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 180:sc= 0 USER MOD Set 1.2: A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 54 SER OG : rot 180:sc= -0.308 USER MOD Set 2.2: A 63 HIS : no HD1:sc= 0 K(o=-0.31,f=0.88) USER MOD Set 3.1: A 36 GLN : amide:sc= -1.49! K(o=-0.95!,f=0.54) USER MOD Set 3.2: A 57 SER OG : rot -82:sc= 0.538 USER MOD Set 4.1: A 35 LYS NZ :NH3+ -144:sc= 0.0946 (180deg=0) USER MOD Set 4.2: A 107 ASN : amide:sc= -0.384 X(o=-0.29,f=-0.44) USER MOD Single : A 17 GLN : amide:sc= 0.156 K(o=0.16,f=-1.4!) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0562 USER MOD Single : A 21 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-3.7!) USER MOD Single : A 30 GLN : amide:sc= -0.518! C(o=-0.52!,f=-5.7!) USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= -0.0728 (180deg=-0.401) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot -124:sc= 0.602 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 67 GLN : amide:sc= -0.988 X(o=-0.99,f=-1.4) USER MOD Single : A 72 MET CE :methyl -165:sc= -0.103 (180deg=-0.483) 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 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.18) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 90 HIS : no HE2:sc= 0.726 K(o=0.73,f=-2.5!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -75:sc= 1.07 USER MOD Single : A 93 THR OG1 : rot -73:sc= 1.19 USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= -0.0212 (180deg=-0.224) USER MOD Single : A 95 GLN : amide:sc= -0.071 X(o=-0.071,f=-0.24) USER MOD Single : A 98 THR OG1 : rot -101:sc= 1.01 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= -1.15 USER MOD ----------------------------------------------------------------- ATOM 203 N PRO A 13 4.290 3.669 -15.370 1.00 3.02 N ATOM 204 CA PRO A 13 3.889 4.845 -14.572 1.00 4.42 C ATOM 205 C PRO A 13 3.021 4.461 -13.355 1.00 24.34 C ATOM 206 O PRO A 13 2.404 3.392 -13.336 1.00 5.24 O ATOM 207 CB PRO A 13 3.081 5.691 -15.577 1.00 11.44 C ATOM 208 CG PRO A 13 2.617 4.712 -16.604 1.00 52.14 C ATOM 209 CD PRO A 13 3.727 3.714 -16.734 1.00 24.12 C ATOM 0 HA PRO A 13 4.746 5.368 -14.147 1.00 4.42 H new ATOM 0 HB2 PRO A 13 2.240 6.186 -15.092 1.00 11.44 H new ATOM 0 HB3 PRO A 13 3.697 6.472 -16.023 1.00 11.44 H new ATOM 0 HG2 PRO A 13 1.689 4.230 -16.296 1.00 52.14 H new ATOM 0 HG3 PRO A 13 2.419 5.205 -17.556 1.00 52.14 H new ATOM 0 HD2 PRO A 13 3.358 2.739 -17.051 1.00 24.12 H new ATOM 0 HD3 PRO A 13 4.469 4.028 -17.468 1.00 24.12 H new ATOM 217 N LEU A 14 2.968 5.339 -12.348 1.00 21.50 N ATOM 218 CA LEU A 14 2.228 5.058 -11.106 1.00 1.24 C ATOM 219 C LEU A 14 0.750 4.719 -11.382 1.00 33.23 C ATOM 220 O LEU A 14 0.183 3.829 -10.752 1.00 73.04 O ATOM 221 CB LEU A 14 2.323 6.253 -10.144 1.00 63.11 C ATOM 222 CG LEU A 14 1.669 6.051 -8.763 1.00 30.41 C ATOM 223 CD1 LEU A 14 2.360 4.927 -7.995 1.00 13.55 C ATOM 224 CD2 LEU A 14 1.690 7.351 -7.965 1.00 55.12 C ATOM 0 H LEU A 14 3.427 6.250 -12.365 1.00 21.50 H new ATOM 0 HA LEU A 14 2.688 4.185 -10.643 1.00 1.24 H new ATOM 0 HB2 LEU A 14 3.376 6.494 -9.996 1.00 63.11 H new ATOM 0 HB3 LEU A 14 1.862 7.118 -10.621 1.00 63.11 H new ATOM 0 HG LEU A 14 0.629 5.763 -8.915 1.00 30.41 H new ATOM 0 HD11 LEU A 14 1.882 4.803 -7.024 1.00 13.55 H new ATOM 0 HD12 LEU A 14 2.281 3.998 -8.560 1.00 13.55 H new ATOM 0 HD13 LEU A 14 3.411 5.177 -7.852 1.00 13.55 H new ATOM 0 HD21 LEU A 14 1.224 7.189 -6.993 1.00 55.12 H new ATOM 0 HD22 LEU A 14 2.721 7.675 -7.824 1.00 55.12 H new ATOM 0 HD23 LEU A 14 1.140 8.120 -8.507 1.00 55.12 H new ATOM 236 N ALA A 15 0.136 5.424 -12.332 1.00 3.22 N ATOM 237 CA ALA A 15 -1.262 5.159 -12.714 1.00 72.31 C ATOM 238 C ALA A 15 -1.424 3.775 -13.371 1.00 4.42 C ATOM 239 O ALA A 15 -2.505 3.176 -13.339 1.00 5.55 O ATOM 240 CB ALA A 15 -1.770 6.256 -13.646 1.00 24.21 C ATOM 0 H ALA A 15 0.578 6.182 -12.853 1.00 3.22 H new ATOM 0 HA ALA A 15 -1.860 5.159 -11.803 1.00 72.31 H new ATOM 0 HB1 ALA A 15 -2.804 6.049 -13.922 1.00 24.21 H new ATOM 0 HB2 ALA A 15 -1.715 7.219 -13.138 1.00 24.21 H new ATOM 0 HB3 ALA A 15 -1.154 6.284 -14.545 1.00 24.21 H new ATOM 246 N GLU A 16 -0.347 3.270 -13.967 1.00 73.15 N ATOM 247 CA GLU A 16 -0.359 1.939 -14.581 1.00 4.21 C ATOM 248 C GLU A 16 -0.010 0.843 -13.576 1.00 31.00 C ATOM 249 O GLU A 16 -0.375 -0.317 -13.779 1.00 44.44 O ATOM 250 CB GLU A 16 0.594 1.872 -15.782 1.00 70.41 C ATOM 251 CG GLU A 16 -0.116 1.998 -17.122 1.00 72.51 C ATOM 252 CD GLU A 16 -1.164 0.909 -17.303 1.00 74.31 C ATOM 253 OE1 GLU A 16 -0.778 -0.259 -17.522 1.00 32.44 O ATOM 254 OE2 GLU A 16 -2.375 1.204 -17.179 1.00 42.03 O ATOM 0 H GLU A 16 0.545 3.759 -14.039 1.00 73.15 H new ATOM 0 HA GLU A 16 -1.377 1.765 -14.930 1.00 4.21 H new ATOM 0 HB2 GLU A 16 1.334 2.668 -15.695 1.00 70.41 H new ATOM 0 HB3 GLU A 16 1.137 0.927 -15.754 1.00 70.41 H new ATOM 0 HG2 GLU A 16 -0.591 2.977 -17.193 1.00 72.51 H new ATOM 0 HG3 GLU A 16 0.614 1.939 -17.929 1.00 72.51 H new ATOM 261 N GLN A 17 0.710 1.205 -12.516 1.00 31.34 N ATOM 262 CA GLN A 17 0.995 0.270 -11.424 1.00 24.22 C ATOM 263 C GLN A 17 -0.311 -0.362 -10.924 1.00 71.32 C ATOM 264 O GLN A 17 -1.103 0.277 -10.239 1.00 15.24 O ATOM 265 CB GLN A 17 1.721 0.992 -10.281 1.00 15.25 C ATOM 266 CG GLN A 17 3.108 1.507 -10.658 1.00 2.34 C ATOM 267 CD GLN A 17 4.092 0.391 -10.981 1.00 12.13 C ATOM 268 OE1 GLN A 17 4.003 -0.707 -10.442 1.00 14.20 O ATOM 269 NE2 GLN A 17 5.035 0.662 -11.862 1.00 11.43 N ATOM 0 H GLN A 17 1.107 2.136 -12.388 1.00 31.34 H new ATOM 0 HA GLN A 17 1.646 -0.522 -11.794 1.00 24.22 H new ATOM 0 HB2 GLN A 17 1.110 1.831 -9.948 1.00 15.25 H new ATOM 0 HB3 GLN A 17 1.814 0.311 -9.435 1.00 15.25 H new ATOM 0 HG2 GLN A 17 3.022 2.168 -11.520 1.00 2.34 H new ATOM 0 HG3 GLN A 17 3.503 2.105 -9.837 1.00 2.34 H new ATOM 0 HE21 GLN A 17 5.081 