USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=19 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 180:sc= 1.02 USER MOD Set 1.2: A 101 SER OG : rot -90:sc= 0.782 USER MOD Set 2.1: A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 81 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 54 SER OG : rot -150:sc= -0.168 USER MOD Set 3.2: A 63 HIS : no HD1:sc=-0.00623 X(o=-0.17,f=-0.17) USER MOD Set 4.1: A 35 LYS NZ :NH3+ 161:sc= 0.852 (180deg=0.772) USER MOD Set 4.2: A 107 ASN : amide:sc= -0.599 K(o=0.25,f=-1.1) USER MOD Single : A 17 GLN : amide:sc= -0.091 K(o=-0.091,f=-1.3!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 1.14 K(o=1.1,f=-3.7!) USER MOD Single : A 30 GLN : amide:sc= 0.276 X(o=0.28,f=-0.2) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.244 K(o=-0.24,f=-5.2!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot -85:sc= 0.00158 USER MOD Single : A 56 TYR OH : rot 180:sc= -1.82! USER MOD Single : A 57 SER OG : rot -160:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 67 GLN : amide:sc= -0.661 K(o=-0.66,f=-1.6) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0629 USER MOD Single : A 71 ASN : amide:sc= -0.15 K(o=-0.15,f=-2.6!) 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 82 ASN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.581 X(o=-0.58,f=-0.19) USER MOD Single : A 89 HIS : no HD1:sc=-0.00162 X(o=-0.0016,f=-0.38) USER MOD Single : A 90 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.4!) USER MOD Single : A 91 TYR OH : rot 130:sc= -0.236 USER MOD Single : A 92 THR OG1 : rot -69:sc= 0.139 USER MOD Single : A 93 THR OG1 : rot -64:sc= 1.32 USER MOD Single : A 94 LYS NZ :NH3+ -169:sc=-0.00962 (180deg=-0.162) USER MOD Single : A 95 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.34) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 153:sc= -1.86! (180deg=-3.84!) USER MOD ----------------------------------------------------------------- ATOM 203 N PRO A 13 5.508 3.053 -14.309 1.00 41.34 N ATOM 204 CA PRO A 13 5.266 4.159 -13.360 1.00 61.52 C ATOM 205 C PRO A 13 4.010 3.926 -12.493 1.00 54.32 C ATOM 206 O PRO A 13 3.185 3.059 -12.795 1.00 5.10 O ATOM 207 CB PRO A 13 5.089 5.379 -14.275 1.00 25.15 C ATOM 208 CG PRO A 13 4.621 4.814 -15.574 1.00 55.43 C ATOM 209 CD PRO A 13 5.283 3.465 -15.707 1.00 1.35 C ATOM 0 HA PRO A 13 6.078 4.270 -12.642 1.00 61.52 H new ATOM 0 HB2 PRO A 13 4.363 6.080 -13.864 1.00 25.15 H new ATOM 0 HB3 PRO A 13 6.026 5.923 -14.395 1.00 25.15 H new ATOM 0 HG2 PRO A 13 3.535 4.718 -15.589 1.00 55.43 H new ATOM 0 HG3 PRO A 13 4.895 5.466 -16.404 1.00 55.43 H new ATOM 0 HD2 PRO A 13 4.647 2.756 -16.237 1.00 1.35 H new ATOM 0 HD3 PRO A 13 6.219 3.530 -16.262 1.00 1.35 H new ATOM 217 N LEU A 14 3.869 4.720 -11.426 1.00 51.54 N ATOM 218 CA LEU A 14 2.798 4.535 -10.427 1.00 15.21 C ATOM 219 C LEU A 14 1.401 4.390 -11.061 1.00 21.12 C ATOM 220 O LEU A 14 0.641 3.495 -10.696 1.00 32.23 O ATOM 221 CB LEU A 14 2.799 5.707 -9.433 1.00 35.40 C ATOM 222 CG LEU A 14 1.775 5.607 -8.286 1.00 70.30 C ATOM 223 CD1 LEU A 14 2.027 4.364 -7.437 1.00 4.24 C ATOM 224 CD2 LEU A 14 1.809 6.867 -7.426 1.00 74.01 C ATOM 0 H LEU A 14 4.488 5.506 -11.227 1.00 51.54 H new ATOM 0 HA LEU A 14 3.010 3.601 -9.908 1.00 15.21 H new ATOM 0 HB2 LEU A 14 3.796 5.792 -9.000 1.00 35.40 H new ATOM 0 HB3 LEU A 14 2.611 6.628 -9.985 1.00 35.40 H new ATOM 0 HG LEU A 14 0.781 5.518 -8.724 1.00 70.30 H new ATOM 0 HD11 LEU A 14 1.291 4.316 -6.634 1.00 4.24 H new ATOM 0 HD12 LEU A 14 1.942 3.474 -8.061 1.00 4.24 H new ATOM 0 HD13 LEU A 14 3.028 4.413 -7.009 1.00 4.24 H new ATOM 0 HD21 LEU A 14 1.079 6.778 -6.621 1.00 74.01 H new ATOM 0 HD22 LEU A 14 2.805 6.990 -7.001 1.00 74.01 H new ATOM 0 HD23 LEU A 14 1.567 7.734 -8.041 1.00 74.01 H new ATOM 236 N ALA A 15 1.068 5.265 -12.006 1.00 32.13 N ATOM 237 CA ALA A 15 -0.239 5.214 -12.675 1.00 44.42 C ATOM 238 C ALA A 15 -0.459 3.881 -13.416 1.00 3.12 C ATOM 239 O ALA A 15 -1.550 3.298 -13.373 1.00 74.35 O ATOM 240 CB ALA A 15 -0.379 6.387 -13.635 1.00 45.02 C ATOM 0 H ALA A 15 1.678 6.016 -12.328 1.00 32.13 H new ATOM 0 HA ALA A 15 -1.007 5.284 -11.905 1.00 44.42 H new ATOM 0 HB1 ALA A 15 -1.351 6.341 -14.126 1.00 45.02 H new ATOM 0 HB2 ALA A 15 -0.296 7.322 -13.081 1.00 45.02 H new ATOM 0 HB3 ALA A 15 0.410 6.339 -14.386 1.00 45.02 H new ATOM 246 N GLU A 16 0.591 3.394 -14.081 1.00 61.03 N ATOM 247 CA GLU A 16 0.524 2.134 -14.836 1.00 41.55 C ATOM 248 C GLU A 16 0.445 0.924 -13.893 1.00 43.40 C ATOM 249 O GLU A 16 -0.024 -0.155 -14.277 1.00 54.03 O ATOM 250 CB GLU A 16 1.756 1.999 -15.742 1.00 11.21 C ATOM 251 CG GLU A 16 1.847 3.035 -16.860 1.00 5.54 C ATOM 252 CD GLU A 16 0.897 2.757 -18.013 1.00 31.22 C ATOM 253 OE1 GLU A 16 1.139 1.781 -18.763 1.00 73.25 O ATOM 254 OE2 GLU A 16 -0.071 3.523 -18.193 1.00 31.45 O ATOM 0 H GLU A 16 1.502 3.852 -14.114 1.00 61.03 H new ATOM 0 HA GLU A 16 -0.380 2.155 -15.445 1.00 41.55 H new ATOM 0 HB2 GLU A 16 2.652 2.071 -15.126 1.00 11.21 H new ATOM 0 HB3 GLU A 16 1.754 1.004 -16.187 1.00 11.21 H new ATOM 0 HG2 GLU A 16 1.632 4.022 -16.450 1.00 5.54 H new ATOM 0 HG3 GLU A 16 2.869 3.063 -17.238 1.00 5.54 H new ATOM 261 N GLN A 17 0.915 1.109 -12.661 1.00 22.41 N ATOM 262 CA GLN A 17 0.862 0.055 -11.646 1.00 65.41 C ATOM 263 C GLN A 17 -0.576 -0.431 -11.432 1.00 32.20 C ATOM 264 O GLN A 17 -1.490 0.356 -11.175 1.00 45.04 O ATOM 265 CB GLN A 17 1.463 0.552 -10.326 1.00 53.33 C ATOM 266 CG GLN A 17 2.957 0.849 -10.406 1.00 45.23 C ATOM 267 CD GLN A 17 3.793 -0.394 -10.675 1.00 74.52 C ATOM 268 OE1 GLN A 17 3.431 -1.502 -10.297 1.00 72.13 O ATOM 269 NE2 GLN A 17 4.919 -0.222 -11.329 1.00 50.45 N ATOM 0 H GLN A 17 1.338 1.980 -12.340 1.00 22.41 H new ATOM 0 HA GLN A 17 1.453 -0.788 -12.003 1.00 65.41 H new ATOM 0 HB2 GLN A 17 0.938 1.455 -10.015 1.00 53.33 H new ATOM 0 HB3 GLN A 17 1.291 -0.198 -9.554 1.00 53.33 H new ATOM 0 HG2 GLN A 17 3.136 1.579 -11.195 1.00 45.23 H new ATOM 0 HG3 GLN A 17 3.283 1.305 -9.471 1.00 45.23 H new ATOM 0 HE21 GLN A 17 5.195 0.712 -11.632 1.00 50.45 H new ATOM 0 HE22 GLN A 17 5.517 -1.022 -11.534 1.00 50.45 H new ATOM 278 N ASP A 18 -0.768 -1.733 -11.550 1.00 73.44 N ATOM 279 CA ASP A 18 -2.098 -2.340 -11.482 1.00 15.43 C ATOM 280 C ASP A 18 -2.697 -2.285 -10.063 1.00 70.24 C ATOM 281 O ASP A 18 -3.908 -2.118 -9.899 1.00 14.34 O ATOM 282 CB ASP A 18 -2.018 -3.776 -12.001 1.00 72.23 C ATOM 283 CG ASP A 18 -0.806 -4.515 -11.466 1.00 42.34 C ATOM 284 OD1 ASP A 18 0.299 -4.301 -12.006 1.00 15.52 O ATOM 285 OD2 ASP A 18 -0.949 -5.299 -10.513 1.00 70.31 O ATOM 0 H ASP A 18 -0.013 -2.403 -11.695 1.00 73.44 H new ATOM 0 HA ASP A 18 -2.774 -1.763 -12.113 1.00 15.43 H new ATOM 0 HB2 ASP A 18 -2.923 -4.313 -11.717 1.00 72.23 H new ATOM 0 HB3 ASP A 18 -1.982 -3.765 -13.090 1.00 72.23 H new ATOM 290 N TRP A 19 -1.848 -2.417 -9.047 1.00 23.32 N ATOM 291 CA TRP A 19 -2.283 -2.284 -7.647 1.00 33.30 C ATOM 292 C TRP A 19 -2.725 -0.842 -7.317 1.00 50.45 C ATOM 293 O TRP A 19 -3.364 -0.595 -6.291 1.00 52.15 O ATOM 294 CB TRP A 19 -1.176 -2.755 -6.688 1.00 74.05 C ATOM 295 CG TRP A 19 0.201 -2.268 -7.043 1.00 64.44 C ATOM 296 CD1 TRP A 19 1.108 -2.898 -7.848 1.00 55.23 C ATOM 297 CD2 TRP A 19 0.834 -1.061 -6.598 1.00 42.54 C ATOM 298 NE1 TRP A 19 2.255 -2.153 -7.941 1.00 50.01 N ATOM 299 CE2 TRP A 19 2.115 -1.025 -7.181 1.00 13.03 C ATOM 300 CE3 TRP A 19 0.443 -0.008 -5.771 1.00 55.23 C ATOM 301 CZ2 TRP A 19 3.007 0.023 -6.958 1.00 25.42 C ATOM 302 CZ3 TRP A 19 1.329 1.031 -5.550 1.00 4.22 C ATOM 303 CH2 TRP A 19 2.597 1.039 -6.142 1.00 42.00 C ATOM 0 H TRP A 19 -0.854 -2.616 -9.160 1.00 23.32 H new ATOM 0 HA TRP A 19 -3.153 -2.926 -7.511 1.00 33.30 H new ATOM 0 HB2 TRP A 19 -1.418 -2.419 -5.680 1.00 74.05 H new ATOM 0 HB3 TRP A 19 -1.169 -3.845 -6.668 1.00 74.05 H new ATOM 0 HD1 TRP A 19 0.945 -3.846 -8.340 1.00 55.23 H new ATOM 0 HE1 TRP A 19 3.079 -2.400 -8.488 1.00 50.01 H new ATOM 0 HE3 TRP A 19 -0.534 -0.004 -5.311 1.00 55.23 H new ATOM 0 HZ2 TRP A 19 3.986 0.031 -7.414 1.00 25.42 H new ATOM 0 HZ3 TRP A 19 1.037 1.850 -4.910 1.00 4.22 H new ATOM 0 HH2 TRP A 19 3.265 1.865 -5.950 1.00 42.00 H new ATOM 314 N TYR A 20 -2.385 0.106 -8.188 1.00 40.53 N ATOM 315 CA TYR A 20 -2.868 1.486 -8.064 1.00 5.21 C ATOM 316 C TYR A 20 -4.157 1.678 -8.887 1.00 15.15 C ATOM 317 O TYR A 20 -4.129 1.646 -10.119 1.00 30.20 O ATOM 318 CB TYR A 20 -1.782 2.471 -8.525 1.00 50.41 C ATOM 319 CG TYR A 20 -2.220 3.925 -8.479 1.00 33.14 C ATOM 320 CD1 TYR A 20 -2.317 4.605 -7.268 1.00 23.34 C ATOM 321 CD2 TYR A 20 -2.552 4.612 -9.643 1.00 42.53 C ATOM 322 CE1 TYR A 20 -2.729 5.923 -7.222 1.00 61.42 C ATOM 323 CE2 TYR A 20 -2.968 5.929 -9.602 1.00 71.04 C ATOM 324 CZ TYR A 20 -3.054 6.578 -8.391 1.00 10.42 C ATOM 325 OH TYR A 20 -3.476 7.885 -8.348 1.00 42.14 O ATOM 0 H TYR A 20 -1.776 -0.054 -8.990 1.00 40.53 H new ATOM 0 HA TYR A 20 -3.095 1.686 -7.017 1.00 5.21 H new ATOM 0 HB2 TYR A 20 -0.900 2.346 -7.897 1.00 50.41 H new ATOM 0 HB3 TYR A 20 -1.486 2.222 -9.544 1.00 50.41 H new ATOM 0 HD1 TYR A 20 -2.066 4.094 -6.350 1.00 23.34 H new ATOM 0 HD2 TYR A 20 -2.483 4.107 -10.595 1.00 42.53 H new ATOM 0 HE1 TYR A 20 -2.796 6.438 -6.275 1.00 61.42 H new ATOM 0 HE2 TYR A 20 -3.224 6.446 -10.515 1.00 71.04 H new ATOM 0 HH TYR A 20 -3.664 8.198 -9.257 1.00 42.14 H new ATOM 335 N HIS A 21 -5.287 1.889 -8.204 1.00 24.30 N ATOM 336 CA HIS A 21 -6.603 1.948 -8.869 1.00 62.44 C ATOM 337 C HIS A 21 -7.108 3.389 -9.097 1.00 21.12 C ATOM 338 O HIS A 21 -8.303 3.607 -9.285 1.00 44.24 O ATOM 339 CB HIS A 21 -7.631 1.143 -8.060 1.00 13.10 C ATOM 340 CG HIS A 21 -7.430 -0.342 -8.149 1.00 54.22 C ATOM 341 ND1 HIS A 21 -8.350 -1.190 -8.723 1.00 70.31 N ATOM 342 CD2 HIS A 21 -6.403 -1.128 -7.746 1.00 74.30 C ATOM 343 CE1 HIS A 21 -7.902 -2.426 -8.669 1.00 23.42 C ATOM 344 NE2 HIS A 21 -6.723 -2.419 -8.083 1.00 55.35 N ATOM 0 H HIS A 21 -5.322 2.022 -7.193 1.00 24.30 H new ATOM 0 HA HIS A 21 -6.478 1.508 -9.858 1.00 62.44 H new ATOM 0 HB2 HIS A 21 -7.578 1.447 -7.015 1.00 13.10 H new ATOM 0 HB3 HIS A 21 -8.633 1.388 -8.413 1.00 13.10 H new ATOM 0 HD2 HIS A 21 -5.501 -0.800 -7.252 1.00 74.30 H new ATOM 0 HE1 HIS A 21 -8.415 -3.300 -9.043 1.00 23.42 H new ATOM 0 HE2 HIS A 21 -6.142 -3.239 -7.908 1.00 55.35 H new ATOM 353 N GLY A 22 -6.197 4.361 -9.097 1.00 40.15 N ATOM 354 CA GLY A 22 -6.556 5.739 -9.452 1.00 1.41 C ATOM 355 C GLY A 22 -7.461 6.455 -8.444 1.00 61.43 C ATOM 356 O GLY A 22 -8.451 7.081 -8.829 1.00 73.04 O ATOM 0 H GLY A 22 -5.215 4.226 -8.858 1.00 40.15 H new ATOM 0 HA2 GLY A 22 -5.640 6.318 -9.570 1.00 1.41 H new ATOM 0 HA3 GLY A 22 -7.054 5.730 -10.422 1.00 1.41 H new ATOM 360 N ALA A 23 -7.106 6.381 -7.161 1.00 1.23 N ATOM 361 CA ALA A 23 -7.820 7.111 -6.097 1.00 60.33 C ATOM 362 C ALA A 23 -9.306 6.714 -5.981 1.00 52.34 C ATOM 363 O ALA A 23 -10.196 7.442 -6.425 1.00 32.14 O ATOM 364 CB ALA A 23 -7.685 8.619 -6.304 1.00 24.52 C ATOM 