H new ATOM 0 HB3 TYR A 20 -1.371 1.737 -9.750 1.00 22.24 H new ATOM 0 HD1 TYR A 20 -1.603 3.525 -6.451 1.00 14.33 H new ATOM 0 HD2 TYR A 20 -2.140 3.757 -10.673 1.00 54.22 H new ATOM 0 HE1 TYR A 20 -2.142 5.913 -6.250 1.00 35.00 H new ATOM 0 HE2 TYR A 20 -2.683 6.144 -10.475 1.00 30.14 H new ATOM 0 HH TYR A 20 -2.285 7.890 -7.460 1.00 41.12 H new ATOM 335 N HIS A 21 -4.914 1.698 -7.980 1.00 52.22 N ATOM 336 CA HIS A 21 -6.282 1.869 -8.499 1.00 55.23 C ATOM 337 C HIS A 21 -6.712 3.347 -8.562 1.00 41.25 C ATOM 338 O HIS A 21 -7.895 3.649 -8.712 1.00 73.25 O ATOM 339 CB HIS A 21 -7.272 1.070 -7.638 1.00 72.51 C ATOM 340 CG HIS A 21 -7.150 -0.417 -7.799 1.00 40.21 C ATOM 341 ND1 HIS A 21 -8.199 -1.216 -8.197 1.00 63.44 N ATOM 342 CD2 HIS A 21 -6.100 -1.253 -7.609 1.00 55.50 C ATOM 343 CE1 HIS A 21 -7.803 -2.471 -8.247 1.00 35.53 C ATOM 344 NE2 HIS A 21 -6.534 -2.523 -7.898 1.00 70.45 N ATOM 0 H HIS A 21 -4.807 1.926 -6.991 1.00 52.22 H new ATOM 0 HA HIS A 21 -6.288 1.490 -9.521 1.00 55.23 H new ATOM 0 HB2 HIS A 21 -7.117 1.327 -6.590 1.00 72.51 H new ATOM 0 HB3 HIS A 21 -8.288 1.372 -7.894 1.00 72.51 H new ATOM 0 HD2 HIS A 21 -5.107 -0.972 -7.290 1.00 55.50 H new ATOM 0 HE1 HIS A 21 -8.416 -3.315 -8.527 1.00 35.53 H new ATOM 0 HE2 HIS A 21 -5.966 -3.369 -7.850 1.00 70.45 H new ATOM 353 N GLY A 22 -5.750 4.259 -8.461 1.00 22.35 N ATOM 354 CA GLY A 22 -6.057 5.687 -8.549 1.00 50.35 C ATOM 355 C GLY A 22 -6.620 6.274 -7.256 1.00 52.12 C ATOM 356 O GLY A 22 -6.422 5.723 -6.171 1.00 2.43 O ATOM 0 H GLY A 22 -4.763 4.042 -8.320 1.00 22.35 H new ATOM 0 HA2 GLY A 22 -5.151 6.229 -8.819 1.00 50.35 H new ATOM 0 HA3 GLY A 22 -6.775 5.846 -9.353 1.00 50.35 H new ATOM 360 N ALA A 23 -7.321 7.402 -7.365 1.00 1.21 N ATOM 361 CA ALA A 23 -7.898 8.074 -6.193 1.00 1.23 C ATOM 362 C ALA A 23 -9.328 7.598 -5.899 1.00 42.22 C ATOM 363 O ALA A 23 -10.292 8.346 -6.067 1.00 43.31 O ATOM 364 CB ALA A 23 -7.871 9.587 -6.390 1.00 12.11 C ATOM 0 H ALA A 23 -7.505 7.872 -8.251 1.00 1.21 H new ATOM 0 HA ALA A 23 -7.287 7.811 -5.330 1.00 1.23 H new ATOM 0 HB1 ALA A 23 -8.301 10.075 -5.516 1.00 12.11 H new ATOM 0 HB2 ALA A 23 -6.841 9.919 -6.521 1.00 12.11 H new ATOM 0 HB3 ALA A 23 -8.452 9.849 -7.274 1.00 12.11 H new ATOM 370 N ILE A 24 -9.463 6.347 -5.471 1.00 4.35 N ATOM 371 CA ILE A 24 -10.773 5.793 -5.116 1.00 72.21 C ATOM 372 C ILE A 24 -11.094 6.030 -3.629 1.00 60.51 C ATOM 373 O ILE A 24 -10.193 6.073 -2.791 1.00 72.04 O ATOM 374 CB ILE A 24 -10.863 4.276 -5.427 1.00 23.13 C ATOM 375 CG1 ILE A 24 -9.806 3.488 -4.635 1.00 32.42 C ATOM 376 CG2 ILE A 24 -10.714 4.029 -6.927 1.00 62.11 C ATOM 377 CD1 ILE A 24 -9.888 1.986 -4.827 1.00 22.21 C ATOM 0 H ILE A 24 -8.686 5.696 -5.360 1.00 4.35 H new ATOM 0 HA ILE A 24 -11.508 6.316 -5.729 1.00 72.21 H new ATOM 0 HB ILE A 24 -11.846 3.922 -5.116 1.00 23.13 H new ATOM 0 HG12 ILE A 24 -8.814 3.829 -4.933 1.00 32.42 H new ATOM 0 HG13 ILE A 24 -9.916 3.715 -3.575 1.00 32.42 H new ATOM 0 HG21 ILE A 24 -10.779 2.960 -7.128 1.00 62.11 H new ATOM 0 HG22 ILE A 24 -11.509 4.548 -7.462 1.00 62.11 H new ATOM 0 HG23 ILE A 24 -9.747 4.403 -7.263 1.00 62.11 H new ATOM 0 HD11 ILE A 24 -9.111 1.501 -4.237 1.00 22.21 H new ATOM 0 HD12 ILE A 24 -10.866 1.630 -4.502 1.00 22.21 H new ATOM 0 HD13 ILE A 24 -9.747 1.746 -5.881 1.00 22.21 H new ATOM 389 N PRO A 25 -12.388 6.211 -3.288 1.00 3.54 N ATOM 390 CA PRO A 25 -12.824 6.444 -1.894 1.00 70.55 C ATOM 391 C PRO A 25 -12.531 5.268 -0.940 1.00 22.42 C ATOM 392 O PRO A 25 -12.141 4.173 -1.362 1.00 12.22 O ATOM 393 CB PRO A 25 -14.341 6.669 -2.023 1.00 62.22 C ATOM 394 CG PRO A 25 -14.566 6.997 -3.460 1.00 11.34 C ATOM 395 CD PRO A 25 -13.523 6.236 -4.225 1.00 72.43 C ATOM 0 HA PRO A 25 -12.282 7.281 -1.453 1.00 70.55 H new ATOM 0 HB2 PRO A 25 -14.898 5.779 -1.730 1.00 62.22 H new ATOM 0 HB3 PRO A 25 -14.675 7.481 -1.377 1.00 62.22 H new ATOM 0 HG2 PRO A 25 -15.569 6.708 -3.774 1.00 11.34 H new ATOM 0 HG3 PRO A 25 -14.474 8.069 -3.635 1.00 11.34 H new ATOM 0 HD2 PRO A 25 -13.860 5.231 -4.479 1.00 72.43 H new ATOM 0 HD3 PRO A 25 -13.265 6.732 -5.161 1.00 72.43 H new ATOM 403 N ARG A 26 -12.744 5.509 0.356 1.00 43.31 N ATOM 404 CA ARG A 26 -12.458 4.519 1.404 1.00 44.31 C ATOM 405 C ARG A 26 -13.236 3.208 1.196 1.00 44.52 C ATOM 406 O ARG A 26 -12.649 2.121 1.161 1.00 62.42 O ATOM 407 CB ARG A 26 -12.801 5.111 2.779 1.00 60.12 C ATOM 408 CG ARG A 26 -12.552 4.160 3.949 1.00 61.52 C ATOM 409 CD ARG A 26 -13.060 4.736 5.267 1.00 52.23 C ATOM 410 NE ARG A 26 -14.477 5.106 5.187 1.00 22.32 N ATOM 411 CZ ARG A 26 -15.416 4.614 5.955 1.00 10.23 C ATOM 412 NH1 ARG A 26 -15.125 3.804 6.922 1.00 72.11 N ATOM 413 NH2 ARG A 26 -16.646 4.961 5.768 1.00 21.31 N ATOM 0 H ARG A 26 -13.117 6.390 0.710 1.00 43.31 H new ATOM 0 HA ARG A 26 -11.396 4.281 1.350 1.00 44.31 H new ATOM 0 HB2 ARG A 26 -12.213 6.016 2.929 1.00 60.12 H new ATOM 0 HB3 ARG A 26 -13.850 5.408 2.783 1.00 60.12 H new ATOM 0 HG2 ARG A 26 -13.046 3.208 3.755 1.00 61.52 H new ATOM 0 HG3 ARG A 26 -11.484 3.955 4.030 1.00 61.52 H new ATOM 0 HD2 ARG A 26 -12.919 4.004 6.062 1.00 52.23 H new ATOM 0 HD3 ARG A 26 -12.469 5.613 5.533 1.00 52.23 H new ATOM 0 HE ARG A 26 -14.749 5.794 4.485 1.00 22.32 H new ATOM 0 HH11 ARG A 26 -14.154 3.542 7.093 1.00 72.11 H new ATOM 0 HH12 ARG A 26 -15.867 3.428 7.513 1.00 72.11 H new ATOM 0 HH21 ARG A 26 -16.883 5.617 5.024 1.00 21.31 H new ATOM 0 HH22 ARG A 26 -17.380 4.579 6.365 1.00 21.31 H new ATOM 427 N ILE A 27 -14.557 3.318 1.067 1.00 72.50 N ATOM 428 CA ILE A 27 -15.421 2.141 0.909 1.00 72.50 C ATOM 429 C ILE A 27 -15.058 1.337 -0.349 1.00 43.42 C ATOM 430 O ILE A 27 -14.935 0.112 -0.295 1.00 34.15 O ATOM 431 CB ILE A 27 -16.921 2.545 0.875 1.00 75.12 C ATOM 432 CG1 ILE A 27 -17.314 3.215 2.206 1.00 54.20 C ATOM 433 CG2 ILE A 27 -17.814 1.333 0.595 1.00 51.54 C ATOM 434 CD1 ILE A 27 -18.748 3.709 2.254 1.00 53.40 C ATOM 0 H ILE A 27 -15.056 4.208 1.068 1.00 72.50 H new ATOM 0 HA ILE A 27 -15.254 1.504 1.777 1.00 72.50 H new ATOM 0 HB ILE A 27 -17.068 3.257 0.063 1.00 75.12 H new ATOM 0 HG12 ILE A 27 -17.159 2.504 3.017 1.00 54.20 H new ATOM 0 HG13 ILE A 27 -16.645 4.056 2.388 1.00 54.20 H new ATOM 0 HG21 ILE A 27 -18.858 1.646 0.577 1.00 51.54 H new ATOM 0 HG22 ILE A 27 -17.548 0.901 -0.370 1.00 51.54 H new ATOM 0 HG23 ILE A 27 -17.672 0.588 1.378 1.00 51.54 H new ATOM 0 HD11 ILE A 27 -18.943 4.167 3.224 1.00 53.40 H new ATOM 0 HD12 ILE A 27 -18.905 4.446 1.467 1.00 53.40 H new ATOM 0 HD13 ILE A 27 -19.427 2.869 2.106 1.00 53.40 H new ATOM 446 N GLU A 28 -14.867 2.030 -1.470 1.00 41.24 N ATOM 447 CA GLU A 28 -14.445 1.389 -2.725 1.00 42.22 C ATOM 448 C GLU A 28 -13.178 0.530 -2.544 1.00 44.03 C ATOM 449 O GLU A 28 -13.054 -0.542 -3.142 1.00 4.40 O ATOM 450 CB GLU A 28 -14.197 2.456 -3.799 1.00 10.41 C ATOM 451 CG GLU A 28 -15.465 3.131 -4.311 1.00 44.14 C ATOM 452 CD GLU A 28 -16.333 2.200 -5.146 1.00 53.51 C ATOM 453 OE1 GLU A 28 -16.108 2.113 -6.372 1.00 14.54 O ATOM 454 OE2 GLU A 28 -17.236 1.542 -4.582 1.00 15.33 O ATOM 0 H GLU A 28 -14.997 3.039 -1.540 1.00 41.24 H new ATOM 0 HA GLU A 28 -15.251 0.725 -3.038 1.00 42.22 H new ATOM 0 HB2 GLU A 28 -13.532 3.218 -3.392 1.00 10.41 H new ATOM 0 HB3 GLU A 28 -13.678 1.996 -4.640 1.00 10.41 H new ATOM 0 HG2 GLU A 28 -16.044 3.497 -3.463 1.00 44.14 H new ATOM 0 HG3 GLU A 28 -15.192 4.000 -4.910 1.00 44.14 H new ATOM 461 N ALA A 29 -12.244 1.006 -1.723 1.00 25.30 N ATOM 462 CA ALA A 29 -10.999 0.275 -1.465 1.00 51.34 C ATOM 463 C ALA A 29 -11.229 -0.981 -0.604 1.00 23.02 C ATOM 464 O ALA A 29 -10.770 -2.071 -0.941 1.00 3.01 O ATOM 465 CB ALA A 29 -9.987 1.196 -0.795 1.00 71.43 C ATOM 0 H ALA A 29 -12.323 1.892 -1.225 1.00 25.30 H new ATOM 0 HA ALA A 29 -10.609 -0.061 -2.426 1.00 51.34 H new ATOM 0 HB1 ALA A 29 -9.065 0.647 -0.606 1.00 71.43 H new ATOM 0 HB2 ALA A 29 -9.778 2.043 -1.448 1.00 71.43 H new ATOM 0 HB3 ALA A 29 -10.394 1.558 0.149 1.00 71.43 H new ATOM 471 N GLN A 30 -11.948 -0.821 0.506 1.00 3.33 N ATOM 472 CA GLN A 30 -12.172 -1.922 1.455 1.00 63.32 C ATOM 473 C GLN A 30 -13.080 -3.021 0.864 1.00 53.24 C ATOM 474 O GLN A 30 -12.989 -4.189 1.256 1.00 51.43 O ATOM 475 CB GLN A 30 -12.737 -1.375 2.783 1.00 62.51 C ATOM 476 CG GLN A 30 -14.118 -0.726 2.686 1.00 53.25 C ATOM 477 CD GLN A 30 -15.257 -1.732 2.757 1.00 14.12 C ATOM 478 OE1 GLN A 30 -15.159 -2.755 3.425 1.00 13.14 O ATOM 479 NE2 GLN A 30 -16.331 -1.460 2.052 1.00 31.04 N ATOM 0 H GLN A 30 -12.388 0.059 0.775 1.00 3.33 H new ATOM 0 HA GLN A 30 -11.209 -2.391 1.656 1.00 63.32 H new ATOM 0 HB2 GLN A 30 -12.787 -2.193 3.502 1.00 62.51 H new ATOM 0 HB3 GLN A 30 -12.036 -0.642 3.183 1.00 62.51 H new ATOM 0 HG2 GLN A 30 -14.230 -0.002 3.493 1.00 53.25 H new ATOM 0 HG3 GLN A 30 -14.188 -0.173 1.749 1.00 53.25 H new ATOM 0 HE21 GLN A 30 -16.379 -0.599 1.507 1.00 31.04 H new ATOM 0 HE22 GLN A 30 -17.117 -2.110 2.049 1.00 31.04 H new ATOM 488 N GLU A 31 -13.956 -2.633 -0.067 1.00 53.15 N ATOM 489 CA GLU A 31 -14.878 -3.573 -0.732 1.00 62.15 C ATOM 490 C GLU A 31 -14.145 -4.696 -1.490 1.00 1.32 C ATOM 491 O GLU A 31 -14.590 -5.846 -1.490 1.00 31.12 O ATOM 492 CB GLU A 31 -15.791 -2.819 -1.713 1.00 33.32 C ATOM 493 CG GLU A 31 -16.922 -2.035 -1.054 1.00 3.43 C ATOM 494 CD GLU A 31 -18.024 -2.932 -0.510 1.00 11.22 C ATOM 495 OE1 GLU A 31 -18.920 -3.316 -1.293 1.00 10.13 O ATOM 496 OE2 GLU A 31 -18.002 -3.260 0.695 1.00 22.40 O ATOM 0 H GLU A 31 -14.050 -1.668 -0.383 1.00 53.15 H new ATOM 0 HA GLU A 31 -15.468 -4.037 0.058 1.00 62.15 H new ATOM 0 HB2 GLU A 31 -15.182 -2.130 -2.299 1.00 33.32 H new ATOM 0 HB3 GLU A 31 -16.223 -3.536 -2.411 1.00 33.32 H new ATOM 0 HG2 GLU A 31 -16.515 -1.434 -0.241 1.00 3.43 H new ATOM 0 HG3 GLU A 31 -17.349 -1.343 -1.780 1.00 3.43 H new ATOM 503 N LEU A 32 -13.030 -4.365 -2.145 1.00 65.11 