1.586 -12.292 1.00 11.43 H new ATOM 0 HE22 GLN A 17 5.718 -0.052 -12.113 1.00 11.43 H new ATOM 278 N ASP A 18 -0.530 -1.615 -11.301 1.00 4.33 N ATOM 279 CA ASP A 18 -1.812 -2.290 -11.097 1.00 11.41 C ATOM 280 C ASP A 18 -2.253 -2.347 -9.619 1.00 41.30 C ATOM 281 O ASP A 18 -3.448 -2.409 -9.327 1.00 41.12 O ATOM 282 CB ASP A 18 -1.739 -3.685 -11.723 1.00 54.43 C ATOM 283 CG ASP A 18 -1.488 -3.604 -13.226 1.00 22.03 C ATOM 284 OD1 ASP A 18 -0.316 -3.413 -13.634 1.00 61.45 O ATOM 285 OD2 ASP A 18 -2.462 -3.702 -14.001 1.00 23.41 O ATOM 0 H ASP A 18 0.174 -2.195 -11.757 1.00 4.33 H new ATOM 0 HA ASP A 18 -2.584 -1.701 -11.592 1.00 11.41 H new ATOM 0 HB2 ASP A 18 -0.942 -4.258 -11.249 1.00 54.43 H new ATOM 0 HB3 ASP A 18 -2.670 -4.220 -11.536 1.00 54.43 H new ATOM 290 N TRP A 19 -1.300 -2.302 -8.696 1.00 3.20 N ATOM 291 CA TRP A 19 -1.613 -2.258 -7.259 1.00 34.22 C ATOM 292 C TRP A 19 -2.171 -0.881 -6.838 1.00 10.24 C ATOM 293 O TRP A 19 -2.824 -0.756 -5.801 1.00 12.12 O ATOM 294 CB TRP A 19 -0.368 -2.623 -6.433 1.00 33.23 C ATOM 295 CG TRP A 19 0.880 -1.937 -6.906 1.00 23.05 C ATOM 296 CD1 TRP A 19 1.799 -2.428 -7.791 1.00 11.11 C ATOM 297 CD2 TRP A 19 1.339 -0.634 -6.532 1.00 44.23 C ATOM 298 NE1 TRP A 19 2.794 -1.508 -7.994 1.00 0.24 N ATOM 299 CE2 TRP A 19 2.535 -0.399 -7.231 1.00 53.41 C ATOM 300 CE3 TRP A 19 0.856 0.358 -5.675 1.00 41.31 C ATOM 301 CZ2 TRP A 19 3.251 0.784 -7.104 1.00 40.44 C ATOM 302 CZ3 TRP A 19 1.570 1.535 -5.550 1.00 70.14 C ATOM 303 CH2 TRP A 19 2.756 1.739 -6.262 1.00 54.12 C ATOM 0 H TRP A 19 -0.303 -2.295 -8.909 1.00 3.20 H new ATOM 0 HA TRP A 19 -2.392 -2.994 -7.062 1.00 34.22 H new ATOM 0 HB2 TRP A 19 -0.544 -2.363 -5.389 1.00 33.23 H new ATOM 0 HB3 TRP A 19 -0.218 -3.702 -6.472 1.00 33.23 H new ATOM 0 HD1 TRP A 19 1.748 -3.399 -8.261 1.00 11.11 H new ATOM 0 HE1 TRP A 19 3.596 -1.629 -8.612 1.00 0.24 H new ATOM 0 HE3 TRP A 19 -0.058 0.208 -5.120 1.00 41.31 H new ATOM 0 HZ2 TRP A 19 4.168 0.944 -7.652 1.00 40.44 H new ATOM 0 HZ3 TRP A 19 1.206 2.310 -4.892 1.00 70.14 H new ATOM 0 HH2 TRP A 19 3.291 2.670 -6.144 1.00 54.12 H new ATOM 314 N TYR A 20 -1.920 0.144 -7.653 1.00 71.54 N ATOM 315 CA TYR A 20 -2.461 1.491 -7.419 1.00 74.04 C ATOM 316 C TYR A 20 -3.834 1.642 -8.100 1.00 23.44 C ATOM 317 O TYR A 20 -3.947 1.536 -9.319 1.00 4.43 O ATOM 318 CB TYR A 20 -1.485 2.560 -7.942 1.00 62.32 C ATOM 319 CG TYR A 20 -2.042 3.974 -7.906 1.00 44.03 C ATOM 320 CD1 TYR A 20 -2.067 4.708 -6.725 1.00 31.02 C ATOM 321 CD2 TYR A 20 -2.556 4.569 -9.056 1.00 3.13 C ATOM 322 CE1 TYR A 20 -2.582 5.990 -6.693 1.00 23.23 C ATOM 323 CE2 TYR A 20 -3.074 5.848 -9.029 1.00 44.33 C ATOM 324 CZ TYR A 20 -3.086 6.555 -7.846 1.00 52.05 C ATOM 325 OH TYR A 20 -3.613 7.825 -7.817 1.00 52.34 O ATOM 0 H TYR A 20 -1.341 0.069 -8.489 1.00 71.54 H new ATOM 0 HA TYR A 20 -2.587 1.632 -6.346 1.00 74.04 H new ATOM 0 HB2 TYR A 20 -0.571 2.525 -7.349 1.00 62.32 H new ATOM 0 HB3 TYR A 20 -1.209 2.315 -8.968 1.00 62.32 H new ATOM 0 HD1 TYR A 20 -1.678 4.269 -5.818 1.00 31.02 H new ATOM 0 HD2 TYR A 20 -2.549 4.019 -9.986 1.00 3.13 H new ATOM 0 HE1 TYR A 20 -2.590 6.548 -5.768 1.00 23.23 H new ATOM 0 HE2 TYR A 20 -3.468 6.293 -9.931 1.00 44.33 H new ATOM 0 HH TYR A 20 -3.923 8.071 -8.714 1.00 52.34 H new ATOM 335 N HIS A 21 -4.878 1.901 -7.315 1.00 23.41 N ATOM 336 CA HIS A 21 -6.243 1.952 -7.853 1.00 14.43 C ATOM 337 C HIS A 21 -6.781 3.389 -7.986 1.00 15.22 C ATOM 338 O HIS A 21 -7.618 3.817 -7.198 1.00 61.22 O ATOM 339 CB HIS A 21 -7.193 1.105 -6.996 1.00 64.43 C ATOM 340 CG HIS A 21 -6.910 -0.364 -7.060 1.00 24.52 C ATOM 341 ND1 HIS A 21 -7.896 -1.317 -7.194 1.00 54.35 N ATOM 342 CD2 HIS A 21 -5.746 -1.046 -6.990 1.00 34.34 C ATOM 343 CE1 HIS A 21 -7.350 -2.515 -7.201 1.00 43.41 C ATOM 344 NE2 HIS A 21 -6.046 -2.379 -7.081 1.00 24.12 N ATOM 0 H HIS A 21 -4.810 2.078 -6.313 1.00 23.41 H new ATOM 0 HA HIS A 21 -6.197 1.536 -8.860 1.00 14.43 H new ATOM 0 HB2 HIS A 21 -7.125 1.435 -5.959 1.00 64.43 H new ATOM 0 HB3 HIS A 21 -8.218 1.283 -7.321 1.00 64.43 H new ATOM 0 HD2 HIS A 21 -4.760 -0.619 -6.882 1.00 34.34 H new ATOM 0 HE1 HIS A 21 -7.882 -3.451 -7.290 1.00 43.41 H new ATOM 0 HE2 HIS A 21 -5.370 -3.142 -7.059 1.00 24.12 H new ATOM 353 N GLY A 22 -6.214 4.136 -8.937 1.00 15.22 N ATOM 354 CA GLY A 22 -6.805 5.389 -9.444 1.00 61.12 C ATOM 355 C GLY A 22 -7.544 6.258 -8.421 1.00 74.45 C ATOM 356 O GLY A 22 -8.654 6.726 -8.694 1.00 4.43 O ATOM 0 H GLY A 22 -5.329 3.893 -9.382 1.00 15.22 H new ATOM 0 HA2 GLY A 22 -6.009 5.987 -9.888 1.00 61.12 H new ATOM 0 HA3 GLY A 22 -7.500 5.139 -10.245 1.00 61.12 H new ATOM 360 N ALA A 23 -6.940 6.472 -7.255 1.00 23.13 N ATOM 361 CA ALA A 23 -7.492 7.385 -6.240 1.00 35.00 C ATOM 362 C ALA A 23 -8.923 7.017 -5.792 1.00 25.43 C ATOM 363 O ALA A 23 -9.667 7.882 -5.335 1.00 50.33 O ATOM 364 CB ALA A 23 -7.457 8.820 -6.768 1.00 31.23 C ATOM 0 H ALA A 23 -6.064 6.026 -6.982 1.00 23.13 H new ATOM 0 HA ALA A 23 -6.863 7.290 -5.355 1.00 35.00 H new ATOM 0 HB1 ALA A 23 -7.866 9.495 -6.016 1.00 31.23 H new ATOM 0 HB2 ALA A 23 -6.427 9.102 -6.987 1.00 31.23 H new ATOM 0 HB3 ALA A 23 -8.053 8.887 -7.678 1.00 31.23 H new ATOM 370 N ILE A 24 -9.300 5.740 -5.897 1.00 71.23 N ATOM 371 CA ILE A 24 -10.651 5.297 -5.504 1.00 2.41 C ATOM 372 C ILE A 24 -10.939 5.560 -4.008 1.00 55.01 C ATOM 373 O ILE A 24 -10.014 5.699 -3.203 1.00 30.54 O ATOM 374 CB ILE A 24 -10.869 3.786 -5.799 1.00 72.13 C ATOM 375 CG1 ILE A 24 -9.953 2.916 -4.920 1.00 51.42 C ATOM 376 CG2 ILE A 24 -10.637 3.494 -7.280 1.00 74.51 C ATOM 377 CD1 ILE A 24 -10.192 1.429 -5.077 1.00 52.11 C ATOM 0 H ILE A 24 -8.698 4.995 -6.248 1.00 71.23 H new ATOM 0 HA ILE A 24 -11.344 5.886 -6.105 1.00 2.41 H new ATOM 0 HB ILE A 24 -11.902 3.535 -5.556 1.00 72.13 H new ATOM 0 HG12 ILE A 24 -8.914 3.136 -5.165 