0 H ALA A 23 -6.323 5.820 -6.825 1.00 1.23 H new ATOM 0 HA ALA A 23 -7.349 6.829 -5.155 1.00 60.33 H new ATOM 0 HB1 ALA A 23 -8.217 9.144 -5.511 1.00 24.52 H new ATOM 0 HB2 ALA A 23 -6.631 8.897 -6.280 1.00 24.52 H new ATOM 0 HB3 ALA A 23 -8.110 8.893 -7.269 1.00 24.52 H new ATOM 370 N ILE A 24 -9.564 5.558 -5.377 1.00 62.22 N ATOM 371 CA ILE A 24 -10.937 5.078 -5.176 1.00 22.01 C ATOM 372 C ILE A 24 -11.419 5.362 -3.740 1.00 24.52 C ATOM 373 O ILE A 24 -10.607 5.637 -2.848 1.00 5.02 O ATOM 374 CB ILE A 24 -11.047 3.557 -5.465 1.00 12.32 C ATOM 375 CG1 ILE A 24 -10.274 2.740 -4.418 1.00 44.25 C ATOM 376 CG2 ILE A 24 -10.542 3.242 -6.870 1.00 31.51 C ATOM 377 CD1 ILE A 24 -10.434 1.242 -4.578 1.00 52.14 C ATOM 0 H ILE A 24 -8.844 4.932 -5.016 1.00 62.22 H new ATOM 0 HA ILE A 24 -11.573 5.618 -5.878 1.00 22.01 H new ATOM 0 HB ILE A 24 -12.098 3.276 -5.403 1.00 12.32 H new ATOM 0 HG12 ILE A 24 -9.216 2.993 -4.481 1.00 44.25 H new ATOM 0 HG13 ILE A 24 -10.612 3.029 -3.423 1.00 44.25 H new ATOM 0 HG21 ILE A 24 -10.626 2.171 -7.055 1.00 31.51 H new ATOM 0 HG22 ILE A 24 -11.140 3.785 -7.602 1.00 31.51 H new ATOM 0 HG23 ILE A 24 -9.498 3.544 -6.958 1.00 31.51 H new ATOM 0 HD11 ILE A 24 -9.861 0.730 -3.805 1.00 52.14 H new ATOM 0 HD12 ILE A 24 -11.487 0.977 -4.485 1.00 52.14 H new ATOM 0 HD13 ILE A 24 -10.069 0.940 -5.560 1.00 52.14 H new ATOM 389 N PRO A 25 -12.746 5.310 -3.488 1.00 21.15 N ATOM 390 CA PRO A 25 -13.295 5.503 -2.134 1.00 34.14 C ATOM 391 C PRO A 25 -12.973 4.331 -1.190 1.00 43.21 C ATOM 392 O PRO A 25 -12.644 3.226 -1.633 1.00 22.13 O ATOM 393 CB PRO A 25 -14.807 5.601 -2.379 1.00 64.45 C ATOM 394 CG PRO A 25 -15.031 4.826 -3.635 1.00 22.32 C ATOM 395 CD PRO A 25 -13.814 5.070 -4.485 1.00 51.24 C ATOM 0 HA PRO A 25 -12.869 6.378 -1.643 1.00 34.14 H new ATOM 0 HB2 PRO A 25 -15.372 5.181 -1.547 1.00 64.45 H new ATOM 0 HB3 PRO A 25 -15.125 6.638 -2.490 1.00 64.45 H new ATOM 0 HG2 PRO A 25 -15.154 3.764 -3.423 1.00 22.32 H new ATOM 0 HG3 PRO A 25 -15.937 5.157 -4.143 1.00 22.32 H new ATOM 0 HD2 PRO A 25 -13.587 4.213 -5.119 1.00 51.24 H new ATOM 0 HD3 PRO A 25 -13.949 5.927 -5.144 1.00 51.24 H new ATOM 403 N ARG A 26 -13.082 4.575 0.113 1.00 13.10 N ATOM 404 CA ARG A 26 -12.801 3.551 1.126 1.00 75.21 C ATOM 405 C ARG A 26 -13.698 2.312 0.950 1.00 34.34 C ATOM 406 O ARG A 26 -13.258 1.183 1.178 1.00 65.31 O ATOM 407 CB ARG A 26 -12.981 4.148 2.530 1.00 53.45 C ATOM 408 CG ARG A 26 -12.775 3.151 3.667 1.00 54.41 C ATOM 409 CD ARG A 26 -13.027 3.791 5.031 1.00 22.44 C ATOM 410 NE ARG A 26 -13.146 2.798 6.100 1.00 35.01 N ATOM 411 CZ ARG A 26 -14.274 2.481 6.685 1.00 32.20 C ATOM 412 NH1 ARG A 26 -15.383 3.032 6.313 1.00 52.43 N ATOM 413 NH2 ARG A 26 -14.286 1.611 7.640 1.00 14.02 N ATOM 0 H ARG A 26 -13.364 5.476 0.498 1.00 13.10 H new ATOM 0 HA ARG A 26 -11.769 3.225 0.999 1.00 75.21 H new ATOM 0 HB2 ARG A 26 -12.279 4.973 2.654 1.00 53.45 H new ATOM 0 HB3 ARG A 26 -13.984 4.568 2.608 1.00 53.45 H new ATOM 0 HG2 ARG A 26 -13.446 2.303 3.533 1.00 54.41 H new ATOM 0 HG3 ARG A 26 -11.758 2.762 3.630 1.00 54.41 H new ATOM 0 HD2 ARG A 26 -12.212 4.476 5.264 1.00 22.44 H new ATOM 0 HD3 ARG A 26 -13.940 4.385 4.987 1.00 22.44 H new ATOM 0 HE ARG A 26 -12.297 2.323 6.408 1.00 35.01 H new ATOM 0 HH11 ARG A 26 -15.383 3.719 5.559 1.00 52.43 H new ATOM 0 HH12 ARG A 26 -16.257 2.780 6.774 1.00 52.43 H new ATOM 0 HH21 ARG A 26 -13.416 1.170 7.939 1.00 14.02 H new ATOM 0 HH22 ARG A 26 -15.165 1.365 8.095 1.00 14.02 H new ATOM 427 N ILE A 27 -14.946 2.531 0.525 1.00 23.50 N ATOM 428 CA ILE A 27 -15.900 1.431 0.314 1.00 64.42 C ATOM 429 C ILE A 27 -15.336 0.376 -0.653 1.00 3.42 C ATOM 430 O ILE A 27 -15.129 -0.774 -0.277 1.00 72.50 O ATOM 431 CB ILE A 27 -17.242 1.967 -0.253 1.00 3.01 C ATOM 432 CG1 ILE A 27 -17.858 3.002 0.705 1.00 55.21 C ATOM 433 CG2 ILE A 27 -18.219 0.817 -0.515 1.00 21.22 C ATOM 434 CD1 ILE A 27 -19.129 3.641 0.182 1.00 23.42 C ATOM 0 H ILE A 27 -15.321 3.457 0.320 1.00 23.50 H new ATOM 0 HA ILE A 27 -16.072 0.966 1.285 1.00 64.42 H new ATOM 0 HB ILE A 27 -17.040 2.460 -1.204 1.00 3.01 H new ATOM 0 HG12 ILE A 27 -18.071 2.519 1.658 1.00 55.21 H new ATOM 0 HG13 ILE A 27 -17.124 3.783 0.901 1.00 55.21 H new ATOM 0 HG21 ILE A 27 -19.152 1.216 -0.912 1.00 21.22 H new ATOM 0 HG22 ILE A 27 -17.783 0.127 -1.237 1.00 21.22 H new ATOM 0 HG23 ILE A 27 -18.418 0.289 0.418 1.00 21.22 H new ATOM 0 HD11 ILE A 27 -19.503 4.358 0.913 1.00 23.42 H new ATOM 0 HD12 ILE A 27 -18.919 4.155 -0.756 1.00 23.42 H new ATOM 0 HD13 ILE A 27 -19.881 2.870 0.013 1.00 23.42 H new ATOM 446 N GLU A 28 -15.029 0.791 -1.878 1.00 61.12 N ATOM 447 CA GLU A 28 -14.465 -0.118 -2.884 1.00 51.14 C ATOM 448 C GLU A 28 -13.114 -0.681 -2.426 1.00 71.21 C ATOM 449 O GLU A 28 -12.784 -1.836 -2.696 1.00 21.10 O ATOM 450 CB GLU A 28 -14.297 0.614 -4.221 1.00 32.44 C ATOM 451 CG GLU A 28 -15.615 0.982 -4.894 1.00 0.52 C ATOM 452 CD GLU A 28 -16.360 -0.232 -5.435 1.00 24.52 C ATOM 453 OE1 GLU A 28 -15.917 -0.792 -6.463 1.00 4.41 O ATOM 454 OE2 GLU A 28 -17.387 -0.625 -4.840 1.00 62.11 O ATOM 0 H GLU A 28 -15.159 1.749 -2.203 1.00 61.12 H new ATOM 0 HA GLU A 28 -15.157 -0.950 -3.012 1.00 51.14 H new ATOM 0 HB2 GLU A 28 -13.718 1.523 -4.056 1.00 32.44 H new ATOM 0 HB3 GLU A 28 -13.718 -0.014 -4.898 1.00 32.44 H new ATOM 0 HG2 GLU A 28 -16.250 1.503 -4.178 1.00 0.52 H new ATOM 0 HG3 GLU A 28 -15.419 1.676 -5.711 1.00 0.52 H new ATOM 461 N ALA A 29 -12.354 0.145 -1.713 1.00 1.43 N ATOM 462 CA ALA A 29 -11.023 -0.235 -1.242 1.00 14.30 C ATOM 463 C ALA A 29 -11.071 -1.436 -0.294 1.00 43.35 C ATOM 464 O ALA A 29 -10.202 -2.301 -0.337 1.00 14.03 O ATOM 465 CB ALA A 29 -10.357 0.950 -0.555 1.00 51.22 C ATOM 0 H ALA A 29 -12.638 1.088 -1.447 1.00 1.43 H new ATOM 0 HA ALA A 29 -10.436 -0.530 -2.112 1.00 14.30 H new ATOM 0 HB1 ALA A 29 -9.366 0.659 -0.207 1.00 51.22 H new ATOM 0 HB2 ALA A 29 -10.266 1.776 -1.261 1.00 51.22 H new ATOM 0 HB3 ALA A 29 -10.962 1.265 0.295 1.00 51.22 H new ATOM 471 N GLN A 30 -12.081 -1.475 0.573 1.00 74.32 N ATOM 472 CA GLN A 30 -12.225 -2.576 1.534 1.00 14.12 C ATOM 473 C GLN A 30 -13.016 -3.757 0.948 1.00 62.24 C ATOM 474 O GLN A 30 -12.748 -4.915 1.276 1.00 4.45 O ATOM 475 CB GLN A 30 -12.906 -2.091 2.821 1.00 74.44 C ATOM 476 CG GLN A 30 -14.347 -1.640 2.622 1.00 53.02 C ATOM 477 CD GLN A 30 -15.076 -1.399 3.930 1.00 75.22 C ATOM 478 OE1 GLN A 30 -14.487 -0.968 4.917 1.00 4.20 O ATOM 479 NE2 GLN A 30 -16.354 -1.714 3.958 1.00 13.31 N ATOM 0 H GLN A 30 -12.809 -0.764 0.633 1.00 74.32 H new ATOM 0 HA GLN A 30 -11.218 -2.924 1.765 1.00 14.12 H new ATOM 0 HB2 GLN A 30 -12.885 -2.895 3.557 1.00 74.44 H new ATOM 0 HB3 GLN A 30 -12.330 -1.264 3.236 1.00 74.44 H new ATOM 0 HG2 GLN A 30 -14.357 -0.724 2.032 1.00 53.02 H new ATOM 0 HG3 GLN A 30 -14.883 -2.395 2.047 1.00 53.02 H new ATOM 0 HE21 GLN A 30 -16.810 -2.069 3.118 1.00 13.31 H new ATOM 0 HE22 GLN A 30 -16.888 -1.603 4.820 1.00 13.31 H new ATOM 488 N GLU A 31 -13.995 -3.461 0.091 1.00 13.41 N ATOM 489 CA GLU A 31 -14.868 -4.496 -0.486 1.00 63.44 C ATOM 490 C GLU A 31 -14.092 -5.481 -1.375 1.00 44.45 C ATOM 491 O GLU A 31 -14.371 -6.683 -1.371 1.00 44.40 O ATOM 492 CB GLU A 31 -16.007 -3.851 -1.290 1.00 54.42 C ATOM 493 CG GLU A 31 -16.989 -3.038 -0.447 1.00 73.11 C ATOM 494 CD GLU A 31 -17.707 -3.865 0.611 1.00 53.15 C ATOM 495 OE1 GLU A 31 -18.306 -4.905 0.257 1.00 5.12 O ATOM 496 OE2 GLU A 31 -17.677 -3.480 1.805 1.00 62.22 O ATOM 0 H GLU A 31 -14.207 -2.513 -0.222 1.00 13.41 H new ATOM 0 HA GLU A 31 -15.286 -5.062 0.347 1.00 63.44 H new ATOM 0 HB2 GLU A 31 -15.576 -3.202 -2.052 1.00 54.42 H new ATOM 0 HB3 GLU A 31 -16.556 -4.634 -1.812 1.00 54.42 H new ATOM 0 HG2 GLU A 31 -16.451 -2.225 0.041 1.00 73.11 H new ATOM 0 HG3 GLU A 31 -17.729 -2.581 -1.104 1.00 73.11 H new ATOM 503 N LEU A 32 -13.124 -4.974 -2.143 1.00 23.23 N ATOM 504 CA LEU A 32 -12.300 -5.838 -3.000 1.00 52.13 C ATOM 505 C LEU A 32 -11.353 -6.711 -2.158 1.00 70.51 C ATOM 506 O LEU A 32 -10.906 -7.773 -2.603 1.00 54.31 O ATOM 507 CB LEU A 32 -11.518 -4.995 -4.030 1.00 72.01 C ATOM 508 CG LEU A 32 -10.453 -4.029 -3.471 1.00 1.51 C ATOM 509 CD1 LEU A 32 -9.136 -4.753 -3.210 1.00 51.12 C ATOM 510 CD2 LEU A 32 -10.240 -2.854 -4.426 1.00 65.41 C ATOM 0 H LEU A 32 -12.891 -3.982 -2.191 1.00 23.23 H new ATOM 0 HA LEU A 32 -12.963 -6.508 -3.547 1.00 52.13 H new ATOM 0 HB2 LEU A 32 -11.028 -5.677 -4.725 1.00 72.01 H new ATOM 0 HB3 LEU A 32 -12.236 -4.413 -4.608 1.00 72.01 H new ATOM 0 HG LEU A 32 -10.817 -3.641 -2.520 1.00 1.51 H new ATOM 0 HD11 LEU A 32 -8.405 -4.047 -2.817 1.00 51.12 H new ATOM 0 HD12 LEU A 32 -9.297 -5.551 -2.485 1.00 51.12 H new ATOM 0 HD13 LEU A 32 -8.764 -5.179 -4.142 1.00 51.12 H new ATOM 0 HD21 LEU A 32 -9.485 -2.183 -4.015 1.00 65.41 H new ATOM 0 HD22 LEU A 32 -9.905 -3.228 -5.394 1.00 65.41 H new ATOM 0 HD23 LEU A 32 -11.178 -2.312 -4.551 1.00 65.41 H new ATOM 522 N LEU A 33 -11.048 -6.244 -0.945 1.00 22.35 N ATOM 523 CA LEU A 33 -10.231 -7.003 0.007 1.00 2.45 C ATOM 524 C LEU A 33 -11.056 -8.140 0.625 1.00 43.54 C ATOM 525 O LEU A 33 -11.882 -7.908 1.513 1.00 31.43 O ATOM 526 CB LEU A 33 -9.715 -6.071 1.119 1.00 70.41 C ATOM 527 CG LEU A 33 -8.901 -4.854 0.648 1.00 1.01 C ATOM 528 CD1 LEU A 33 -8.514 -3.967 1.830 1.00 65.23 C ATOM 529 CD2 LEU A 33 -7.656 -5.287 -0.117 1.00 43.21 C ATOM 0 H LEU A 33 -11.357 -5.337 -0.596 1.00 22.35 H new ATOM 0 HA LEU A 33 -9.381 -7.430 -0.525 1.00 2.45 H new ATOM 0 HB2 LEU A 33 -10.570 -5.713 1.693 1.00 70.41 H new ATOM 0 HB3 LEU A 33 -9.097 -6.656 1.800 1.00 70.41 H new ATOM 0 HG LEU A 33 -9.533 -4.276 -0.027 1.00 1.01 H new ATOM 0 HD11 LEU A 33 -7.939 -3.113 1.471 1.00 65.23 H new ATOM 0 HD12 LEU A 33 -9.416 -3.613 2.330 1.00 65.23 H new ATOM 0 HD13 LEU A 33 -7.911 -4.541 2.533 1.00 65.23 H new ATOM 0 HD21 LEU A 33 -7.101 -4.405 -0.437 1.00 43.21 H new ATOM 0 HD22 LEU A 33 -7.026 -5.898 0.529 1.00 43.21 H new ATOM 0 HD23 LEU A 33 -7.950 -5.868 -0.991 1.00 43.21 H new ATOM 541 N LYS A 34 -10.838 -9.369 0.160 1.00 4.13 N ATOM 542 CA LYS A 34 -11.686 -10.500 0.564 1.00 51.52 C ATOM 543 C LYS A 34 -10.887 -11.778 0.894 1.00 65.30 C ATOM 544 O LYS A 34 -11.474 -12.814 1.222 1.00 70.22 O ATOM 545 CB LYS A 34 -12.716 -10.769 -0.542 1.00 33.34 C ATOM 546 CG LYS A 34 -12.096 -10.976 -1.923 1.00 14.02 C ATOM 547 CD LYS A 34 -13.141 -10.905 -3.035 1.00 72.14 C ATOM 548 CE LYS A 34 -14.237 -11.948 -2.857 1.00 22.24 C ATOM 549 NZ LYS A 34 -15.257 -11.868 -3.934 1.00 34.24 N ATOM 0 H LYS A 34 -10.090 -9.610 -0.491 1.00 4.13 H new ATOM 0 HA LYS A 34 -12.188 -10.222 1.491 1.00 51.52 H new ATOM 0 HB2 LYS A 34 -13.296 -11.653 -0.278 1.00 33.34 H new ATOM 0 HB3 LYS A 34 -13.413 -9.932 -0.588 1.00 33.34 H new ATOM 0 HG2 LYS A 34 -11.332 -10.218 -2.095 1.00 14.02 H new ATOM 0 HG3 LYS A 34 -11.597 -11.945 -1.955 1.00 14.02 H new ATOM 0 HD2 LYS A 34 -13.586 -9.910 -3.051 1.00 72.14 H new ATOM 0 HD3 LYS A 34 -12.654 -11.052 -3.999 1.00 72.14 H new ATOM 0 HE2 LYS A 34 -13.793 -12.944 -2.850 1.00 22.24 H new ATOM 0 HE3 LYS A 34 -14.719 -11.807 -1.889 1.00 22.24 H new ATOM 0 HZ1 LYS A 34 -15.985 -12.594 -3.777 1.00 34.24 H new ATOM 0 HZ2 LYS A 34 -15.699 -10.927 -3.925 1.00 34.24 H new ATOM 0 HZ3 LYS A 34 -14.802 -12.028 -4.856 1.00 34.24 H new ATOM 563 N LYS A 35 -9.560 -11.706 0.814 1.00 71.10 N ATOM 564 CA LYS A 35 -8.693 -12.820 1.224 1.00 42.41 C ATOM 565 C LYS A 35 -7.351 -12.302 1.768 1.00 5.42 C ATOM 566 O LYS A 35 -6.920 -11.195 1.439 1.00 4.55 O ATOM 567 CB LYS A 35 -8.452 -13.790 0.056 1.00 25.42 C ATOM 568 CG LYS A 35 -7.780 -13.144 -1.150 1.00 1.44 C ATOM 569 CD LYS A 35 -7.502 -14.147 -2.264 1.00 22.31 C ATOM 570 CE LYS A 35 -6.822 -13.484 -3.455 1.00 72.15 C ATOM 571 NZ LYS A 35 -5.561 -12.800 -3.062 1.00 52.35 N ATOM 0 H LYS A 35 -9.057 -10.889 0.469 1.00 71.10 H new ATOM 0 HA LYS A 35 -9.204 -13.360 2.021 1.00 42.41 H new ATOM 0 HB2 LYS A 35 -7.834 -14.618 0.405 1.00 25.42 H new ATOM 0 HB3 LYS A 35 -9.407 -14.214 -0.255 1.00 25.42 H new ATOM 0 HG2 LYS A 35 -8.416 -12.346 -1.533 1.00 1.44 H new ATOM 0 HG3 LYS A 35 -6.843 -12.683 -0.837 1.00 1.44 H new ATOM 0 HD2 LYS A 35 -6.870 -14.949 -1.883 1.00 22.31 H new ATOM 0 HD3 LYS A 35 -8.438 -14.604 -2.586 1.00 22.31 H new ATOM 0 HE2 LYS A 35 -6.606 -14.235 -4.215 1.00 72.15 H new ATOM 0 HE3 LYS A 35 -7.502 -12.761 -3.906 1.00 72.15 H new ATOM 0 HZ1 LYS A 35 -4.973 -12.645 -3.905 1.00 52.35 H new ATOM 0 HZ2 LYS A 35 -5.785 -11.884 -2.623 1.00 52.35 H new ATOM 0 HZ3 LYS A 35 -5.042 -13.392 -2.382 1.00 52.35 H new ATOM 585 N GLN A 36 -6.701 -13.109 2.603 1.00 70.43 N ATOM 586 CA GLN A 36 -5.435 -12.726 3.244 1.00 4.24 C ATOM 587 C GLN A 36 -4.383 -12.275 2.213 1.00 30.52 C ATOM 588 O GLN A 36 -3.977 -13.053 1.344 1.00 54.13 O ATOM 589 CB GLN A 36 -4.883 -13.909 4.052 1.00 23.42 C ATOM 590 CG GLN A 36 -3.615 -13.591 4.845 1.00 31.22 C ATOM 591 CD GLN A 36 -3.880 -12.740 6.078 1.00 32.15 C ATOM 592 OE1 GLN A 36 -3.862 -11.516 6.026 1.00 74.31 O ATOM 593 NE2 GLN A 36 -4.138 -13.387 7.198 1.00 3.35 N ATOM 0 H GLN A 36 -7.030 -14.041 2.856 1.00 70.43 H new ATOM 0 HA GLN A 36 -5.642 -11.884 3.904 1.00 4.24 H new ATOM 0 HB2 GLN A 36 -5.653 -14.253 4.743 1.00 23.42 H new ATOM 0 HB3 GLN A 36 -4.674 -14.734 3.371 1.00 23.42 H new ATOM 0 HG2 GLN A 36 -3.141 -14.524 5.150 1.00 31.22 H new ATOM 0 HG3 GLN A 36 -2.909 -13.071 4.197 1.00 31.22 H new ATOM 0 HE21 GLN A 36 -4.145 -14.407 7.208 1.00 3.35 H new ATOM 0 HE22 GLN A 36 -4.330 -12.867 8.054 1.00 3.35 H new ATOM 602 N GLY A 37 -3.949 -11.018 2.308 1.00 64.01 N ATOM 603 CA GLY A 37 -2.873 -10.528 1.449 1.00 31.14 C ATOM 604 C GLY A 37 -3.286 -9.412 0.494 1.00 1.34 C ATOM 605 O GLY A 37 -2.447 -8.602 0.100 1.00 21.13 O ATOM 0 H GLY A 37 -4.321 -10.329 2.962 1.00 64.01 H new ATOM 0 HA2 GLY A 37 -2.058 -10.168 2.078 1.00 31.14 H new ATOM 0 HA3 GLY A 37 -2.482 -11.362 0.866 1.00 31.14 H new ATOM 609 N ASP A 38 -4.565 -9.369 0.111 1.00 21.43 N ATOM 610 CA ASP A 38 -5.059 -8.356 -0.841 1.00 62.24 C ATOM 611 C ASP A 38 -4.630 -6.934 -0.431 1.00 15.04 C ATOM 612 O ASP A 38 -4.846 -6.524 0.705 1.00 53.03 O ATOM 613 CB ASP A 38 -6.590 -8.398 -0.931 1.00 41.31 C ATOM 614 CG ASP A 38 -7.134 -9.710 -1.459 1.00 11.43 C ATOM 615 OD1 ASP A 38 -6.424 -10.394 -2.228 1.00 20.04 O ATOM 616 OD2 ASP A 38 -8.288 -10.052 -1.123 1.00 21.31 O ATOM 0 H ASP A 38 -5.279 -10.019 0.441 1.00 21.43 H new ATOM 0 HA ASP A 38 -4.622 -8.594 -1.811 1.00 62.24 H new ATOM 0 HB2 ASP A 38 -7.008 -8.213 0.058 1.00 41.31 H new ATOM 0 HB3 ASP A 38 -6.929 -7.588 -1.577 1.00 41.31 H new ATOM 621 N PHE A 39 -4.036 -6.180 -1.355 1.00 42.14 N ATOM 622 CA PHE A 39 -3.646 -4.794 -1.061 1.00 74.41 C ATOM 623 C PHE A 39 -3.684 -3.904 -2.309 1.00 44.13 C ATOM 624 O PHE A 39 -3.555 -4.383 -3.440 1.00 2.34 O ATOM 625 CB PHE A 39 -2.244 -4.741 -0.424 1.00 14.12 C ATOM 626 CG PHE A 39 -1.112 -5.116 -1.354 1.00 3.21 C ATOM 627 CD1 PHE A 39 -0.750 -6.443 -1.534 1.00 2.44 C ATOM 628 CD2 PHE A 39 -0.407 -4.135 -2.043 1.00 22.45 C ATOM 629 CE1 PHE A 39 0.292 -6.783 -2.376 1.00 63.44 C ATOM 630 CE2 PHE A 39 0.633 -4.473 -2.886 1.00 4.42 C ATOM 631 CZ PHE A 39 0.981 -5.798 -3.055 1.00 32.43 C ATOM 0 H PHE A 39 -3.815 -6.495 -2.300 1.00 42.14 H new ATOM 0 HA PHE A 39 -4.378 -4.406 -0.352 1.00 74.41 H new ATOM 0 HB2 PHE A 39 -2.069 -3.733 -0.048 1.00 14.12 H new ATOM 0 HB3 PHE A 39 -2.225 -5.410 0.437 1.00 14.12 H new ATOM 0 HD1 PHE A 39 -1.288 -7.219 -1.010 1.00 2.44 H new ATOM 0 HD2 PHE A 39 -0.676 -3.097 -1.917 1.00 22.45 H new ATOM 0 HE1 PHE A 39 0.567 -7.820 -2.503 1.00 63.44 H new ATOM 0 HE2 PHE A 39 1.174 -3.701 -3.413 1.00 4.42 H new ATOM 0 HZ PHE A 39 1.791 -6.064 -3.718 1.00 32.43 H new ATOM 641 N LEU A 40 -3.863 -2.604 -2.084 1.00 45.33 N ATOM 642 CA LEU A 40 -3.830 -1.605 -3.157 1.00 11.33 C ATOM 643 C LEU A 40 -3.533 -0.208 -2.590 1.00 72.44 C ATOM 644 O LEU A 40 -3.634 0.018 -1.383 1.00 64.24 O ATOM 645 CB LEU A 40 -5.167 -1.558 -3.920 1.00 64.44 C ATOM 646 CG LEU A 40 -6.355 -0.962 -3.139 1.00 65.51 C ATOM 647 CD1 LEU A 40 -7.473 -0.556 -4.087 1.00 11.45 C ATOM 648 CD2 LEU A 40 -6.875 -1.944 -2.093 1.00 74.32 C ATOM 0 H LEU A 40 -4.034 -2.212 -1.158 1.00 45.33 H new ATOM 0 HA LEU A 40 -3.037 -1.899 -3.845 1.00 11.33 H new ATOM 0 HB2 LEU A 40 -5.025 -0.977 -4.831 1.00 64.44 H new ATOM 0 HB3 LEU A 40 -5.427 -2.571 -4.225 1.00 64.44 H new ATOM 0 HG LEU A 40 -5.999 -0.072 -2.621 1.00 65.51 H new ATOM 0 HD11 LEU A 40 -8.301 -0.138 -3.515 1.00 11.45 H new ATOM 0 HD12 LEU A 40 -7.102 0.192 -4.788 1.00 11.45 H new ATOM 0 HD13 LEU A 40 -7.818 -1.431 -4.639 1.00 11.45 H new ATOM 0 HD21 LEU A 40 -7.712 -1.496 -1.558 1.00 74.32 H new ATOM 0 HD22 LEU A 40 -7.206 -2.858 -2.585 1.00 74.32 H new ATOM 0 HD23 LEU A 40 -6.078 -2.180 -1.387 1.00 74.32 H new ATOM 660 N VAL A 41 -3.185 0.730 -3.469 1.00 2.33 N ATOM 661 CA VAL A 41 -2.941 2.123 -3.065 1.00 75.01 C ATOM 662 C VAL A 41 -3.969 3.077 -3.693 1.00 24.21 C ATOM 663 O VAL A 41 -4.180 3.080 -4.909 1.00 33.43 O ATOM 664 CB VAL A 41 -1.507 2.579 -3.439 1.00 61.42 C ATOM 665 CG1 VAL A 41 -1.302 4.061 -3.129 1.00 15.15 C ATOM 666 CG2 VAL A 41 -0.473 1.731 -2.702 1.00 73.11 C ATOM 0 H VAL A 41 -3.064 0.556 -4.467 1.00 2.33 H new ATOM 0 HA VAL A 41 -3.046 2.161 -1.981 1.00 75.01 H new ATOM 0 HB VAL A 41 -1.376 2.439 -4.512 1.00 61.42 H new ATOM 0 HG11 VAL A 41 -0.288 4.353 -3.401 1.00 15.15 H new ATOM 0 HG12 VAL A 41 -2.016 4.654 -3.700 1.00 15.15 H new ATOM 0 HG13 VAL A 41 -1.456 4.235 -2.064 1.00 15.15 H new ATOM 0 HG21 VAL A 41 0.529 2.062 -2.974 1.00 73.11 H new ATOM 0 HG22 VAL A 41 -0.612 1.841 -1.627 1.00 73.11 H new ATOM 0 HG23 VAL A 41 -0.597 0.684 -2.979 1.00 73.11 H new ATOM 676 N ARG A 42 -4.611 3.883 -2.850 1.00 54.33 N ATOM 677 CA ARG A 42 -5.593 4.876 -3.304 1.00 53.10 C ATOM 678 C ARG A 42 -5.231 6.285 -2.812 1.00 13.12 C ATOM 679 O ARG A 42 -4.982 6.496 -1.627 1.00 61.42 O ATOM 680 CB ARG A 42 -7.000 4.498 -2.816 1.00 53.24 C ATOM 681 CG ARG A 42 -7.065 4.165 -1.327 1.00 45.40 C ATOM 682 CD ARG A 42 -8.490 3.867 -0.864 1.00 74.42 C ATOM 683 NE ARG A 42 -9.215 5.077 -0.472 1.00 72.22 N ATOM 684 CZ ARG A 42 -9.230 5.564 0.742 1.00 31.50 C ATOM 685 NH1 ARG A 42 -8.555 4.992 1.690 1.00 41.54 N ATOM 686 NH2 ARG A 42 -9.917 6.627 1.008 1.00 34.03 N ATOM 0 H ARG A 42 -4.470 3.870 -1.840 1.00 54.33 H new ATOM 0 HA ARG A 42 -5.580 4.881 -4.394 1.00 53.10 H new ATOM 0 HB2 ARG A 42 -7.681 5.323 -3.025 1.00 53.24 H new ATOM 0 HB3 ARG A 42 -7.355 3.640 -3.387 1.00 53.24 H new ATOM 0 HG2 ARG A 42 -6.430 3.303 -1.121 1.00 45.40 H new ATOM 0 HG3 ARG A 42 -6.665 5.000 -0.752 1.00 45.40 H new ATOM 0 HD2 ARG A 42 -9.032 3.366 -1.666 1.00 74.42 H new ATOM 0 HD3 ARG A 42 -8.458 3.177 -0.021 1.00 74.42 H new ATOM 0 HE ARG A 42 -9.742 5.572 -1.191 1.00 72.22 H new ATOM 0 HH11 ARG A 42 -8.006 4.155 1.492 1.00 41.54 H new ATOM 0 HH12 ARG A 42 -8.573 5.379 2.634 1.00 41.54 H new ATOM 0 HH21 ARG A 42 -10.449 7.088 0.270 1.00 34.03 H new ATOM 0 HH22 ARG A 42 -9.927 7.004 1.956 1.00 34.03 H new ATOM 700 N GLU A 43 -5.208 7.244 -3.728 1.00 1.51 N ATOM 701 CA GLU A 43 -4.921 8.639 -3.379 1.00 41.34 C ATOM 702 C GLU A 43 -6.160 9.310 -2.759 1.00 44.22 C ATOM 703 O GLU A 43 -7.295 8.975 -3.104 1.00 64.43 O ATOM 704 CB GLU A 43 -4.473 9.412 -4.629 1.00 31.34 C ATOM 705 CG GLU A 43 -4.103 10.869 -4.361 1.00 41.44 C ATOM 706 CD GLU A 43 -3.848 11.653 -5.636 1.00 21.52 C ATOM 707 OE1 GLU A 43 -4.826 12.035 -6.309 1.00 5.34 O ATOM 708 OE2 GLU A 43 -2.670 11.891 -5.967 1.00 21.52 O ATOM 0 H GLU A 43 -5.384 7.087 -4.720 1.00 1.51 H new ATOM 0 HA GLU A 43 -4.117 8.653 -2.643 1.00 41.34 H new ATOM 0 HB2 GLU A 43 -3.614 8.905 -5.068 1.00 31.34 H new ATOM 0 HB3 GLU A 43 -5.273 9.382 -5.368 1.00 31.34 H new ATOM 0 HG2 GLU A 43 -4.907 11.346 -3.800 1.00 41.44 H new ATOM 0 HG3 GLU A 43 -3.212 10.904 -3.734 1.00 41.44 H new ATOM 715 N SER A 44 -5.940 10.246 -1.840 1.00 74.30 N ATOM 716 CA SER A 44 -7.045 10.961 -1.187 1.00 54.04 C ATOM 717 C SER A 44 -7.617 12.054 -2.094 1.00 54.00 C ATOM 718 O SER A 44 -6.884 12.716 -2.827 1.00 63.40 O ATOM 719 CB SER A 44 -6.585 11.595 0.131 1.00 71.01 C ATOM 720 OG SER A 44 -7.640 12.336 0.731 1.00 12.51 O ATOM 0 H SER A 44 -5.011 10.530 -1.528 1.00 74.30 H new ATOM 0 HA SER A 44 -7.824 10.226 -0.984 1.00 54.04 H new ATOM 0 HB2 SER A 44 -6.246 10.817 0.815 1.00 71.01 H new ATOM 0 HB3 SER A 44 -5.734 12.250 -0.053 1.00 71.01 H new ATOM 0 HG SER A 44 -7.326 12.731 1.571 1.00 12.51 H new ATOM 794 N GLU A 50 -1.586 12.916 -1.464 1.00 54.50 N ATOM 795 CA GLU A 50 -1.362 11.970 -0.365 1.00 40.31 C ATOM 796 C GLU A 50 -2.014 10.612 -0.667 1.00 44.00 C ATOM 797 O GLU A 50 -3.205 10.533 -0.974 1.00 11.10 O ATOM 798 CB GLU A 50 -1.902 12.537 0.956 1.00 63.23 C ATOM 799 CG GLU A 50 -1.688 11.613 2.155 1.00 54.43 C ATOM 800 CD GLU A 50 -2.085 12.256 3.476 1.00 42.25 C ATOM 801 OE1 GLU A 50 -3.262 12.142 3.873 1.00 41.20 O ATOM 802 OE2 GLU A 50 -1.216 12.879 4.126 1.00 12.12 O ATOM 0 HA GLU A 50 -0.287 11.819 -0.266 1.00 40.31 H new ATOM 0 HB2 GLU A 50 -1.419 13.494 1.155 1.00 63.23 H new ATOM 0 HB3 GLU A 50 -2.968 12.735 0.847 1.00 63.23 H new ATOM 0 HG2 GLU A 50 -2.267 10.701 2.012 1.00 54.43 H new ATOM 0 HG3 GLU A 50 -0.639 11.321 2.200 1.00 54.43 H new ATOM 809 N TYR A 51 -1.222 9.547 -0.570 1.00 31.32 N ATOM 810 CA TYR A 51 -1.676 8.198 -0.924 1.00 70.24 C ATOM 811 C TYR A 51 -1.898 7.325 0.318 1.00 43.23 C ATOM 812 O TYR A 51 -1.104 7.339 1.259 1.00 52.13 O ATOM 813 CB TYR A 51 -0.658 7.535 -1.861 1.00 43.14 C ATOM 814 CG TYR A 51 -0.483 8.262 -3.183 1.00 33.22 C ATOM 815 CD1 TYR A 51 0.177 9.485 -3.244 1.00 32.11 C ATOM 816 CD2 TYR A 51 -0.982 7.730 -4.368 1.00 30.14 C ATOM 817 CE1 TYR A 51 0.336 10.151 -4.441 1.00 0.24 C ATOM 818 CE2 TYR A 51 -0.825 8.393 -5.570 1.00 51.51 C ATOM 819 CZ TYR A 51 -0.166 9.603 -5.601 1.00 72.24 C ATOM 820 OH TYR A 51 0.004 10.266 -6.796 