N ATOM 504 CA LEU A 32 -12.324 -5.344 -2.987 1.00 2.54 C ATOM 505 C LEU A 32 -11.418 -6.271 -2.160 1.00 31.31 C ATOM 506 O LEU A 32 -11.185 -7.415 -2.548 1.00 74.21 O ATOM 507 CB LEU A 32 -11.528 -4.625 -4.092 1.00 21.42 C ATOM 508 CG LEU A 32 -10.334 -3.762 -3.632 1.00 22.43 C ATOM 509 CD1 LEU A 32 -9.046 -4.583 -3.572 1.00 45.42 C ATOM 510 CD2 LEU A 32 -10.163 -2.555 -4.550 1.00 64.51 C ATOM 0 H LEU A 32 -12.598 -3.441 -2.113 1.00 65.11 H new ATOM 0 HA LEU A 32 -13.075 -5.979 -3.458 1.00 2.54 H new ATOM 0 HB2 LEU A 32 -11.157 -5.377 -4.789 1.00 21.42 H new ATOM 0 HB3 LEU A 32 -12.216 -3.987 -4.647 1.00 21.42 H new ATOM 0 HG LEU A 32 -10.546 -3.404 -2.624 1.00 22.43 H new ATOM 0 HD11 LEU A 32 -8.224 -3.947 -3.245 1.00 45.42 H new ATOM 0 HD12 LEU A 32 -9.171 -5.405 -2.867 1.00 45.42 H new ATOM 0 HD13 LEU A 32 -8.823 -4.983 -4.561 1.00 45.42 H new ATOM 0 HD21 LEU A 32 -9.317 -1.957 -4.211 1.00 64.51 H new ATOM 0 HD22 LEU A 32 -9.982 -2.896 -5.569 1.00 64.51 H new ATOM 0 HD23 LEU A 32 -11.068 -1.948 -4.526 1.00 64.51 H new ATOM 522 N LEU A 33 -10.920 -5.773 -1.026 1.00 42.25 N ATOM 523 CA LEU A 33 -10.075 -6.570 -0.121 1.00 74.33 C ATOM 524 C LEU A 33 -10.812 -7.838 0.346 1.00 23.25 C ATOM 525 O LEU A 33 -11.675 -7.784 1.230 1.00 1.21 O ATOM 526 CB LEU A 33 -9.661 -5.715 1.084 1.00 23.13 C ATOM 527 CG LEU A 33 -8.897 -4.422 0.735 1.00 2.30 C ATOM 528 CD1 LEU A 33 -8.686 -3.555 1.972 1.00 34.01 C ATOM 529 CD2 LEU A 33 -7.560 -4.744 0.076 1.00 21.53 C ATOM 0 H LEU A 33 -11.086 -4.818 -0.708 1.00 42.25 H new ATOM 0 HA LEU A 33 -9.182 -6.883 -0.662 1.00 74.33 H new ATOM 0 HB2 LEU A 33 -10.556 -5.449 1.646 1.00 23.13 H new ATOM 0 HB3 LEU A 33 -9.038 -6.320 1.743 1.00 23.13 H new ATOM 0 HG LEU A 33 -9.505 -3.859 0.027 1.00 2.30 H new ATOM 0 HD11 LEU A 33 -8.145 -2.651 1.694 1.00 34.01 H new ATOM 0 HD12 LEU A 33 -9.653 -3.284 2.395 1.00 34.01 H new ATOM 0 HD13 LEU A 33 -8.109 -4.110 2.712 1.00 34.01 H new ATOM 0 HD21 LEU A 33 -7.039 -3.817 -0.161 1.00 21.53 H new ATOM 0 HD22 LEU A 33 -6.952 -5.338 0.758 1.00 21.53 H new ATOM 0 HD23 LEU A 33 -7.733 -5.308 -0.841 1.00 21.53 H new ATOM 541 N LYS A 34 -10.475 -8.980 -0.257 1.00 15.35 N ATOM 542 CA LYS A 34 -11.260 -10.210 -0.077 1.00 15.13 C ATOM 543 C LYS A 34 -10.431 -11.429 0.377 1.00 14.42 C ATOM 544 O LYS A 34 -10.985 -12.519 0.550 1.00 74.10 O ATOM 545 CB LYS A 34 -11.973 -10.532 -1.397 1.00 72.01 C ATOM 546 CG LYS A 34 -11.016 -10.659 -2.580 1.00 71.02 C ATOM 547 CD LYS A 34 -11.751 -10.664 -3.918 1.00 55.24 C ATOM 548 CE LYS A 34 -10.777 -10.658 -5.092 1.00 53.24 C ATOM 549 NZ LYS A 34 -11.478 -10.500 -6.390 1.00 53.33 N ATOM 0 H LYS A 34 -9.668 -9.082 -0.872 1.00 15.35 H new ATOM 0 HA LYS A 34 -11.970 -10.019 0.728 1.00 15.13 H new ATOM 0 HB2 LYS A 34 -12.528 -11.463 -1.285 1.00 72.01 H new ATOM 0 HB3 LYS A 34 -12.702 -9.750 -1.609 1.00 72.01 H new ATOM 0 HG2 LYS A 34 -10.305 -9.833 -2.561 1.00 71.02 H new ATOM 0 HG3 LYS A 34 -10.439 -11.578 -2.481 1.00 71.02 H new ATOM 0 HD2 LYS A 34 -12.391 -11.544 -3.979 1.00 55.24 H new ATOM 0 HD3 LYS A 34 -12.402 -9.792 -3.980 1.00 55.24 H new ATOM 0 HE2 LYS A 34 -10.060 -9.847 -4.965 1.00 53.24 H new ATOM 0 HE3 LYS A 34 -10.208 -11.588 -5.097 1.00 53.24 H new ATOM 0 HZ1 LYS A 34 -10.782 -10.501 -7.163 1.00 53.33 H new ATOM 0 HZ2 LYS A 34 -12.144 -11.288 -6.523 1.00 53.33 H new ATOM 0 HZ3 LYS A 34 -12.000 -9.601 -6.395 1.00 53.33 H new ATOM 563 N LYS A 35 -9.123 -11.271 0.574 1.00 0.23 N ATOM 564 CA LYS A 35 -8.276 -12.399 1.003 1.00 32.04 C ATOM 565 C LYS A 35 -7.088 -11.931 1.856 1.00 40.42 C ATOM 566 O LYS A 35 -6.674 -10.776 1.786 1.00 61.43 O ATOM 567 CB LYS A 35 -7.777 -13.182 -0.223 1.00 30.34 C ATOM 568 CG LYS A 35 -6.898 -12.367 -1.170 1.00 22.41 C ATOM 569 CD LYS A 35 -6.623 -13.114 -2.473 1.00 24.41 C ATOM 570 CE LYS A 35 -5.935 -14.454 -2.230 1.00 71.21 C ATOM 571 NZ LYS A 35 -5.851 -15.267 -3.473 1.00 15.41 N ATOM 0 H LYS A 35 -8.626 -10.389 0.448 1.00 0.23 H new ATOM 0 HA LYS A 35 -8.887 -13.053 1.625 1.00 32.04 H new ATOM 0 HB2 LYS A 35 -7.215 -14.051 0.119 1.00 30.34 H new ATOM 0 HB3 LYS A 35 -8.638 -13.557 -0.776 1.00 30.34 H new ATOM 0 HG2 LYS A 35 -7.385 -11.417 -1.391 1.00 22.41 H new ATOM 0 HG3 LYS A 35 -5.953 -12.134 -0.679 1.00 22.41 H new ATOM 0 HD2 LYS A 35 -7.562 -13.279 -3.001 1.00 24.41 H new ATOM 0 HD3 LYS A 35 -5.998 -12.498 -3.119 1.00 24.41 H new ATOM 0 HE2 LYS A 35 -4.932 -14.282 -1.840 1.00 71.21 H new ATOM 0 HE3 LYS A 35 -6.482 -15.010 -1.468 1.00 71.21 H new ATOM 0 HZ1 LYS A 35 -5.377 -16.169 -3.266 1.00 15.41 H new ATOM 0 HZ2 LYS A 35 -6.809 -15.453 -3.831 1.00 15.41 H new ATOM 0 HZ3 LYS A 35 -5.308 -14.747 -4.192 1.00 15.41 H new ATOM 585 N GLN A 36 -6.542 -12.829 2.676 1.00 74.45 N ATOM 586 CA GLN A 36 -5.396 -12.487 3.525 1.00 44.42 C ATOM 587 C GLN A 36 -4.163 -12.152 2.669 1.00 31.23 C ATOM 588 O GLN A 36 -3.608 -13.019 1.991 1.00 53.34 O ATOM 589 CB GLN A 36 -5.072 -13.635 4.498 1.00 62.10 C ATOM 590 CG GLN A 36 -4.134 -13.230 5.639 1.00 62.32 C ATOM 591 CD GLN A 36 -4.835 -12.532 6.808 1.00 55.10 C ATOM 592 OE1 GLN A 36 -4.358 -12.561 7.936 1.00 11.43 O ATOM 593 NE2 GLN A 36 -5.985 -11.929 6.572 1.00 72.20 N ATOM 0 H GLN A 36 -6.869 -13.790 2.772 1.00 74.45 H new ATOM 0 HA GLN A 36 -5.663 -11.606 4.108 1.00 44.42 H new ATOM 0 HB2 GLN A 36 -6.002 -14.014 4.922 1.00 62.10 H new ATOM 0 HB3 GLN A 36 -4.619 -14.455 3.941 1.00 62.10 H new ATOM 0 HG2 GLN A 36 -3.628 -14.120 6.012 1.00 62.32 H new ATOM 0 HG3 GLN A 36 -3.364 -12.568 5.244 1.00 62.32 H new ATOM 0 HE21 GLN A 36 -6.368 -11.914 5.627 1.00 72.20 H new ATOM 0 HE22 GLN A 36 -6.490 -11.478 7.335 1.00 72.20 H new ATOM 602 N GLY A 37 -3.748 -10.887 2.700 1.00 74.14 N ATOM 603 CA GLY A 37 -2.646 -10.432 1.859 1.00 64.05 C ATOM 604 C GLY A 37 -3.101 -9.449 0.787 1.00 14.22 C ATOM 605 O GLY A 37 -2.299 -8.687 0.254 1.00 14.21 O ATOM 0 H GLY A 37 -4.155 -10.165 3.294 1.00 74.14 H new ATOM 0 HA2 GLY A 37 -1.887 -9.959 2.483 1.00 64.05 H new ATOM 0 HA3 GLY A 37 -2.176 -11.293 1.383 1.00 64.05 H new ATOM 609 N ASP A 38 -4.397 -9.485 0.485 1.00 1.43 N ATOM 610 CA ASP A 38 -5.027 -8.589 -0.493 1.00 32.12 C ATOM 611 C ASP A 38 -4.689 -7.117 -0.188 1.00 31.24 C ATOM 612 O ASP A 38 -4.961 -6.637 0.913 1.00 3.22 O ATOM 613 CB ASP A 38 -6.546 -8.810 -0.426 1.00 22.33 C ATOM 614 CG ASP A 38 -7.307 -8.277 -1.624 1.00 24.43 C ATOM 615 OD1 ASP A 38 -7.087 -7.116 -2.009 1.00 5.41 O ATOM 616 OD2 ASP A 38 -8.152 -9.029 -2.163 1.00 41.30 O ATOM 0 H ASP A 38 -5.049 -10.142 0.914 1.00 1.43 H new ATOM 0 HA ASP A 38 -4.652 -8.811 -1.492 1.00 32.12 H new ATOM 0 HB2 ASP A 38 -6.742 -9.878 -0.331 1.00 22.33 H new ATOM 0 HB3 ASP A 38 -6.931 -8.334 0.476 1.00 22.33 H new ATOM 621 N PHE A 39 -4.098 -6.404 -1.150 1.00 21.10 N ATOM 622 CA PHE A 39 -3.714 -5.006 -0.925 1.00 2.25 C ATOM 623 C PHE A 39 -3.746 -4.169 -2.211 1.00 50.24 C ATOM 624 O PHE A 39 -3.607 -4.691 -3.322 1.00 45.33 O ATOM 625 CB PHE A 39 -2.313 -4.918 -0.291 1.00 24.31 C ATOM 626 CG PHE A 39 -1.171 -5.235 -1.230 1.00 12.23 C ATOM 627 CD1 PHE A 39 -0.813 -6.549 -1.496 1.00 64.54 C ATOM 628 CD2 PHE A 39 -0.450 -4.213 -1.837 1.00 65.41 C ATOM 629 CE1 PHE A 39 0.236 -6.836 -2.347 1.00 45.43 C ATOM 630 CE2 PHE A 39 0.598 -4.497 -2.690 1.00 13.12 C ATOM 631 CZ PHE A 39 0.944 -5.809 -2.943 1.00 74.32 C ATOM 0 H PHE A 39 -3.877 -6.763 -2.079 1.00 21.10 H new ATOM 0 HA PHE A 39 -4.454 -4.592 -0.240 1.00 2.25 H new ATOM 0 HB2 PHE A 39 -2.171 -3.912 0.105 1.00 24.31 H new ATOM 0 HB3 PHE A 39 -2.269 -5.603 0.556 1.00 24.31 H new ATOM 0 HD1 PHE A 39 -1.361 -7.356 -1.032 1.00 64.54 H new ATOM 0 HD2 PHE A 39 -0.713 -3.184 -1.639 1.00 65.41 H new ATOM 0 HE1 PHE A 39 0.503 -7.863 -2.547 1.00 45.43 H new ATOM 0 HE2 PHE A 39 1.146 -3.693 -3.159 1.00 13.12 H new ATOM 0 HZ PHE A 39 1.767 -6.033 -3.606 1.00 74.32 H new ATOM 641 N LEU A 40 -3.928 -2.863 -2.038 1.00 13.12 N ATOM 642 CA LEU A 40 -3.835 -1.899 -3.138 1.00 4.10 C ATOM 643 C LEU A 40 -3.394 -0.521 -2.625 1.00 61.44 C ATOM 644 O LEU A 40 -3.631 -0.171 -1.464 1.00 32.14 O ATOM 645 CB LEU A 40 -5.180 -1.744 -3.870 1.00 54.30 C ATOM 646 CG LEU A 40 -6.263 -0.946 -3.113 1.00 43.15 C ATOM 647 CD1 LEU A 40 -7.353 -0.479 -4.069 1.00 11.34 C ATOM 648 CD2 LEU A 40 -6.860 -1.773 -1.977 1.00 33.14 C ATOM 0 H LEU A 40 -4.144 -2.441 -1.135 1.00 13.12 H new ATOM 0 HA LEU A 40 -3.092 -2.288 -3.834 1.00 4.10 H new ATOM 0 HB2 LEU A 40 -4.998 -1.257 -4.828 1.00 54.30 H new ATOM 0 HB3 LEU A 40 -5.572 -2.738 -4.087 1.00 54.30 H new ATOM 0 HG LEU A 40 -5.790 -0.067 -2.676 1.00 43.15 H new ATOM 0 HD11 LEU A 40 -8.107 0.081 -3.516 1.00 11.34 H new ATOM 0 HD12 LEU A 40 -6.915 0.161 -4.835 1.00 11.34 H new ATOM 0 HD13 LEU A 40 -7.818 -1.344 -4.541 1.00 11.34 H new ATOM 0 HD21 LEU A 40 -7.620 -1.187 -1.461 1.00 33.14 H new ATOM 0 HD22 LEU A 40 -7.313 -2.677 -2.384 1.00 33.14 H new ATOM 0 HD23 LEU A 40 -6.073 -2.047 -1.274 1.00 33.14 H new ATOM 660 N VAL A 41 -2.761 0.262 -3.494 1.00 33.24 N ATOM 661 CA VAL A 41 -2.416 1.649 -3.177 1.00 54.13 C ATOM 662 C VAL A 41 -3.364 2.616 -3.901 1.00 45.30 C ATOM 663 O VAL A 41 -3.574 2.518 -5.114 1.00 32.35 O ATOM 664 CB VAL A 41 -0.951 1.982 -3.557 1.00 44.40 C ATOM 665 CG1 VAL A 41 -0.637 3.458 -3.298 1.00 30.40 C ATOM 666 CG2 VAL A 41 0.015 1.082 -2.788 1.00 30.44 C ATOM 0 H VAL A 41 -2.475 -0.039 -4.426 1.00 33.24 H new ATOM 0 HA VAL A 41 -2.523 1.768 -2.099 1.00 54.13 H new ATOM 0 HB VAL A 41 -0.825 1.796 -4.624 1.00 44.40 H new ATOM 0 HG11 VAL A 41 0.397 3.664 -3.573 1.00 30.40 H new ATOM 0 HG12 VAL A 41 -1.302 4.082 -3.895 1.00 30.40 H new ATOM 0 HG13 VAL A 41 -0.782 3.681 -2.241 1.00 30.40 H new ATOM 0 HG21 VAL A 41 1.040 1.328 -3.065 1.00 30.44 H new ATOM 0 HG22 VAL A 41 -0.118 1.236 -1.717 1.00 30.44 H new ATOM 0 HG23 VAL A 41 -0.187 0.039 -3.032 1.00 30.44 H new ATOM 