1.00 51.42 H new ATOM 0 HG13 ILE A 24 -10.099 3.190 -3.875 1.00 51.42 H new ATOM 0 HG21 ILE A 24 -10.793 2.432 -7.470 1.00 74.51 H new ATOM 0 HG22 ILE A 24 -11.336 4.077 -7.880 1.00 74.51 H new ATOM 0 HG23 ILE A 24 -9.616 3.764 -7.548 1.00 74.51 H new ATOM 0 HD11 ILE A 24 -9.510 0.880 -4.427 1.00 52.11 H new ATOM 0 HD12 ILE A 24 -11.221 1.195 -4.804 1.00 52.11 H new ATOM 0 HD13 ILE A 24 -10.017 1.140 -6.113 1.00 52.11 H new ATOM 389 N PRO A 25 -12.228 5.650 -3.618 1.00 52.34 N ATOM 390 CA PRO A 25 -12.625 5.832 -2.208 1.00 5.14 C ATOM 391 C PRO A 25 -12.253 4.633 -1.310 1.00 41.33 C ATOM 392 O PRO A 25 -12.039 3.516 -1.791 1.00 42.33 O ATOM 393 CB PRO A 25 -14.158 5.990 -2.277 1.00 30.11 C ATOM 394 CG PRO A 25 -14.451 6.317 -3.705 1.00 33.33 C ATOM 395 CD PRO A 25 -13.399 5.612 -4.512 1.00 70.34 C ATOM 0 HA PRO A 25 -12.109 6.682 -1.762 1.00 5.14 H new ATOM 0 HB2 PRO A 25 -14.663 5.074 -1.971 1.00 30.11 H new ATOM 0 HB3 PRO A 25 -14.503 6.782 -1.612 1.00 30.11 H new ATOM 0 HG2 PRO A 25 -15.449 5.981 -3.986 1.00 33.33 H new ATOM 0 HG3 PRO A 25 -14.417 7.393 -3.874 1.00 33.33 H new ATOM 0 HD2 PRO A 25 -13.691 4.590 -4.754 1.00 70.34 H new ATOM 0 HD3 PRO A 25 -13.204 6.120 -5.456 1.00 70.34 H new ATOM 403 N ARG A 26 -12.199 4.874 0.002 1.00 35.34 N ATOM 404 CA ARG A 26 -11.889 3.824 0.985 1.00 73.40 C ATOM 405 C ARG A 26 -12.861 2.638 0.866 1.00 44.11 C ATOM 406 O ARG A 26 -12.464 1.480 1.005 1.00 74.33 O ATOM 407 CB ARG A 26 -11.941 4.410 2.407 1.00 42.01 C ATOM 408 CG ARG A 26 -11.661 3.401 3.522 1.00 3.45 C ATOM 409 CD ARG A 26 -11.926 3.998 4.908 1.00 43.11 C ATOM 410 NE ARG A 26 -11.747 3.023 5.986 1.00 70.34 N ATOM 411 CZ ARG A 26 -12.600 2.073 6.272 1.00 32.21 C ATOM 412 NH1 ARG A 26 -13.714 1.966 5.620 1.00 61.22 N ATOM 413 NH2 ARG A 26 -12.348 1.252 7.239 1.00 0.42 N ATOM 0 H ARG A 26 -12.367 5.792 0.414 1.00 35.34 H new ATOM 0 HA ARG A 26 -10.885 3.453 0.780 1.00 73.40 H new ATOM 0 HB2 ARG A 26 -11.216 5.221 2.478 1.00 42.01 H new ATOM 0 HB3 ARG A 26 -12.926 4.848 2.570 1.00 42.01 H new ATOM 0 HG2 ARG A 26 -12.286 2.519 3.380 1.00 3.45 H new ATOM 0 HG3 ARG A 26 -10.624 3.070 3.461 1.00 3.45 H new ATOM 0 HD2 ARG A 26 -11.254 4.841 5.071 1.00 43.11 H new ATOM 0 HD3 ARG A 26 -12.943 4.389 4.942 1.00 43.11 H new ATOM 0 HE ARG A 26 -10.901 3.089 6.552 1.00 70.34 H new ATOM 0 HH11 ARG A 26 -13.934 2.627 4.875 1.00 61.22 H new ATOM 0 HH12 ARG A 26 -14.371 1.221 5.852 1.00 61.22 H new ATOM 0 HH21 ARG A 26 -11.486 1.346 7.776 1.00 0.42 H new ATOM 0 HH22 ARG A 26 -13.011 0.510 7.464 1.00 0.42 H new ATOM 427 N ILE A 27 -14.135 2.941 0.603 1.00 64.10 N ATOM 428 CA ILE A 27 -15.163 1.906 0.431 1.00 63.02 C ATOM 429 C ILE A 27 -14.782 0.915 -0.685 1.00 20.03 C ATOM 430 O ILE A 27 -14.647 -0.282 -0.451 1.00 32.42 O ATOM 431 CB ILE A 27 -16.539 2.540 0.093 1.00 0.20 C ATOM 432 CG1 ILE A 27 -16.935 3.577 1.157 1.00 43.34 C ATOM 433 CG2 ILE A 27 -17.612 1.456 -0.039 1.00 71.12 C ATOM 434 CD1 ILE A 27 -18.235 4.297 0.859 1.00 1.34 C ATOM 0 H ILE A 27 -14.481 3.895 0.504 1.00 64.10 H new ATOM 0 HA ILE A 27 -15.233 1.368 1.376 1.00 63.02 H new ATOM 0 HB ILE A 27 -16.455 3.054 -0.865 1.00 0.20 H new ATOM 0 HG12 ILE A 27 -17.020 3.078 2.122 1.00 43.34 H new ATOM 0 HG13 ILE A 27 -16.136 4.313 1.248 1.00 43.34 H new ATOM 0 HG21 ILE A 27 -18.570 1.919 -0.276 1.00 71.12 H new ATOM 0 HG22 ILE A 27 -17.336 0.766 -0.836 1.00 71.12 H new ATOM 0 HG23 ILE A 27 -17.696 0.910 0.901 1.00 71.12 H new ATOM 0 HD11 ILE A 27 -18.446 5.011 1.655 1.00 1.34 H new ATOM 0 HD12 ILE A 27 -18.149 4.826 -0.090 1.00 1.34 H new ATOM 0 HD13 ILE A 27 -19.047 3.572 0.798 1.00 1.34 H new ATOM 446 N GLU A 28 -14.573 1.434 -1.890 1.00 73.31 N ATOM 447 CA GLU A 28 -14.178 0.606 -3.036 1.00 42.43 C ATOM 448 C GLU A 28 -12.848 -0.124 -2.773 1.00 4.34 C ATOM 449 O GLU A 28 -12.621 -1.228 -3.274 1.00 43.03 O ATOM 450 CB GLU A 28 -14.075 1.483 -4.292 1.00 44.21 C ATOM 451 CG GLU A 28 -15.407 2.114 -4.711 1.00 1.12 C ATOM 452 CD GLU A 28 -16.340 1.138 -5.420 1.00 24.15 C ATOM 453 OE1 GLU A 28 -16.822 0.185 -4.772 1.00 4.04 O ATOM 454 OE2 GLU A 28 -16.602 1.328 -6.630 1.00 41.30 O ATOM 0 H GLU A 28 -14.670 2.427 -2.104 1.00 73.31 H new ATOM 0 HA GLU A 28 -14.941 -0.157 -3.190 1.00 42.43 H new ATOM 0 HB2 GLU A 28 -13.348 2.275 -4.113 1.00 44.21 H new ATOM 0 HB3 GLU A 28 -13.693 0.880 -5.116 1.00 44.21 H new ATOM 0 HG2 GLU A 28 -15.908 2.508 -3.827 1.00 1.12 H new ATOM 0 HG3 GLU A 28 -15.209 2.960 -5.369 1.00 1.12 H new ATOM 461 N ALA A 29 -11.979 0.502 -1.980 1.00 12.42 N ATOM 462 CA ALA A 29 -10.687 -0.088 -1.611 1.00 43.15 C ATOM 463 C ALA A 29 -10.844 -1.305 -0.682 1.00 51.32 C ATOM 464 O ALA A 29 -10.083 -2.266 -0.776 1.00 14.54 O ATOM 465 CB ALA A 29 -9.803 0.966 -0.955 1.00 4.21 C ATOM 0 H ALA A 29 -12.146 1.424 -1.577 1.00 12.42 H new ATOM 0 HA ALA A 29 -10.216 -0.443 -2.528 1.00 43.15 H new ATOM 0 HB1 ALA A 29 -8.846 0.521 -0.684 1.00 4.21 H new ATOM 0 HB2 ALA A 29 -9.637 1.787 -1.653 1.00 4.21 H new ATOM 0 HB3 ALA A 29 -10.293 1.346 -0.059 1.00 4.21 H new ATOM 471 N GLN A 30 -11.826 -1.260 0.224 1.00 41.04 N ATOM 472 CA GLN A 30 -12.054 -2.371 1.166 1.00 64.14 C ATOM 473 C GLN A 30 -12.961 -3.460 0.569 1.00 54.45 C ATOM 474 O GLN A 30 -12.771 -4.647 0.835 1.00 12.15 O ATOM 475 CB GLN A 30 -12.662 -1.866 2.485 1.00 5.32 C ATOM 476 CG GLN A 30 -13.954 -1.071 2.317 1.00 42.51 C ATOM 477 CD GLN A 30 -14.765 -0.980 3.595 1.00 4.33 C ATOM 478 OE1 GLN A 30 -14.556 -0.103 4.423 1.00 23.33 O ATOM 479 NE2 GLN A 30 -15.719 -1.870 3.751 1.00 5.10 N ATOM 0 H GLN A 30 -12.472 -0.477 0.328 1.00 41.04 H new ATOM 0 HA GLN A 30 -11.077 -2.811 1.365 1.00 64.14 H new ATOM 0 HB2 GLN A 30 -12.857 -2.721 3.133 1.00 5.32 H new ATOM 0 HB3 GLN A 30 -11.928 -1.241 2.994 1.00 5.32 H new ATOM 0 HG2 GLN A 30 -13.713 -0.065 1.974 1.00 42.51 