1.00 75.31 O ATOM 0 H TYR A 51 -0.255 9.590 -0.247 1.00 31.32 H new ATOM 0 HA TYR A 51 -2.635 8.292 -1.434 1.00 70.24 H new ATOM 0 HB2 TYR A 51 0.306 7.481 -1.356 1.00 43.14 H new ATOM 0 HB3 TYR A 51 -0.973 6.510 -2.059 1.00 43.14 H new ATOM 0 HD1 TYR A 51 0.572 9.921 -2.338 1.00 32.11 H new ATOM 0 HD2 TYR A 51 -1.501 6.783 -4.348 1.00 30.14 H new ATOM 0 HE1 TYR A 51 0.852 11.099 -4.469 1.00 0.24 H new ATOM 0 HE2 TYR A 51 -1.217 7.965 -6.481 1.00 51.51 H new ATOM 0 HH TYR A 51 -0.712 10.925 -6.909 1.00 75.31 H new ATOM 830 N VAL A 52 -2.985 6.564 0.304 1.00 5.22 N ATOM 831 CA VAL A 52 -3.334 5.673 1.410 1.00 71.25 C ATOM 832 C VAL A 52 -3.285 4.201 0.972 1.00 52.12 C ATOM 833 O VAL A 52 -3.892 3.817 -0.031 1.00 23.23 O ATOM 834 CB VAL A 52 -4.749 5.988 1.958 1.00 34.22 C ATOM 835 CG1 VAL A 52 -5.058 5.136 3.189 1.00 24.43 C ATOM 836 CG2 VAL A 52 -4.890 7.478 2.271 1.00 74.22 C ATOM 0 H VAL A 52 -3.649 6.545 -0.470 1.00 5.22 H new ATOM 0 HA VAL A 52 -2.599 5.840 2.197 1.00 71.25 H new ATOM 0 HB VAL A 52 -5.476 5.737 1.186 1.00 34.22 H new ATOM 0 HG11 VAL A 52 -6.056 5.375 3.556 1.00 24.43 H new ATOM 0 HG12 VAL A 52 -5.013 4.080 2.922 1.00 24.43 H new ATOM 0 HG13 VAL A 52 -4.326 5.344 3.969 1.00 24.43 H new ATOM 0 HG21 VAL A 52 -5.891 7.676 2.654 1.00 74.22 H new ATOM 0 HG22 VAL A 52 -4.151 7.764 3.020 1.00 74.22 H new ATOM 0 HG23 VAL A 52 -4.728 8.058 1.362 1.00 74.22 H new ATOM 846 N LEU A 53 -2.568 3.383 1.732 1.00 14.30 N ATOM 847 CA LEU A 53 -2.478 1.946 1.464 1.00 2.00 C ATOM 848 C LEU A 53 -3.627 1.193 2.150 1.00 34.42 C ATOM 849 O LEU A 53 -3.865 1.354 3.348 1.00 52.40 O ATOM 850 CB LEU A 53 -1.129 1.400 1.961 1.00 50.52 C ATOM 851 CG LEU A 53 -0.911 -0.113 1.767 1.00 61.41 C ATOM 852 CD1 LEU A 53 -0.849 -0.475 0.283 1.00 55.15 C ATOM 853 CD2 LEU A 53 0.354 -0.574 2.489 1.00 3.40 C ATOM 0 H LEU A 53 -2.035 3.690 2.546 1.00 14.30 H new ATOM 0 HA LEU A 53 -2.554 1.793 0.388 1.00 2.00 H new ATOM 0 HB2 LEU A 53 -0.330 1.933 1.446 1.00 50.52 H new ATOM 0 HB3 LEU A 53 -1.033 1.630 3.022 1.00 50.52 H new ATOM 0 HG LEU A 53 -1.764 -0.633 2.204 1.00 61.41 H new ATOM 0 HD11 LEU A 53 -0.694 -1.549 0.177 1.00 55.15 H new ATOM 0 HD12 LEU A 53 -1.785 -0.193 -0.200 1.00 55.15 H new ATOM 0 HD13 LEU A 53 -0.023 0.059 -0.188 1.00 55.15 H new ATOM 0 HD21 LEU A 53 0.489 -1.645 2.339 1.00 3.40 H new ATOM 0 HD22 LEU A 53 1.216 -0.040 2.089 1.00 3.40 H new ATOM 0 HD23 LEU A 53 0.261 -0.366 3.555 1.00 3.40 H new ATOM 865 N SER A 54 -4.343 0.378 1.386 1.00 61.10 N ATOM 866 CA SER A 54 -5.444 -0.430 1.926 1.00 13.54 C ATOM 867 C SER A 54 -5.129 -1.919 1.765 1.00 51.33 C ATOM 868 O SER A 54 -5.013 -2.414 0.644 1.00 1.32 O ATOM 869 CB SER A 54 -6.756 -0.088 1.208 1.00 54.14 C ATOM 870 OG SER A 54 -7.867 -0.706 1.836 1.00 64.45 O ATOM 0 H SER A 54 -4.185 0.254 0.386 1.00 61.10 H new ATOM 0 HA SER A 54 -5.557 -0.205 2.986 1.00 13.54 H new ATOM 0 HB2 SER A 54 -6.896 0.993 1.199 1.00 54.14 H new ATOM 0 HB3 SER A 54 -6.698 -0.411 0.168 1.00 54.14 H new ATOM 0 HG SER A 54 -8.561 -0.888 1.168 1.00 64.45 H new ATOM 876 N VAL A 55 -4.987 -2.626 2.884 1.00 21.15 N ATOM 877 CA VAL A 55 -4.550 -4.025 2.862 1.00 63.04 C ATOM 878 C VAL A 55 -5.421 -4.925 3.756 1.00 21.32 C ATOM 879 O VAL A 55 -5.897 -4.513 4.817 1.00 24.12 O ATOM 880 CB VAL A 55 -3.063 -4.144 3.293 1.00 11.24 C ATOM 881 CG1 VAL A 55 -2.857 -3.615 4.713 1.00 35.13 C ATOM 882 CG2 VAL A 55 -2.561 -5.586 3.168 1.00 73.01 C ATOM 0 H VAL A 55 -5.167 -2.256 3.817 1.00 21.15 H new ATOM 0 HA VAL A 55 -4.660 -4.370 1.834 1.00 63.04 H new ATOM 0 HB VAL A 55 -2.473 -3.527 2.615 1.00 11.24 H new ATOM 0 HG11 VAL A 55 -1.807 -3.711 4.988 1.00 35.13 H new ATOM 0 HG12 VAL A 55 -3.149 -2.566 4.756 1.00 35.13 H new ATOM 0 HG13 VAL A 55 -3.468 -4.191 5.408 1.00 35.13 H new ATOM 0 HG21 VAL A 55 -1.517 -5.636 3.477 1.00 73.01 H new ATOM 0 HG22 VAL A 55 -3.160 -6.236 3.806 1.00 73.01 H new ATOM 0 HG23 VAL A 55 -2.649 -5.913 2.132 1.00 73.01 H new ATOM 892 N TYR A 56 -5.623 -6.157 3.309 1.00 34.43 N ATOM 893 CA TYR A 56 -6.401 -7.148 4.047 1.00 21.13 C ATOM 894 C TYR A 56 -5.492 -7.982 4.963 1.00 61.44 C ATOM 895 O TYR A 56 -4.638 -8.734 4.490 1.00 62.45 O ATOM 896 CB TYR A 56 -7.134 -8.068 3.063 1.00 34.43 C ATOM 897 CG TYR A 56 -8.147 -8.993 3.714 1.00 61.41 C ATOM 898 CD1 TYR A 56 -7.756 -10.200 4.279 1.00 54.13 C ATOM 899 CD2 TYR A 56 -9.498 -8.660 3.760 1.00 3.53 C ATOM 900 CE1 TYR A 56 -8.672 -11.043 4.869 1.00 23.12 C ATOM 901 CE2 TYR A 56 -10.422 -9.500 4.351 1.00 24.43 C ATOM 902 CZ TYR A 56 -10.004 -10.694 4.900 1.00 33.33 C ATOM 903 OH TYR A 56 -10.914 -11.539 5.495 1.00 54.31 O ATOM 0 H TYR A 56 -5.252 -6.500 2.423 1.00 34.43 H new ATOM 0 HA TYR A 56 -7.129 -6.625 4.667 1.00 21.13 H new ATOM 0 HB2 TYR A 56 -7.644 -7.455 2.320 1.00 34.43 H new ATOM 0 HB3 TYR A 56 -6.399 -8.670 2.529 1.00 34.43 H new ATOM 0 HD1 TYR A 56 -6.714 -10.483 4.255 1.00 54.13 H new ATOM 0 HD2 TYR A 56 -9.830 -7.728 3.326 1.00 3.53 H new ATOM 0 HE1 TYR A 56 -8.346 -11.975 5.306 1.00 23.12 H new ATOM 0 HE2 TYR A 56 -11.465 -9.223 4.383 1.00 24.43 H new ATOM 0 HH TYR A 56 -11.811 -11.149 5.435 1.00 54.31 H new ATOM 913 N SER A 57 -5.684 -7.850 6.272 1.00 14.43 N ATOM 914 CA SER A 57 -4.861 -8.570 7.252 1.00 63.03 C ATOM 915 C SER A 57 -5.720 -9.298 8.293 1.00 12.55 C ATOM 916 O SER A 57 -6.438 -8.668 9.072 1.00 32.30 O ATOM 917 CB SER A 57 -3.910 -7.599 7.961 1.00 62.40 C ATOM 918 OG SER A 57 -3.193 -8.249 9.001 1.00 43.21 O ATOM 0 H SER A 57 -6.401 -7.252 6.684 1.00 14.43 H new ATOM 0 HA SER A 57 -4.285 -9.317 6.706 1.00 63.03 H new ATOM 0 HB2 SER A 57 -3.209 -7.180 7.239 1.00 62.40 H new ATOM 0 HB3 SER A 57 -4.478 -6.765 8.374 1.00 62.40 H new ATOM 0 HG SER A 57 -2.848 -7.580 9.628 1.00 43.21 H new ATOM 924 N ASP A 58 -5.654 -10.629 8.274 1.00 61.51 N ATOM 925 CA ASP A 58 -6.298 -11.476 9.290 1.00 64.53 C ATOM 926 C ASP A 58 -7.800 -11.147 9.468 1.00 10.22 C ATOM 927 O ASP A 58 -8.286 -10.957 10.583 1.00 73.20 O ATOM 928 CB ASP A 58 -5.541 -11.340 10.623 1.00 42.41 C ATOM 929 CG ASP A 58 -5.960 -12.382 11.648 1.00 20.44 C ATOM 930 OD1 ASP A 58 -5.675 -13.580 11.431 1.00 41.13 O ATOM 931 OD2 ASP A 58 -6.574 -12.011 12.674 1.00 33.12 O ATOM 0 H ASP A 58 -5.154 -11.155 7.557 1.00 61.51 H new ATOM 0 HA ASP A 58 -6.250 -12.510 8.947 1.00 64.53 H new ATOM 0 HB2 ASP A 58 -4.470 -11.429 10.438 1.00 42.41 H new ATOM 0 HB3 ASP A 58 -5.712 -10.345 11.033 1.00 42.41 H new ATOM 936 N GLY A 59 -8.532 -11.085 8.360 1.00 54.13 N ATOM 937 CA GLY A 59 -9.977 -10.871 8.422 1.00 31.23 C ATOM 938 C GLY A 59 -10.391 -9.407 8.586 1.00 33.12 C ATOM 939 O GLY A 59 -11.585 -9.097 8.617 1.00 13.42 O ATOM 0 H GLY A 59 -8.155 -11.179 7.417 1.00 54.13 H new ATOM 0 HA2 GLY A 59 -10.430 -11.265 7.512 1.00 31.23 H new ATOM 0 HA3 GLY A 59 -10.382 -11.446 9.254 1.00 31.23 H new ATOM 943 N GLN A 60 -9.417 -8.505 8.697 1.00 51.13 N ATOM 944 CA GLN A 60 -9.702 -7.072 8.869 1.00 51.40 C ATOM 945 C GLN A 60 -9.042 -6.227 7.767 1.00 75.40 C ATOM 946 O GLN A 60 -7.906 -6.488 7.367 1.00 32.33 O ATOM 947 CB GLN A 60 -9.208 -6.598 10.246 1.00 10.12 C ATOM 948 CG GLN A 60 -9.764 -7.409 11.415 1.00 40.52 C ATOM 949 CD GLN A 60 -9.342 -6.868 12.771 1.00 22.33 C ATOM 950 OE1 GLN A 60 -8.280 -6.267 12.920 1.00 51.41 O ATOM 951 NE2 GLN A 60 -10.169 -7.080 13.773 1.00 53.52 N ATOM 0 H GLN A 60 -8.424 -8.736 8.672 1.00 51.13 H new ATOM 0 HA GLN A 60 -10.782 -6.939 8.798 1.00 51.40 H new ATOM 0 HB2 GLN A 60 -8.119 -6.647 10.267 1.00 10.12 H new ATOM 0 HB3 GLN A 60 -9.482 -5.552 10.379 1.00 10.12 H new ATOM 0 HG2 GLN A 60 -10.852 -7.419 11.357 1.00 40.52 H new ATOM 0 HG3 GLN A 60 -9.431 -8.443 11.323 1.00 40.52 H new ATOM 0 HE21 GLN A 60 -11.043 -7.582 13.616 1.00 53.52 H new ATOM 0 HE22 GLN A 60 -9.936 -6.742 14.707 1.00 53.52 H new ATOM 960 N ARG A 61 -9.756 -5.216 7.274 1.00 54.53 N ATOM 961 CA ARG A 61 -9.193 -4.281 6.290 1.00 21.40 C ATOM 962 C ARG A 61 -8.433 -3.143 6.990 1.00 23.33 C ATOM 963 O ARG A 61 -9.040 -2.225 7.544 1.00 2.14 O ATOM 964 CB ARG A 61 -10.295 -3.695 5.391 1.00 62.11 C ATOM 965 CG ARG A 61 -10.892 -4.682 4.386 1.00 43.43 C ATOM 966 CD ARG A 61 -11.802 -5.718 5.037 1.00 4.12 C ATOM 967 NE ARG A 61 -12.398 -6.621 4.053 1.00 11.25 N ATOM 968 CZ ARG A 61 -13.240 -7.572 4.345 1.00 10.44 C ATOM 969 NH1 ARG A 61 -13.646 -7.743 5.562 1.00 52.44 N ATOM 970 NH2 ARG A 61 -13.677 -8.348 3.411 1.00 41.23 N ATOM 0 H ARG A 61 -10.722 -5.020 7.536 1.00 54.53 H new ATOM 0 HA ARG A 61 -8.495 -4.840 5.667 1.00 21.40 H new ATOM 0 HB2 ARG A 61 -11.096 -3.312 6.024 1.00 62.11 H new ATOM 0 HB3 ARG A 61 -9.886 -2.845 4.845 1.00 62.11 H new ATOM 0 HG2 ARG A 61 -11.458 -4.130 3.635 1.00 43.43 H new ATOM 0 HG3 ARG A 61 -10.084 -5.194 3.864 1.00 43.43 H new ATOM 0 HD2 ARG A 61 -11.230 -6.298 5.762 1.00 4.12 H new ATOM 0 HD3 ARG A 61 -12.593 -5.210 5.588 1.00 4.12 H new ATOM 0 HE ARG A 61 -12.138 -6.499 3.074 1.00 11.25 H new ATOM 0 HH11 ARG A 61 -13.307 -7.130 6.304 1.00 52.44 H new ATOM 0 HH12 ARG A 61 -14.305 -8.490 5.779 1.00 52.44 H new ATOM 0 HH21 ARG A 61 -13.363 -8.216 2.450 1.00 41.23 H new ATOM 0 HH22 ARG A 61 -14.336 -9.094 3.634 1.00 41.23 H new ATOM 984 N ARG A 62 -7.104 -3.205 6.958 1.00 5.22 N ATOM 985 CA ARG A 62 -6.263 -2.200 7.621 1.00 54.43 C ATOM 986 C ARG A 62 -5.786 -1.126 6.626 1.00 73.53 C ATOM 987 O ARG A 62 -5.656 -1.389 5.428 1.00 53.33 O ATOM 988 CB ARG A 62 -5.077 -2.886 8.304 1.00 74.52 C ATOM 989 CG ARG A 62 -5.511 -4.033 9.212 1.00 54.42 C ATOM 990 CD ARG A 62 -4.417 -4.456 10.179 1.00 3.31 C ATOM 991 NE ARG A 62 -4.185 -3.459 11.222 1.00 65.53 N ATOM 992 CZ ARG A 62 -4.906 -3.352 12.311 1.00 74.22 C ATOM 993 NH1 ARG A 62 -5.911 -4.141 12.528 1.00 21.42 N ATOM 994 NH2 ARG A 62 -4.615 -2.448 13.186 1.00 70.41 N ATOM 0 H ARG A 62 -6.582 -3.940 6.481 1.00 5.22 H new ATOM 0 HA ARG A 62 -6.859 -1.693 8.380 1.00 54.43 H new ATOM 0 HB2 ARG A 62 -4.394 -3.266 7.544 1.00 74.52 H new ATOM 0 HB3 ARG A 62 -4.525 -2.152 8.890 1.00 74.52 H new ATOM 0 HG2 ARG A 62 -6.393 -3.731 9.776 1.00 54.42 H new ATOM 0 HG3 ARG A 62 -5.801 -4.887 8.600 1.00 54.42 H new ATOM 0 HD2 ARG A 62 -4.690 -5.405 10.640 1.00 3.31 H new ATOM 0 HD3 ARG A 62 -3.492 -4.624 9.627 1.00 3.31 H new ATOM 0 HE ARG A 62 -3.413 -2.805 11.094 1.00 65.53 H new ATOM 0 HH11 ARG A 62 -6.152 -4.860 11.845 1.00 21.42 H new ATOM 0 HH12 ARG A 62 -6.461 -4.043 13.381 1.00 21.42 H new ATOM 0 HH21 ARG A 62 -3.826 -1.821 13.028 1.00 70.41 H new ATOM 0 HH22 ARG A 62 -5.174 -2.361 14.035 1.00 70.41 H new ATOM 1008 N HIS A 63 -5.538 0.090 7.117 1.00 21.13 N ATOM 1009 CA HIS A 63 -5.193 1.221 6.239 1.00 20.04 C ATOM 1010 C HIS A 63 -3.971 2.003 6.761 1.00 22.35 C ATOM 1011 O HIS A 63 -3.951 2.462 7.906 1.00 2.44 O ATOM 1012 CB HIS A 63 -6.395 2.169 6.103 1.00 73.45 C ATOM 1013 CG HIS A 63 -7.693 1.475 5.798 1.00 74.11 C ATOM 1014 ND1 HIS A 63 -7.981 0.898 4.577 1.00 73.12 N ATOM 1015 CD2 HIS A 63 -8.788 1.267 6.570 1.00 23.24 C ATOM 