676 N ARG A 42 -3.944 3.538 -3.145 1.00 61.03 N ATOM 677 CA ARG A 42 -4.862 4.533 -3.699 1.00 43.12 C ATOM 678 C ARG A 42 -4.493 5.943 -3.230 1.00 32.41 C ATOM 679 O ARG A 42 -3.762 6.113 -2.253 1.00 1.32 O ATOM 680 CB ARG A 42 -6.306 4.222 -3.269 1.00 51.24 C ATOM 681 CG ARG A 42 -6.536 4.358 -1.765 1.00 2.12 C ATOM 682 CD ARG A 42 -8.006 4.205 -1.393 1.00 25.43 C ATOM 683 NE ARG A 42 -8.237 4.455 0.032 1.00 12.32 N ATOM 684 CZ ARG A 42 -8.900 5.480 0.496 1.00 4.21 C ATOM 685 NH1 ARG A 42 -9.418 6.348 -0.311 1.00 54.24 N ATOM 686 NH2 ARG A 42 -9.049 5.631 1.772 1.00 73.03 N ATOM 0 H ARG A 42 -3.796 3.620 -2.139 1.00 61.03 H new ATOM 0 HA ARG A 42 -4.783 4.490 -4.785 1.00 43.12 H new ATOM 0 HB2 ARG A 42 -6.986 4.893 -3.795 1.00 51.24 H new ATOM 0 HB3 ARG A 42 -6.558 3.207 -3.577 1.00 51.24 H new ATOM 0 HG2 ARG A 42 -5.949 3.604 -1.240 1.00 2.12 H new ATOM 0 HG3 ARG A 42 -6.177 5.331 -1.431 1.00 2.12 H new ATOM 0 HD2 ARG A 42 -8.604 4.898 -1.985 1.00 25.43 H new ATOM 0 HD3 ARG A 42 -8.341 3.199 -1.644 1.00 25.43 H new ATOM 0 HE ARG A 42 -7.857 3.787 0.703 1.00 12.32 H new ATOM 0 HH11 ARG A 42 -9.310 6.235 -1.319 1.00 54.24 H new ATOM 0 HH12 ARG A 42 -9.934 7.145 0.061 1.00 54.24 H new ATOM 0 HH21 ARG A 42 -8.649 4.949 2.416 1.00 73.03 H new ATOM 0 HH22 ARG A 42 -9.567 6.432 2.134 1.00 73.03 H new ATOM 700 N GLU A 43 -4.996 6.951 -3.927 1.00 15.14 N ATOM 701 CA GLU A 43 -4.858 8.337 -3.480 1.00 70.25 C ATOM 702 C GLU A 43 -6.104 8.759 -2.684 1.00 73.03 C ATOM 703 O GLU A 43 -7.210 8.278 -2.939 1.00 21.14 O ATOM 704 CB GLU A 43 -4.637 9.270 -4.680 1.00 31.03 C ATOM 705 CG GLU A 43 -4.557 10.747 -4.308 1.00 24.14 C ATOM 706 CD GLU A 43 -4.176 11.635 -5.482 1.00 2.13 C ATOM 707 OE1 GLU A 43 -5.022 11.843 -6.378 1.00 22.33 O ATOM 708 OE2 GLU A 43 -3.029 12.130 -5.510 1.00 4.44 O ATOM 0 H GLU A 43 -5.504 6.840 -4.805 1.00 15.14 H new ATOM 0 HA GLU A 43 -3.987 8.412 -2.829 1.00 70.25 H new ATOM 0 HB2 GLU A 43 -3.716 8.983 -5.186 1.00 31.03 H new ATOM 0 HB3 GLU A 43 -5.450 9.128 -5.392 1.00 31.03 H new ATOM 0 HG2 GLU A 43 -5.521 11.069 -3.913 1.00 24.14 H new ATOM 0 HG3 GLU A 43 -3.826 10.876 -3.510 1.00 24.14 H new ATOM 715 N SER A 44 -5.918 9.644 -1.711 1.00 2.23 N ATOM 716 CA SER A 44 -7.019 10.102 -0.858 1.00 44.55 C ATOM 717 C SER A 44 -8.057 10.880 -1.675 1.00 31.14 C ATOM 718 O SER A 44 -7.770 11.962 -2.191 1.00 23.24 O ATOM 719 CB SER A 44 -6.471 10.989 0.269 1.00 70.41 C ATOM 720 OG SER A 44 -7.475 11.331 1.214 1.00 53.24 O ATOM 0 H SER A 44 -5.014 10.062 -1.490 1.00 2.23 H new ATOM 0 HA SER A 44 -7.507 9.227 -0.427 1.00 44.55 H new ATOM 0 HB2 SER A 44 -5.658 10.470 0.776 1.00 70.41 H new ATOM 0 HB3 SER A 44 -6.050 11.899 -0.158 1.00 70.41 H new ATOM 0 HG SER A 44 -7.069 11.435 2.100 1.00 53.24 H new ATOM 794 N GLU A 50 -1.953 12.691 -0.727 1.00 72.44 N ATOM 795 CA GLU A 50 -2.079 11.765 0.403 1.00 23.35 C ATOM 796 C GLU A 50 -2.445 10.356 -0.092 1.00 1.30 C ATOM 797 O GLU A 50 -3.606 10.065 -0.372 1.00 62.22 O ATOM 798 CB GLU A 50 -3.139 12.272 1.395 1.00 21.25 C ATOM 799 CG GLU A 50 -3.337 11.368 2.614 1.00 53.32 C ATOM 800 CD GLU A 50 -4.408 11.880 3.570 1.00 3.32 C ATOM 801 OE1 GLU A 50 -4.084 12.710 4.445 1.00 33.14 O ATOM 802 OE2 GLU A 50 -5.581 11.458 3.448 1.00 44.13 O ATOM 0 HA GLU A 50 -1.118 11.714 0.914 1.00 23.35 H new ATOM 0 HB2 GLU A 50 -2.855 13.267 1.737 1.00 21.25 H new ATOM 0 HB3 GLU A 50 -4.090 12.374 0.873 1.00 21.25 H new ATOM 0 HG2 GLU A 50 -3.608 10.367 2.277 1.00 53.32 H new ATOM 0 HG3 GLU A 50 -2.392 11.279 3.150 1.00 53.32 H new ATOM 809 N TYR A 51 -1.445 9.493 -0.231 1.00 45.35 N ATOM 810 CA TYR A 51 -1.671 8.126 -0.714 1.00 74.44 C ATOM 811 C TYR A 51 -1.900 7.140 0.439 1.00 31.14 C ATOM 812 O TYR A 51 -1.100 7.047 1.369 1.00 20.03 O ATOM 813 CB TYR A 51 -0.498 7.670 -1.594 1.00 33.32 C ATOM 814 CG TYR A 51 -0.551 8.233 -3.005 1.00 51.33 C ATOM 815 CD1 TYR A 51 -0.522 9.605 -3.235 1.00 42.51 C ATOM 816 CD2 TYR A 51 -0.649 7.391 -4.107 1.00 14.22 C ATOM 817 CE1 TYR A 51 -0.583 10.118 -4.518 1.00 31.10 C ATOM 818 CE2 TYR A 51 -0.712 7.897 -5.391 1.00 73.22 C ATOM 819 CZ TYR A 51 -0.678 9.260 -5.592 1.00 20.01 C ATOM 820 OH TYR A 51 -0.752 9.760 -6.874 1.00 33.42 O ATOM 0 H TYR A 51 -0.471 9.710 -0.018 1.00 45.35 H new ATOM 0 HA TYR A 51 -2.581 8.135 -1.315 1.00 74.44 H new ATOM 0 HB2 TYR A 51 0.438 7.972 -1.125 1.00 33.32 H new ATOM 0 HB3 TYR A 51 -0.492 6.581 -1.645 1.00 33.32 H new ATOM 0 HD1 TYR A 51 -0.451 10.282 -2.396 1.00 42.51 H new ATOM 0 HD2 TYR A 51 -0.676 6.322 -3.957 1.00 14.22 H new ATOM 0 HE1 TYR A 51 -0.556 11.186 -4.677 1.00 31.10 H new ATOM 0 HE2 TYR A 51 -0.788 7.227 -6.234 1.00 73.22 H new ATOM 0 HH TYR A 51 -0.583 9.040 -7.516 1.00 33.42 H new ATOM 830 N VAL A 52 -3.008 6.408 0.364 1.00 74.11 N ATOM 831 CA VAL A 52 -3.386 5.454 1.410 1.00 2.33 C ATOM 832 C VAL A 52 -3.300 3.999 0.920 1.00 21.33 C ATOM 833 O VAL A 52 -3.930 3.618 -0.070 1.00 22.33 O ATOM 834 CB VAL A 52 -4.823 5.730 1.919 1.00 2.03 C ATOM 835 CG1 VAL A 52 -5.182 4.794 3.075 1.00 62.24 C ATOM 836 CG2 VAL A 52 -4.985 7.195 2.330 1.00 42.12 C ATOM 0 H VAL A 52 -3.666 6.456 -0.414 1.00 74.11 H new ATOM 0 HA VAL A 52 -2.675 5.590 2.225 1.00 2.33 H new ATOM 0 HB VAL A 52 -5.514 5.533 1.100 1.00 2.03 H new ATOM 0 HG11 VAL A 52 -6.195 5.007 3.415 1.00 62.24 H new ATOM 0 HG12 VAL A 52 -5.123 3.759 2.737 1.00 62.24 H new ATOM 0 HG13 VAL A 52 -4.484 4.947 3.898 1.00 62.24 H new ATOM 0 HG21 VAL A 52 -6.002 7.363 2.684 1.00 42.12 H new ATOM 0 HG22 VAL A 52 -4.280 7.429 3.128 1.00 42.12 H new ATOM 0 HG23 VAL A 52 -4.788 7.838 1.472 1.00 42.12 H new ATOM 846 N LEU A 53 -2.521 3.194 1.629 1.00 73.32 N ATOM 847 CA LEU A 53 -2.430 1.757 1.372 1.00 71.14 C ATOM 848 C LEU A 53 -3.518 1.006 2.152 1.00 43.14 C ATOM 849 O LEU A 53 -3.763 1.291 3.326 1.00 43.34 O ATOM 850 CB LEU A 53 -1.042 1.239 1.786 1.00 74.30 C ATOM 851 CG LEU A 53 -0.830 -0.282 1.661 1.00 70.45 C ATOM 852 CD1 LEU A 53 -0.881 -0.731 0.203 1.00 64.23 C ATOM 853 CD2 LEU A 53 0.490 -0.699 2.304 1.00 64.02 C ATOM 0 H LEU A 53 -1.933 3.515 2.399 1.00 73.32 H new ATOM 0 HA LEU A 53 -2.577 1.582 0.306 1.00 71.14 H new ATOM 0 HB2 LEU A 53 -0.291 1.743 1.178 1.00 74.30 H new ATOM 0 HB3 LEU A 53 -0.861 1.528 2.821 1.00 74.30 H new ATOM 0 HG LEU A 53 -1.644 -0.775 2.192 1.00 70.45 H new ATOM 0 HD11 LEU A 53 -0.728 -1.809 0.149 1.00 64.23 H new ATOM 0 HD12 LEU A 53 -1.853 -0.481 -0.221 1.00 64.23 H new ATOM 0 HD13 LEU A 53 -0.098 -0.225 -0.361 1.00 64.23 H new ATOM 0 HD21 LEU A 53 0.619 -1.777 2.204 1.00 64.02 H new ATOM 0 HD22 LEU A 53 1.314 -0.187 1.807 1.00 64.02 H new ATOM 0 HD23 LEU A 53 0.481 -0.431 3.361 1.00 64.02 H new ATOM 865 N SER A 54 -4.177 0.058 1.502 1.00 5.21 N ATOM 866 CA SER A 54 -5.210 -0.749 2.164 1.00 24.01 C ATOM 867 C SER A 54 -4.963 -2.241 1.938 1.00 43.41 C ATOM 868 O SER A 54 -4.847 -2.690 0.800 1.00 52.31 O ATOM 869 CB SER A 54 -6.609 -0.359 1.661 1.00 14.53 C ATOM 870 OG SER A 54 -6.909 0.999 1.973 1.00 61.40 O ATOM 0 H SER A 54 -4.021 -0.176 0.522 1.00 5.21 H new ATOM 0 HA SER A 54 -5.158 -0.550 3.234 1.00 24.01 H new ATOM 0 HB2 SER A 54 -6.665 -0.508 0.583 1.00 14.53 H new ATOM 0 HB3 SER A 54 -7.356 -1.012 2.112 1.00 14.53 H new ATOM 0 HG SER A 54 -7.271 1.053 2.882 1.00 61.40 H new ATOM 876 N VAL A 55 -4.880 -2.997 3.033 1.00 22.14 N ATOM 877 CA VAL A 55 -4.573 -4.433 2.972 1.00 11.34 C ATOM 878 C VAL A 55 -5.465 -5.245 3.930 1.00 64.20 C ATOM 879 O VAL A 55 -5.895 -4.748 4.972 1.00 42.22 O ATOM 880 CB VAL A 55 -3.076 -4.693 3.295 1.00 11.03 C ATOM 881 CG1 VAL A 55 -2.710 -4.133 4.667 1.00 15.41 C ATOM 882 CG2 VAL A 55 -2.739 -6.183 3.203 1.00 61.22 C ATOM 0 H VAL A 55 -5.021 -2.640 3.978 1.00 22.14 H new ATOM 0 HA VAL A 55 -4.778 -4.763 1.954 1.00 11.34 H new ATOM 0 HB VAL A 55 -2.479 -4.172 2.547 1.00 11.03 H new ATOM 0 HG11 VAL A 55 -1.657 -4.327 4.870 1.00 15.41 H new ATOM 0 HG12 VAL A 55 -2.890 -3.058 4.681 1.00 15.41 H new ATOM 0 HG13 VAL A 55 -3.322 -4.613 5.431 1.00 15.41 H new ATOM 0 HG21 VAL A 55 -1.684 -6.332 3.434 1.00 61.22 H new ATOM 0 HG22 VAL A 55 -3.349 -6.739 3.915 1.00 61.22 H new ATOM 0 HG23 VAL A 55 -2.943 -6.541 2.194 1.00 61.22 H new ATOM 892 N TYR A 56 -5.741 -6.494 3.566 1.00 65.44 N ATOM 893 CA TYR A 56 -6.613 -7.372 4.353 1.00 63.12 C ATOM 894 C TYR A 56 -5.790 -8.327 5.243 1.00 65.10 C ATOM 895 O TYR A 56 -5.231 -9.318 4.763 1.00 45.20 O ATOM 896 CB TYR A 56 -7.507 -8.171 3.394 1.00 32.45 C ATOM 897 CG TYR A 56 -8.710 -8.826 4.044 1.00 5.23 C ATOM 898 CD1 TYR A 56 -9.903 -8.128 4.187 1.00 41.55 C ATOM 899 CD2 TYR A 56 -8.661 -10.138 4.499 1.00 34.03 C ATOM 900 CE1 TYR A 56 -11.011 -8.717 4.760 1.00 44.22 C ATOM 901 CE2 TYR A 56 -9.768 -10.734 5.077 1.00 52.44 C ATOM 902 CZ TYR A 56 -10.940 -10.019 5.203 1.00 13.10 C ATOM 903 OH TYR A 56 -12.049 -10.607 5.767 1.00 62.31 O ATOM 0 H TYR A 56 -5.370 -6.928 2.721 1.00 65.44 H new ATOM 0 HA TYR A 56 -7.229 -6.762 5.013 1.00 63.12 H new ATOM 0 HB2 TYR A 56 -7.856 -7.505 2.605 1.00 32.45 H new ATOM 0 HB3 TYR A 56 -6.904 -8.943 2.916 1.00 32.45 H new ATOM 0 HD1 TYR A 56 -9.964 -7.106 3.843 1.00 41.55 H new ATOM 0 HD2 TYR A 56 -7.745 -10.701 4.400 1.00 34.03 H new ATOM 0 HE1 TYR A 56 -11.930 -8.159 4.861 1.00 44.22 H new ATOM 0 HE2 TYR A 56 -9.714 -11.754 5.428 1.00 52.44 H new ATOM 0 HH TYR A 56 -11.835 -11.527 6.027 1.00 62.31 H new ATOM 913 N SER A 57 -5.721 -8.025 6.543 1.00 62.43 N ATOM 914 CA SER A 57 -4.941 -8.835 7.500 1.00 52.41 C ATOM 915 C SER A 57 -5.753 -9.103 8.772 1.00 21.33 C ATOM 916 O SER A 57 -6.533 -8.251 9.203 1.00 25.41 O ATOM 917 CB SER A 57 -3.620 -8.147 7.884 1.00 42.13 C ATOM 918 OG SER A 57 -3.805 -7.199 8.927 1.00 61.15 O ATOM 0 H SER A 57 -6.195 -7.225 6.963 1.00 62.43 H new ATOM 0 HA SER A 57 -4.712 -9.778 7.004 1.00 52.41 H new ATOM 0 HB2 SER A 57 -2.896 -8.899 8.200 