H new ATOM 0 HG3 GLN A 30 -14.561 -1.536 1.540 1.00 42.51 H new ATOM 0 HE21 GLN A 30 -15.867 -2.588 3.042 1.00 5.10 H new ATOM 0 HE22 GLN A 30 -16.311 -1.843 4.581 1.00 5.10 H new ATOM 488 N GLU A 31 -13.934 -3.055 -0.243 1.00 52.05 N ATOM 489 CA GLU A 31 -14.939 -3.985 -0.780 1.00 62.04 C ATOM 490 C GLU A 31 -14.349 -4.992 -1.785 1.00 0.00 C ATOM 491 O GLU A 31 -15.018 -5.952 -2.168 1.00 5.33 O ATOM 492 CB GLU A 31 -16.093 -3.196 -1.419 1.00 62.34 C ATOM 493 CG GLU A 31 -16.857 -2.318 -0.428 1.00 50.55 C ATOM 494 CD GLU A 31 -17.611 -3.120 0.631 1.00 31.23 C ATOM 495 OE1 GLU A 31 -17.010 -3.469 1.673 1.00 1.43 O ATOM 496 OE2 GLU A 31 -18.811 -3.399 0.426 1.00 1.23 O ATOM 0 H GLU A 31 -14.053 -2.089 -0.547 1.00 52.05 H new ATOM 0 HA GLU A 31 -15.315 -4.571 0.058 1.00 62.04 H new ATOM 0 HB2 GLU A 31 -15.695 -2.568 -2.216 1.00 62.34 H new ATOM 0 HB3 GLU A 31 -16.788 -3.896 -1.882 1.00 62.34 H new ATOM 0 HG2 GLU A 31 -16.156 -1.645 0.066 1.00 50.55 H new ATOM 0 HG3 GLU A 31 -17.565 -1.695 -0.975 1.00 50.55 H new ATOM 503 N LEU A 32 -13.116 -4.760 -2.232 1.00 70.22 N ATOM 504 CA LEU A 32 -12.429 -5.711 -3.122 1.00 22.02 C ATOM 505 C LEU A 32 -11.492 -6.647 -2.327 1.00 73.00 C ATOM 506 O LEU A 32 -10.960 -7.622 -2.863 1.00 63.21 O ATOM 507 CB LEU A 32 -11.653 -4.948 -4.216 1.00 51.04 C ATOM 508 CG LEU A 32 -10.442 -4.106 -3.755 1.00 14.31 C ATOM 509 CD1 LEU A 32 -9.178 -4.959 -3.646 1.00 43.22 C ATOM 510 CD2 LEU A 32 -10.216 -2.929 -4.704 1.00 3.44 C ATOM 0 H LEU A 32 -12.571 -3.930 -1.998 1.00 70.22 H new ATOM 0 HA LEU A 32 -13.182 -6.336 -3.602 1.00 22.02 H new ATOM 0 HB2 LEU A 32 -11.303 -5.672 -4.951 1.00 51.04 H new ATOM 0 HB3 LEU A 32 -12.351 -4.286 -4.728 1.00 51.04 H new ATOM 0 HG LEU A 32 -10.666 -3.716 -2.762 1.00 14.31 H new ATOM 0 HD11 LEU A 32 -8.345 -4.336 -3.320 1.00 43.22 H new ATOM 0 HD12 LEU A 32 -9.339 -5.758 -2.922 1.00 43.22 H new ATOM 0 HD13 LEU A 32 -8.947 -5.393 -4.619 1.00 43.22 H new ATOM 0 HD21 LEU A 32 -9.359 -2.347 -4.364 1.00 3.44 H new ATOM 0 HD22 LEU A 32 -10.024 -3.304 -5.709 1.00 3.44 H new ATOM 0 HD23 LEU A 32 -11.103 -2.296 -4.716 1.00 3.44 H new ATOM 522 N LEU A 33 -11.302 -6.338 -1.046 1.00 61.01 N ATOM 523 CA LEU A 33 -10.417 -7.117 -0.173 1.00 4.12 C ATOM 524 C LEU A 33 -11.140 -8.352 0.393 1.00 71.32 C ATOM 525 O LEU A 33 -12.045 -8.231 1.224 1.00 45.12 O ATOM 526 CB LEU A 33 -9.900 -6.225 0.964 1.00 11.42 C ATOM 527 CG LEU A 33 -9.068 -5.013 0.511 1.00 42.52 C ATOM 528 CD1 LEU A 33 -8.625 -4.175 1.705 1.00 13.04 C ATOM 529 CD2 LEU A 33 -7.859 -5.462 -0.309 1.00 75.13 C ATOM 0 H LEU A 33 -11.752 -5.548 -0.584 1.00 61.01 H new ATOM 0 HA LEU A 33 -9.572 -7.472 -0.762 1.00 4.12 H new ATOM 0 HB2 LEU A 33 -10.753 -5.867 1.541 1.00 11.42 H new ATOM 0 HB3 LEU A 33 -9.294 -6.833 1.636 1.00 11.42 H new ATOM 0 HG LEU A 33 -9.701 -4.391 -0.122 1.00 42.52 H new ATOM 0 HD11 LEU A 33 -8.039 -3.325 1.356 1.00 13.04 H new ATOM 0 HD12 LEU A 33 -9.502 -3.814 2.242 1.00 13.04 H new ATOM 0 HD13 LEU A 33 -8.017 -4.786 2.372 1.00 13.04 H new ATOM 0 HD21 LEU A 33 -7.285 -4.589 -0.619 1.00 75.13 H new ATOM 0 HD22 LEU A 33 -7.230 -6.113 0.297 1.00 75.13 H new ATOM 0 HD23 LEU A 33 -8.199 -6.004 -1.191 1.00 75.13 H new ATOM 541 N LYS A 34 -10.720 -9.538 -0.055 1.00 42.20 N ATOM 542 CA LYS A 34 -11.425 -10.794 0.258 1.00 44.42 C ATOM 543 C LYS A 34 -10.565 -11.763 1.096 1.00 51.31 C ATOM 544 O LYS A 34 -11.068 -12.412 2.018 1.00 64.03 O ATOM 545 CB LYS A 34 -11.844 -11.463 -1.059 1.00 4.13 C ATOM 546 CG LYS A 34 -10.654 -11.809 -1.952 1.00 54.13 C ATOM 547 CD LYS A 34 -11.050 -12.069 -3.398 1.00 2.41 C ATOM 548 CE LYS A 34 -9.814 -12.246 -4.272 1.00 11.05 C ATOM 549 NZ LYS A 34 -8.883 -11.088 -4.148 1.00 60.24 N ATOM 0 H LYS A 34 -9.892 -9.660 -0.638 1.00 42.20 H new ATOM 0 HA LYS A 34 -12.299 -10.551 0.862 1.00 44.42 H new ATOM 0 HB2 LYS A 34 -12.403 -12.372 -0.838 1.00 4.13 H new ATOM 0 HB3 LYS A 34 -12.518 -10.799 -1.600 1.00 4.13 H new ATOM 0 HG2 LYS A 34 -9.933 -10.992 -1.920 1.00 54.13 H new ATOM 0 HG3 LYS A 34 -10.153 -12.692 -1.554 1.00 54.13 H new ATOM 0 HD2 LYS A 34 -11.672 -12.962 -3.455 1.00 2.41 H new ATOM 0 HD3 LYS A 34 -11.649 -11.238 -3.771 1.00 2.41 H new ATOM 0 HE2 LYS A 34 -9.296 -13.162 -3.989 1.00 11.05 H new ATOM 0 HE3 LYS A 34 -10.117 -12.360 -5.313 1.00 11.05 H new ATOM 0 HZ1 LYS A 34 -8.133 -11.167 -4.864 1.00 60.24 H new ATOM 0 HZ2 LYS A 34 -9.409 -10.203 -4.294 1.00 60.24 H new ATOM 0 HZ3 LYS A 34 -8.457 -11.085 -3.199 1.00 60.24 H new ATOM 563 N LYS A 35 -9.272 -11.870 0.771 1.00 42.54 N ATOM 564 CA LYS A 35 -8.366 -12.800 1.469 1.00 12.11 C ATOM 565 C LYS A 35 -7.201 -12.058 2.135 1.00 20.24 C ATOM 566 O LYS A 35 -6.797 -10.982 1.684 1.00 62.22 O ATOM 567 CB LYS A 35 -7.804 -13.848 0.494 1.00 54.13 C ATOM 568 CG LYS A 35 -7.009 -13.251 -0.669 1.00 72.01 C ATOM 569 CD LYS A 35 -6.113 -14.284 -1.353 1.00 43.05 C ATOM 570 CE LYS A 35 -5.021 -14.795 -0.414 1.00 3.33 C ATOM 571 NZ LYS A 35 -4.071 -15.711 -1.101 1.00 54.41 N ATOM 0 H LYS A 35 -8.826 -11.327 0.031 1.00 42.54 H new ATOM 0 HA LYS A 35 -8.952 -13.297 2.242 1.00 12.11 H new ATOM 0 HB2 LYS A 35 -7.162 -14.535 1.045 1.00 54.13 H new ATOM 0 HB3 LYS A 35 -8.630 -14.436 0.093 1.00 54.13 H new ATOM 0 HG2 LYS A 35 -7.700 -12.832 -1.401 1.00 72.01 H new ATOM 0 HG3 LYS A 35 -6.396 -12.428 -0.302 1.00 72.01 H new ATOM 0 HD2 LYS A 35 -6.720 -15.122 -1.696 1.00 43.05 H new ATOM 0 HD3 LYS A 35 -5.655 -13.840 -2.237 1.00 43.05 H new ATOM 0 HE2 LYS A 35 -4.472 -13.948 -0.003 1.00 3.33 H new ATOM 0 HE3 LYS A 35 -5.481 -15.315 0.426 1.00 3.33 H new ATOM 0 HZ1 LYS A 35 -3.776 -16.461 -0.444 1.00 54.41 H new ATOM 0 HZ2 LYS A 35 -4.536 -16.138 -1.927 1.00 54.41 H new ATOM 0 HZ3 LYS A 35 -3.236 -15.175 -1.412 1.00 54.41 H new ATOM 585 N GLN A 36 -6.655 -12.641 3.202 1.00 40.22 N ATOM 586 