1016 CE1 HIS A 63 -9.190 0.372 4.614 1.00 4.55 C ATOM 1017 NE2 HIS A 63 -9.700 0.579 5.810 1.00 72.24 N ATOM 0 H HIS A 63 -5.568 0.321 8.110 1.00 21.13 H new ATOM 0 HA HIS A 63 -4.935 0.810 5.263 1.00 20.04 H new ATOM 0 HB2 HIS A 63 -6.506 2.733 7.029 1.00 73.45 H new ATOM 0 HB3 HIS A 63 -6.187 2.891 5.313 1.00 73.45 H new ATOM 0 HD2 HIS A 63 -8.918 1.584 7.594 1.00 23.24 H new ATOM 0 HE1 HIS A 63 -9.679 -0.142 3.800 1.00 4.55 H new ATOM 0 HE2 HIS A 63 -10.623 0.277 6.121 1.00 72.24 H new ATOM 1026 N PHE A 64 -2.960 2.163 5.907 1.00 42.33 N ATOM 1027 CA PHE A 64 -1.725 2.877 6.275 1.00 12.24 C ATOM 1028 C PHE A 64 -1.433 4.019 5.287 1.00 14.53 C ATOM 1029 O PHE A 64 -1.220 3.782 4.102 1.00 1.23 O ATOM 1030 CB PHE A 64 -0.537 1.902 6.306 1.00 53.13 C ATOM 1031 CG PHE A 64 -0.763 0.702 7.193 1.00 24.14 C ATOM 1032 CD1 PHE A 64 -0.538 0.777 8.560 1.00 51.34 C ATOM 1033 CD2 PHE A 64 -1.210 -0.500 6.658 1.00 1.31 C ATOM 1034 CE1 PHE A 64 -0.752 -0.319 9.372 1.00 71.44 C ATOM 1035 CE2 PHE A 64 -1.425 -1.597 7.468 1.00 33.03 C ATOM 1036 CZ PHE A 64 -1.196 -1.507 8.825 1.00 14.03 C ATOM 0 H PHE A 64 -2.967 1.808 4.951 1.00 42.33 H new ATOM 0 HA PHE A 64 -1.867 3.305 7.267 1.00 12.24 H new ATOM 0 HB2 PHE A 64 -0.332 1.560 5.292 1.00 53.13 H new ATOM 0 HB3 PHE A 64 0.350 2.434 6.648 1.00 53.13 H new ATOM 0 HD1 PHE A 64 -0.191 1.703 8.994 1.00 51.34 H new ATOM 0 HD2 PHE A 64 -1.391 -0.577 5.596 1.00 1.31 H new ATOM 0 HE1 PHE A 64 -0.572 -0.247 10.435 1.00 71.44 H new ATOM 0 HE2 PHE A 64 -1.772 -2.525 7.039 1.00 33.03 H new ATOM 0 HZ PHE A 64 -1.364 -2.365 9.459 1.00 14.03 H new ATOM 1046 N ILE A 65 -1.426 5.257 5.776 1.00 74.13 N ATOM 1047 CA ILE A 65 -1.160 6.422 4.921 1.00 4.21 C ATOM 1048 C ILE A 65 0.350 6.614 4.691 1.00 63.34 C ATOM 1049 O ILE A 65 1.158 6.360 5.584 1.00 4.33 O ATOM 1050 CB ILE A 65 -1.759 7.715 5.535 1.00 54.30 C ATOM 1051 CG1 ILE A 65 -3.268 7.540 5.790 1.00 31.23 C ATOM 1052 CG2 ILE A 65 -1.505 8.914 4.621 1.00 31.45 C ATOM 1053 CD1 ILE A 65 -3.940 8.761 6.389 1.00 63.43 C ATOM 0 H ILE A 65 -1.600 5.484 6.755 1.00 74.13 H new ATOM 0 HA ILE A 65 -1.640 6.231 3.961 1.00 4.21 H new ATOM 0 HB ILE A 65 -1.266 7.902 6.489 1.00 54.30 H new ATOM 0 HG12 ILE A 65 -3.759 7.294 4.848 1.00 31.23 H new ATOM 0 HG13 ILE A 65 -3.417 6.692 6.458 1.00 31.23 H new ATOM 0 HG21 ILE A 65 -1.933 9.811 5.070 1.00 31.45 H new ATOM 0 HG22 ILE A 65 -0.432 9.051 4.490 1.00 31.45 H new ATOM 0 HG23 ILE A 65 -1.969 8.737 3.651 1.00 31.45 H new ATOM 0 HD11 ILE A 65 -5.000 8.557 6.538 1.00 63.43 H new ATOM 0 HD12 ILE A 65 -3.478 8.997 7.348 1.00 63.43 H new ATOM 0 HD13 ILE A 65 -3.825 9.608 5.713 1.00 63.43 H new ATOM 1065 N ILE A 66 0.720 7.054 3.489 1.00 42.43 N ATOM 1066 CA ILE A 66 2.130 7.264 3.133 1.00 2.02 C ATOM 1067 C ILE A 66 2.594 8.697 3.461 1.00 32.12 C ATOM 1068 O ILE A 66 2.004 9.673 2.993 1.00 24.52 O ATOM 1069 CB ILE A 66 2.362 6.995 1.622 1.00 42.34 C ATOM 1070 CG1 ILE A 66 1.874 5.584 1.240 1.00 25.31 C ATOM 1071 CG2 ILE A 66 3.837 7.173 1.266 1.00 32.42 C ATOM 1072 CD1 ILE A 66 2.020 5.256 -0.234 1.00 71.14 C ATOM 0 H ILE A 66 0.063 7.274 2.740 1.00 42.43 H new ATOM 0 HA ILE A 66 2.714 6.561 3.727 1.00 2.02 H new ATOM 0 HB ILE A 66 1.783 7.721 1.051 1.00 42.34 H new ATOM 0 HG12 ILE A 66 2.430 4.849 1.822 1.00 25.31 H new ATOM 0 HG13 ILE A 66 0.825 5.485 1.521 1.00 25.31 H new ATOM 0 HG21 ILE A 66 3.980 6.980 0.203 1.00 32.42 H new ATOM 0 HG22 ILE A 66 4.146 8.193 1.495 1.00 32.42 H new ATOM 0 HG23 ILE A 66 4.438 6.473 1.846 1.00 32.42 H new ATOM 0 HD11 ILE A 66 1.654 4.246 -0.420 1.00 71.14 H new ATOM 0 HD12 ILE A 66 1.440 5.966 -0.824 1.00 71.14 H new ATOM 0 HD13 ILE A 66 3.070 5.320 -0.519 1.00 71.14 H new ATOM 1084 N GLN A 67 3.650 8.819 4.267 1.00 62.42 N ATOM 1085 CA GLN A 67 4.221 10.130 4.615 1.00 32.45 C ATOM 1086 C GLN A 67 5.360 10.533 3.658 1.00 61.01 C ATOM 1087 O GLN A 67 6.310 9.776 3.437 1.00 72.21 O ATOM 1088 CB GLN A 67 4.730 10.139 6.068 1.00 20.23 C ATOM 1089 CG GLN A 67 3.619 10.149 7.117 1.00 22.01 C ATOM 1090 CD GLN A 67 2.808 8.861 7.152 1.00 0.23 C ATOM 1091 OE1 GLN A 67 3.321 7.779 6.892 1.00 55.42 O ATOM 1092 NE2 GLN A 67 1.532 8.969 7.468 1.00 23.34 N ATOM 0 H GLN A 67 4.131 8.027 4.694 1.00 62.42 H new ATOM 0 HA GLN A 67 3.420 10.863 4.514 1.00 32.45 H new ATOM 0 HB2 GLN A 67 5.358 9.262 6.227 1.00 20.23 H new ATOM 0 HB3 GLN A 67 5.362 11.015 6.215 1.00 20.23 H new ATOM 0 HG2 GLN A 67 4.059 10.319 8.100 1.00 22.01 H new ATOM 0 HG3 GLN A 67 2.949 10.986 6.918 1.00 22.01 H new ATOM 0 HE21 GLN A 67 1.135 9.884 7.679 1.00 23.34 H new ATOM 0 HE22 GLN A 67 0.943 8.137 7.501 1.00 23.34 H new ATOM 1101 N TYR A 68 5.248 11.732 3.097 1.00 41.01 N ATOM 1102 CA TYR A 68 6.266 12.289 2.197 1.00 21.13 C ATOM 1103 C TYR A 68 7.298 13.118 2.984 1.00 34.14 C ATOM 1104 O TYR A 68 7.027 14.253 3.375 1.00 23.41 O ATOM 1105 CB TYR A 68 5.573 13.155 1.133 1.00 34.14 C ATOM 1106 CG TYR A 68 6.515 13.846 0.161 1.00 24.42 C ATOM 1107 CD1 TYR A 68 7.193 13.127 -0.819 1.00 74.21 C ATOM 1108 CD2 TYR A 68 6.710 15.224 0.213 1.00 54.51 C ATOM 1109 CE1 TYR A 68 8.039 13.759 -1.711 1.00 52.21 C ATOM 1110 CE2 TYR A 68 7.555 15.861 -0.675 1.00 25.01 C ATOM 1111 CZ TYR A 68 8.214 15.126 -1.638 1.00 63.51 C ATOM 1112 OH TYR A 68 9.058 15.757 -2.527 1.00 64.44 O ATOM 0 H TYR A 68 4.451 12.350 3.250 1.00 41.01 H new ATOM 0 HA TYR A 68 6.801 11.474 1.710 1.00 21.13 H new ATOM 0 HB2 TYR A 68 4.885 12.528 0.566 1.00 34.14 H new ATOM 0 HB3 TYR A 68 4.973 13.913 1.636 1.00 34.14 H new ATOM 0 HD1 TYR A 68 7.056 12.058 -0.884 1.00 74.21 H new ATOM 0 HD2 TYR A 68 6.191 15.805 0.961 1.00 54.51 H new ATOM 0 HE1 TYR A 68 8.561 13.185 -2.462 1.00 52.21 H new ATOM 0 HE2 TYR A 68 7.699 16.930 -0.615 1.00 25.01 H new ATOM 0 HH TYR A 68 9.069 16.719 -2.341 1.00 64.44 H new ATOM 1122 N VAL A 69 8.473 12.538 3.232 1.00 55.52 N ATOM 1123 CA VAL A 69 9.528 13.206 4.014 1.00 34.25 C ATOM 1124 C VAL A 69 10.887 13.143 3.292 1.00 10.41 C ATOM 1125 O VAL A 69 11.290 12.083 2.811 1.00 74.24 O ATOM 1126 CB VAL A 69 9.670 12.567 5.425 1.00 23.35 C ATOM 1127 CG1 VAL A 69 10.746 13.280 6.242 1.00 31.20 C ATOM 1128 CG2 VAL A 69 8.331 12.577 6.166 1.00 73.53 C ATOM 0 H VAL A 69 8.724 11.605 2.904 1.00 55.52 H new ATOM 0 HA VAL A 69 9.231 14.249 4.121 1.00 34.25 H new ATOM 0 HB VAL A 69 9.977 11.529 5.294 1.00 23.35 H new ATOM 0 HG11 VAL A 69 10.825 12.814 7.224 1.00 31.20 H new ATOM 0 HG12 VAL A 69 11.703 13.205 5.726 1.00 31.20 H new ATOM 0 HG13 VAL A 69 10.478 14.330 6.359 1.00 31.20 H new ATOM 0 HG21 VAL A 69 8.456 12.125 7.150 1.00 73.53 H new ATOM 0 HG22 VAL A 69 7.986 13.605 6.280 1.00 73.53 H new ATOM 0 HG23 VAL A 69 7.596 12.008 5.597 1.00 73.53 H new ATOM 1138 N ASP A 70 11.586 14.283 3.222 1.00 23.22 N ATOM 1139 CA ASP A 70 12.888 14.375 2.534 1.00 51.51 C ATOM 1140 C ASP A 70 12.803 13.893 1.074 1.00 73.14 C ATOM 1141 O ASP A 70 13.709 13.227 0.567 1.00 60.20 O ATOM 1142 CB ASP A 70 13.959 13.586 3.303 1.00 50.23 C ATOM 1143 CG ASP A 70 14.213 14.164 4.684 1.00 35.20 C ATOM 1144 OD1 ASP A 70 14.513 15.373 4.778 1.00 5.34 O ATOM 1145 OD2 ASP A 70 14.108 13.423 5.682 1.00 2.21 O ATOM 0 H ASP A 70 11.272 15.161 3.635 1.00 23.22 H new ATOM 0 HA ASP A 70 13.173 15.427 2.512 1.00 51.51 H new ATOM 0 HB2 ASP A 70 13.645 12.547 3.398 1.00 50.23 H new ATOM 0 HB3 ASP A 70 14.888 13.587 2.733 1.00 50.23 H new ATOM 1150 N ASN A 71 11.709 14.261 0.401 1.00 62.40 N ATOM 1151 CA ASN A 71 11.452 13.849 -0.990 1.00 51.12 C ATOM 1152 C ASN A 71 11.388 12.318 -1.146 1.00 31.42 C ATOM 1153 O ASN A 71 11.497 11.789 -2.254 1.00 63.54 O ATOM 1154 CB ASN A 71 12.498 14.452 -1.941 1.00 52.52 C ATOM 1155 CG ASN A 71 12.397 15.966 -2.020 1.00 33.22 C ATOM 1156 OD1 ASN A 71 12.026 16.630 -1.057 1.00 14.32 O ATOM 1157 ND2 ASN A 71 12.714 16.524 -3.170 1.00 41.12 N ATOM 0 H ASN A 71 10.977 14.850 0.799 1.00 62.40 H new ATOM 0 HA ASN A 71 10.470 14.238 -1.260 1.00 51.12 H new ATOM 0 HB2 ASN A 71 13.496 14.173 -1.604 1.00 52.52 H new ATOM 0 HB3 ASN A 71 12.368 14.028 -2.937 1.00 52.52 H new ATOM 0 HD21 ASN A 71 12.655 17.536 -3.279 1.00 41.12 H new ATOM 0 HD22 ASN A 71 13.019 15.944 -3.951 1.00 41.12 H new ATOM 1164 N MET A 72 11.188 11.614 -0.032 1.00 62.45 N ATOM 1165 CA MET A 72 11.042 10.154 -0.043 1.00 54.01 C ATOM 1166 C MET A 72 9.741 9.723 0.654 1.00 64.31 C ATOM 1167 O MET A 72 9.378 10.253 1.706 1.00 0.15 O ATOM 1168 CB MET A 72 12.250 9.487 0.632 1.00 51.12 C ATOM 1169 CG MET A 72 13.564 9.720 -0.103 1.00 25.12 C ATOM 1170 SD MET A 72 14.959 8.864 0.660 1.00 13.21 S ATOM 1171 CE MET A 72 16.280 9.308 -0.468 1.00 13.31 C ATOM 0 H MET A 72 11.123 12.032 0.896 1.00 62.45 H new ATOM 0 HA MET A 72 10.996 9.830 -1.083 1.00 54.01 H new ATOM 0 HB2 MET A 72 12.341 9.865 1.650 1.00 51.12 H new ATOM 0 HB3 MET A 72 12.069 8.415 0.705 1.00 51.12 H new ATOM 0 HG2 MET A 72 13.461 9.387 -1.136 1.00 25.12 H new ATOM 0 HG3 MET A 72 13.773 10.789 -0.133 1.00 25.12 H new ATOM 0 HE1 MET A 72 17.213 8.854 -0.133 1.00 13.31 H new ATOM 0 HE2 MET A 72 16.040 8.948 -1.469 1.00 13.31 H new ATOM 0 HE3 MET A 72 16.391 10.392 -0.489 1.00 13.31 H new ATOM 1181 N TYR A 73 9.045 8.766 0.052 1.00 30.54 N ATOM 1182 CA TYR A 73 7.788 8.247 0.598 1.00 34.44 C ATOM 1183 C TYR A 73 8.043 7.107 1.594 1.00 61.35 C ATOM 1184 O TYR A 73 8.771 6.158 1.293 1.00 20.43 O ATOM 1185 CB TYR A 73 6.894 7.757 -0.548 1.00 50.55 C ATOM 1186 CG TYR A 73 6.601 8.829 -1.586 1.00 61.12 C ATOM 1187 CD1 TYR A 73 5.527 9.701 -1.431 1.00 22.12 C ATOM 1188 CD2 TYR A 73 7.401 8.971 -2.717 1.00 73.51 C ATOM 1189 CE1 TYR A 73 5.260 10.677 -2.373 1.00 64.15 C ATOM 1190 CE2 TYR A 73 7.140 9.948 -3.661 1.00 4.43 C ATOM 1191 CZ TYR A 73 6.069 10.799 -3.483 1.00 3.50 C ATOM 1192 OH TYR A 73 5.806 11.779 -4.414 1.00 24.13 O ATOM 0 H TYR A 73 9.330 8.327 -0.824 1.00 30.54 H new ATOM 0 HA TYR A 73 7.286 9.053 1.134 1.00 34.44 H new ATOM 0 HB2 TYR A 73 7.375 6.910 -1.037 1.00 50.55 H new ATOM 0 HB3 TYR A 73 5.953 7.395 -0.135 1.00 50.55 H new ATOM 0 HD1 TYR A 73 4.893 9.614 -0.561 1.00 22.12 H new ATOM 0 HD2 TYR A 73 8.240 8.306 -2.860 1.00 73.51 H new ATOM 0 HE1 TYR A 73 4.420 11.342 -2.240 1.00 64.15 H new ATOM 0 HE2 TYR A 73 7.771 10.044 -4.532 1.00 4.43 H new ATOM 0 HH TYR A 73 6.469 11.732 -5.135 1.00 24.13 H new ATOM 1202 N ARG A 74 7.441 7.198 2.776 1.00 14.22 N ATOM 1203 CA ARG A 74 7.647 6.193 3.825 1.00 22.32 C ATOM 1204 C ARG A 74 6.384 5.978 4.668 1.00 72.22 C ATOM 1205 O ARG A 74 5.397 6.697 4.531 1.00 54.53 O ATOM 1206 CB ARG A 74 8.802 6.621 4.742 1.00 62.10 C ATOM 1207 CG ARG A 74 8.483 7.825 5.628 1.00 34.21 C ATOM 1208 CD ARG A 74 9.673 8.215 6.497 1.00 11.34 C ATOM 1209 NE ARG A 74 9.326 9.232 7.490 1.00 43.20 N ATOM 1210 CZ ARG A 74 10.192 10.009 8.082 1.00 4.51 C ATOM 1211 NH1 ARG A 74 11.440 9.982 7.738 1.00 31.43 N ATOM 1212 NH2 ARG A 74 9.800 10.830 9.000 1.00 75.53 N ATOM 0 H ARG A 74 6.807 7.954 3.035 1.00 14.22 H new ATOM 0 HA ARG A 74 