1.00 42.13 H new ATOM 0 HB3 SER A 57 -3.201 -7.649 7.009 1.00 42.13 H new ATOM 0 HG SER A 57 -3.783 -7.657 9.793 1.00 61.15 H new ATOM 924 N ASP A 58 -5.608 -10.303 9.344 1.00 43.25 N ATOM 925 CA ASP A 58 -6.324 -10.684 10.577 1.00 63.03 C ATOM 926 C ASP A 58 -7.840 -10.795 10.340 1.00 22.21 C ATOM 927 O ASP A 58 -8.621 -10.903 11.286 1.00 33.32 O ATOM 928 CB ASP A 58 -6.055 -9.668 11.704 1.00 72.31 C ATOM 929 CG ASP A 58 -4.578 -9.491 12.011 1.00 34.40 C ATOM 930 OD1 ASP A 58 -4.009 -10.346 12.722 1.00 42.32 O ATOM 931 OD2 ASP A 58 -3.989 -8.482 11.560 1.00 33.52 O ATOM 0 H ASP A 58 -5.000 -11.034 8.975 1.00 43.25 H new ATOM 0 HA ASP A 58 -5.947 -11.662 10.876 1.00 63.03 H new ATOM 0 HB2 ASP A 58 -6.479 -8.704 11.424 1.00 72.31 H new ATOM 0 HB3 ASP A 58 -6.571 -9.993 12.608 1.00 72.31 H new ATOM 936 N GLY A 59 -8.249 -10.782 9.073 1.00 25.22 N ATOM 937 CA GLY A 59 -9.667 -10.745 8.736 1.00 33.32 C ATOM 938 C GLY A 59 -10.235 -9.329 8.794 1.00 2.33 C ATOM 939 O GLY A 59 -11.451 -9.133 8.774 1.00 23.11 O ATOM 0 H GLY A 59 -7.622 -10.796 8.269 1.00 25.22 H new ATOM 0 HA2 GLY A 59 -9.812 -11.152 7.735 1.00 33.32 H new ATOM 0 HA3 GLY A 59 -10.219 -11.385 9.424 1.00 33.32 H new ATOM 943 N GLN A 60 -9.342 -8.343 8.865 1.00 10.21 N ATOM 944 CA GLN A 60 -9.725 -6.931 8.988 1.00 4.24 C ATOM 945 C GLN A 60 -9.087 -6.075 7.881 1.00 31.52 C ATOM 946 O GLN A 60 -8.060 -6.441 7.306 1.00 5.03 O ATOM 947 CB GLN A 60 -9.287 -6.401 10.360 1.00 31.22 C ATOM 948 CG GLN A 60 -9.932 -7.125 11.538 1.00 61.11 C ATOM 949 CD GLN A 60 -9.385 -6.674 12.883 1.00 50.53 C ATOM 950 OE1 GLN A 60 -8.232 -6.272 12.997 1.00 1.35 O ATOM 951 NE2 GLN A 60 -10.203 -6.740 13.913 1.00 23.24 N ATOM 0 H GLN A 60 -8.334 -8.496 8.839 1.00 10.21 H new ATOM 0 HA GLN A 60 -10.808 -6.864 8.886 1.00 4.24 H new ATOM 0 HB2 GLN A 60 -8.204 -6.487 10.443 1.00 31.22 H new ATOM 0 HB3 GLN A 60 -9.528 -5.340 10.422 1.00 31.22 H new ATOM 0 HG2 GLN A 60 -11.009 -6.957 11.515 1.00 61.11 H new ATOM 0 HG3 GLN A 60 -9.774 -8.198 11.429 1.00 61.11 H new ATOM 0 HE21 GLN A 60 -11.157 -7.079 13.786 1.00 23.24 H new ATOM 0 HE22 GLN A 60 -9.883 -6.452 14.838 1.00 23.24 H new ATOM 960 N ARG A 61 -9.702 -4.928 7.584 1.00 55.43 N ATOM 961 CA ARG A 61 -9.136 -3.974 6.623 1.00 61.32 C ATOM 962 C ARG A 61 -8.140 -3.009 7.300 1.00 5.34 C ATOM 963 O ARG A 61 -8.535 -2.129 8.066 1.00 54.10 O ATOM 964 CB ARG A 61 -10.246 -3.157 5.939 1.00 4.21 C ATOM 965 CG ARG A 61 -10.931 -3.858 4.762 1.00 41.44 C ATOM 966 CD ARG A 61 -11.865 -4.985 5.187 1.00 74.04 C ATOM 967 NE ARG A 61 -12.702 -5.433 4.071 1.00 51.32 N ATOM 968 CZ ARG A 61 -13.665 -6.307 4.174 1.00 1.21 C ATOM 969 NH1 ARG A 61 -13.895 -6.906 5.298 1.00 10.44 N ATOM 970 NH2 ARG A 61 -14.396 -6.586 3.148 1.00 23.14 N ATOM 0 H ARG A 61 -10.590 -4.636 7.993 1.00 55.43 H new ATOM 0 HA ARG A 61 -8.603 -4.559 5.873 1.00 61.32 H new ATOM 0 HB2 ARG A 61 -11.002 -2.905 6.683 1.00 4.21 H new ATOM 0 HB3 ARG A 61 -9.820 -2.218 5.586 1.00 4.21 H new ATOM 0 HG2 ARG A 61 -11.498 -3.123 4.191 1.00 41.44 H new ATOM 0 HG3 ARG A 61 -10.169 -4.260 4.095 1.00 41.44 H new ATOM 0 HD2 ARG A 61 -11.279 -5.823 5.564 1.00 74.04 H new ATOM 0 HD3 ARG A 61 -12.499 -4.645 6.006 1.00 74.04 H new ATOM 0 HE ARG A 61 -12.519 -5.034 3.150 1.00 51.32 H new ATOM 0 HH11 ARG A 61 -13.321 -6.696 6.114 1.00 10.44 H new ATOM 0 HH12 ARG A 61 -14.651 -7.588 5.367 1.00 10.44 H new ATOM 0 HH21 ARG A 61 -14.221 -6.123 2.256 1.00 23.14 H new ATOM 0 HH22 ARG A 61 -15.149 -7.269 3.229 1.00 23.14 H new ATOM 984 N ARG A 62 -6.851 -3.187 7.018 1.00 54.11 N ATOM 985 CA ARG A 62 -5.809 -2.264 7.488 1.00 51.41 C ATOM 986 C ARG A 62 -5.704 -1.044 6.551 1.00 24.04 C ATOM 987 O ARG A 62 -5.925 -1.160 5.343 1.00 54.11 O ATOM 988 CB ARG A 62 -4.449 -2.981 7.535 1.00 53.34 C ATOM 989 CG ARG A 62 -4.393 -4.192 8.466 1.00 10.32 C ATOM 990 CD ARG A 62 -4.191 -3.804 9.929 1.00 2.01 C ATOM 991 NE ARG A 62 -3.905 -4.976 10.756 1.00 4.21 N ATOM 992 CZ ARG A 62 -3.441 -4.935 11.979 1.00 13.45 C ATOM 993 NH1 ARG A 62 -3.183 -3.803 12.555 1.00 72.32 N ATOM 994 NH2 ARG A 62 -3.207 -6.036 12.619 1.00 74.00 N ATOM 0 H ARG A 62 -6.497 -3.966 6.463 1.00 54.11 H new ATOM 0 HA ARG A 62 -6.080 -1.926 8.488 1.00 51.41 H new ATOM 0 HB2 ARG A 62 -4.189 -3.304 6.527 1.00 53.34 H new ATOM 0 HB3 ARG A 62 -3.688 -2.266 7.847 1.00 53.34 H new ATOM 0 HG2 ARG A 62 -5.317 -4.761 8.370 1.00 10.32 H new ATOM 0 HG3 ARG A 62 -3.581 -4.848 8.153 1.00 10.32 H new ATOM 0 HD2 ARG A 62 -3.370 -3.091 10.008 1.00 2.01 H new ATOM 0 HD3 ARG A 62 -5.085 -3.303 10.301 1.00 2.01 H new ATOM 0 HE ARG A 62 -4.080 -5.895 10.349 1.00 4.21 H new ATOM 0 HH11 ARG A 62 -3.341 -2.928 12.055 1.00 72.32 H new ATOM 0 HH12 ARG A 62 -2.822 -3.787 13.509 1.00 72.32 H new ATOM 0 HH21 ARG A 62 -3.384 -6.934 12.170 1.00 74.00 H new ATOM 0 HH22 ARG A 62 -2.845 -6.005 13.572 1.00 74.00 H new ATOM 1008 N HIS A 63 -5.372 0.125 7.105 1.00 33.25 N ATOM 1009 CA HIS A 63 -5.192 1.341 6.300 1.00 53.45 C ATOM 1010 C HIS A 63 -3.931 2.114 6.735 1.00 45.44 C ATOM 1011 O HIS A 63 -3.832 2.564 7.876 1.00 35.24 O ATOM 1012 CB HIS A 63 -6.424 2.254 6.409 1.00 72.33 C ATOM 1013 CG HIS A 63 -7.714 1.600 5.994 1.00 4.12 C ATOM 1014 ND1 HIS A 63 -7.998 1.236 4.692 1.00 13.10 N ATOM 1015 CD2 HIS A 63 -8.808 1.255 6.718 1.00 44.14 C ATOM 1016 CE1 HIS A 63 -9.201 0.702 4.638 1.00 10.10 C ATOM 1017 NE2 HIS A 63 -9.714 0.700 5.850 1.00 1.54 N ATOM 0 H HIS A 63 -5.222 0.257 8.105 1.00 33.25 H new ATOM 0 HA HIS A 63 -5.070 1.032 5.262 1.00 53.45 H new ATOM 0 HB2 HIS A 63 -6.518 2.597 7.439 1.00 72.33 H new ATOM 0 HB3 HIS A 63 -6.263 3.138 5.792 1.00 72.33 H new ATOM 0 HD2 HIS A 63 -8.941 1.392 7.781 1.00 44.14 H new ATOM 0 HE1 HIS A 63 -9.685 0.328 3.748 1.00 10.10 H new ATOM 0 HE2 HIS A 63 -10.636 0.344 6.103 1.00 1.54 H new ATOM 1026 N PHE A 64 -2.976 2.260 5.820 1.00 44.04 N ATOM 1027 CA PHE A 64 -1.712 2.953 6.109 1.00 3.14 C ATOM 1028 C PHE A 64 -1.540 4.196 5.223 1.00 30.52 C ATOM 1029 O PHE A 64 -1.442 4.088 4.002 1.00 70.03 O ATOM 1030 CB PHE A 64 -0.527 2.002 5.889 1.00 23.30 C ATOM 1031 CG PHE A 64 -0.621 0.718 6.675 1.00 12.21 C ATOM 1032 CD1 PHE A 64 -0.312 0.692 8.026 1.00 45.01 C ATOM 1033 CD2 PHE A 64 -1.026 -0.461 6.062 1.00 63.02 C ATOM 1034 CE1 PHE A 64 -0.399 -0.483 8.749 1.00 34.23 C ATOM 1035 CE2 PHE A 64 -1.113 -1.635 6.781 1.00 74.53 C ATOM 1036 CZ PHE A 64 -0.802 -1.647 8.125 1.00 1.55 C ATOM 0 H PHE A 64 -3.049 1.907 4.866 1.00 44.04 H new ATOM 0 HA PHE A 64 -1.739 3.273 7.151 1.00 3.14 H new ATOM 0 HB2 PHE A 64 -0.458 1.763 4.828 1.00 23.30 H new ATOM 0 HB3 PHE A 64 0.395 2.516 6.161 1.00 23.30 H new ATOM 0 HD1 PHE A 64 0.000 1.600 8.520 1.00 45.01 H new ATOM 0 HD2 PHE A 64 -1.275 -0.458 5.011 1.00 63.02 H new ATOM 0 HE1 PHE A 64 -0.152 -0.491 9.800 1.00 34.23 H new ATOM 0 HE2 PHE A 64 -1.425 -2.546 6.291 1.00 74.53 H new ATOM 0 HZ PHE A 64 -0.874 -2.566 8.688 1.00 1.55 H new ATOM 1046 N ILE A 65 -1.503 5.375 5.837 1.00 64.33 N ATOM 1047 CA ILE A 65 -1.304 6.626 5.095 1.00 33.25 C ATOM 1048 C ILE A 65 0.193 6.935 4.919 1.00 3.31 C ATOM 1049 O ILE A 65 0.949 6.930 5.887 1.00 60.13 O ATOM 1050 CB ILE A 65 -2.001 7.813 5.808 1.00 44.25 C ATOM 1051 CG1 ILE A 65 -3.508 7.532 5.953 1.00 42.14 C ATOM 1052 CG2 ILE A 65 -1.768 9.119 5.048 1.00 35.31 C ATOM 1053 CD1 ILE A 65 -4.279 8.622 6.672 1.00 21.33 C ATOM 0 H ILE A 65 -1.608 5.495 6.844 1.00 64.33 H new ATOM 0 HA ILE A 65 -1.753 6.494 4.110 1.00 33.25 H new ATOM 0 HB ILE A 65 -1.567 7.921 6.802 1.00 44.25 H new ATOM 0 HG12 ILE A 65 -3.937 7.394 4.961 1.00 42.14 H new ATOM 0 HG13 ILE A 65 -3.641 6.594 6.491 1.00 42.14 H new ATOM 0 HG21 ILE A 65 -2.267 9.937 5.568 1.00 35.31 H new ATOM 0 HG22 ILE A 65 -0.699 9.322 4.994 1.00 35.31 H new ATOM 0 HG23 ILE A 65 -2.172 9.030 4.040 1.00 35.31 H new ATOM 0 HD11 ILE A 65 -5.332 8.345 6.731 1.00 21.33 H new ATOM 0 HD12 ILE A 65 -3.880 8.747 7.679 1.00 21.33 H new ATOM 0 HD13 ILE A 65 -4.181 9.559 6.124 1.00 21.33 H new ATOM 1065 N ILE A 66 0.605 7.203 3.680 1.00 50.32 N ATOM 1066 CA ILE A 66 2.014 7.476 3.366 1.00 42.13 C ATOM 1067 C ILE A 66 2.395 8.937 3.659 1.00 73.21 C ATOM 1068 O ILE A 66 1.782 9.869 3.131 1.00 20.23 O ATOM 1069 CB ILE A 66 2.322 7.175 1.873 1.00 43.10 C ATOM 1070 CG1 ILE A 66 1.929 5.731 1.518 1.00 63.12 C ATOM 1071 CG2 ILE A 66 3.802 7.417 1.575 1.00 11.13 C ATOM 1072 CD1 ILE A 66 2.162 5.371 0.063 1.00 73.21 C ATOM 0 H ILE A 66 -0.017 7.238 2.872 1.00 50.32 H new ATOM 0 HA ILE A 66 2.604 6.820 4.006 1.00 42.13 H new ATOM 0 HB ILE A 66 1.730 7.851 1.257 1.00 43.10 H new ATOM 0 HG12 ILE A 66 2.496 5.045 2.147 1.00 63.12 H new ATOM 0 HG13 ILE A 66 0.875 5.583 1.755 1.00 63.12 H new ATOM 0 HG21 ILE A 66 4.002 7.202 0.525 1.00 11.13 H new ATOM 0 HG22 ILE A 66 4.050 8.457 1.786 1.00 11.13 H new ATOM 0 HG23 ILE A 66 4.411 6.765 2.201 1.00 11.13 H new ATOM 0 HD11 ILE A 66 1.861 4.338 -0.109 1.00 73.21 H new ATOM 0 HD12 ILE A 66 1.573 6.031 -0.574 1.00 73.21 H new ATOM 0 HD13 ILE A 66 3.220 5.485 -0.175 1.00 73.21 H new ATOM 1084 N GLN A 67 3.412 9.136 4.497 1.00 2.43 N ATOM 1085 CA GLN A 67 3.936 10.480 4.771 1.00 63.53 C ATOM 1086 C GLN A 67 5.047 10.850 3.775 1.00 4.33 C ATOM 1087 O GLN A 67 6.004 10.093 3.588 1.00 12.21 O ATOM 1088 CB GLN A 67 4.474 10.585 6.210 1.00 72.31 C ATOM 1089 CG GLN A 67 3.409 10.400 7.293 1.00 22.24 C ATOM 1090 CD GLN A 67 2.928 8.965 7.413 1.00 24.42 C ATOM 1091 OE1 GLN A 67 3.678 8.027 7.185 1.00 60.22 O ATOM 1092 NE2 GLN A 67 1.673 8.784 7.769 1.00 54.42 N ATOM 0 H GLN A 67 3.891 8.388 4.998 1.00 2.43 H new ATOM 0 HA GLN A 67 3.109 11.181 4.655 1.00 63.53 H new ATOM 0 HB2 GLN A 67 5.253 9.835 6.350 1.00 72.31 H new ATOM 0 HB3 GLN A 67 4.943 11.560 6.340 1.00 72.31 H new ATOM 0 HG2 GLN A 67 3.814 10.723 8.252 1.00 22.24 H new ATOM 0 HG3 GLN A 67 2.559 11.045 