CA GLN A 36 -5.511 -12.048 3.897 1.00 24.04 C ATOM 587 C GLN A 36 -4.291 -11.972 2.975 1.00 53.24 C ATOM 588 O GLN A 36 -3.589 -12.964 2.755 1.00 3.22 O ATOM 589 CB GLN A 36 -5.178 -12.824 5.179 1.00 51.03 C ATOM 590 CG GLN A 36 -3.972 -12.263 5.932 1.00 62.03 C ATOM 591 CD GLN A 36 -3.862 -12.773 7.359 1.00 32.50 C ATOM 592 OE1 GLN A 36 -4.273 -13.883 7.675 1.00 22.51 O ATOM 593 NE2 GLN A 36 -3.298 -11.967 8.240 1.00 5.05 N ATOM 0 H GLN A 36 -6.984 -13.519 3.603 1.00 40.22 H new ATOM 0 HA GLN A 36 -5.785 -11.032 4.182 1.00 24.04 H new ATOM 0 HB2 GLN A 36 -6.046 -12.812 5.838 1.00 51.03 H new ATOM 0 HB3 GLN A 36 -4.985 -13.866 4.924 1.00 51.03 H new ATOM 0 HG2 GLN A 36 -3.062 -12.522 5.390 1.00 62.03 H new ATOM 0 HG3 GLN A 36 -4.036 -11.175 5.947 1.00 62.03 H new ATOM 0 HE21 GLN A 36 -2.964 -11.048 7.950 1.00 5.05 H new ATOM 0 HE22 GLN A 36 -3.196 -12.264 9.211 1.00 5.05 H new ATOM 602 N GLY A 37 -4.065 -10.788 2.423 1.00 61.02 N ATOM 603 CA GLY A 37 -2.980 -10.585 1.481 1.00 0.31 C ATOM 604 C GLY A 37 -3.277 -9.481 0.476 1.00 53.25 C ATOM 605 O GLY A 37 -2.409 -8.664 0.173 1.00 41.42 O ATOM 0 H GLY A 37 -4.621 -9.954 2.613 1.00 61.02 H new ATOM 0 HA2 GLY A 37 -2.070 -10.338 2.028 1.00 0.31 H new ATOM 0 HA3 GLY A 37 -2.788 -11.516 0.947 1.00 0.31 H new ATOM 609 N ASP A 38 -4.515 -9.455 -0.028 1.00 44.25 N ATOM 610 CA ASP A 38 -4.937 -8.453 -1.015 1.00 43.54 C ATOM 611 C ASP A 38 -4.587 -7.029 -0.553 1.00 4.10 C ATOM 612 O ASP A 38 -5.049 -6.581 0.499 1.00 43.40 O ATOM 613 CB ASP A 38 -6.449 -8.539 -1.260 1.00 43.44 C ATOM 614 CG ASP A 38 -6.909 -9.883 -1.797 1.00 73.44 C ATOM 615 OD1 ASP A 38 -6.152 -10.530 -2.548 1.00 23.54 O ATOM 616 OD2 ASP A 38 -8.048 -10.290 -1.483 1.00 34.34 O ATOM 0 H ASP A 38 -5.245 -10.118 0.232 1.00 44.25 H new ATOM 0 HA ASP A 38 -4.402 -8.667 -1.940 1.00 43.54 H new ATOM 0 HB2 ASP A 38 -6.971 -8.334 -0.325 1.00 43.44 H new ATOM 0 HB3 ASP A 38 -6.738 -7.759 -1.964 1.00 43.44 H new ATOM 621 N PHE A 39 -3.776 -6.325 -1.339 1.00 2.22 N ATOM 622 CA PHE A 39 -3.398 -4.948 -1.011 1.00 62.35 C ATOM 623 C PHE A 39 -3.487 -4.022 -2.231 1.00 33.22 C ATOM 624 O PHE A 39 -3.261 -4.442 -3.370 1.00 5.14 O ATOM 625 CB PHE A 39 -1.978 -4.901 -0.418 1.00 10.24 C ATOM 626 CG PHE A 39 -0.880 -5.304 -1.376 1.00 33.23 C ATOM 627 CD1 PHE A 39 -0.560 -6.641 -1.572 1.00 5.43 C ATOM 628 CD2 PHE A 39 -0.159 -4.340 -2.072 1.00 35.21 C ATOM 629 CE1 PHE A 39 0.453 -7.006 -2.438 1.00 53.44 C ATOM 630 CE2 PHE A 39 0.852 -4.705 -2.942 1.00 50.32 C ATOM 631 CZ PHE A 39 1.159 -6.037 -3.123 1.00 52.52 C ATOM 0 H PHE A 39 -3.368 -6.681 -2.204 1.00 2.22 H new ATOM 0 HA PHE A 39 -4.109 -4.589 -0.267 1.00 62.35 H new ATOM 0 HB2 PHE A 39 -1.780 -3.889 -0.064 1.00 10.24 H new ATOM 0 HB3 PHE A 39 -1.941 -5.556 0.453 1.00 10.24 H new ATOM 0 HD1 PHE A 39 -1.109 -7.405 -1.041 1.00 5.43 H new ATOM 0 HD2 PHE A 39 -0.391 -3.295 -1.932 1.00 35.21 H new ATOM 0 HE1 PHE A 39 0.693 -8.050 -2.579 1.00 53.44 H new ATOM 0 HE2 PHE A 39 1.401 -3.947 -3.480 1.00 50.32 H new ATOM 0 HZ PHE A 39 1.951 -6.322 -3.800 1.00 52.52 H new ATOM 641 N LEU A 40 -3.828 -2.762 -1.980 1.00 62.01 N ATOM 642 CA LEU A 40 -3.867 -1.740 -3.030 1.00 25.20 C ATOM 643 C LEU A 40 -3.551 -0.350 -2.463 1.00 34.42 C ATOM 644 O LEU A 40 -3.865 -0.053 -1.312 1.00 43.52 O ATOM 645 CB LEU A 40 -5.244 -1.697 -3.713 1.00 73.24 C ATOM 646 CG LEU A 40 -6.414 -1.231 -2.824 1.00 12.21 C ATOM 647 CD1 LEU A 40 -7.561 -0.698 -3.673 1.00 2.23 C ATOM 648 CD2 LEU A 40 -6.906 -2.365 -1.931 1.00 4.00 C ATOM 0 H LEU A 40 -4.083 -2.419 -1.054 1.00 62.01 H new ATOM 0 HA LEU A 40 -3.108 -2.011 -3.764 1.00 25.20 H new ATOM 0 HB2 LEU A 40 -5.181 -1.035 -4.576 1.00 73.24 H new ATOM 0 HB3 LEU A 40 -5.473 -2.693 -4.092 1.00 73.24 H new ATOM 0 HG LEU A 40 -6.047 -0.425 -2.189 1.00 12.21 H new ATOM 0 HD11 LEU A 40 -8.375 -0.375 -3.024 1.00 2.23 H new ATOM 0 HD12 LEU A 40 -7.212 0.148 -4.266 1.00 2.23 H new ATOM 0 HD13 LEU A 40 -7.918 -1.485 -4.338 1.00 2.23 H new ATOM 0 HD21 LEU A 40 -7.731 -2.010 -1.314 1.00 4.00 H new ATOM 0 HD22 LEU A 40 -7.247 -3.194 -2.551 1.00 4.00 H new ATOM 0 HD23 LEU A 40 -6.092 -2.702 -1.289 1.00 4.00 H new ATOM 660 N VAL A 41 -2.935 0.500 -3.274 1.00 63.31 N ATOM 661 CA VAL A 41 -2.678 1.889 -2.890 1.00 50.05 C ATOM 662 C VAL A 41 -3.646 2.842 -3.607 1.00 63.42 C ATOM 663 O VAL A 41 -3.773 2.814 -4.833 1.00 73.23 O ATOM 664 CB VAL A 41 -1.218 2.307 -3.200 1.00 73.53 C ATOM 665 CG1 VAL A 41 -0.978 3.776 -2.849 1.00 50.23 C ATOM 666 CG2 VAL A 41 -0.234 1.406 -2.455 1.00 63.24 C ATOM 0 H VAL A 41 -2.601 0.254 -4.206 1.00 63.31 H new ATOM 0 HA VAL A 41 -2.836 1.957 -1.814 1.00 50.05 H new ATOM 0 HB VAL A 41 -1.053 2.189 -4.271 1.00 73.53 H new ATOM 0 HG11 VAL A 41 0.055 4.041 -3.077 1.00 50.23 H new ATOM 0 HG12 VAL A 41 -1.651 4.404 -3.433 1.00 50.23 H new ATOM 0 HG13 VAL A 41 -1.166 3.932 -1.787 1.00 50.23 H new ATOM 0 HG21 VAL A 41 0.786 1.714 -2.684 1.00 63.24 H new ATOM 0 HG22 VAL A 41 -0.406 1.489 -1.382 1.00 63.24 H new ATOM 0 HG23 VAL A 41 -0.380 0.372 -2.767 1.00 63.24 H new ATOM 676 N ARG A 42 -4.346 3.667 -2.839 1.00 42.32 N ATOM 677 CA ARG A 42 -5.271 4.653 -3.401 1.00 33.25 C ATOM 678 C ARG A 42 -4.835 6.079 -3.032 1.00 3.13 C ATOM 679 O ARG A 42 -4.337 6.315 -1.929 1.00 74.21 O ATOM 680 CB ARG A 42 -6.703 4.405 -2.894 1.00 41.10 C ATOM 681 CG ARG A 42 -6.884 4.685 -1.399 1.00 13.30 C ATOM 682 CD ARG A 42 -8.340 4.556 -0.958 1.00 74.30 C ATOM 683 NE ARG A 42 -8.603 5.310 0.270 1.00 64.03 N ATOM 684 CZ ARG A 42 -9.195 6.479 0.297 1.00 23.53 C ATOM 685 NH1 ARG A 42 -9.626 7.026 -0.797 1.00 23.15 N ATOM 686 NH2 ARG A 42 -9.357 7.095 1.422 1.00 72.52 N ATOM 0 H ARG A 42 -4.293 3.676 -1.820 1.00 42.32 H new ATOM 0 HA ARG A 42 -5.254 4.546 -4.486 1.00 33.25 H new ATOM 0 HB2 ARG A 42 -7.393 5.033 -3.458 1.00 41.10 H new