7.889 5.252 3.331 1.00 22.32 H new ATOM 0 HB2 ARG A 74 9.078 5.779 5.377 1.00 62.10 H new ATOM 0 HB3 ARG A 74 9.671 6.856 4.128 1.00 62.10 H new ATOM 0 HG2 ARG A 74 8.196 8.671 5.003 1.00 34.21 H new ATOM 0 HG3 ARG A 74 7.628 7.593 6.264 1.00 34.21 H new ATOM 0 HD2 ARG A 74 10.055 7.329 7.005 1.00 11.34 H new ATOM 0 HD3 ARG A 74 10.476 8.589 5.862 1.00 11.34 H new ATOM 0 HE ARG A 74 8.342 9.341 7.736 1.00 43.20 H new ATOM 0 HH11 ARG A 74 11.752 9.351 7.000 1.00 31.43 H new ATOM 0 HH12 ARG A 74 12.111 10.592 8.205 1.00 31.43 H new ATOM 0 HH21 ARG A 74 8.815 10.870 9.261 1.00 75.53 H new ATOM 0 HH22 ARG A 74 10.476 11.438 9.463 1.00 75.53 H new ATOM 1226 N PHE A 75 6.431 4.972 5.541 1.00 41.25 N ATOM 1227 CA PHE A 75 5.354 4.731 6.507 1.00 75.21 C ATOM 1228 C PHE A 75 5.814 5.083 7.934 1.00 2.21 C ATOM 1229 O PHE A 75 5.271 5.995 8.558 1.00 52.33 O ATOM 1230 CB PHE A 75 4.880 3.275 6.436 1.00 54.20 C ATOM 1231 CG PHE A 75 4.161 2.937 5.152 1.00 24.44 C ATOM 1232 CD1 PHE A 75 2.822 3.263 4.989 1.00 51.44 C ATOM 1233 CD2 PHE A 75 4.821 2.294 4.111 1.00 51.24 C ATOM 1234 CE1 PHE A 75 2.154 2.955 3.818 1.00 73.44 C ATOM 1235 CE2 PHE A 75 4.156 1.983 2.939 1.00 53.50 C ATOM 1236 CZ PHE A 75 2.821 2.314 2.793 1.00 64.42 C ATOM 0 H PHE A 75 7.204 4.309 5.601 1.00 41.25 H new ATOM 0 HA PHE A 75 4.515 5.377 6.250 1.00 75.21 H new ATOM 0 HB2 PHE A 75 5.741 2.615 6.545 1.00 54.20 H new ATOM 0 HB3 PHE A 75 4.217 3.076 7.278 1.00 54.20 H new ATOM 0 HD1 PHE A 75 2.295 3.764 5.787 1.00 51.44 H new ATOM 0 HD2 PHE A 75 5.864 2.035 4.219 1.00 51.24 H new ATOM 0 HE1 PHE A 75 1.112 3.216 3.705 1.00 73.44 H new ATOM 0 HE2 PHE A 75 4.679 1.482 2.138 1.00 53.50 H new ATOM 0 HZ PHE A 75 2.301 2.071 1.878 1.00 64.42 H new ATOM 1246 N GLU A 76 6.814 4.360 8.448 1.00 52.41 N ATOM 1247 CA GLU A 76 7.399 4.679 9.762 1.00 72.14 C ATOM 1248 C GLU A 76 8.821 5.256 9.630 1.00 32.00 C ATOM 1249 O GLU A 76 9.037 6.450 9.850 1.00 53.03 O ATOM 1250 CB GLU A 76 7.421 3.444 10.682 1.00 54.02 C ATOM 1251 CG GLU A 76 6.041 2.992 11.152 1.00 62.14 C ATOM 1252 CD GLU A 76 6.103 2.008 12.316 1.00 35.21 C ATOM 1253 OE1 GLU A 76 6.345 0.807 12.081 1.00 12.10 O ATOM 1254 OE2 GLU A 76 5.917 2.439 13.474 1.00 4.33 O ATOM 0 H GLU A 76 7.235 3.556 7.982 1.00 52.41 H new ATOM 0 HA GLU A 76 6.760 5.440 10.211 1.00 72.14 H new ATOM 0 HB2 GLU A 76 7.901 2.620 10.154 1.00 54.02 H new ATOM 0 HB3 GLU A 76 8.036 3.665 11.555 1.00 54.02 H new ATOM 0 HG2 GLU A 76 5.461 3.865 11.451 1.00 62.14 H new ATOM 0 HG3 GLU A 76 5.513 2.529 10.319 1.00 62.14 H new ATOM 1261 N GLY A 77 9.791 4.413 9.267 1.00 3.14 N ATOM 1262 CA GLY A 77 11.187 4.849 9.228 1.00 2.24 C ATOM 1263 C GLY A 77 11.775 4.938 7.820 1.00 3.13 C ATOM 1264 O GLY A 77 11.897 6.030 7.260 1.00 44.40 O ATOM 0 H GLY A 77 9.639 3.440 9.000 1.00 3.14 H new ATOM 0 HA2 GLY A 77 11.264 5.826 9.705 1.00 2.24 H new ATOM 0 HA3 GLY A 77 11.789 4.158 9.818 1.00 2.24 H new ATOM 1268 N THR A 78 12.147 3.793 7.249 1.00 1.41 N ATOM 1269 CA THR A 78 12.816 3.751 5.936 1.00 51.53 C ATOM 1270 C THR A 78 11.916 4.277 4.807 1.00 42.11 C ATOM 1271 O THR A 78 10.785 3.819 4.633 1.00 21.45 O ATOM 1272 CB THR A 78 13.274 2.312 5.582 1.00 2.21 C ATOM 1273 OG1 THR A 78 14.175 1.816 6.587 1.00 30.11 O ATOM 1274 CG2 THR A 78 13.967 2.266 4.223 1.00 3.15 C ATOM 0 H THR A 78 11.999 2.876 7.671 1.00 1.41 H new ATOM 0 HA THR A 78 13.686 4.402 6.021 1.00 51.53 H new ATOM 0 HB THR A 78 12.383 1.685 5.540 1.00 2.21 H new ATOM 0 HG1 THR A 78 14.456 0.907 6.354 1.00 30.11 H new ATOM 0 HG21 THR A 78 14.275 1.243 4.006 1.00 3.15 H new ATOM 0 HG22 THR A 78 13.278 2.609 3.451 1.00 3.15 H new ATOM 0 HG23 THR A 78 14.844 2.913 4.240 1.00 3.15 H new ATOM 1282 N GLY A 79 12.430 5.240 4.041 1.00 53.41 N ATOM 1283 CA GLY A 79 11.679 5.806 2.924 1.00 41.12 C ATOM 1284 C GLY A 79 12.300 5.503 1.561 1.00 74.35 C ATOM 1285 O GLY A 79 13.487 5.186 1.462 1.00 22.14 O ATOM 0 H GLY A 79 13.358 5.641 4.174 1.00 53.41 H new ATOM 0 HA2 GLY A 79 10.661 5.417 2.946 1.00 41.12 H new ATOM 0 HA3 GLY A 79 11.610 6.886 3.052 1.00 41.12 H new ATOM 1289 N PHE A 80 11.486 5.590 0.511 1.00 33.30 N ATOM 1290 CA PHE A 80 11.949 5.385 -0.870 1.00 14.12 C ATOM 1291 C PHE A 80 11.611 6.605 -1.736 1.00 54.30 C ATOM 1292 O PHE A 80 10.548 7.206 -1.587 1.00 73.21 O ATOM 1293 CB PHE A 80 11.302 4.128 -1.471 1.00 71.12 C ATOM 1294 CG PHE A 80 11.736 2.841 -0.811 1.00 11.41 C ATOM 1295 CD1 PHE A 80 11.217 2.462 0.421 1.00 40.52 C ATOM 1296 CD2 PHE A 80 12.659 2.008 -1.426 1.00 75.00 C ATOM 1297 CE1 PHE A 80 11.608 1.281 1.022 1.00 74.42 C ATOM 1298 CE2 PHE A 80 13.054 0.827 -0.827 1.00 33.24 C ATOM 1299 CZ PHE A 80 12.527 0.463 0.398 1.00 13.13 C ATOM 0 H PHE A 80 10.491 5.803 0.587 1.00 33.30 H new ATOM 0 HA PHE A 80 13.031 5.253 -0.851 1.00 14.12 H new ATOM 0 HB2 PHE A 80 10.218 4.217 -1.394 1.00 71.12 H new ATOM 0 HB3 PHE A 80 11.543 4.080 -2.533 1.00 71.12 H new ATOM 0 HD1 PHE A 80 10.498 3.099 0.915 1.00 40.52 H new ATOM 0 HD2 PHE A 80 13.074 2.286 -2.384 1.00 75.00 H new ATOM 0 HE1 PHE A 80 11.195 0.999 1.979 1.00 74.42 H new ATOM 0 HE2 PHE A 80 13.775 0.188 -1.316 1.00 33.24 H new ATOM 0 HZ PHE A 80 12.834 -0.461 0.866 1.00 13.13 H new ATOM 1309 N SER A 81 12.512 6.960 -2.647 1.00 75.25 N ATOM 1310 CA SER A 81 12.325 8.139 -3.510 1.00 33.32 C ATOM 1311 C SER A 81 11.058 8.023 -4.375 1.00 63.55 C ATOM 1312 O SER A 81 10.494 9.031 -4.799 1.00 23.52 O ATOM 1313 CB SER A 81 13.547 8.343 -4.418 1.00 72.10 C ATOM 1314 OG SER A 81 14.746 8.461 -3.662 1.00 35.23 O ATOM 0 H SER A 81 13.381 6.453 -2.813 1.00 75.25 H new ATOM 0 HA SER A 81 12.210 9.000 -2.852 1.00 33.32 H new ATOM 0 HB2 SER A 81 13.632 7.504 -5.108 1.00 72.10 H new ATOM 0 HB3 SER A 81 13.407 9.240 -5.022 1.00 72.10 H new ATOM 0 HG SER A 81 15.505 8.588 -4.269 1.00 35.23 H new ATOM 1320 N ASN A 82 10.619 6.791 -4.638 1.00 71.10 N ATOM 1321 CA ASN A 82 9.431 6.548 -5.467 1.00 1.02 C ATOM 1322 C ASN A 82 8.447 5.585 -4.777 1.00 64.13 C ATOM 1323 O ASN A 82 8.858 4.596 -4.162 1.00 11.43 O ATOM 1324 CB ASN A 82 9.849 5.967 -6.825 1.00 14.51 C ATOM 1325 CG ASN A 82 10.819 6.864 -7.573 1.00 50.24 C ATOM 1326 OD1 ASN A 82 10.420 7.712 -8.364 1.00 22.11 O ATOM 1327 ND2 ASN A 82 12.100 6.687 -7.324 1.00 51.24 N ATOM 0 H ASN A 82 11.067 5.943 -4.290 1.00 71.10 H new ATOM 0 HA ASN A 82 8.927 7.503 -5.613 1.00 1.02 H new ATOM 0 HB2 ASN A 82 10.308 4.990 -6.672 1.00 14.51 H new ATOM 0 HB3 ASN A 82 8.961 5.809 -7.437 1.00 14.51 H new ATOM 0 HD21 ASN A 82 12.796 7.265 -7.795 1.00 51.24 H new ATOM 0 HD22 ASN A 82 12.396 5.972 -6.660 1.00 51.24 H new ATOM 1334 N ILE A 83 7.147 5.867 -4.901 1.00 72.13 N ATOM 1335 CA ILE A 83 6.096 5.005 -4.331 1.00 2.44 C ATOM 1336 C ILE A 83 6.153 3.562 -4.886 1.00 25.13 C ATOM 1337 O ILE A 83 6.065 2.600 -4.115 1.00 52.22 O ATOM 1338 CB ILE A 83 4.677 5.603 -4.564 1.00 13.24 C ATOM 1339 CG1 ILE A 83 4.545 6.956 -3.846 1.00 13.23 C ATOM 1340 CG2 ILE A 83 3.587 4.633 -4.097 1.00 24.04 C ATOM 1341 CD1 ILE A 83 3.190 7.612 -4.007 1.00 25.52 C ATOM 0 H ILE A 83 6.792 6.687 -5.392 1.00 72.13 H new ATOM 0 HA ILE A 83 6.289 4.962 -3.259 1.00 2.44 H new ATOM 0 HB ILE A 83 4.545 5.762 -5.634 1.00 13.24 H new ATOM 0 HG12 ILE A 83 4.743 6.812 -2.784 1.00 13.23 H new ATOM 0 HG13 ILE A 83 5.311 7.632 -4.225 1.00 13.23 H new ATOM 0 HG21 ILE A 83 2.607 5.076 -4.271 1.00 24.04 H new ATOM 0 HG22 ILE A 83 3.668 3.700 -4.654 1.00 24.04 H new ATOM 0 HG23 ILE A 83 3.710 4.432 -3.033 1.00 24.04 H new ATOM 0 HD11 ILE A 83 3.179 8.561 -3.471 1.00 25.52 H new ATOM 0 HD12 ILE A 83 2.995 7.790 -5.065 1.00 25.52 H new ATOM 0 HD13 ILE A 83 2.418 6.958 -3.601 1.00 25.52 H new ATOM 1353 N PRO A 84 6.291 3.369 -6.226 1.00 54.35 N ATOM 1354 CA PRO A 84 6.469 2.029 -6.809 1.00 63.32 C ATOM 1355 C PRO A 84 7.618 1.249 -6.142 1.00 54.40 C ATOM 1356 O PRO A 84 7.491 0.059 -5.878 1.00 21.31 O ATOM 1357 CB PRO A 84 6.773 2.303 -8.299 1.00 14.33 C ATOM 1358 CG PRO A 84 7.041 3.773 -8.388 1.00 53.42 C ATOM 1359 CD PRO A 84 6.258 4.406 -7.272 1.00 50.34 C ATOM 0 HA PRO A 84 5.587 1.405 -6.664 1.00 63.32 H new ATOM 0 HB2 PRO A 84 7.634 1.726 -8.637 1.00 14.33 H new ATOM 0 HB3 PRO A 84 5.931 2.019 -8.930 1.00 14.33 H new ATOM 0 HG2 PRO A 84 8.106 3.982 -8.285 1.00 53.42 H new ATOM 0 HG3 PRO A 84 6.731 4.168 -9.355 1.00 53.42 H new ATOM 0 HD2 PRO A 84 6.714 5.337 -6.934 1.00 50.34 H new ATOM 0 HD3 PRO A 84 5.238 4.643 -7.576 1.00 50.34 H new ATOM 1367 N GLN A 85 8.731 1.933 -5.854 1.00 0.43 N ATOM 1368 CA GLN A 85 9.871 1.310 -5.160 1.00 64.05 C ATOM 1369 C GLN A 85 9.524 0.947 -3.709 1.00 73.44 C ATOM 1370 O GLN A 85 9.932 -0.099 -3.206 1.00 53.41 O ATOM 1371 CB GLN A 85 11.097 2.237 -5.198 1.00 4.24 C ATOM 1372 CG GLN A 85 11.905 2.138 -6.490 1.00 45.44 C ATOM 1373 CD GLN A 85 12.612 0.797 -6.628 1.00 73.55 C ATOM 1374 OE1 GLN A 85 13.741 0.626 -6.175 1.00 60.23 O ATOM 1375 NE2 GLN A 85 11.959 -0.168 -7.249 1.00 32.20 N ATOM 0 H GLN A 85 8.870 2.916 -6.089 1.00 0.43 H new ATOM 0 HA GLN A 85 10.108 0.385 -5.686 1.00 64.05 H new ATOM 0 HB2 GLN A 85 10.766 3.267 -5.065 1.00 4.24 H new ATOM 0 HB3 GLN A 85 11.746 2.000 -4.355 1.00 4.24 H new ATOM 0 HG2 GLN A 85 11.242 2.286 -7.343 1.00 45.44 H new ATOM 0 HG3 GLN A 85 12.643 2.940 -6.517 1.00 45.44 H new ATOM 0 HE21 GLN A 85 11.022 0.003 -7.615 1.00 32.20 H new ATOM 0 HE22 GLN A 85 12.391 -1.085 -7.363 1.00 32.20 H new ATOM 1384 N LEU A 86 8.773 1.816 -3.043 1.00 15.21 N ATOM 1385 CA LEU A 86 8.309 1.559 -1.675 1.00 32.22 C ATOM 1386 C LEU A 86 7.550 0.223 -1.593 1.00 64.33 C ATOM 1387 O LEU A 86 7.931 -0.687 -0.841 1.00 34.23 O ATOM 1388 CB LEU A 86 7.409 2.722 -1.222 1.00 71.34 C ATOM 1389 CG LEU A 86 6.788 2.596 0.182 1.00 62.04 C ATOM 1390 CD1 LEU A 86 7.871 2.499 1.257 1.00 74.14 C ATOM 1391 CD2 LEU A 86 5.857 3.780 0.459 1.00 1.51 C ATOM 0 H LEU A 86 8.468 2.711 -3.426 1.00 15.21 H new ATOM 0 HA LEU A 86 9.172 1.488 -1.013 1.00 32.22 H new ATOM 0 HB2 LEU A 86 7.994 3.641 -1.256 1.00 71.34 H new ATOM 0 HB3 LEU A 86 6.601 2.831 -1.945 1.00 71.34 H new ATOM 0 HG LEU A 86 6.203 1.677 0.214 1.00 62.04 H new ATOM 0 HD11 LEU A 86 7.403 2.411 2.238 1.00 74.14 H new ATOM 0 HD12 LEU A 86 8.491 1.622 1.071 1.00 74.14 H new ATOM 0 HD13 LEU A 86 8.492 3.395 1.230 1.00 74.14 H new ATOM 0 HD21 LEU A 86 5.425 3.678 1.455 1.00 1.51 H new ATOM 0 HD22 LEU A 86 6.424 4.709 0.403 1.00 1.51 H new ATOM 0 HD23 LEU A 86 5.059 3.796 -0.283 1.00 1.51 H new ATOM 1403 N ILE A 87 6.493 0.106 -2.390 1.00 51.41 N ATOM 1404 CA ILE A 87 5.669 -1.105 -2.410 1.00 63.14 C ATOM 1405 C ILE A 87 6.440 -2.312 -2.974 1.00 12.33 C ATOM 1406 O ILE A 87 6.491 -3.370 -2.346 1.00 71.24 O ATOM 1407 CB ILE A 87 4.378 -0.880 -3.242 1.00 43.31 C ATOM 1408 CG1 ILE A 87 3.557 0.286 -2.659 1.00 52.31 C ATOM 1409 CG2 ILE A 87 3.535 -2.158 -3.308 1.00 12.42 C ATOM 1410 CD1 ILE A 87 3.103 0.071 -1.228 1.00 41.40 C ATOM 0 H ILE A 87 6.184 0.835 -3.033 1.00 51.41 H new ATOM 0 HA ILE A 87 5.400 -1.323 -1.377 1.00 63.14 H new ATOM 0 HB ILE A 87 4.671 -0.621 -4.259 1.00 43.31 H new ATOM 0 HG12 ILE A 87 4.155 1.196 -2.706 1.00 52.31 H new ATOM 0 HG13 ILE A 87 2.680 0.448 -3.286 1.00 52.31 H new ATOM 0 HG21 ILE A 87 2.637 -1.971 -3.897 1.00 12.42 H new ATOM 0 HG22 ILE A 87 4.116 -2.953 -3.775 1.00 12.42 H new ATOM 0 HG23 ILE A 87 3.252 -2.459 -2.300 1.00 12.42 H new ATOM 0 HD11 ILE A 87 2.532 0.937 -0.893 1.00 41.40 H new ATOM 0 HD12 ILE A 87 2.476 -0.819 -1.175 1.00 41.40 H new ATOM 0 HD13 ILE A 87 3.974 -0.059 -0.586 1.00 41.40 H new ATOM 1422 N ASP A 88 7.051 -2.139 -4.148 1.00 13.11 N ATOM 1423 CA ASP A 88 7.778 -3.226 -4.822 1.00 4.43 C ATOM 1424 C ASP A 88 8.891 -3.811 -3.938 1.00 44.53 C ATOM 1425 O ASP A 88 8.996 -5.025 -3.787 1.00 22.13 O ATOM 1426 CB ASP A 88 8.367 -2.729 -6.148 1.00 53.42 C ATOM 1427 CG ASP A 88 9.136 -3.810 -6.891 1.00 12.25 C ATOM 1428 OD1 ASP A 88 8.500 -4.598 -7.624 1.00 61.13 O ATOM 1429 OD2 ASP A 88 10.377 -3.874 -6.741 1.00 11.13 O ATOM 0 H ASP A 88 7.059 -1.255 -4.656 1.00 13.11 H new ATOM 0 HA ASP A 88 7.061 -4.023 -5.019 1.00 4.43 H new ATOM 0 HB2 ASP A 88 7.561 -2.360 -6.783 1.00 53.42 H new ATOM 0 HB3 ASP A 88 9.030 -1.886 -5.953 1.00 53.42 H new ATOM 1434 N HIS A 89 9.718 -2.949 -3.348 1.00 44.30 N ATOM 1435 CA HIS A 89 10.831 -3.416 -2.515 1.00 14.43 C ATOM 1436 C HIS A 89 10.324 -4.211 -1.303 1.00 1.20 C ATOM 1437 O HIS A 89 10.880 -5.255 -0.963 1.00 11.21 O ATOM 1438 CB HIS A 89 11.709 -2.244 -2.057 1.00 62.15 C ATOM 1439 CG HIS A 89 13.021 -2.675 -1.467 1.00 64.30 C ATOM 1440 ND1 HIS A 89 13.254 -2.752 -0.112 1.00 45.22 N ATOM 1441 CD2 HIS A 89 14.178 -3.053 -2.061 1.00 74.43 C ATOM 1442 CE1 HIS A 89 14.490 -3.152 0.101 1.00 74.25 C ATOM 1443 NE2 HIS A 89 15.074 -3.345 -1.063 1.00 22.41 N ATOM 0 H HIS A 89 9.642 -1.935 -3.428 1.00 44.30 H new ATOM 0 HA HIS A 89 11.440 -4.081 -3.127 1.00 14.43 H new ATOM 0 HB2 HIS A 89 11.899 -1.589 -2.907 1.00 62.15 H new ATOM 0 HB3 HIS A 89 11.162 -1.657 -1.319 1.00 62.15 H new ATOM 0 HD2 HIS A 89 14.362 -3.113 -3.124 1.00 74.43 H new ATOM 0 HE1 HIS A 89 14.948 -3.297 1.068 1.00 74.25 H new ATOM 0 HE2 HIS A 89 16.034 -3.660 -1.201 1.00 22.41 H new ATOM 1452 N HIS A 90 9.265 -3.727 -0.647 1.00 74.21 N ATOM 1453 CA HIS A 90 8.661 -4.475 0.465 1.00 53.13 C ATOM 1454 C HIS A 90 8.034 -5.794 -0.019 1.00 24.42 C ATOM 1455 O HIS A 90 8.143 -6.821 0.650 1.00 23.25 O ATOM 1456 CB HIS A 90 7.620 -3.622 1.203 1.00 72.33 C ATOM 1457 CG HIS A 90 8.234 -2.616 2.130 1.00 53.13 C ATOM 1458 ND1 HIS A 90 8.359 -1.279 1.827 1.00 61.34 N ATOM 1459 CD2 HIS A 90 8.767 -2.767 3.367 1.00 62.14 C ATOM 1460 CE1 HIS A 90 8.940 -0.653 2.831 1.00 51.32 C ATOM 1461 NE2 HIS A 90 9.199 -1.531 3.777 1.00 33.23 N ATOM 0 H HIS A 90 8.813 -2.837 -0.859 1.00 74.21 H new ATOM 0 HA HIS A 90 9.460 -4.721 1.164 1.00 53.13 H new ATOM 0 HB2 HIS A 90 7.000 -3.103 0.472 1.00 72.33 H new ATOM 0 HB3 HIS A 90 6.960 -4.277 1.772 1.00 72.33 H new ATOM 0 HD1 HIS A 90 8.050 -0.840 0.960 1.00 61.34 H new ATOM 0 HD2 HIS A 90 8.838 -3.688 3.926 1.00 62.14 H new ATOM 0 HE1 HIS A 90 9.166 0.402 2.871 1.00 51.32 H new ATOM 1470 N TYR A 91 7.405 -5.757 -1.191 1.00 12.12 N ATOM 1471 CA TYR A 91 6.774 -6.943 -1.786 1.00 62.30 C ATOM 1472 C TYR A 91 7.815 -8.029 -2.118 1.00 33.31 C ATOM 1473 O TYR A 91 7.665 -9.190 -1.734 1.00 70.11 O ATOM 1474 CB TYR A 91 6.011 -6.535 -3.057 1.00 45.32 C ATOM 1475 CG TYR A 91 5.230 -7.662 -3.713 1.00 42.22 C ATOM 1476 CD1 TYR A 91 5.824 -8.497 -4.654 1.00 73.01 C ATOM 1477 CD2 TYR A 91 3.894 -7.884 -3.396 1.00 30.31 C ATOM 1478 CE1 TYR A 91 5.112 -9.517 -5.255 1.00 31.24 C ATOM 1479 CE2 TYR A 91 3.178 -8.901 -3.995 1.00 35.12 C ATOM 1480 CZ TYR A 91 3.790 -9.713 -4.925 1.00 2.32 C ATOM 1481 OH TYR A 91 3.076 -10.726 -5.527 1.00 0.25 O ATOM 0 H TYR A 91 7.316 -4.912 -1.756 1.00 12.12 H new ATOM 0 HA TYR A 91 6.079 -7.363 -1.059 1.00 62.30 H new ATOM 0 HB2 TYR A 91 5.321 -5.729 -2.808 1.00 45.32 H new ATOM 0 HB3 TYR A 91 6.722 -6.134 -3.779 1.00 45.32 H new ATOM 0 HD1 TYR A 91 6.860 -8.345 -4.919 1.00 73.01 H new ATOM 0 HD2 TYR A 91 3.409 -7.250 -2.669 1.00 30.31 H new ATOM 0 HE1 TYR A 91 5.591 -10.158 -5.981 1.00 31.24 H new ATOM 0 HE2 TYR A 91 2.142 -9.060 -3.736 1.00 35.12 H new ATOM 0 HH TYR A 91 2.621 -11.258 -4.841 1.00 0.25 H new ATOM 1491 N THR A 92 8.869 -7.637 -2.832 1.00 25.41 N ATOM 1492 CA THR A 92 9.947 -8.559 -3.227 1.00 30.04 C ATOM 1493 C THR A 92 10.672 -9.141 -2.005 1.00 14.13 C ATOM 1494 O THR A 92 10.817 -10.361 -1.881 1.00 24.34 O ATOM 1495 CB THR A 92 10.980 -7.858 -4.139 1.00 15.44 C ATOM 1496 OG1 THR A 92 11.502 -6.691 -3.484 1.00 2.21 O ATOM 1497 CG2 THR A 92 10.353 -7.455 -5.470 1.00 71.44 C ATOM 0 H THR A 92 9.005 -6.679 -3.154 1.00 25.41 H new ATOM 0 HA THR A 92 9.473 -9.372 -3.777 1.00 30.04 H new ATOM 0 HB THR A 92 11.789 -8.562 -4.335 1.00 15.44 H new ATOM 0 HG1 THR A 92 10.798 -6.012 -3.415 1.00 2.21 H new ATOM 0 HG21 THR A 92 11.102 -6.964 -6.091 1.00 71.44 H new ATOM 0 HG22 THR A 92 9.983 -8.343 -5.982 1.00 71.44 H new ATOM 0 HG23 THR A 92 9.525 -6.769 -5.289 1.00 71.44 H new ATOM 1505 N THR A 93 11.125 -8.264 -1.106 1.00 63.02 N ATOM 1506 CA THR A 93 11.740 -8.695 0.165 1.00 54.24 C ATOM 1507 C THR A 93 10.736 -9.448 1.054 1.00 23.23 C ATOM 1508 O THR A 93 11.125 -10.149 1.988 1.00 25.05 O ATOM 1509 CB THR A 93 12.301 -7.498 0.975 1.00 4.51 C ATOM 1510 OG1 THR A 93 11.241 -6.583 1.312 1.00 34.23 O ATOM 1511 CG2 THR A 93 13.383 -6.761 0.190 1.00 5.41 C ATOM 0 H THR A 93 11.081 -7.252 -1.228 1.00 63.02 H new ATOM 0 HA THR A 93 12.558 -9.359 -0.112 1.00 54.24 H new ATOM 0 HB THR A 93 12.744 -7.892 1.889 1.00 4.51 H new ATOM 0 HG1 THR A 93 10.872 -6.194 0.492 1.00 34.23 H new ATOM 0 HG21 THR A 93 13.758 -5.927 0.783 1.00 5.41 H new ATOM 0 HG22 THR A 93 14.202 -7.446 -0.032 1.00 5.41 H new ATOM 0 HG23 THR A 93 12.963 -6.384 -0.742 1.00 5.41 H new ATOM 1519 N LYS A 94 9.446 -9.274 0.758 1.00 34.22 N ATOM 1520 CA LYS A 94 8.359 -9.940 1.489 1.00 74.32 C ATOM 1521 C LYS A 94 8.326 -9.503 2.968 1.00 72.53 C ATOM 1522 O LYS A 94 7.863 -10.238 3.842 1.00 60.10 O ATOM 1523 CB LYS A 94 8.496 -11.470 1.370 1.00 63.23 C ATOM 1524 CG LYS A 94 7.223 -12.238 1.718 1.00 64.05 C ATOM 1525 CD LYS A 94 6.075 -11.883 0.773 1.00 34.51 C ATOM 1526 CE LYS A 94 4.793 -12.625 1.131 1.00 42.43 C ATOM 1527 NZ LYS A 94 4.962 -14.097 1.043 1.00 32.31 N ATOM 0 H LYS A 94 9.123 -8.667 0.005 1.00 34.22 H new ATOM 0 HA LYS A 94 7.413 -9.639 1.039 1.00 74.32 H new ATOM 0 HB2 LYS A 94 8.791 -11.720 0.351 1.00 63.23 H new ATOM 0 HB3 LYS A 94 9.300 -11.804 2.026 1.00 63.23 H new ATOM 0 HG2 LYS A 94 7.418 -13.309 1.668 1.00 64.05 H new ATOM 0 HG3 LYS A 94 6.932 -12.015 2.745 1.00 64.05 H new ATOM 0 HD2 LYS A 94 5.895 -10.809 0.809 1.00 34.51 H new ATOM 0 HD3 LYS A 94 6.360 -12.124 -0.251 1.00 34.51 H new ATOM 0 HE2 LYS A 94 4.487 -12.355 2.142 1.00 42.43 H new ATOM 0 HE3 LYS A 94 3.993 -12.311 0.461 1.00 42.43 H new ATOM 0 HZ1 LYS A 94 4.032 -14.558 1.110 1.00 32.31 H new ATOM 0 HZ2 LYS A 94 5.406 -14.342 0.135 1.00 32.31 H new ATOM 0 HZ3 LYS A 94 5.567 -14.424 1.823 1.00 32.31 H new ATOM 1541 N GLN A 95 8.803 -8.292 3.238 1.00 4.31 N ATOM 1542 CA GLN A 95 8.812 -7.746 4.600 1.00 23.05 C ATOM 1543 C GLN A 95 7.534 -6.952 4.902 1.00 63.15 C ATOM 1544 O GLN A 95 6.707 -6.708 4.021 1.00 51.15 O ATOM 1545 CB GLN A 95 10.050 -6.863 4.816 1.00 11.14 C ATOM 1546 CG GLN A 95 11.358 -7.645 4.889 1.00 64.34 C ATOM 1547 CD GLN A 95 11.410 -8.578 6.087 1.00 42.32 C ATOM 1548 OE1 GLN A 95 11.000 -9.731 6.014 1.00 51.22 O ATOM 1549 NE2 GLN A 95 11.921 -8.094 7.201 1.00 21.44 N ATOM 0 H GLN A 95 9.190 -7.665 2.533 1.00 4.31 H new ATOM 0 HA GLN A 95 8.850 -8.588 5.291 1.00 23.05 H new ATOM 0 HB2 GLN A 95 10.115 -6.139 4.004 1.00 11.14 H new ATOM 0 HB3 GLN A 95 9.924 -6.296 5.739 1.00 11.14 H new ATOM 0 HG2 GLN A 95 11.483 -8.225 3.975 1.00 64.34 H new ATOM 0 HG3 GLN A 95 12.193 -6.946 4.940 1.00 64.34 H new ATOM 0 HE21 GLN A 95 12.254 -7.131 7.233 1.00 21.44 H new ATOM 0 HE22 GLN A 95 11.983 -8.683 8.032 1.00 21.44 H new ATOM 1558 N VAL A 96 7.388 -6.547 6.160 1.00 2.51 N ATOM 1559 CA VAL A 96 6.187 -5.848 6.619 1.00 10.53 C ATOM 1560 C VAL A 96 6.179 -4.360 6.224 1.00 20.43 C ATOM 1561 O VAL A 96 7.223 -3.755 5.974 1.00 24.31 O ATOM 1562 CB VAL A 96 6.037 -5.960 8.158 1.00 61.32 C ATOM 1563 CG1 VAL A 96 6.002 -7.426 8.590 1.00 21.23 C ATOM 1564 CG2 VAL A 96 7.161 -5.210 8.876 1.00 74.21 C ATOM 0 H VAL A 96 8.090 -6.691 6.886 1.00 2.51 H new ATOM 0 HA VAL A 96 5.346 -6.335 6.125 1.00 10.53 H new ATOM 0 HB VAL A 96 5.092 -5.496 8.440 1.00 61.32 H new ATOM 0 HG11 VAL A 96 5.896 -7.484 9.673 1.00 21.23 H new ATOM 0 HG12 VAL A 96 5.157 -7.925 8.116 1.00 21.23 H new ATOM 0 HG13 VAL A 96 6.928 -7.916 8.289 1.00 21.23 H new ATOM 0 HG21 VAL A 96 7.031 -5.305 9.954 1.00 74.21 H new ATOM 0 HG22 VAL A 96 8.123 -5.633 8.588 1.00 74.21 H new ATOM 0 HG23 VAL A 96 7.131 -4.156 8.598 1.00 74.21 H new ATOM 1574 N ILE A 97 4.979 -3.784 6.166 1.00 73.31 N ATOM 1575 CA ILE A 97 4.809 -2.354 5.896 1.00 44.23 C ATOM 1576 C ILE A 97 5.288 -1.503 7.083 1.00 75.10 C ATOM 1577 O ILE A 97 6.104 -0.592 6.925 1.00 3.44 O ATOM 1578 CB ILE A 97 3.323 -2.032 5.584 1.00 50.13 C ATOM 1579 CG1 ILE A 97 2.896 -2.716 4.275 1.00 33.03 C ATOM 1580 CG2 ILE A 97 3.083 -0.525 5.506 1.00 51.30 C ATOM 1581 CD1 ILE A 97 3.683 -2.254 3.061 1.00 10.24 C ATOM 0 H ILE A 97 4.103 -4.289 6.303 1.00 73.31 H new ATOM 0 HA ILE A 97 5.418 -2.107 5.027 1.00 44.23 H new ATOM 0 HB ILE A 97 2.715 -2.421 6.401 1.00 50.13 H new ATOM 0 HG12 ILE A 97 3.012 -3.794 4.384 1.00 33.03 H new ATOM 0 HG13 ILE A 97 1.836 -2.525 4.104 1.00 33.03 H new ATOM 0 HG21 ILE A 97 2.032 -0.335 5.286 1.00 51.30 H new ATOM 0 HG22 ILE A 97 3.343 -0.065 6.459 1.00 51.30 H new ATOM 0 HG23 ILE A 97 3.702 -0.098 4.717 1.00 51.30 H new ATOM 0 HD11 ILE A 97 3.327 -2.779 2.175 1.00 10.24 H new ATOM 0 HD12 ILE A 97 3.547 -1.181 2.926 1.00 10.24 H new ATOM 0 HD13 ILE A 97 4.741 -2.470 3.210 1.00 10.24 H new ATOM 1593 N THR A 98 4.764 -1.806 8.268 1.00 13.21 N ATOM 1594 CA THR A 98 5.188 -1.136 9.506 1.00 12.03 C ATOM 1595 C THR A 98 5.418 -2.158 10.627 1.00 32.33 C ATOM 1596 O THR A 98 4.659 -3.121 10.765 1.00 32.21 O ATOM 1597 CB THR A 98 4.147 -0.091 10.003 1.00 41.31 C ATOM 1598 OG1 THR A 98 2.872 -0.708 10.235 1.00 52.12 O ATOM 1599 CG2 THR A 98 3.983 1.053 9.008 1.00 0.14 C ATOM 0 H THR A 98 4.042 -2.513 8.403 1.00 13.21 H new ATOM 0 HA THR A 98 6.117 -0.618 9.267 1.00 12.03 H new ATOM 0 HB THR A 98 4.526 0.315 10.941 1.00 41.31 H new ATOM 0 HG1 THR A 98 2.234 -0.033 10.548 1.00 52.12 H new ATOM 0 HG21 THR A 98 3.249 1.763 9.388 1.00 0.14 H new ATOM 0 HG22 THR A 98 4.940 1.558 8.873 1.00 0.14 H new ATOM 0 HG23 THR A 98 3.643 0.657 8.051 1.00 0.14 H new ATOM 1607 N LYS A 99 6.464 -1.948 11.428 1.00 54.41 N ATOM 1608 CA LYS A 99 6.753 -2.831 12.569 1.00 64.04 C ATOM 1609 C LYS A 99 5.670 -2.697 13.649 1.00 25.11 C ATOM 1610 O LYS A 99 5.485 -3.588 14.480 1.00 1.42 O ATOM 1611 CB LYS A 99 8.141 -2.518 13.159 1.00 40.24 C ATOM 1612 CG LYS A 99 9.321 -2.973 12.287 1.00 63.21 C ATOM 1613 CD LYS A 99 9.818 -4.381 12.644 1.00 65.24 C ATOM 1614 CE LYS A 99 8.799 -5.475 12.329 1.00 13.25 C ATOM 1615 NZ LYS A 99 9.264 -6.813 12.789 1.00 13.24 N ATOM 0 H LYS A 99 7.125 -1.179 11.312 1.00 54.41 H new ATOM 0 HA LYS A 99 6.754 -3.860 12.210 1.00 64.04 H new ATOM 0 HB2 LYS A 99 8.219 -1.443 13.321 1.00 40.24 H new ATOM 0 HB3 LYS A 99 8.222 -2.995 14.136 1.00 40.24 H new ATOM 0 HG2 LYS A 99 9.021 -2.954 11.239 1.00 63.21 H new ATOM 0 HG3 LYS A 99 10.142 -2.264 12.397 1.00 63.21 H new ATOM 0 HD2 LYS A 99 10.740 -4.583 12.098 1.00 65.24 H new ATOM 0 HD3 LYS A 99 10.062 -4.415 13.706 1.00 65.24 H new ATOM 0 HE2 LYS A 99 7.849 -5.236 12.808 1.00 13.25 H new ATOM 0 HE3 LYS A 99 8.616 -5.503 11.255 1.00 13.25 H new ATOM 0 HZ1 LYS A 99 8.546 -7.529 12.557 1.00 13.24 H new ATOM 0 HZ2 LYS A 99 10.157 -7.052 12.313 1.00 13.24 H new ATOM 0 HZ3 LYS A 99 9.414 -6.794 13.818 1.00 13.24 H new ATOM 1629 N LYS A 100 4.962 -1.572 13.621 1.00 72.31 N ATOM 1630 CA LYS A 100 3.834 -1.331 14.528 1.00 54.03 C ATOM 1631 C LYS A 100 2.617 -2.214 14.175 1.00 12.40 C ATOM 1632 O LYS A 100 1.732 -2.434 15.008 1.00 12.31 O ATOM 1633 CB LYS A 100 3.451 0.156 14.479 1.00 72.42 C ATOM 1634 CG LYS A 100 2.318 0.550 15.426 1.00 0.44 C ATOM 1635 CD LYS A 100 2.056 2.058 15.425 1.00 34.52 C ATOM 1636 CE LYS A 100 3.094 2.840 16.235 1.00 22.42 C ATOM 1637 NZ LYS A 100 4.478 2.697 15.710 1.00 4.05 N ATOM 0 H LYS A 100 5.148 -0.804 12.976 1.00 72.31 H new ATOM 0 HA LYS A 100 4.143 -1.598 15.539 1.00 54.03 H new ATOM 0 HB2 LYS A 100 4.331 0.753 14.718 1.00 72.42 H new ATOM 0 HB3 LYS A 100 3.160 0.410 13.460 1.00 72.42 H new ATOM 0 HG2 LYS A 100 1.407 0.025 15.137 1.00 0.44 H new ATOM 0 HG3 LYS A 100 2.564 0.227 16.438 1.00 0.44 H new ATOM 0 HD2 LYS A 100 2.054 2.421 14.397 1.00 34.52 H new ATOM 0 HD3 LYS A 100 1.064 2.250 15.833 1.00 34.52 H new ATOM 0 HE2 LYS A 100 2.822 3.895 16.239 1.00 22.42 H new ATOM 0 HE3 LYS A 100 3.068 2.500 17.270 1.00 22.42 H new ATOM 0 HZ1 LYS A 100 5.033 3.540 15.961 1.00 4.05 H new ATOM 0 HZ2 LYS A 100 4.922 1.853 16.126 1.00 4.05 H new ATOM 0 HZ3 LYS A 100 4.448 2.598 14.675 1.00 4.05 H new ATOM 1651 N SER A 101 2.572 -2.717 12.937 1.00 11.22 N ATOM 1652 CA SER A 101 1.466 -3.586 12.490 1.00 24.41 C ATOM 1653 C SER A 101 1.931 -5.031 12.275 1.00 21.13 C ATOM 1654 O SER A 101 1.464 -5.953 12.947 1.00 54.52 O ATOM 1655 CB SER A 101 0.849 -3.062 11.187 1.00 40.23 C ATOM 1656 OG SER A 101 1.756 -3.170 10.097 1.00 61.11 O ATOM 0 H SER A 101 3.282 -2.542 12.226 1.00 11.22 H new ATOM 0 HA SER A 101 0.717 -3.572 13.281 1.00 24.41 H new ATOM 0 HB2 SER A 101 -0.059 -3.622 10.963 1.00 40.23 H new ATOM 0 HB3 SER A 101 0.557 -2.020 11.316 1.00 40.23 H new ATOM 0 HG SER A 101 2.291 -2.351 10.034 1.00 61.11 H new ATOM 1662 N GLY A 102 2.853 -5.220 11.335 1.00 23.22 N ATOM 1663 CA GLY A 102 3.321 -6.559 10.985 1.00 33.15 C ATOM 1664 C GLY A 102 2.629 -7.130 9.747 1.00 54.33 C ATOM 1665 O GLY A 102 2.626 -8.343 9.531 1.00 22.10 O ATOM 0 H GLY A 102 3.290 -4.467 10.804 1.00 23.22 H new ATOM 0 HA2 GLY A 102 4.397 -6.528 10.811 1.00 33.15 H new ATOM 0 HA3 GLY A 102 3.154 -7.228 11.829 1.00 33.15 H new ATOM 1669 N VAL A 103 2.054 -6.253 8.923 1.00 70.04 N ATOM 1670 CA VAL A 103 1.340 -6.670 7.708 1.00 10.13 C ATOM 1671 C VAL A 103 2.296 -6.810 6.507 1.00 63.42 C ATOM 1672 O VAL A 103 3.066 -5.897 6.205 1.00 53.31 O ATOM 1673 CB VAL A 103 0.219 -5.663 7.351 1.00 4.12 C ATOM 1674 CG1 VAL A 103 -0.569 -6.138 6.130 1.00 52.33 C ATOM 1675 CG2 VAL A 103 -0.706 -5.438 8.548 1.00 75.31 C ATOM 0 H VAL A 103 2.067 -5.244 9.073 1.00 70.04 H new ATOM 0 HA VAL A 103 0.899 -7.644 7.919 1.00 10.13 H new ATOM 0 HB VAL A 103 0.683 -4.709 7.100 1.00 4.12 H new ATOM 0 HG11 VAL A 103 -1.351 -5.415 5.898 1.00 52.33 H new ATOM 0 HG12 VAL A 103 0.103 -6.232 5.277 1.00 52.33 H new ATOM 0 HG13 VAL A 103 -1.022 -7.106 6.343 1.00 52.33 H new ATOM 0 HG21 VAL A 103 -1.487 -4.727 8.276 1.00 75.31 H new ATOM 0 HG22 VAL A 103 -1.162 -6.384 8.838 1.00 75.31 H new ATOM 0 HG23 VAL A 103 -0.130 -5.042 9.384 1.00 75.31 H new ATOM 1685 N VAL A 104 2.230 -7.955 5.823 1.00 1.53 N ATOM 1686 CA VAL A 104 3.115 -8.249 4.681 1.00 22.42 C ATOM 1687 C VAL A 104 2.362 -8.151 3.337 1.00 11.13 C ATOM 1688 O VAL A 104 1.145 -8.343 3.280 1.00 54.04 O ATOM 1689 CB VAL A 104 3.732 -9.669 4.818 1.00 43.20 C ATOM 1690 CG1 VAL A 104 4.708 -9.965 3.681 1.00 42.20 C ATOM 1691 CG2 VAL A 104 4.417 -9.833 6.173 1.00 15.43 C ATOM 0 H VAL A 104 1.569 -8.702 6.038 1.00 1.53 H new ATOM 0 HA VAL A 104 3.909 -7.502 4.690 1.00 22.42 H new ATOM 0 HB VAL A 104 2.918 -10.391 4.753 1.00 43.20 H new ATOM 0 HG11 VAL A 104 5.121 -10.966 3.807 1.00 42.20 H new ATOM 0 HG12 VAL A 104 4.184 -9.907 2.727 1.00 42.20 H new ATOM 0 HG13 VAL A 104 5.517 -9.234 3.696 1.00 42.20 H new ATOM 0 HG21 VAL A 104 4.842 -10.834 6.247 1.00 15.43 H new ATOM 0 HG22 VAL A 104 5.212 -9.093 6.271 1.00 15.43 H new ATOM 0 HG23 VAL A 104 3.687 -9.689 6.970 1.00 15.43 H new ATOM 1701 N LEU A 105 3.092 -7.859 2.257 1.00 64.01 N ATOM 1702 CA LEU A 105 2.489 -7.709 0.923 1.00 24.11 C ATOM 1703 C LEU A 105 2.566 -9.007 0.097 1.00 22.15 C ATOM 1704 O LEU A 105 3.653 -9.502 -0.208 1.00 52.54 O ATOM 1705 CB LEU A 105 3.190 -6.580 0.153 1.00 63.12 C ATOM 1706 CG LEU A 105 3.138 -5.194 0.813 1.00 33.24 C ATOM 1707 CD1 LEU A 105 3.844 -4.156 -0.060 1.00 24.50 C ATOM 1708 CD2 LEU A 105 1.694 -4.779 1.092 1.00 34.34 C ATOM 0 H LEU A 105 4.102 -7.721 2.277 1.00 64.01 H new ATOM 0 HA LEU A 105 1.437 -7.468 1.074 1.00 24.11 H new ATOM 0 HB2 LEU A 105 4.235 -6.856 0.011 1.00 63.12 H new ATOM 0 HB3 LEU A 105 2.742 -6.508 -0.838 1.00 63.12 H new ATOM 0 HG LEU A 105 3.662 -5.250 1.767 1.00 33.24 H new ATOM 0 HD11 LEU A 105 3.797 -3.181 0.424 1.00 24.50 H new ATOM 0 HD12 LEU A 105 4.887 -4.443 -0.196 1.00 24.50 H new ATOM 0 HD13 LEU A 105 3.353 -4.103 -1.032 1.00 24.50 H new ATOM 0 HD21 LEU A 105 1.682 -3.794 1.559 1.00 34.34 H new ATOM 0 HD22 LEU A 105 1.138 -4.742 0.155 1.00 34.34 H new ATOM 0 HD23 LEU A 105 1.230 -5.504 1.761 1.00 34.34 H new ATOM 1720 N LEU A 106 1.403 -9.556 -0.257 1.00 1.40 N ATOM 1721 CA LEU A 106 1.324 -10.706 -1.169 1.00 20.14 C ATOM 1722 C LEU A 106 0.103 -10.580 -2.096 1.00 64.12 C ATOM 1723 O LEU A 106 -0.828 -9.842 -1.790 1.00 13.44 O ATOM 1724 CB LEU A 106 1.291 -12.046 -0.402 1.00 14.13 C ATOM 1725 CG LEU A 106 0.188 -12.209 0.663 1.00 1.44 C ATOM 1726 CD1 LEU A 106 0.017 -13.682 1.037 1.00 72.22 C ATOM 1727 CD2 LEU A 106 0.508 -11.381 1.910 1.00 41.32 C ATOM 0 H LEU A 106 0.497 -9.223 0.074 1.00 1.40 H new ATOM 0 HA LEU A 106 2.227 -10.702 -1.779 1.00 20.14 H new ATOM 0 HB2 LEU A 106 1.183 -12.851 -1.129 1.00 14.13 H new ATOM 0 HB3 LEU A 106 2.257 -12.183 0.085 1.00 14.13 H new ATOM 0 HG LEU A 106 -0.748 -11.845 0.239 1.00 1.44 H new ATOM 0 HD11 LEU A 106 -0.766 -13.778 1.790 1.00 72.22 H new ATOM 0 HD12 LEU A 106 -0.260 -14.253 0.151 1.00 72.22 H new ATOM 0 HD13 LEU A 106 0.955 -14.067 1.438 1.00 72.22 H new ATOM 0 HD21 LEU A 106 -0.284 -11.512 2.647 1.00 41.32 H new ATOM 0 HD22 LEU A 106 1.456 -11.713 2.334 1.00 41.32 H new ATOM 0 HD23 LEU A 106 0.580 -10.328 1.639 1.00 41.32 H new ATOM 1739 N ASN A 107 0.133 -11.299 -3.227 1.00 71.33 N ATOM 1740 CA ASN A 107 -0.928 -11.260 -4.267 1.00 74.25 C ATOM 1741 C ASN A 107 -1.650 -9.894 -4.394 1.00 53.31 C ATOM 1742 O ASN A 107 -2.707 -9.675 -3.802 1.00 73.15 O ATOM 1743 CB ASN A 107 -1.939 -12.425 -4.110 1.00 42.43 C ATOM 1744 CG ASN A 107 -2.517 -12.633 -2.708 1.00 74.53 C ATOM 1745 OD1 ASN A 107 -2.813 -13.758 -2.320 1.00 24.33 O ATOM 1746 ND2 ASN A 107 -2.732 -11.580 -1.950 1.00 61.42 N ATOM 0 H ASN A 107 0.898 -11.933 -3.456 1.00 71.33 H new ATOM 0 HA ASN A 107 -0.398 -11.396 -5.210 1.00 74.25 H new ATOM 0 HB2 ASN A 107 -2.766 -12.257 -4.800 1.00 42.43 H new ATOM 0 HB3 ASN A 107 -1.449 -13.348 -4.419 1.00 42.43 H new ATOM 0 HD21 ASN A 107 -3.150 -11.693 -1.026 1.00 61.42 H new ATOM 0 HD22 ASN A 107 -2.481 -10.650 -2.286 1.00 61.42 H new ATOM 1753 N PRO A 108 -1.084 -8.960 -5.188 1.00 35.42 N ATOM 1754 CA PRO A 108 -1.656 -7.612 -5.369 1.00 40.11 C ATOM 1755 C PRO A 108 -2.993 -7.628 -6.128 1.00 34.20 C ATOM 1756 O PRO A 108 -3.268 -8.545 -6.906 1.00 41.13 O ATOM 1757 CB PRO A 108 -0.585 -6.863 -6.192 1.00 43.44 C ATOM 1758 CG PRO A 108 0.636 -7.726 -6.142 1.00 63.11 C ATOM 1759 CD PRO A 108 0.143 -9.136 -5.977 1.00 50.23 C ATOM 0 HA PRO A 108 -1.881 -7.146 -4.410 1.00 40.11 H new ATOM 0 HB2 PRO A 108 -0.916 -6.711 -7.219 1.00 43.44 H new ATOM 0 HB3 PRO A 108 -0.386 -5.877 -5.772 1.00 43.44 H new ATOM 0 HG2 PRO A 108 1.224 -7.623 -7.054 1.00 63.11 H new ATOM 0 HG3 PRO A 108 1.282 -7.439 -5.312 1.00 63.11 H new ATOM 0 HD2 PRO A 108 -0.058 -9.609 -6.938 1.00 50.23 H new ATOM 0 HD3 PRO A 108 0.871 -9.761 -5.460 1.00 50.23 H new ATOM 1767 N ILE A 109 -3.824 -6.611 -5.898 1.00 34.54 N ATOM 1768 CA ILE A 109 -5.091 -6.471 -6.620 1.00 4.40 C ATOM 1769 C ILE A 109 -4.903 -5.613 -7.884 1.00 1.32 C ATOM 1770 O ILE A 109 -4.782 -4.389 -7.801 1.00 24.21 O ATOM 1771 CB ILE A 109 -6.184 -5.848 -5.717 1.00 35.34 C ATOM 1772 CG1 ILE A 109 -6.342 -6.685 -4.436 1.00 11.22 C ATOM 1773 CG2 ILE A 109 -7.513 -5.740 -6.469 1.00 12.42 C ATOM 1774 CD1 ILE A 109 -6.668 -8.144 -4.688 1.00 54.11 C ATOM 0 H ILE A 109 -3.644 -5.872 -5.218 1.00 34.54 H new ATOM 0 HA ILE A 109 -5.416 -7.469 -6.914 1.00 4.40 H new ATOM 0 HB ILE A 109 -5.879 -4.839 -5.439 1.00 35.34 H new ATOM 0 HG12 ILE A 109 -5.419 -6.624 -3.859 1.00 11.22 H new ATOM 0 HG13 ILE A 109 -7.131 -6.248 -3.824 1.00 11.22 H new ATOM 0 HG21 ILE A 109 -8.266 -5.300 -5.815 1.00 12.42 H new ATOM 0 HG22 ILE A 109 -7.383 -5.110 -7.349 1.00 12.42 H new ATOM 0 HG23 ILE A 109 -7.837 -6.733 -6.779 1.00 12.42 H new ATOM 0 HD11 ILE A 109 -6.763 -8.665 -3.735 1.00 54.11 H new ATOM 0 HD12 ILE A 109 -7.607 -8.217 -5.237 1.00 54.11 H new ATOM 0 HD13 ILE A 109 -5.869 -8.600 -5.273 1.00 54.11 H new ATOM 1786 N PRO A 110 -4.886 -6.247 -9.073 1.00 31.05 N ATOM 1787 CA PRO A 110 -4.528 -5.574 -10.330 1.00 33.21 C ATOM 1788 C PRO A 110 -5.684 -4.808 -11.006 1.00 2.21 C ATOM 1789 O PRO A 110 -6.795 -4.711 -10.477 1.00 15.23 O ATOM 1790 CB PRO A 110 -4.078 -6.751 -11.200 1.00 4.20 C ATOM 1791 CG PRO A 110 -4.945 -7.885 -10.765 1.00 2.53 C ATOM 1792 CD PRO A 110 -5.209 -7.674 -9.291 1.00 75.14 C ATOM 0 HA PRO A 110 -3.782 -4.795 -10.169 1.00 33.21 H new ATOM 0 HB2 PRO A 110 -4.209 -6.535 -12.260 1.00 4.20 H new ATOM 0 HB3 PRO A 110 -3.022 -6.977 -11.049 1.00 4.20 H new ATOM 0 HG2 PRO A 110 -5.878 -7.900 -11.329 1.00 2.53 H new ATOM 0 HG3 PRO A 110 -4.451 -8.841 -10.939 1.00 2.53 H new ATOM 0 HD2 PRO A 110 -6.246 -7.893 -9.035 1.00 75.14 H new ATOM 0 HD3 PRO A 110 -4.585 -8.323 -8.676 1.00 75.14 H new