7.073 1.00 22.24 H new ATOM 0 HE21 GLN A 67 1.074 9.589 7.952 1.00 54.42 H new ATOM 0 HE22 GLN A 67 1.300 7.839 7.862 1.00 54.42 H new ATOM 1101 N TYR A 68 4.912 12.011 3.136 1.00 25.40 N ATOM 1102 CA TYR A 68 5.919 12.498 2.188 1.00 14.42 C ATOM 1103 C TYR A 68 6.969 13.352 2.917 1.00 44.24 C ATOM 1104 O TYR A 68 6.755 14.537 3.177 1.00 73.54 O ATOM 1105 CB TYR A 68 5.240 13.308 1.071 1.00 73.32 C ATOM 1106 CG TYR A 68 6.180 13.754 -0.040 1.00 1.14 C ATOM 1107 CD1 TYR A 68 6.797 12.823 -0.870 1.00 14.32 C ATOM 1108 CD2 TYR A 68 6.433 15.103 -0.268 1.00 22.23 C ATOM 1109 CE1 TYR A 68 7.638 13.223 -1.892 1.00 32.33 C ATOM 1110 CE2 TYR A 68 7.277 15.510 -1.286 1.00 73.00 C ATOM 1111 CZ TYR A 68 7.875 14.567 -2.095 1.00 4.53 C ATOM 1112 OH TYR A 68 8.715 14.967 -3.113 1.00 74.20 O ATOM 0 H TYR A 68 4.114 12.635 3.256 1.00 25.40 H new ATOM 0 HA TYR A 68 6.426 11.644 1.739 1.00 14.42 H new ATOM 0 HB2 TYR A 68 4.442 12.706 0.636 1.00 73.32 H new ATOM 0 HB3 TYR A 68 4.772 14.189 1.510 1.00 73.32 H new ATOM 0 HD1 TYR A 68 6.616 11.770 -0.713 1.00 14.32 H new ATOM 0 HD2 TYR A 68 5.963 15.845 0.360 1.00 22.23 H new ATOM 0 HE1 TYR A 68 8.107 12.487 -2.528 1.00 32.33 H new ATOM 0 HE2 TYR A 68 7.466 16.561 -1.446 1.00 73.00 H new ATOM 0 HH TYR A 68 9.386 15.587 -2.759 1.00 74.20 H new ATOM 1122 N VAL A 69 8.099 12.736 3.255 1.00 53.54 N ATOM 1123 CA VAL A 69 9.130 13.393 4.067 1.00 34.03 C ATOM 1124 C VAL A 69 10.482 13.451 3.337 1.00 23.33 C ATOM 1125 O VAL A 69 11.014 12.421 2.922 1.00 51.12 O ATOM 1126 CB VAL A 69 9.306 12.657 5.423 1.00 44.13 C ATOM 1127 CG1 VAL A 69 10.348 13.351 6.298 1.00 41.33 C ATOM 1128 CG2 VAL A 69 7.968 12.554 6.152 1.00 70.32 C ATOM 0 H VAL A 69 8.328 11.781 2.980 1.00 53.54 H new ATOM 0 HA VAL A 69 8.795 14.415 4.246 1.00 34.03 H new ATOM 0 HB VAL A 69 9.666 11.649 5.216 1.00 44.13 H new ATOM 0 HG11 VAL A 69 10.449 12.812 7.240 1.00 41.33 H new ATOM 0 HG12 VAL A 69 11.308 13.362 5.782 1.00 41.33 H new ATOM 0 HG13 VAL A 69 10.032 14.375 6.497 1.00 41.33 H new ATOM 0 HG21 VAL A 69 8.109 12.036 7.100 1.00 70.32 H new ATOM 0 HG22 VAL A 69 7.578 13.554 6.340 1.00 70.32 H new ATOM 0 HG23 VAL A 69 7.260 11.998 5.537 1.00 70.32 H new ATOM 1138 N ASP A 70 11.024 14.664 3.180 1.00 45.41 N ATOM 1139 CA ASP A 70 12.317 14.875 2.507 1.00 53.43 C ATOM 1140 C ASP A 70 12.339 14.260 1.098 1.00 73.23 C ATOM 1141 O ASP A 70 13.341 13.678 0.678 1.00 1.12 O ATOM 1142 CB ASP A 70 13.464 14.304 3.350 1.00 14.30 C ATOM 1143 CG ASP A 70 13.655 15.049 4.656 1.00 74.40 C ATOM 1144 OD1 ASP A 70 14.091 16.217 4.619 1.00 64.03 O ATOM 1145 OD2 ASP A 70 13.370 14.476 5.729 1.00 43.02 O ATOM 0 H ASP A 70 10.585 15.523 3.512 1.00 45.41 H new ATOM 0 HA ASP A 70 12.453 15.951 2.401 1.00 53.43 H new ATOM 0 HB2 ASP A 70 13.266 13.253 3.561 1.00 14.30 H new ATOM 0 HB3 ASP A 70 14.389 14.345 2.774 1.00 14.30 H new ATOM 1150 N ASN A 71 11.229 14.406 0.373 1.00 54.13 N ATOM 1151 CA ASN A 71 11.092 13.872 -0.992 1.00 14.51 C ATOM 1152 C ASN A 71 11.076 12.335 -1.017 1.00 41.32 C ATOM 1153 O ASN A 71 11.218 11.714 -2.074 1.00 40.53 O ATOM 1154 CB ASN A 71 12.204 14.420 -1.902 1.00 44.34 C ATOM 1155 CG ASN A 71 12.128 15.930 -2.055 1.00 24.35 C ATOM 1156 OD1 ASN A 71 11.046 16.510 -2.037 1.00 61.31 O ATOM 1157 ND2 ASN A 71 13.265 16.580 -2.194 1.00 31.23 N ATOM 0 H ASN A 71 10.400 14.895 0.710 1.00 54.13 H new ATOM 0 HA ASN A 71 10.128 14.208 -1.374 1.00 14.51 H new ATOM 0 HB2 ASN A 71 13.176 14.147 -1.491 1.00 44.34 H new ATOM 0 HB3 ASN A 71 12.131 13.953 -2.884 1.00 44.34 H new ATOM 0 HD21 ASN A 71 13.263 17.595 -2.291 1.00 31.23 H new ATOM 0 HD22 ASN A 71 14.147 16.068 -2.205 1.00 31.23 H new ATOM 1164 N MET A 72 10.880 11.723 0.148 1.00 51.02 N ATOM 1165 CA MET A 72 10.790 10.266 0.260 1.00 51.40 C ATOM 1166 C MET A 72 9.431 9.833 0.836 1.00 3.00 C ATOM 1167 O MET A 72 8.968 10.380 1.840 1.00 53.44 O ATOM 1168 CB MET A 72 11.921 9.734 1.151 1.00 12.43 C ATOM 1169 CG MET A 72 13.318 10.062 0.639 1.00 1.13 C ATOM 1170 SD MET A 72 14.620 9.414 1.709 1.00 34.25 S ATOM 1171 CE MET A 72 14.238 10.243 3.255 1.00 42.01 C ATOM 0 H MET A 72 10.780 12.216 1.035 1.00 51.02 H new ATOM 0 HA MET A 72 10.887 9.847 -0.742 1.00 51.40 H new ATOM 0 HB2 MET A 72 11.806 10.148 2.153 1.00 12.43 H new ATOM 0 HB3 MET A 72 11.822 8.652 1.239 1.00 12.43 H new ATOM 0 HG2 MET A 72 13.439 9.652 -0.364 1.00 1.13 H new ATOM 0 HG3 MET A 72 13.426 11.143 0.556 1.00 1.13 H new ATOM 0 HE1 MET A 72 15.160 10.602 3.713 1.00 42.01 H new ATOM 0 HE2 MET A 72 13.576 11.087 3.061 1.00 42.01 H new ATOM 0 HE3 MET A 72 13.746 9.544 3.931 1.00 42.01 H new ATOM 1181 N TYR A 73 8.800 8.860 0.193 1.00 52.44 N ATOM 1182 CA TYR A 73 7.538 8.295 0.682 1.00 22.53 C ATOM 1183 C TYR A 73 7.802 7.222 1.749 1.00 13.40 C ATOM 1184 O TYR A 73 8.490 6.234 1.493 1.00 2.22 O ATOM 1185 CB TYR A 73 6.743 7.676 -0.475 1.00 42.54 C ATOM 1186 CG TYR A 73 6.323 8.664 -1.550 1.00 51.44 C ATOM 1187 CD1 TYR A 73 5.156 9.412 -1.420 1.00 20.25 C ATOM 1188 CD2 TYR A 73 7.086 8.837 -2.700 1.00 5.01 C ATOM 1189 CE1 TYR A 73 4.763 10.302 -2.404 1.00 61.33 C ATOM 1190 CE2 TYR A 73 6.699 9.723 -3.688 1.00 15.43 C ATOM 1191 CZ TYR A 73 5.539 10.454 -3.537 1.00 43.30 C ATOM 1192 OH TYR A 73 5.147 11.335 -4.525 1.00 53.12 O ATOM 0 H TYR A 73 9.139 8.440 -0.673 1.00 52.44 H new ATOM 0 HA TYR A 73 6.958 9.104 1.126 1.00 22.53 H new ATOM 0 HB2 TYR A 73 7.345 6.892 -0.935 1.00 42.54 H new ATOM 0 HB3 TYR A 73 5.851 7.197 -0.071 1.00 42.54 H new ATOM 0 HD1 TYR A 73 4.547 9.296 -0.536 1.00 20.25 H new ATOM 0 HD2 TYR A 73 7.996 8.269 -2.823 1.00 5.01 H new ATOM 0 HE1 TYR A 73 3.855 10.875 -2.287 1.00 61.33 H new ATOM 0 HE2 TYR A 73 7.303 9.842 -4.575 1.00 15.43 H new ATOM 0 HH TYR A 73 5.803 11.324 -5.253 1.00 53.12 H new ATOM 1202 N ARG A 74 7.242 7.416 2.941 1.00 31.52 N ATOM 1203 CA ARG A 74 7.483 6.505 4.068 1.00 32.33 C ATOM 1204 C ARG A 74 6.183 6.125 4.798 1.00 25.42 C ATOM 1205 O ARG A 74 5.248 6.919 4.879 1.00 74.21 O ATOM 1206 CB ARG A 74 8.461 7.157 5.061 1.00 22.54 C ATOM 1207 CG ARG A 74 8.028 8.553 5.504 1.00 34.11 C ATOM 1208 CD ARG A 74 8.876 9.086 6.655 1.00 2.03 C ATOM 1209 NE ARG A 74 8.765 8.265 7.859 1.00 12.42 N ATOM 1210 CZ ARG A 74 7.666 8.107 8.557 1.00 24.44 C ATOM 1211 NH1 ARG A 74 6.555 8.668 8.191 1.00 53.20 N ATOM 1212 NH2 ARG A 74 7.678 7.375 9.619 1.00 55.15 N ATOM 0 H ARG A 74 6.618 8.194 3.156 1.00 31.52 H new ATOM 0 HA ARG A 74 7.912 5.589 3.663 1.00 32.33 H new ATOM 0 HB2 ARG A 74 8.557 6.518 5.939 1.00 22.54 H new ATOM 0 HB3 ARG A 74 9.448 7.218 4.602 1.00 22.54 H new ATOM 0 HG2 ARG A 74 8.096 9.237 4.658 1.00 34.11 H new ATOM 0 HG3 ARG A 74 6.982 8.527 5.809 1.00 34.11 H new ATOM 0 HD2 ARG A 74 9.920 9.129 6.343 1.00 2.03 H new ATOM 0 HD3 ARG A 74 8.570 10.106 6.885 1.00 2.03 H new ATOM 0 HE ARG A 74 9.603 7.780 8.180 1.00 12.42 H new ATOM 0 HH11 ARG A 74 6.527 9.242 7.349 1.00 53.20 H new ATOM 0 HH12 ARG A 74 5.709 8.535 8.746 1.00 53.20 H new ATOM 0 HH21 ARG A 74 8.542 6.920 9.915 1.00 55.15 H new ATOM 0 HH22 ARG A 74 6.824 7.251 10.163 1.00 55.15 H new ATOM 1226 N PHE A 75 6.137 4.897 5.316 1.00 41.23 N ATOM 1227 CA PHE A 75 5.022 4.438 6.158 1.00 44.31 C ATOM 1228 C PHE A 75 5.353 4.583 7.651 1.00 14.20 C ATOM 1229 O PHE A 75 4.554 5.100 8.434 1.00 63.42 O ATOM 1230 CB PHE A 75 4.693 2.968 5.870 1.00 0.04 C ATOM 1231 CG PHE A 75 4.028 2.721 4.540 1.00 42.51 C ATOM 1232 CD1 PHE A 75 2.673 2.973 4.374 1.00 14.22 C ATOM 1233 CD2 PHE A 75 4.747 2.219 3.463 1.00 21.41 C ATOM 1234 CE1 PHE A 75 2.051 2.731 3.165 1.00 41.43 C ATOM 1235 CE2 PHE A 75 4.127 1.979 2.249 1.00 11.15 C ATOM 1236 CZ PHE A 75 2.779 2.234 2.101 1.00 2.31 C ATOM 0 H PHE A 75 6.862 4.195 5.168 1.00 41.23 H new ATOM 0 HA PHE A 75 4.162 5.063 5.918 1.00 44.31 H new ATOM 0 HB2 PHE A 75 5.615 2.388 5.913 1.00 0.04 H new ATOM 0 HB3 PHE A 75 4.043 2.593 6.661 1.00 0.04 H new ATOM 0 HD1 PHE A 75 2.098 3.363 5.201 1.00 14.22 H new ATOM 0 HD2 PHE A 75 5.801 2.014 3.574 1.00 21.41 H new ATOM 0 HE1 PHE A 75 0.996 2.930 3.051 1.00 41.43 H new ATOM 0 HE2 PHE A 75 4.698 1.592 1.418 1.00 11.15 H new ATOM 0 HZ PHE A 75 2.294 2.045 1.155 1.00 2.31 H new ATOM 1246 N GLU A 76 6.539 4.112 8.037 1.00 62.11 N ATOM 1247 CA GLU A 76 6.945 4.079 9.447 1.00 4.31 C ATOM 1248 C GLU A 76 8.470 4.223 9.591 1.00 1.11 C ATOM 1249 O GLU A 76 8.964 5.171 10.205 1.00 45.21 O ATOM 1250 CB GLU A 76 6.475 2.763 10.082 1.00 31.32 C ATOM 1251 CG GLU A 76 6.821 2.618 11.558 1.00 62.32 C ATOM 1252 CD GLU A 76 6.342 1.295 12.137 1.00 35.12 C ATOM 1253 OE1 GLU A 76 7.038 0.276 11.954 1.00 21.12 O ATOM 1254 OE2 GLU A 76 5.263 1.272 12.769 1.00 44.15 O ATOM 0 H GLU A 76 7.240 3.746 7.392 1.00 62.11 H new ATOM 0 HA GLU A 76 6.481 4.921 9.962 1.00 4.31 H new ATOM 0 HB2 GLU A 76 5.394 2.683 9.965 1.00 31.32 H new ATOM 0 HB3 GLU A 76 6.917 1.931 9.534 1.00 31.32 H new ATOM 0 HG2 GLU A 76 7.901 2.698 11.685 1.00 62.32 H new ATOM 0 HG3 GLU A 76 6.373 3.440 12.116 1.00 62.32 H new ATOM 1261 N GLY A 77 9.212 3.272 9.023 1.00 53.31 N ATOM 1262 CA GLY A 77 10.670 3.335 9.056 1.00 34.20 C ATOM 1263 C GLY A 77 11.270 3.983 7.811 1.00 34.44 C ATOM 1264 O GLY A 77 10.946 5.125 7.478 1.00 14.14 O ATOM 0 H GLY A 77 8.831 2.458 8.540 1.00 53.31 H new ATOM 0 HA2 GLY A 77 10.984 3.895 9.937 1.00 34.20 H new ATOM 0 HA3 GLY A 77 11.069 2.326 9.161 1.00 34.20 H new ATOM 1268 N THR A 78 12.143 3.253 7.120 1.00 32.23 N ATOM 1269 CA THR A 78 12.805 3.763 5.907 1.00 1.22 C ATOM 1270 C THR A 78 11.818 3.934 4.738 1.00 70.22 C ATOM 1271 O THR A 78 10.938 3.096 4.521 1.00 1.23 O ATOM 1272 CB THR A 78 13.968 2.831 5.467 1.00 21.12 C ATOM 1273 OG1 THR A 78 14.995 2.820 6.476 1.00 52.10 O ATOM 1274 CG2 THR A 78 14.576 3.271 4.135 1.00 12.31 C ATOM 0 H THR A 78 12.413 2.303 7.375 1.00 32.23 H new ATOM 0 HA THR A 78 13.207 4.743 