ATOM 0 HB3 ARG A 42 -6.976 3.369 -3.096 1.00 41.10 H new ATOM 0 HG2 ARG A 42 -6.270 3.991 -0.825 1.00 13.30 H new ATOM 0 HG3 ARG A 42 -6.526 5.690 -1.174 1.00 13.30 H new ATOM 0 HD2 ARG A 42 -8.994 4.915 -1.753 1.00 74.30 H new ATOM 0 HD3 ARG A 42 -8.580 3.505 -0.798 1.00 74.30 H new ATOM 0 HE ARG A 42 -8.308 4.901 1.157 1.00 64.03 H new ATOM 0 HH11 ARG A 42 -9.506 6.546 -1.689 1.00 23.15 H new ATOM 0 HH12 ARG A 42 -10.085 7.936 -0.765 1.00 23.15 H new ATOM 0 HH21 ARG A 42 -9.024 6.671 2.288 1.00 72.52 H new ATOM 0 HH22 ARG A 42 -9.818 8.005 1.444 1.00 72.52 H new ATOM 700 N GLU A 43 -4.996 7.017 -3.959 1.00 15.11 N ATOM 701 CA GLU A 43 -4.731 8.434 -3.666 1.00 72.43 C ATOM 702 C GLU A 43 -5.990 9.109 -3.085 1.00 61.52 C ATOM 703 O GLU A 43 -7.108 8.849 -3.530 1.00 54.13 O ATOM 704 CB GLU A 43 -4.256 9.167 -4.931 1.00 50.52 C ATOM 705 CG GLU A 43 -3.652 10.545 -4.660 1.00 72.32 C ATOM 706 CD GLU A 43 -3.117 11.225 -5.916 1.00 42.22 C ATOM 707 OE1 GLU A 43 -2.562 10.527 -6.797 1.00 23.45 O ATOM 708 OE2 GLU A 43 -3.223 12.467 -6.014 1.00 42.10 O ATOM 0 H GLU A 43 -5.305 6.832 -4.913 1.00 15.11 H new ATOM 0 HA GLU A 43 -3.937 8.490 -2.921 1.00 72.43 H new ATOM 0 HB2 GLU A 43 -3.515 8.550 -5.439 1.00 50.52 H new ATOM 0 HB3 GLU A 43 -5.099 9.279 -5.612 1.00 50.52 H new ATOM 0 HG2 GLU A 43 -4.409 11.183 -4.204 1.00 72.32 H new ATOM 0 HG3 GLU A 43 -2.843 10.444 -3.937 1.00 72.32 H new ATOM 715 N SER A 44 -5.807 9.965 -2.083 1.00 33.33 N ATOM 716 CA SER A 44 -6.935 10.609 -1.391 1.00 12.00 C ATOM 717 C SER A 44 -7.533 11.769 -2.199 1.00 22.41 C ATOM 718 O SER A 44 -6.811 12.650 -2.667 1.00 73.11 O ATOM 719 CB SER A 44 -6.493 11.137 -0.015 1.00 34.51 C ATOM 720 OG SER A 44 -7.546 11.839 0.634 1.00 42.25 O ATOM 0 H SER A 44 -4.889 10.233 -1.727 1.00 33.33 H new ATOM 0 HA SER A 44 -7.703 9.844 -1.273 1.00 12.00 H new ATOM 0 HB2 SER A 44 -6.170 10.304 0.609 1.00 34.51 H new ATOM 0 HB3 SER A 44 -5.634 11.797 -0.136 1.00 34.51 H new ATOM 0 HG SER A 44 -7.236 12.161 1.506 1.00 42.25 H new ATOM 794 N GLU A 50 -1.894 12.568 -0.962 1.00 3.44 N ATOM 795 CA GLU A 50 -1.819 11.603 0.143 1.00 14.00 C ATOM 796 C GLU A 50 -2.238 10.196 -0.315 1.00 54.15 C ATOM 797 O GLU A 50 -3.386 9.972 -0.702 1.00 42.33 O ATOM 798 CB GLU A 50 -2.696 12.064 1.317 1.00 64.12 C ATOM 799 CG GLU A 50 -2.662 11.123 2.520 1.00 5.13 C ATOM 800 CD GLU A 50 -3.437 11.659 3.717 1.00 10.41 C ATOM 801 OE1 GLU A 50 -2.838 12.376 4.548 1.00 43.12 O ATOM 802 OE2 GLU A 50 -4.646 11.365 3.836 1.00 51.33 O ATOM 0 HA GLU A 50 -0.782 11.554 0.474 1.00 14.00 H new ATOM 0 HB2 GLU A 50 -2.371 13.055 1.634 1.00 64.12 H new ATOM 0 HB3 GLU A 50 -3.726 12.161 0.973 1.00 64.12 H new ATOM 0 HG2 GLU A 50 -3.075 10.157 2.230 1.00 5.13 H new ATOM 0 HG3 GLU A 50 -1.626 10.953 2.812 1.00 5.13 H new ATOM 809 N TYR A 51 -1.298 9.258 -0.271 1.00 1.22 N ATOM 810 CA TYR A 51 -1.553 7.876 -0.694 1.00 65.13 C ATOM 811 C TYR A 51 -1.751 6.951 0.515 1.00 52.04 C ATOM 812 O TYR A 51 -1.030 7.046 1.508 1.00 54.33 O ATOM 813 CB TYR A 51 -0.391 7.368 -1.560 1.00 54.40 C ATOM 814 CG TYR A 51 -0.200 8.163 -2.837 1.00 60.30 C ATOM 815 CD1 TYR A 51 0.501 9.364 -2.834 1.00 4.31 C ATOM 816 CD2 TYR A 51 -0.729 7.716 -4.043 1.00 61.41 C ATOM 817 CE1 TYR A 51 0.666 10.097 -3.993 1.00 51.23 C ATOM 818 CE2 TYR A 51 -0.566 8.445 -5.205 1.00 45.22 C ATOM 819 CZ TYR A 51 0.132 9.633 -5.174 1.00 50.51 C ATOM 820 OH TYR A 51 0.293 10.361 -6.330 1.00 72.41 O ATOM 0 H TYR A 51 -0.346 9.426 0.054 1.00 1.22 H new ATOM 0 HA TYR A 51 -2.472 7.866 -1.281 1.00 65.13 H new ATOM 0 HB2 TYR A 51 0.529 7.404 -0.977 1.00 54.40 H new ATOM 0 HB3 TYR A 51 -0.567 6.323 -1.814 1.00 54.40 H new ATOM 0 HD1 TYR A 51 0.924 9.730 -1.910 1.00 4.31 H new ATOM 0 HD2 TYR A 51 -1.275 6.785 -4.072 1.00 61.41 H new ATOM 0 HE1 TYR A 51 1.211 11.029 -3.973 1.00 51.23 H new ATOM 0 HE2 TYR A 51 -0.984 8.086 -6.134 1.00 45.22 H new ATOM 0 HH TYR A 51 -0.585 10.548 -6.724 1.00 72.41 H new ATOM 830 N VAL A 52 -2.738 6.063 0.431 1.00 43.44 N ATOM 831 CA VAL A 52 -3.038 5.129 1.523 1.00 75.24 C ATOM 832 C VAL A 52 -3.064 3.671 1.032 1.00 0.42 C ATOM 833 O VAL A 52 -3.732 3.343 0.049 1.00 73.03 O ATOM 834 CB VAL A 52 -4.396 5.463 2.195 1.00 54.01 C ATOM 835 CG1 VAL A 52 -4.681 4.518 3.364 1.00 23.25 C ATOM 836 CG2 VAL A 52 -4.423 6.920 2.658 1.00 3.51 C ATOM 0 H VAL A 52 -3.347 5.967 -0.382 1.00 43.44 H new ATOM 0 HA VAL A 52 -2.238 5.241 2.255 1.00 75.24 H new ATOM 0 HB VAL A 52 -5.182 5.323 1.453 1.00 54.01 H new ATOM 0 HG11 VAL A 52 -5.639 4.776 3.815 1.00 23.25 H new ATOM 0 HG12 VAL A 52 -4.716 3.491 3.001 1.00 23.25 H new ATOM 0 HG13 VAL A 52 -3.891 4.613 4.109 1.00 23.25 H new ATOM 0 HG21 VAL A 52 -5.383 7.135 3.127 1.00 3.51 H new ATOM 0 HG22 VAL A 52 -3.622 7.088 3.378 1.00 3.51 H new ATOM 0 HG23 VAL A 52 -4.283 7.577 1.800 1.00 3.51 H new ATOM 846 N LEU A 53 -2.327 2.806 1.727 1.00 0.13 N ATOM 847 CA LEU A 53 -2.296 1.373 1.421 1.00 44.33 C ATOM 848 C LEU A 53 -3.418 0.627 2.161 1.00 34.22 C ATOM 849 O LEU A 53 -3.448 0.586 3.391 1.00 2.23 O ATOM 850 CB LEU A 53 -0.931 0.783 1.812 1.00 52.20 C ATOM 851 CG LEU A 53 -0.775 -0.736 1.599 1.00 65.34 C ATOM 852 CD1 LEU A 53 -0.892 -1.098 0.119 1.00 1.22 C ATOM 853 CD2 LEU A 53 0.550 -1.228 2.172 1.00 42.24 C ATOM 0 H LEU A 53 -1.737 3.075 2.514 1.00 0.13 H new ATOM 0 HA LEU A 53 -2.451 1.250 0.349 1.00 44.33 H new ATOM 0 HB2 LEU A 53 -0.157 1.293 1.238 1.00 52.20 H new ATOM 0 HB3 LEU A 53 -0.747 1.005 2.863 1.00 52.20 H new ATOM 0 HG LEU A 53 -1.585 -1.235 2.132 1.00 65.34 H new ATOM 0 HD11 LEU A 53 -0.778 -2.175 -0.002 1.00 1.22 H new ATOM 0 HD12 LEU A 53 -1.869 -0.792 -0.254 1.00 1.22 H new ATOM 0 HD13 LEU A 53 -0.112 -0.585 -0.444 1.00 1.22 H new ATOM 0 HD21 LEU A 53 0.640 -2.302 2.011 1.00 42.24 H new ATOM 0 HD22 LEU A 53 1.374 -0.717 1.674 1.00 