6.164 1.00 1.22 H new ATOM 0 HB THR A 78 13.556 1.830 5.339 1.00 21.12 H new ATOM 0 HG1 THR A 78 15.724 2.230 6.194 1.00 52.10 H new ATOM 0 HG21 THR A 78 15.385 2.594 3.863 1.00 12.31 H new ATOM 0 HG22 THR A 78 13.809 3.250 3.360 1.00 12.31 H new ATOM 0 HG23 THR A 78 14.967 4.284 4.231 1.00 12.31 H new ATOM 1282 N GLY A 79 11.974 5.025 3.986 1.00 4.04 N ATOM 1283 CA GLY A 79 11.093 5.309 2.854 1.00 61.24 C ATOM 1284 C GLY A 79 11.840 5.463 1.528 1.00 21.30 C ATOM 1285 O GLY A 79 13.067 5.566 1.507 1.00 62.20 O ATOM 0 H GLY A 79 12.700 5.724 4.141 1.00 4.04 H new ATOM 0 HA2 GLY A 79 10.363 4.505 2.760 1.00 61.24 H new ATOM 0 HA3 GLY A 79 10.536 6.223 3.057 1.00 61.24 H new ATOM 1289 N PHE A 80 11.094 5.492 0.423 1.00 14.24 N ATOM 1290 CA PHE A 80 11.678 5.608 -0.925 1.00 13.54 C ATOM 1291 C PHE A 80 11.099 6.819 -1.679 1.00 11.42 C ATOM 1292 O PHE A 80 9.915 7.128 -1.560 1.00 12.03 O ATOM 1293 CB PHE A 80 11.424 4.323 -1.733 1.00 75.43 C ATOM 1294 CG PHE A 80 12.199 3.120 -1.245 1.00 63.33 C ATOM 1295 CD1 PHE A 80 11.845 2.470 -0.071 1.00 22.23 C ATOM 1296 CD2 PHE A 80 13.278 2.634 -1.973 1.00 3.00 C ATOM 1297 CE1 PHE A 80 12.550 1.368 0.369 1.00 62.32 C ATOM 1298 CE2 PHE A 80 13.987 1.533 -1.536 1.00 43.03 C ATOM 1299 CZ PHE A 80 13.622 0.897 -0.364 1.00 1.11 C ATOM 0 H PHE A 80 10.076 5.437 0.430 1.00 14.24 H new ATOM 0 HA PHE A 80 12.752 5.754 -0.810 1.00 13.54 H new ATOM 0 HB2 PHE A 80 10.359 4.092 -1.702 1.00 75.43 H new ATOM 0 HB3 PHE A 80 11.680 4.507 -2.776 1.00 75.43 H new ATOM 0 HD1 PHE A 80 11.007 2.831 0.506 1.00 22.23 H new ATOM 0 HD2 PHE A 80 13.566 3.123 -2.892 1.00 3.00 H new ATOM 0 HE1 PHE A 80 12.264 0.874 1.286 1.00 62.32 H new ATOM 0 HE2 PHE A 80 14.826 1.169 -2.109 1.00 43.03 H new ATOM 0 HZ PHE A 80 14.174 0.034 -0.022 1.00 1.11 H new ATOM 1309 N SER A 81 11.936 7.484 -2.477 1.00 3.32 N ATOM 1310 CA SER A 81 11.526 8.701 -3.209 1.00 70.35 C ATOM 1311 C SER A 81 10.427 8.416 -4.247 1.00 75.04 C ATOM 1312 O SER A 81 9.756 9.331 -4.725 1.00 31.41 O ATOM 1313 CB SER A 81 12.740 9.345 -3.896 1.00 34.43 C ATOM 1314 OG SER A 81 12.401 10.580 -4.518 1.00 14.33 O ATOM 0 H SER A 81 12.904 7.206 -2.638 1.00 3.32 H new ATOM 0 HA SER A 81 11.112 9.392 -2.474 1.00 70.35 H new ATOM 0 HB2 SER A 81 13.527 9.512 -3.161 1.00 34.43 H new ATOM 0 HB3 SER A 81 13.141 8.660 -4.643 1.00 34.43 H new ATOM 0 HG SER A 81 11.964 11.166 -3.865 1.00 14.33 H new ATOM 1320 N ASN A 82 10.255 7.144 -4.592 1.00 40.10 N ATOM 1321 CA ASN A 82 9.213 6.724 -5.536 1.00 43.42 C ATOM 1322 C ASN A 82 8.277 5.683 -4.903 1.00 53.24 C ATOM 1323 O ASN A 82 8.738 4.689 -4.335 1.00 42.01 O ATOM 1324 CB ASN A 82 9.851 6.140 -6.801 1.00 53.00 C ATOM 1325 CG ASN A 82 10.743 7.138 -7.516 1.00 54.10 C ATOM 1326 OD1 ASN A 82 10.308 7.840 -8.418 1.00 62.22 O ATOM 1327 ND2 ASN A 82 11.996 7.212 -7.115 1.00 73.21 N ATOM 0 H ASN A 82 10.825 6.379 -4.232 1.00 40.10 H new ATOM 0 HA ASN A 82 8.624 7.603 -5.798 1.00 43.42 H new ATOM 0 HB2 ASN A 82 10.436 5.260 -6.536 1.00 53.00 H new ATOM 0 HB3 ASN A 82 9.066 5.808 -7.480 1.00 53.00 H new ATOM 0 HD21 ASN A 82 12.636 7.870 -7.560 1.00 73.21 H new ATOM 0 HD22 ASN A 82 12.326 6.611 -6.359 1.00 73.21 H new ATOM 1334 N ILE A 83 6.966 5.906 -5.017 1.00 62.24 N ATOM 1335 CA ILE A 83 5.967 4.967 -4.482 1.00 12.24 C ATOM 1336 C ILE A 83 6.116 3.552 -5.089 1.00 61.43 C ATOM 1337 O ILE A 83 6.120 2.564 -4.348 1.00 31.15 O ATOM 1338 CB ILE A 83 4.517 5.485 -4.697 1.00 21.43 C ATOM 1339 CG1 ILE A 83 4.335 6.851 -4.017 1.00 71.21 C ATOM 1340 CG2 ILE A 83 3.496 4.479 -4.157 1.00 53.43 C ATOM 1341 CD1 ILE A 83 2.954 7.449 -4.191 1.00 35.05 C ATOM 0 H ILE A 83 6.568 6.726 -5.474 1.00 62.24 H new ATOM 0 HA ILE A 83 6.156 4.899 -3.411 1.00 12.24 H new ATOM 0 HB ILE A 83 4.348 5.601 -5.768 1.00 21.43 H new ATOM 0 HG12 ILE A 83 4.542 6.745 -2.952 1.00 71.21 H new ATOM 0 HG13 ILE A 83 5.073 7.546 -4.418 1.00 71.21 H new ATOM 0 HG21 ILE A 83 2.488 4.862 -4.318 1.00 53.43 H new ATOM 0 HG22 ILE A 83 3.611 3.529 -4.678 1.00 53.43 H new ATOM 0 HG23 ILE A 83 3.661 4.330 -3.090 1.00 53.43 H new ATOM 0 HD11 ILE A 83 2.908 8.412 -3.682 1.00 35.05 H new ATOM 0 HD12 ILE A 83 2.749 7.589 -5.252 1.00 35.05 H new ATOM 0 HD13 ILE A 83 2.210 6.777 -3.764 1.00 35.05 H new ATOM 1353 N PRO A 84 6.248 3.417 -6.436 1.00 10.12 N ATOM 1354 CA PRO A 84 6.506 2.111 -7.072 1.00 4.12 C ATOM 1355 C PRO A 84 7.711 1.386 -6.443 1.00 33.35 C ATOM 1356 O PRO A 84 7.627 0.211 -6.100 1.00 62.52 O ATOM 1357 CB PRO A 84 6.774 2.463 -8.553 1.00 51.45 C ATOM 1358 CG PRO A 84 6.952 3.948 -8.586 1.00 12.42 C ATOM 1359 CD PRO A 84 6.143 4.489 -7.441 1.00 23.33 C ATOM 0 HA PRO A 84 5.670 1.423 -6.945 1.00 4.12 H new ATOM 0 HB2 PRO A 84 7.664 1.953 -8.923 1.00 51.45 H new ATOM 0 HB3 PRO A 84 5.943 2.153 -9.186 1.00 51.45 H new ATOM 0 HG2 PRO A 84 8.003 4.217 -8.482 1.00 12.42 H new ATOM 0 HG3 PRO A 84 6.609 4.361 -9.535 1.00 12.42 H new ATOM 0 HD2 PRO A 84 6.545 5.432 -7.071 1.00 23.33 H new ATOM 0 HD3 PRO A 84 5.108 4.675 -7.728 1.00 23.33 H new ATOM 1367 N GLN A 85 8.822 2.105 -6.266 1.00 64.44 N ATOM 1368 CA GLN A 85 10.026 1.538 -5.636 1.00 63.01 C ATOM 1369 C GLN A 85 9.758 1.120 -4.178 1.00 23.01 C ATOM 1370 O GLN A 85 10.202 0.062 -3.733 1.00 15.44 O ATOM 1371 CB GLN A 85 11.184 2.550 -5.688 1.00 43.33 C ATOM 1372 CG GLN A 85 11.792 2.732 -7.075 1.00 42.03 C ATOM 1373 CD GLN A 85 12.483 1.474 -7.583 1.00 25.20 C ATOM 1374 OE1 GLN A 85 13.660 1.254 -7.330 1.00 63.23 O ATOM 1375 NE2 GLN A 85 11.764 0.645 -8.316 1.00 62.42 N ATOM 0 H GLN A 85 8.917 3.081 -6.548 1.00 64.44 H new ATOM 0 HA GLN A 85 10.303 0.645 -6.197 1.00 63.01 H new ATOM 0 HB2 GLN A 85 10.825 3.515 -5.331 1.00 43.33 H new ATOM 0 HB3 GLN A 85 11.966 2.227 -5.000 1.00 43.33 H new ATOM 0 HG2 GLN A 85 11.008 3.019 -7.776 1.00 42.03 H new ATOM 0 HG3 GLN A 85 12.511 3.551 -7.048 1.00 42.03 H new ATOM 0 HE21 GLN A 85 10.785 0.854 -8.511 1.00 62.42 H new ATOM 0 HE22 GLN A 85 12.187 -0.205 -8.688 1.00 62.42 H new ATOM 1384 N LEU A 86 9.030 1.959 -3.445 1.00 2.54 N ATOM 1385 CA LEU A 86 8.678 1.673 -2.049 1.00 1.30 C ATOM 1386 C LEU A 86 7.915 0.341 -1.926 1.00 43.44 C ATOM 1387 O LEU A 86 8.346 -0.588 -1.222 1.00 31.31 O ATOM 1388 CB LEU A 86 7.831 2.828 -1.489 1.00 61.04 C ATOM 1389 CG LEU A 86 7.325 2.661 -0.045 1.00 60.40 C ATOM 1390 CD1 LEU A 86 8.488 2.562 0.940 1.00 33.01 C ATOM 1391 CD2 LEU A 86 6.396 3.817 0.328 1.00 14.13 C ATOM 0 H LEU A 86 8.669 2.847 -3.793 1.00 2.54 H new ATOM 0 HA LEU A 86 9.597 1.581 -1.471 1.00 1.30 H new ATOM 0 HB2 LEU A 86 8.421 3.743 -1.542 1.00 61.04 H new ATOM 0 HB3 LEU A 86 6.968 2.968 -2.140 1.00 61.04 H new ATOM 0 HG LEU A 86 6.762 1.729 0.012 1.00 60.40 H new ATOM 0 HD11 LEU A 86 8.099 2.445 1.951 1.00 33.01 H new ATOM 0 HD12 LEU A 86 9.107 1.701 0.687 1.00 33.01 H new ATOM 0 HD13 LEU A 86 9.089 3.470 0.885 1.00 33.01 H new ATOM 0 HD21 LEU A 86 6.045 3.686 1.352 1.00 14.13 H new ATOM 0 HD22 LEU A 86 6.938 4.760 0.247 1.00 14.13 H new ATOM 0 HD23 LEU A 86 5.542 3.830 -0.349 1.00 14.13 H new ATOM 1403 N ILE A 87 6.791 0.246 -2.632 1.00 43.21 N ATOM 1404 CA ILE A 87 5.939 -0.946 -2.582 1.00 40.11 C ATOM 1405 C ILE A 87 6.629 -2.168 -3.213 1.00 71.13 C ATOM 1406 O ILE A 87 6.707 -3.227 -2.593 1.00 34.30 O ATOM 1407 CB ILE A 87 4.585 -0.692 -3.292 1.00 34.33 C ATOM 1408 CG1 ILE A 87 3.847 0.493 -2.638 1.00 30.14 C ATOM 1409 CG2 ILE A 87 3.709 -1.948 -3.269 1.00 51.21 C ATOM 1410 CD1 ILE A 87 3.524 0.286 -1.169 1.00 33.12 C ATOM 0 H ILE A 87 6.446 0.981 -3.249 1.00 43.21 H new ATOM 0 HA ILE A 87 5.757 -1.159 -1.529 1.00 40.11 H new ATOM 0 HB ILE A 87 4.790 -0.442 -4.333 1.00 34.33 H new ATOM 0 HG12 ILE A 87 4.458 1.390 -2.742 1.00 30.14 H new ATOM 0 HG13 ILE A 87 2.919 0.674 -3.181 1.00 30.14 H new ATOM 0 HG21 ILE A 87 2.765 -1.742 -3.774 1.00 51.21 H new ATOM 0 HG22 ILE A 87 4.225 -2.761 -3.781 1.00 51.21 H new ATOM 0 HG23 ILE A 87 3.513 -2.236 -2.236 1.00 51.21 H new ATOM 0 HD11 ILE A 87 3.006 1.164 -0.783 1.00 33.12 H new ATOM 0 HD12 ILE A 87 2.886 -0.591 -1.057 1.00 33.12 H new ATOM 0 HD13 ILE A 87 4.448 0.136 -0.611 1.00 33.12 H new ATOM 1422 N ASP A 88 7.144 -2.007 -4.433 1.00 73.03 N ATOM 1423 CA ASP A 88 7.787 -3.110 -5.164 1.00 0.12 C ATOM 1424 C ASP A 88 8.971 -3.711 -4.385 1.00 20.13 C ATOM 1425 O ASP A 88 9.106 -4.932 -4.291 1.00 61.51 O ATOM 1426 CB ASP A 88 8.252 -2.630 -6.541 1.00 71.22 C ATOM 1427 CG ASP A 88 8.835 -3.752 -7.383 1.00 51.33 C ATOM 1428 OD1 ASP A 88 8.052 -4.517 -7.984 1.00 44.03 O ATOM 1429 OD2 ASP A 88 10.075 -3.879 -7.444 1.00 24.43 O ATOM 0 H ASP A 88 7.130 -1.122 -4.940 1.00 73.03 H new ATOM 0 HA ASP A 88 7.043 -3.897 -5.285 1.00 0.12 H new ATOM 0 HB2 ASP A 88 7.410 -2.183 -7.070 1.00 71.22 H new ATOM 0 HB3 ASP A 88 9.001 -1.848 -6.416 1.00 71.22 H new ATOM 1434 N HIS A 89 9.824 -2.856 -3.825 1.00 13.53 N ATOM 1435 CA HIS A 89 10.973 -3.336 -3.052 1.00 4.32 C ATOM 1436 C HIS A 89 10.518 -4.168 -1.841 1.00 33.45 C ATOM 1437 O HIS A 89 11.089 -5.218 -1.559 1.00 33.41 O ATOM 1438 CB HIS A 89 11.859 -2.170 -2.593 1.00 43.01 C ATOM 1439 CG HIS A 89 13.145 -2.609 -1.953 1.00 64.24 C ATOM 1440 ND1 HIS A 89 14.217 -3.094 -2.670 1.00 63.12 N ATOM 1441 CD2 HIS A 89 13.526 -2.647 -0.651 1.00 1.02 C ATOM 1442 CE1 HIS A 89 15.195 -3.407 -1.847 1.00 11.43 C ATOM 1443 NE2 HIS A 89 14.803 -3.147 -0.617 1.00 72.42 N ATOM 0 H HIS A 89 9.746 -1.841 -3.889 1.00 13.53 H new ATOM 0 HA HIS A 89 11.562 -3.977 -3.708 1.00 4.32 H new ATOM 0 HB2 HIS A 89 12.087 -1.538 -3.451 1.00 43.01 H new ATOM 0 HB3 HIS A 89 11.301 -1.557 -1.885 1.00 43.01 H new ATOM 0 HD2 HIS A 89 12.935 -2.341 0.199 1.00 1.02 H new ATOM 0 HE1 HIS A 89 16.156 -3.809 -2.132 1.00 11.43 H new ATOM 0 HE2 HIS A 89 15.359 -3.294 0.225 1.00 72.42 H new ATOM 1452 N HIS A 90 9.488 -3.701 -1.129 1.00 13.31 N ATOM 1453 CA HIS A 90 8.931 -4.463 0.001 1.00 12.42 C ATOM 1454 C HIS A 90 8.227 -5.751 -0.471 1.00 64.52 C ATOM 1455 O HIS A 90 8.323 -6.792 0.177 1.00 60.42 O ATOM 1456 CB HIS A 90 7.961 -3.601 0.823 1.00 41.41 C ATOM 1457 CG HIS A 90 8.644 -2.626 1.733 1.00 22.14 C ATOM 1458 ND1 HIS A 90 8.855 -1.301 1.411 1.00 5.23 N ATOM 1459 CD2 HIS A 90 9.159 -2.791 2.973 1.00 32.35 C ATOM 1460 CE1 HIS A 90 9.469 -0.700 2.412 1.00 10.33 C ATOM 1461 NE2 HIS A 90 9.664 -1.580 3.370 1.00 44.33 N ATOM 0 H HIS A 90 9.025 -2.810 -1.309 1.00 13.31 H new ATOM 0 HA HIS A 90 9.769 -4.750 0.637 1.00 12.42 H new ATOM 0 HB2 HIS A 90 7.309 -3.054 0.142 1.00 41.41 H new ATOM 0 HB3 HIS A 90 7.323 -4.255 1.418 1.00 41.41 H new ATOM 0 HD1 HIS A 90 8.579 -0.856 0.536 1.00 5.23 H new ATOM 0 HD2 HIS A 90 9.170 -3.707 3.544 1.00 32.35 H new ATOM 0 HE1 HIS A 90 9.762 0.339 2.440 1.00 10.33 H new ATOM 1470 N TYR A 91 7.533 -5.670 -1.602 1.00 73.41 N ATOM 1471 CA TYR A 91 6.825 -6.823 -2.178 1.00 75.12 C ATOM 1472 C TYR A 91 7.803 -7.943 -2.577 1.00 14.14 C ATOM 1473 O TYR A 91 7.562 -9.122 -2.312 1.00 11.31 O ATOM 1474 CB TYR A 91 6.008 -6.371 -3.399 1.00 72.03 C ATOM 1475 CG TYR A 91 5.235 -7.488 -4.081 1.00 20.13 C ATOM 1476 CD1 TYR A 91 4.001 -7.906 -3.595 1.00 62.54 C ATOM 1477 CD2 TYR A 91 5.740 -8.122 -5.215 1.00 31.24 C ATOM 1478 CE1 TYR A 91 3.296 -8.925 -4.212 1.00 1.22 C ATOM 1479 CE2 TYR A 91 5.040 -9.140 -5.836 1.00 13.22 C ATOM 1480 CZ TYR A 91 3.819 -9.537 -5.332 1.00 10.14 C ATOM 1481 OH TYR A 91 3.129 -10.558 -5.947 1.00 60.34 O ATOM 0 H TYR A 91 7.442 -4.812 -2.147 1.00 73.41 H new ATOM 0 HA TYR A 91 6.154 -7.225 -1.419 1.00 75.12 H new ATOM 0 HB2 TYR A 91 5.306 -5.598 -3.086 1.00 72.03 H new ATOM 0 HB3 TYR A 91 6.682 -5.916 -4.124 1.00 72.03 H new ATOM 0 HD1 TYR A 91 3.585 -7.427 -2.721 1.00 62.54 H new ATOM 0 HD2 TYR A 91 6.694 -7.813 -5.615 1.00 31.24 H new ATOM 0 HE1 TYR A 91 2.341 -9.239 -3.818 1.00 1.22 H new ATOM 0 HE2 TYR A 91 5.448 -9.622 -6.712 1.00 13.22 H new ATOM 0 HH TYR A 91 3.638 -10.877 -6.722 1.00 60.34 H new ATOM 1491 N THR A 92 8.904 -7.559 -3.222 1.00 70.43 N ATOM 1492 CA THR A 92 9.931 -8.515 -3.663 1.00 4.43 C ATOM 1493 C THR A 92 10.733 -9.087 -2.483 1.00 62.45 C ATOM 1494 O THR A 92 10.964 -10.296 -2.410 1.00 3.21 O ATOM 1495 CB THR A 92 10.909 -7.866 -4.673 1.00 24.53 C ATOM 1496 OG1 THR A 92 11.465 -6.659 -4.126 1.00 51.14 O ATOM 1497 CG2 THR A 92 10.206 -7.550 -5.988 1.00 63.25 C ATOM 0 H THR A 92 9.112 -6.588 -3.454 1.00 70.43 H new ATOM 0 HA THR A 92 9.398 -9.332 -4.150 1.00 4.43 H new ATOM 0 HB THR A 92 11.710 -8.579 -4.866 1.00 24.53 H new ATOM 0 HG1 THR A 92 10.810 -5.934 -4.201 1.00 51.14 H new ATOM 0 HG21 THR A 92 10.915 -7.095 -6.680 1.00 63.25 H new ATOM 0 HG22 THR A 92 9.815 -8.470 -6.422 1.00 63.25 H new ATOM 0 HG23 THR A 92 9.384 -6.858 -5.804 1.00 63.25 H new ATOM 1505 N THR A 93 11.155 -8.220 -1.563 1.00 62.23 N ATOM 1506 CA THR A 93 11.901 -8.658 -0.366 1.00 11.10 C ATOM 1507 C THR A 93 10.979 -9.298 0.682 1.00 64.34 C ATOM 1508 O THR A 93 11.448 -9.880 1.664 1.00 63.25 O ATOM 1509 CB THR A 93 12.666 -7.486 0.296 1.00 54.11 C ATOM 1510 OG1 THR A 93 11.744 -6.474 0.734 1.00 43.23 O ATOM 1511 CG2 THR A 93 13.669 -6.873 -0.674 1.00 11.45 C ATOM 0 H THR A 93 10.998 -7.214 -1.616 1.00 62.23 H new ATOM 0 HA THR A 93 12.616 -9.403 -0.716 1.00 11.10 H new ATOM 0 HB THR A 93 13.207 -7.882 1.156 1.00 54.11 H new ATOM 0 HG1 THR A 93 11.333 -6.047 -0.046 1.00 43.23 H new ATOM 0 HG21 THR A 93 14.193 -6.052 -0.185 1.00 11.45 H new ATOM 0 HG22 THR A 93 14.389 -7.632 -0.981 1.00 11.45 H new ATOM 0 HG23 THR A 93 13.143 -6.496 -1.551 1.00 11.45 H new ATOM 1519 N LYS A 94 9.666 -9.166 0.472 1.00 32.12 N ATOM 1520 CA LYS A 94 8.646 -9.778 1.335 1.00 43.01 C ATOM 1521 C LYS A 94 8.704 -9.221 2.770 1.00 44.51 C ATOM 1522 O LYS A 94 8.364 -9.906 3.740 1.00 51.24 O ATOM 1523 CB LYS A 94 8.799 -11.313 1.333 1.00 21.10 C ATOM 1524 CG LYS A 94 7.469 -12.061 1.412 1.00 63.02 C ATOM 1525 CD LYS A 94 6.583 -11.739 0.209 1.00 13.53 C ATOM 1526 CE LYS A 94 5.287 -12.535 0.221 1.00 71.53 C ATOM 1527 NZ LYS A 94 4.478 -12.269 -0.994 1.00 34.24 N ATOM 0 H LYS A 94 9.277 -8.630 -0.304 1.00 32.12 H new ATOM 0 HA LYS A 94 7.667 -9.522 0.931 1.00 43.01 H new ATOM 0 HB2 LYS A 94 9.323 -11.616 0.427 1.00 21.10 H new ATOM 0 HB3 LYS A 94 9.423 -11.609 2.176 1.00 21.10 H new ATOM 0 HG2 LYS A 94 7.654 -13.134 1.454 1.00 63.02 H new ATOM 0 HG3 LYS A 94 6.951 -11.791 2.332 1.00 63.02 H new ATOM 0 HD2 LYS A 94 6.353 -10.674 0.204 1.00 13.53 H new ATOM 0 HD3 LYS A 94 7.129 -11.951 -0.710 1.00 13.53 H new ATOM 0 HE2 LYS A 94 5.512 -13.600 0.284 1.00 71.53 H new ATOM 0 HE3 LYS A 94 4.709 -12.278 1.109 1.00 71.53 H new ATOM 0 HZ1 LYS A 94 3.751 -13.006 -1.096 1.00 34.24 H new ATOM 0 HZ2 LYS A 94 4.019 -11.340 -0.909 1.00 34.24 H new ATOM 0 HZ3 LYS A 94 5.096 -12.274 -1.831 1.00 34.24 H new ATOM 1541 N GLN A 95 9.106 -7.958 2.890 1.00 64.52 N ATOM 1542 CA GLN A 95 9.209 -7.290 4.194 1.00 1.41 C ATOM 1543 C GLN A 95 7.884 -6.623 4.600 1.00 45.13 C ATOM 1544 O GLN A 95 7.032 -6.332 3.758 1.00 72.52 O ATOM 1545 CB GLN A 95 10.341 -6.251 4.172 1.00 20.01 C ATOM 1546 CG GLN A 95 11.721 -6.862 3.958 1.00 64.32 C ATOM 1547 CD GLN A 95 12.156 -7.774 5.093 1.00 3.15 C ATOM 1548 OE1 GLN A 95 12.832 -8.773 4.876 1.00 12.23 O ATOM 1549 NE2 GLN A 95 11.814 -7.422 6.319 1.00 14.11 N ATOM 0 H GLN A 95 9.368 -7.370 2.098 1.00 64.52 H new ATOM 0 HA GLN A 95 9.436 -8.054 4.938 1.00 1.41 H new ATOM 0 HB2 GLN A 95 10.145 -5.528 3.380 1.00 20.01 H new ATOM 0 HB3 GLN A 95 10.337 -5.701 5.113 1.00 20.01 H new ATOM 0 HG2 GLN A 95 11.720 -7.428 3.026 1.00 64.32 H new ATOM 0 HG3 GLN A 95 12.452 -6.061 3.844 1.00 64.32 H new ATOM 0 HE21 GLN A 95 11.251 -6.585 6.471 1.00 14.11 H new ATOM 0 HE22 GLN A 95 12.113 -7.987 7.114 1.00 14.11 H new ATOM 1558 N VAL A 96 7.727 -6.375 5.898 1.00 61.05 N ATOM 1559 CA VAL A 96 6.490 -5.798 6.436 1.00 23.43 C ATOM 1560 C VAL A 96 6.384 -4.285 6.175 1.00 5.31 C ATOM 1561 O VAL A 96 7.392 -3.594 6.004 1.00 24.34 O ATOM 1562 CB VAL A 96 6.363 -6.049 7.962 1.00 61.21 C ATOM 1563 CG1 VAL A 96 6.367 -7.544 8.268 1.00 3.44 C ATOM 1564 CG2 VAL A 96 7.477 -5.333 8.728 1.00 74.15 C ATOM 0 H VAL A 96 8.441 -6.564 6.601 1.00 61.05 H new ATOM 0 HA VAL A 96 5.677 -6.300 5.911 1.00 23.43 H new ATOM 0 HB VAL A 96 5.409 -5.638 8.293 1.00 61.21 H new ATOM 0 HG11 VAL A 96 6.277 -7.695 9.344 1.00 3.44 H new ATOM 0 HG12 VAL A 96 5.527 -8.021 7.763 1.00 3.44 H new ATOM 0 HG13 VAL A 96 7.300 -7.985 7.916 1.00 3.44 H new ATOM 0 HG21 VAL A 96 7.366 -5.524 9.795 1.00 74.15 H new ATOM 0 HG22 VAL A 96 8.446 -5.703 8.392 1.00 74.15 H new ATOM 0 HG23 VAL A 96 7.414 -4.261 8.543 1.00 74.15 H new ATOM 1574 N ILE A 97 5.151 -3.781 6.144 1.00 3.24 N ATOM 1575 CA ILE A 97 4.894 -2.343 6.009 1.00 13.10 C ATOM 1576 C ILE A 97 5.226 -1.600 7.316 1.00 11.02 C ATOM 1577 O ILE A 97 6.072 -0.703 7.343 1.00 14.23 O ATOM 1578 CB ILE A 97 3.412 -2.079 5.621 1.00 4.13 C ATOM 1579 CG1 ILE A 97 3.083 -2.755 4.280 1.00 70.24 C ATOM 1580 CG2 ILE A 97 3.114 -0.580 5.558 1.00 32.52 C ATOM 1581 CD1 ILE A 97 3.941 -2.276 3.123 1.00 13.01 C ATOM 0 H ILE A 97 4.307 -4.350 6.211 1.00 3.24 H new ATOM 0 HA ILE A 97 5.540 -1.967 5.216 1.00 13.10 H new ATOM 0 HB ILE A 97 2.777 -2.511 6.395 1.00 4.13 H new ATOM 0 HG12 ILE A 97 3.205 -3.833 4.388 1.00 70.24 H new ATOM 0 HG13 ILE A 97 2.035 -2.575 4.041 1.00 70.24 H new ATOM 0 HG21 ILE A 97 2.070 -0.428 5.284 1.00 32.52 H new ATOM 0 HG22 ILE A 97 3.303 -0.130 6.533 1.00 32.52 H new ATOM 0 HG23 ILE A 97 3.757 -0.112 4.812 1.00 32.52 H new ATOM 0 HD11 ILE A 97 3.649 -2.799 2.212 1.00 13.01 H new ATOM 0 HD12 ILE A 97 3.802 -1.204 2.986 1.00 13.01 H new ATOM 0 HD13 ILE A 97 4.990 -2.481 3.338 1.00 13.01 H new ATOM 1593 N THR A 98 4.551 -1.985 8.395 1.00 54.10 N ATOM 1594 CA THR A 98 4.801 -1.415 9.725 1.00 71.25 C ATOM 1595 C THR A 98 4.982 -2.524 10.767 1.00 3.03 C ATOM 1596 O THR A 98 4.280 -3.537 10.739 1.00 20.20 O ATOM 1597 CB THR A 98 3.639 -0.503 10.192 1.00 24.05 C ATOM 1598 OG1 THR A 98 2.432 -1.273 10.316 1.00 23.43 O ATOM 1599 CG2 THR A 98 3.410 0.654 9.221 1.00 60.10 C ATOM 0 H THR A 98 3.819 -2.695 8.378 1.00 54.10 H new ATOM 0 HA THR A 98 5.711 -0.821 9.639 1.00 71.25 H new ATOM 0 HB THR A 98 3.912 -0.085 11.161 1.00 24.05 H new ATOM 0 HG1 THR A 98 1.725 -0.863 9.775 1.00 23.43 H new ATOM 0 HG21 THR A 98 2.588 1.273 9.580 1.00 60.10 H new ATOM 0 HG22 THR A 98 4.316 1.257 9.153 1.00 60.10 H new ATOM 0 HG23 THR A 98 3.163 0.259 8.236 1.00 60.10 H new ATOM 1607 N LYS A 99 5.917 -2.332 11.687 1.00 13.43 N ATOM 1608 CA LYS A 99 6.167 -3.304 12.758 1.00 74.12 C ATOM 1609 C LYS A 99 4.974 -3.395 13.720 1.00 32.31 C ATOM 1610 O LYS A 99 4.736 -4.431 14.341 1.00 31.04 O ATOM 1611 CB LYS A 99 7.435 -2.920 13.534 1.00 4.01 C ATOM 1612 CG LYS A 99 8.704 -2.926 12.688 1.00 1.32 C ATOM 1613 CD LYS A 99 9.028 -4.320 12.153 1.00 55.45 C ATOM 1614 CE LYS A 99 10.317 -4.332 11.344 1.00 33.32 C ATOM 1615 NZ LYS A 99 11.471 -3.823 12.127 1.00 12.30 N ATOM 0 H LYS A 99 6.521 -1.510 11.718 1.00 13.43 H new ATOM 0 HA LYS A 99 6.306 -4.282 12.297 1.00 74.12 H new ATOM 0 HB2 LYS A 99 7.300 -1.927 13.962 1.00 4.01 H new ATOM 0 HB3 LYS A 99 7.562 -3.611 14.367 1.00 4.01 H new ATOM 0 HG2 LYS A 99 8.586 -2.235 11.853 1.00 1.32 H new ATOM 0 HG3 LYS A 99 9.540 -2.564 13.286 1.00 1.32 H new ATOM 0 HD2 LYS A 99 9.116 -5.017 12.986 1.00 55.45 H new ATOM 0 HD3 LYS A 99 8.205 -4.670 11.530 1.00 55.45 H new ATOM 0 HE2 LYS A 99 10.526 -5.348 11.010 1.00 33.32 H new ATOM 0 HE3 LYS A 99 10.189 -3.723 10.449 1.00 33.32 H new ATOM 0 HZ1 LYS A 99 12.357 -4.094 11.655 1.00 12.30 H new ATOM 0 HZ2 LYS A 99 11.416 -2.787 12.193 1.00 12.30 H new ATOM 0 HZ3 LYS A 99 11.449 -4.232 13.083 1.00 12.30 H new ATOM 1629 N LYS A 100 4.225 -2.302 