42.24 H new ATOM 0 HD23 LEU A 53 0.585 -1.017 3.241 1.00 42.24 H new ATOM 865 N SER A 54 -4.346 0.056 1.400 1.00 53.32 N ATOM 866 CA SER A 54 -5.445 -0.742 1.961 1.00 44.13 C ATOM 867 C SER A 54 -5.180 -2.238 1.745 1.00 42.43 C ATOM 868 O SER A 54 -5.080 -2.698 0.609 1.00 22.31 O ATOM 869 CB SER A 54 -6.778 -0.346 1.307 1.00 22.01 C ATOM 870 OG SER A 54 -7.876 -1.012 1.913 1.00 54.42 O ATOM 0 H SER A 54 -4.363 0.129 0.383 1.00 53.32 H new ATOM 0 HA SER A 54 -5.505 -0.545 3.031 1.00 44.13 H new ATOM 0 HB2 SER A 54 -6.917 0.732 1.387 1.00 22.01 H new ATOM 0 HB3 SER A 54 -6.748 -0.586 0.244 1.00 22.01 H new ATOM 0 HG SER A 54 -8.708 -0.736 1.475 1.00 54.42 H new ATOM 876 N VAL A 55 -5.059 -2.993 2.834 1.00 63.21 N ATOM 877 CA VAL A 55 -4.728 -4.425 2.750 1.00 73.13 C ATOM 878 C VAL A 55 -5.577 -5.272 3.712 1.00 54.33 C ATOM 879 O VAL A 55 -5.887 -4.848 4.825 1.00 14.13 O ATOM 880 CB VAL A 55 -3.220 -4.664 3.040 1.00 74.04 C ATOM 881 CG1 VAL A 55 -2.831 -4.099 4.402 1.00 3.12 C ATOM 882 CG2 VAL A 55 -2.865 -6.151 2.939 1.00 31.04 C ATOM 0 H VAL A 55 -5.183 -2.645 3.785 1.00 63.21 H new ATOM 0 HA VAL A 55 -4.954 -4.739 1.731 1.00 73.13 H new ATOM 0 HB VAL A 55 -2.646 -4.134 2.280 1.00 74.04 H new ATOM 0 HG11 VAL A 55 -1.771 -4.279 4.581 1.00 3.12 H new ATOM 0 HG12 VAL A 55 -3.025 -3.027 4.420 1.00 3.12 H new ATOM 0 HG13 VAL A 55 -3.418 -4.587 5.180 1.00 3.12 H new ATOM 0 HG21 VAL A 55 -1.804 -6.287 3.147 1.00 31.04 H new ATOM 0 HG22 VAL A 55 -3.452 -6.715 3.664 1.00 31.04 H new ATOM 0 HG23 VAL A 55 -3.087 -6.511 1.934 1.00 31.04 H new ATOM 892 N TYR A 56 -5.958 -6.471 3.274 1.00 13.32 N ATOM 893 CA TYR A 56 -6.740 -7.384 4.114 1.00 33.33 C ATOM 894 C TYR A 56 -5.815 -8.245 4.990 1.00 4.43 C ATOM 895 O TYR A 56 -5.074 -9.086 4.486 1.00 11.31 O ATOM 896 CB TYR A 56 -7.622 -8.284 3.238 1.00 51.51 C ATOM 897 CG TYR A 56 -8.743 -8.985 3.989 1.00 13.22 C ATOM 898 CD1 TYR A 56 -9.995 -8.389 4.116 1.00 4.12 C ATOM 899 CD2 TYR A 56 -8.561 -10.241 4.560 1.00 31.24 C ATOM 900 CE1 TYR A 56 -11.024 -9.020 4.787 1.00 13.44 C ATOM 901 CE2 TYR A 56 -9.586 -10.877 5.234 1.00 24.25 C ATOM 902 CZ TYR A 56 -10.816 -10.264 5.344 1.00 44.02 C ATOM 903 OH TYR A 56 -11.844 -10.896 6.008 1.00 63.25 O ATOM 0 H TYR A 56 -5.740 -6.834 2.346 1.00 13.32 H new ATOM 0 HA TYR A 56 -7.377 -6.788 4.767 1.00 33.33 H new ATOM 0 HB2 TYR A 56 -8.056 -7.681 2.440 1.00 51.51 H new ATOM 0 HB3 TYR A 56 -6.993 -9.037 2.762 1.00 51.51 H new ATOM 0 HD1 TYR A 56 -10.165 -7.415 3.682 1.00 4.12 H new ATOM 0 HD2 TYR A 56 -7.601 -10.728 4.475 1.00 31.24 H new ATOM 0 HE1 TYR A 56 -11.988 -8.541 4.875 1.00 13.44 H new ATOM 0 HE2 TYR A 56 -9.424 -11.850 5.673 1.00 24.25 H new ATOM 0 HH TYR A 56 -11.534 -11.764 6.340 1.00 63.25 H new ATOM 913 N SER A 57 -5.852 -8.019 6.298 1.00 52.42 N ATOM 914 CA SER A 57 -5.026 -8.784 7.243 1.00 12.02 C ATOM 915 C SER A 57 -5.747 -8.973 8.577 1.00 62.30 C ATOM 916 O SER A 57 -6.471 -8.083 9.023 1.00 13.02 O ATOM 917 CB SER A 57 -3.675 -8.100 7.482 1.00 32.11 C ATOM 918 OG SER A 57 -2.865 -8.866 8.363 1.00 12.41 O ATOM 0 H SER A 57 -6.444 -7.313 6.735 1.00 52.42 H new ATOM 0 HA SER A 57 -4.849 -9.762 6.795 1.00 12.02 H new ATOM 0 HB2 SER A 57 -3.158 -7.966 6.532 1.00 32.11 H new ATOM 0 HB3 SER A 57 -3.835 -7.107 7.901 1.00 32.11 H new ATOM 0 HG SER A 57 -3.126 -8.683 9.290 1.00 12.41 H new ATOM 924 N ASP A 58 -5.573 -10.149 9.186 1.00 71.30 N ATOM 925 CA ASP A 58 -6.184 -10.470 10.489 1.00 22.34 C ATOM 926 C ASP A 58 -7.715 -10.601 10.381 1.00 61.13 C ATOM 927 O ASP A 58 -8.415 -10.657 11.393 1.00 34.40 O ATOM 928 CB ASP A 58 -5.832 -9.398 11.541 1.00 22.13 C ATOM 929 CG ASP A 58 -4.342 -9.119 11.636 1.00 41.31 C ATOM 930 OD1 ASP A 58 -3.630 -9.886 12.313 1.00 25.23 O ATOM 931 OD2 ASP A 58 -3.877 -8.116 11.049 1.00 60.50 O ATOM 0 H ASP A 58 -5.009 -10.905 8.797 1.00 71.30 H new ATOM 0 HA ASP A 58 -5.776 -11.430 10.804 1.00 22.34 H new ATOM 0 HB2 ASP A 58 -6.353 -8.473 11.296 1.00 22.13 H new ATOM 0 HB3 ASP A 58 -6.197 -9.721 12.516 1.00 22.13 H new ATOM 936 N GLY A 59 -8.224 -10.671 9.152 1.00 13.23 N ATOM 937 CA GLY A 59 -9.668 -10.627 8.936 1.00 31.22 C ATOM 938 C GLY A 59 -10.205 -9.199 8.928 1.00 32.30 C ATOM 939 O GLY A 59 -11.415 -8.976 8.918 1.00 52.41 O ATOM 0 H GLY A 59 -7.667 -10.757 8.302 1.00 13.23 H new ATOM 0 HA2 GLY A 59 -9.907 -11.109 7.988 1.00 31.22 H new ATOM 0 HA3 GLY A 59 -10.168 -11.197 9.718 1.00 31.22 H new ATOM 943 N GLN A 60 -9.290 -8.234 8.929 1.00 40.51 N ATOM 944 CA GLN A 60 -9.631 -6.809 8.955 1.00 53.24 C ATOM 945 C GLN A 60 -9.080 -6.093 7.714 1.00 44.14 C ATOM 946 O GLN A 60 -8.208 -6.618 7.016 1.00 21.13 O ATOM 947 CB GLN A 60 -9.032 -6.159 10.211 1.00 1.03 C ATOM 948 CG GLN A 60 -9.325 -6.908 11.508 1.00 35.35 C ATOM 949 CD GLN A 60 -8.588 -6.320 12.699 1.00 51.52 C ATOM 950 OE1 GLN A 60 -8.324 -5.124 12.755 1.00 71.04 O ATOM 951 NE2 GLN A 60 -8.243 -7.155 13.654 1.00 74.34 N ATOM 0 H GLN A 60 -8.286 -8.416 8.912 1.00 40.51 H new ATOM 0 HA GLN A 60 -10.717 -6.717 8.964 1.00 53.24 H new ATOM 0 HB2 GLN A 60 -7.952 -6.082 10.086 1.00 1.03 H new ATOM 0 HB3 GLN A 60 -9.416 -5.143 10.298 1.00 1.03 H new ATOM 0 HG2 GLN A 60 -10.397 -6.886 11.702 1.00 35.35 H new ATOM 0 HG3 GLN A 60 -9.043 -7.954 11.391 1.00 35.35 H new ATOM 0 HE21 GLN A 60 -8.478 -8.144 13.576 1.00 74.34 H new ATOM 0 HE22 GLN A 60 -7.740 -6.813 14.473 1.00 74.34 H new ATOM 960 N ARG A 61 -9.590 -4.896 7.431 1.00 62.25 N ATOM 961 CA ARG A 61 -9.004 -4.045 6.390 1.00 22.04 C ATOM 962 C ARG A 61 -8.034 -3.022 7.006 1.00 14.10 C ATOM 963 O ARG A 61 -8.453 -2.015 7.579 1.00 34.44 O ATOM 964 CB ARG A 61 -10.093 -3.317 5.581 1.00 23.32 C ATOM 965 CG ARG A 61 -10.761 -4.170 4.502 1.00 22.21 C ATOM 966 CD ARG A 61 -11.699 -5.235 5.065 1.00 43.31 C ATOM 967 NE ARG A 61 -12.279 -6.048 3.990 1.00 34.25 