13.823 1.00 64.15 N ATOM 1630 CA LYS A 100 3.058 -2.230 14.710 1.00 62.04 C ATOM 1631 C LYS A 100 1.862 -3.028 14.162 1.00 4.21 C ATOM 1632 O LYS A 100 0.923 -3.342 14.901 1.00 53.13 O ATOM 1633 CB LYS A 100 2.663 -0.762 14.913 1.00 24.34 C ATOM 1634 CG LYS A 100 3.796 0.097 15.470 1.00 34.43 C ATOM 1635 CD LYS A 100 3.395 1.565 15.585 1.00 74.24 C ATOM 1636 CE LYS A 100 4.550 2.423 16.083 1.00 54.30 C ATOM 1637 NZ LYS A 100 5.747 2.302 15.208 1.00 23.54 N ATOM 0 H LYS A 100 4.404 -1.445 13.300 1.00 64.15 H new ATOM 0 HA LYS A 100 3.334 -2.679 15.664 1.00 62.04 H new ATOM 0 HB2 LYS A 100 2.336 -0.346 13.960 1.00 24.34 H new ATOM 0 HB3 LYS A 100 1.812 -0.713 15.592 1.00 24.34 H new ATOM 0 HG2 LYS A 100 4.087 -0.278 16.451 1.00 34.43 H new ATOM 0 HG3 LYS A 100 4.669 0.009 14.824 1.00 34.43 H new ATOM 0 HD2 LYS A 100 3.063 1.929 14.613 1.00 74.24 H new ATOM 0 HD3 LYS A 100 2.550 1.660 16.267 1.00 74.24 H new ATOM 0 HE2 LYS A 100 4.236 3.466 16.126 1.00 54.30 H new ATOM 0 HE3 LYS A 100 4.811 2.126 17.099 1.00 54.30 H new ATOM 0 HZ1 LYS A 100 6.210 3.229 15.123 1.00 23.54 H new ATOM 0 HZ2 LYS A 100 6.413 1.619 15.623 1.00 23.54 H new ATOM 0 HZ3 LYS A 100 5.456 1.973 14.265 1.00 23.54 H new ATOM 1651 N SER A 101 1.897 -3.353 12.868 1.00 43.45 N ATOM 1652 CA SER A 101 0.810 -4.119 12.229 1.00 31.30 C ATOM 1653 C SER A 101 1.303 -5.468 11.678 1.00 11.45 C ATOM 1654 O SER A 101 0.504 -6.376 11.451 1.00 32.11 O ATOM 1655 CB SER A 101 0.169 -3.302 11.100 1.00 24.54 C ATOM 1656 OG SER A 101 -0.962 -3.961 10.553 1.00 45.21 O ATOM 0 H SER A 101 2.660 -3.102 12.239 1.00 43.45 H new ATOM 0 HA SER A 101 0.066 -4.323 12.999 1.00 31.30 H new ATOM 0 HB2 SER A 101 -0.128 -2.325 11.481 1.00 24.54 H new ATOM 0 HB3 SER A 101 0.904 -3.128 10.314 1.00 24.54 H new ATOM 0 HG SER A 101 -1.034 -4.860 10.937 1.00 45.21 H new ATOM 1662 N GLY A 102 2.615 -5.582 11.445 1.00 63.31 N ATOM 1663 CA GLY A 102 3.215 -6.846 11.003 1.00 73.31 C ATOM 1664 C GLY A 102 2.626 -7.419 9.710 1.00 32.43 C ATOM 1665 O GLY A 102 2.593 -8.640 9.524 1.00 22.24 O ATOM 0 H GLY A 102 3.280 -4.817 11.555 1.00 63.31 H new ATOM 0 HA2 GLY A 102 4.285 -6.694 10.862 1.00 73.31 H new ATOM 0 HA3 GLY A 102 3.099 -7.584 11.797 1.00 73.31 H new ATOM 1669 N VAL A 103 2.178 -6.550 8.805 1.00 32.11 N ATOM 1670 CA VAL A 103 1.554 -6.990 7.549 1.00 42.01 C ATOM 1671 C VAL A 103 2.567 -7.063 6.392 1.00 33.52 C ATOM 1672 O VAL A 103 3.374 -6.149 6.198 1.00 31.31 O ATOM 1673 CB VAL A 103 0.389 -6.053 7.139 1.00 21.44 C ATOM 1674 CG1 VAL A 103 -0.258 -6.533 5.841 1.00 55.22 C ATOM 1675 CG2 VAL A 103 -0.647 -5.960 8.255 1.00 60.24 C ATOM 0 H VAL A 103 2.233 -5.537 8.914 1.00 32.11 H new ATOM 0 HA VAL A 103 1.167 -7.991 7.738 1.00 42.01 H new ATOM 0 HB VAL A 103 0.797 -5.057 6.969 1.00 21.44 H new ATOM 0 HG11 VAL A 103 -1.073 -5.862 5.571 1.00 55.22 H new ATOM 0 HG12 VAL A 103 0.486 -6.539 5.044 1.00 55.22 H new ATOM 0 HG13 VAL A 103 -0.649 -7.541 5.980 1.00 55.22 H new ATOM 0 HG21 VAL A 103 -1.456 -5.298 7.946 1.00 60.24 H new ATOM 0 HG22 VAL A 103 -1.049 -6.952 8.462 1.00 60.24 H new ATOM 0 HG23 VAL A 103 -0.177 -5.564 9.155 1.00 60.24 H new ATOM 1685 N VAL A 104 2.509 -8.154 5.631 1.00 21.11 N ATOM 1686 CA VAL A 104 3.376 -8.355 4.460 1.00 11.41 C ATOM 1687 C VAL A 104 2.567 -8.239 3.151 1.00 72.30 C ATOM 1688 O VAL A 104 1.359 -8.473 3.138 1.00 51.12 O ATOM 1689 CB VAL A 104 4.064 -9.745 4.519 1.00 31.30 C ATOM 1690 CG1 VAL A 104 5.029 -9.937 3.350 1.00 4.12 C ATOM 1691 CG2 VAL A 104 4.786 -9.931 5.853 1.00 14.44 C ATOM 0 H VAL A 104 1.863 -8.925 5.804 1.00 21.11 H new ATOM 0 HA VAL A 104 4.139 -7.577 4.476 1.00 11.41 H new ATOM 0 HB VAL A 104 3.288 -10.506 4.437 1.00 31.30 H new ATOM 0 HG11 VAL A 104 5.495 -10.920 3.420 1.00 4.12 H new ATOM 0 HG12 VAL A 104 4.482 -9.861 2.410 1.00 4.12 H new ATOM 0 HG13 VAL A 104 5.800 -9.167 3.384 1.00 4.12 H new ATOM 0 HG21 VAL A 104 5.262 -10.911 5.875 1.00 14.44 H new ATOM 0 HG22 VAL A 104 5.544 -9.157 5.967 1.00 14.44 H new ATOM 0 HG23 VAL A 104 4.067 -9.858 6.669 1.00 14.44 H new ATOM 1701 N LEU A 105 3.239 -7.884 2.053 1.00 33.33 N ATOM 1702 CA LEU A 105 2.574 -7.705 0.754 1.00 22.03 C ATOM 1703 C LEU A 105 2.585 -9.000 -0.087 1.00 52.22 C ATOM 1704 O LEU A 105 3.650 -9.528 -0.425 1.00 71.20 O ATOM 1705 CB LEU A 105 3.257 -6.575 -0.028 1.00 4.22 C ATOM 1706 CG LEU A 105 3.287 -5.208 0.675 1.00 4.23 C ATOM 1707 CD1 LEU A 105 3.994 -4.169 -0.190 1.00 72.10 C ATOM 1708 CD2 LEU A 105 1.872 -4.747 1.025 1.00 23.34 C ATOM 0 H LEU A 105 4.245 -7.714 2.035 1.00 33.33 H new ATOM 0 HA LEU A 105 1.533 -7.447 0.950 1.00 22.03 H new ATOM 0 HB2 LEU A 105 4.282 -6.875 -0.245 1.00 4.22 H new ATOM 0 HB3 LEU A 105 2.749 -6.461 -0.985 1.00 4.22 H new ATOM 0 HG LEU A 105 3.849 -5.317 1.603 1.00 4.23 H new ATOM 0 HD11 LEU A 105 4.003 -3.210 0.328 1.00 72.10 H new ATOM 0 HD12 LEU A 105 5.019 -4.489 -0.379 1.00 72.10 H new ATOM 0 HD13 LEU A 105 3.466 -4.065 -1.138 1.00 72.10 H new ATOM 0 HD21 LEU A 105 1.917 -3.778 1.522 1.00 23.34 H new ATOM 0 HD22 LEU A 105 1.282 -4.660 0.113 1.00 23.34 H new ATOM 0 HD23 LEU A 105 1.407 -5.474 1.690 1.00 23.34 H new ATOM 1720 N LEU A 106 1.396 -9.517 -0.402 1.00 74.31 N ATOM 1721 CA LEU A 106 1.257 -10.672 -1.303 1.00 34.15 C ATOM 1722 C LEU A 106 0.010 -10.554 -2.198 1.00 42.31 C ATOM 1723 O LEU A 106 -0.957 -9.891 -1.841 1.00 72.11 O ATOM 1724 CB LEU A 106 1.223 -12.003 -0.523 1.00 1.00 C ATOM 1725 CG LEU A 106 0.215 -12.099 0.638 1.00 5.03 C ATOM 1726 CD1 LEU A 106 -0.061 -13.561 0.987 1.00 25.45 C ATOM 1727 CD2 LEU A 106 0.725 -11.355 1.873 1.00 1.11 C ATOM 0 H LEU A 106 0.511 -9.156 -0.047 1.00 74.31 H new ATOM 0 HA LEU A 106 2.139 -10.671 -1.944 1.00 34.15 H new ATOM 0 HB2 LEU A 106 1.007 -12.805 -1.228 1.00 1.00 H new ATOM 0 HB3 LEU A 106 2.220 -12.189 -0.124 1.00 1.00 H new ATOM 0 HG LEU A 106 -0.714 -11.630 0.313 1.00 5.03 H new ATOM 0 HD11 LEU A 106 -0.775 -13.610 1.809 1.00 25.45 H new ATOM 0 HD12 LEU A 106 -0.474 -14.071 0.117 1.00 25.45 H new ATOM 0 HD13 LEU A 106 0.869 -14.046 1.285 1.00 25.45 H new ATOM 0 HD21 LEU A 106 -0.007 -11.440 2.677 1.00 1.11 H new ATOM 0 HD22 LEU A 106 1.671 -11.791 2.196 1.00 1.11 H new ATOM 0 HD23 LEU A 106 0.875 -10.304 1.628 1.00 1.11 H new ATOM 1739 N ASN A 107 0.063 -11.216 -3.360 1.00 10.40 N ATOM 1740 CA ASN A 107 -1.032 -11.243 -4.360 1.00 62.23 C ATOM 1741 C ASN A 107 -1.912 -9.964 -4.406 1.00 10.23 C ATOM 1742 O ASN A 107 -3.024 -9.941 -3.879 1.00 34.52 O ATOM 1743 CB ASN A 107 -1.899 -12.516 -4.205 1.00 42.13 C ATOM 1744 CG ASN A 107 -2.387 -12.809 -2.783 1.00 14.10 C ATOM 1745 OD1 ASN A 107 -2.467 -13.965 -2.383 1.00 12.31 O ATOM 1746 ND2 ASN A 107 -2.759 -11.798 -2.025 1.00 32.24 N ATOM 0 H ASN A 107 0.878 -11.760 -3.645 1.00 10.40 H new ATOM 0 HA ASN A 107 -0.528 -11.268 -5.326 1.00 62.23 H new ATOM 0 HB2 ASN A 107 -2.767 -12.425 -4.858 1.00 42.13 H new ATOM 0 HB3 ASN A 107 -1.324 -13.372 -4.557 1.00 42.13 H new ATOM 0 HD21 ASN A 107 -3.121 -11.970 -1.087 1.00 32.24 H new ATOM 0 HD22 ASN A 107 -2.685 -10.843 -2.376 1.00 32.24 H new ATOM 1753 N PRO A 108 -1.429 -8.887 -5.059 1.00 31.23 N ATOM 1754 CA PRO A 108 -2.205 -7.641 -5.211 1.00 25.13 C ATOM 1755 C PRO A 108 -3.339 -7.767 -6.246 1.00 45.34 C ATOM 1756 O PRO A 108 -3.262 -8.573 -7.179 1.00 63.24 O ATOM 1757 CB PRO A 108 -1.151 -6.635 -5.688 1.00 62.20 C ATOM 1758 CG PRO A 108 -0.140 -7.462 -6.407 1.00 22.12 C ATOM 1759 CD PRO A 108 -0.099 -8.792 -5.694 1.00 50.23 C ATOM 0 HA PRO A 108 -2.707 -7.357 -4.286 1.00 25.13 H new ATOM 0 HB2 PRO A 108 -1.589 -5.884 -6.345 1.00 62.20 H new ATOM 0 HB3 PRO A 108 -0.703 -6.102 -4.849 1.00 62.20 H new ATOM 0 HG2 PRO A 108 -0.415 -7.590 -7.454 1.00 22.12 H new ATOM 0 HG3 PRO A 108 0.838 -6.982 -6.391 1.00 22.12 H new ATOM 0 HD2 PRO A 108 0.073 -9.614 -6.389 1.00 50.23 H new ATOM 0 HD3 PRO A 108 0.701 -8.826 -4.955 1.00 50.23 H new ATOM 1767 N ILE A 109 -4.391 -6.967 -6.085 1.00 53.05 N ATOM 1768 CA ILE A 109 -5.529 -6.996 -7.012 1.00 60.12 C ATOM 1769 C ILE A 109 -5.295 -6.062 -8.217 1.00 13.23 C ATOM 1770 O ILE A 109 -5.056 -4.867 -8.043 1.00 13.12 O ATOM 1771 CB ILE A 109 -6.841 -6.599 -6.291 1.00 44.23 C ATOM 1772 CG1 ILE A 109 -7.056 -7.484 -5.049 1.00 25.13 C ATOM 1773 CG2 ILE A 109 -8.040 -6.691 -7.236 1.00 1.24 C ATOM 1774 CD1 ILE A 109 -6.974 -8.977 -5.315 1.00 61.23 C ATOM 0 H ILE A 109 -4.483 -6.292 -5.326 1.00 53.05 H new ATOM 0 HA ILE A 109 -5.622 -8.018 -7.378 1.00 60.12 H new ATOM 0 HB ILE A 109 -6.752 -5.562 -5.969 1.00 44.23 H new ATOM 0 HG12 ILE A 109 -6.311 -7.221 -4.298 1.00 25.13 H new ATOM 0 HG13 ILE A 109 -8.033 -7.257 -4.622 1.00 25.13 H new ATOM 0 HG21 ILE A 109 -8.947 -6.407 -6.702 1.00 1.24 H new ATOM 0 HG22 ILE A 109 -7.890 -6.018 -8.081 1.00 1.24 H new ATOM 0 HG23 ILE A 109 -8.139 -7.714 -7.600 1.00 1.24 H new ATOM 0 HD11 ILE A 109 -7.137 -9.522 -4.385 1.00 61.23 H new ATOM 0 HD12 ILE A 109 -7.737 -9.260 -6.040 1.00 61.23 H new ATOM 0 HD13 ILE A 109 -5.989 -9.222 -5.711 1.00 61.23 H new ATOM 1786 N PRO A 110 -5.358 -6.600 -9.457 1.00 44.20 N ATOM 1787 CA PRO A 110 -5.080 -5.826 -10.688 1.00 75.02 C ATOM 1788 C PRO A 110 -6.018 -4.623 -10.916 1.00 41.21 C ATOM 1789 O PRO A 110 -7.118 -4.551 -10.360 1.00 41.25 O ATOM 1790 CB PRO A 110 -5.266 -6.860 -11.815 1.00 74.10 C ATOM 1791 CG PRO A 110 -5.133 -8.188 -11.150 1.00 64.20 C ATOM 1792 CD PRO A 110 -5.686 -8.006 -9.763 1.00 30.42 C ATOM 0 HA PRO A 110 -4.088 -5.378 -10.636 1.00 75.02 H new ATOM 0 HB2 PRO A 110 -6.241 -6.753 -12.291 1.00 74.10 H new ATOM 0 HB3 PRO A 110 -4.515 -6.733 -12.595 1.00 74.10 H new ATOM 0 HG2 PRO A 110 -5.684 -8.955 -11.694 1.00 64.20 H new ATOM 0 HG3 PRO A 110 -4.091 -8.507 -11.117 1.00 64.20 H new ATOM 0 HD2 PRO A 110 -6.760 -8.186 -9.730 1.00 30.42 H new ATOM 0 HD3 PRO A 110 -5.226 -8.692 -9.052 1.00 30.42 H new