N ATOM 968 CZ ARG A 61 -13.546 -6.052 3.663 1.00 51.23 C ATOM 969 NH1 ARG A 61 -14.399 -5.329 4.318 1.00 24.44 N ATOM 970 NH2 ARG A 61 -13.955 -6.782 2.676 1.00 52.34 N ATOM 0 H ARG A 61 -10.401 -4.493 7.902 1.00 62.25 H new ATOM 0 HA ARG A 61 -8.450 -4.693 5.711 1.00 22.04 H new ATOM 0 HB2 ARG A 61 -10.859 -2.958 6.268 1.00 23.32 H new ATOM 0 HB3 ARG A 61 -9.651 -2.439 5.110 1.00 23.32 H new ATOM 0 HG2 ARG A 61 -11.323 -3.520 3.831 1.00 22.21 H new ATOM 0 HG3 ARG A 61 -9.990 -4.655 3.904 1.00 22.21 H new ATOM 0 HD2 ARG A 61 -11.153 -5.877 5.756 1.00 43.31 H new ATOM 0 HD3 ARG A 61 -12.496 -4.758 5.635 1.00 43.31 H new ATOM 0 HE ARG A 61 -11.651 -6.652 3.461 1.00 34.25 H new ATOM 0 HH11 ARG A 61 -14.085 -4.750 5.097 1.00 24.44 H new ATOM 0 HH12 ARG A 61 -15.384 -5.339 4.055 1.00 24.44 H new ATOM 0 HH21 ARG A 61 -13.290 -7.353 2.154 1.00 52.34 H new ATOM 0 HH22 ARG A 61 -14.942 -6.786 2.420 1.00 52.34 H new ATOM 984 N ARG A 62 -6.737 -3.285 6.873 1.00 61.44 N ATOM 985 CA ARG A 62 -5.697 -2.392 7.397 1.00 21.42 C ATOM 986 C ARG A 62 -5.469 -1.199 6.453 1.00 21.33 C ATOM 987 O ARG A 62 -5.556 -1.338 5.231 1.00 42.31 O ATOM 988 CB ARG A 62 -4.377 -3.159 7.570 1.00 64.54 C ATOM 989 CG ARG A 62 -4.457 -4.373 8.498 1.00 43.51 C ATOM 990 CD ARG A 62 -4.723 -3.976 9.947 1.00 1.14 C ATOM 991 NE ARG A 62 -4.560 -5.106 10.861 1.00 63.13 N ATOM 992 CZ ARG A 62 -4.416 -4.990 12.153 1.00 44.23 C ATOM 993 NH1 ARG A 62 -4.435 -3.827 12.722 1.00 33.41 N ATOM 994 NH2 ARG A 62 -4.239 -6.045 12.872 1.00 42.20 N ATOM 0 H ARG A 62 -6.375 -4.115 6.404 1.00 61.44 H new ATOM 0 HA ARG A 62 -6.034 -2.018 8.364 1.00 21.42 H new ATOM 0 HB2 ARG A 62 -4.035 -3.491 6.590 1.00 64.54 H new ATOM 0 HB3 ARG A 62 -3.623 -2.473 7.956 1.00 64.54 H new ATOM 0 HG2 ARG A 62 -5.249 -5.039 8.155 1.00 43.51 H new ATOM 0 HG3 ARG A 62 -3.523 -4.933 8.442 1.00 43.51 H new ATOM 0 HD2 ARG A 62 -4.042 -3.175 10.235 1.00 1.14 H new ATOM 0 HD3 ARG A 62 -5.735 -3.581 10.035 1.00 1.14 H new ATOM 0 HE ARG A 62 -4.559 -6.045 10.463 1.00 63.13 H new ATOM 0 HH11 ARG A 62 -4.564 -2.986 12.159 1.00 33.41 H new ATOM 0 HH12 ARG A 62 -4.321 -3.752 13.733 1.00 33.41 H new ATOM 0 HH21 ARG A 62 -4.212 -6.964 12.431 1.00 42.20 H new ATOM 0 HH22 ARG A 62 -4.126 -5.961 13.882 1.00 42.20 H new ATOM 1008 N HIS A 63 -5.186 -0.028 7.018 1.00 11.43 N ATOM 1009 CA HIS A 63 -4.885 1.164 6.215 1.00 51.04 C ATOM 1010 C HIS A 63 -3.602 1.857 6.698 1.00 51.20 C ATOM 1011 O HIS A 63 -3.522 2.322 7.838 1.00 52.41 O ATOM 1012 CB HIS A 63 -6.059 2.151 6.260 1.00 61.12 C ATOM 1013 CG HIS A 63 -7.337 1.588 5.710 1.00 32.25 C ATOM 1014 ND1 HIS A 63 -7.564 1.416 4.361 1.00 70.34 N ATOM 1015 CD2 HIS A 63 -8.458 1.152 6.332 1.00 25.53 C ATOM 1016 CE1 HIS A 63 -8.763 0.903 4.178 1.00 44.11 C ATOM 1017 NE2 HIS A 63 -9.328 0.731 5.355 1.00 53.50 N ATOM 0 H HIS A 63 -5.158 0.125 8.026 1.00 11.43 H new ATOM 0 HA HIS A 63 -4.729 0.838 5.187 1.00 51.04 H new ATOM 0 HB2 HIS A 63 -6.223 2.462 7.292 1.00 61.12 H new ATOM 0 HB3 HIS A 63 -5.793 3.045 5.696 1.00 61.12 H new ATOM 0 HD2 HIS A 63 -8.635 1.138 7.397 1.00 25.53 H new ATOM 0 HE1 HIS A 63 -9.208 0.664 3.223 1.00 44.11 H new ATOM 0 HE2 HIS A 63 -10.260 0.348 5.515 1.00 53.50 H new ATOM 1026 N PHE A 64 -2.602 1.921 5.825 1.00 35.34 N ATOM 1027 CA PHE A 64 -1.327 2.577 6.137 1.00 3.54 C ATOM 1028 C PHE A 64 -1.151 3.845 5.288 1.00 51.34 C ATOM 1029 O PHE A 64 -1.189 3.786 4.060 1.00 62.44 O ATOM 1030 CB PHE A 64 -0.161 1.612 5.876 1.00 33.40 C ATOM 1031 CG PHE A 64 -0.308 0.278 6.563 1.00 62.52 C ATOM 1032 CD1 PHE A 64 -0.130 0.163 7.934 1.00 24.04 C ATOM 1033 CD2 PHE A 64 -0.628 -0.861 5.837 1.00 52.12 C ATOM 1034 CE1 PHE A 64 -0.268 -1.058 8.566 1.00 21.41 C ATOM 1035 CE2 PHE A 64 -0.768 -2.084 6.466 1.00 14.31 C ATOM 1036 CZ PHE A 64 -0.587 -2.181 7.831 1.00 42.13 C ATOM 0 H PHE A 64 -2.647 1.524 4.886 1.00 35.34 H new ATOM 0 HA PHE A 64 -1.332 2.858 7.190 1.00 3.54 H new ATOM 0 HB2 PHE A 64 -0.070 1.449 4.802 1.00 33.40 H new ATOM 0 HB3 PHE A 64 0.766 2.080 6.207 1.00 33.40 H new ATOM 0 HD1 PHE A 64 0.120 1.039 8.515 1.00 24.04 H new ATOM 0 HD2 PHE A 64 -0.769 -0.791 4.769 1.00 52.12 H new ATOM 0 HE1 PHE A 64 -0.126 -1.133 9.634 1.00 21.41 H new ATOM 0 HE2 PHE A 64 -1.019 -2.963 5.890 1.00 14.31 H new ATOM 0 HZ PHE A 64 -0.695 -3.136 8.324 1.00 42.13 H new ATOM 1046 N ILE A 65 -0.967 4.987 5.939 1.00 14.14 N ATOM 1047 CA ILE A 65 -0.808 6.260 5.228 1.00 73.12 C ATOM 1048 C ILE A 65 0.659 6.509 4.836 1.00 1.35 C ATOM 1049 O ILE A 65 1.572 6.284 5.631 1.00 33.40 O ATOM 1050 CB ILE A 65 -1.325 7.447 6.081 1.00 30.44 C ATOM 1051 CG1 ILE A 65 -2.810 7.246 6.440 1.00 50.52 C ATOM 1052 CG2 ILE A 65 -1.122 8.774 5.345 1.00 31.54 C ATOM 1053 CD1 ILE A 65 -3.396 8.347 7.304 1.00 35.33 C ATOM 0 H ILE A 65 -0.924 5.063 6.955 1.00 14.14 H new ATOM 0 HA ILE A 65 -1.404 6.191 4.318 1.00 73.12 H new ATOM 0 HB ILE A 65 -0.748 7.481 7.005 1.00 30.44 H new ATOM 0 HG12 ILE A 65 -3.389 7.176 5.519 1.00 50.52 H new ATOM 0 HG13 ILE A 65 -2.921 6.294 6.959 1.00 50.52 H new ATOM 0 HG21 ILE A 65 -1.492 9.593 5.962 1.00 31.54 H new ATOM 0 HG22 ILE A 65 -0.060 8.921 5.146 1.00 31.54 H new ATOM 0 HG23 ILE A 65 -1.669 8.755 4.402 1.00 31.54 H new ATOM 0 HD11 ILE A 65 -4.444 8.129 7.510 1.00 35.33 H new ATOM 0 HD12 ILE A 65 -2.845 8.405 8.243 1.00 35.33 H new ATOM 0 HD13 ILE A 65 -3.320 9.300 6.780 1.00 35.33 H new ATOM 1065 N ILE A 66 0.871 6.972 3.605 1.00 50.10 N ATOM 1066 CA ILE A 66 2.213 7.290 3.109 1.00 60.14 C ATOM 1067 C ILE A 66 2.551 8.773 3.338 1.00 31.02 C ATOM 1068 O ILE A 66 1.847 9.662 2.852 1.00 33.13 O ATOM 1069 CB ILE A 66 2.341 6.971 1.595 1.00 21.05 C ATOM 1070 CG1 ILE A 66 2.044 5.482 1.334 1.00 34.41 C ATOM 1071 CG2 ILE A 66 3.731 7.347 1.078 1.00 63.15 C ATOM 1072 CD1 ILE A 66 2.167 5.072 -0.121 1.00 1.33 C ATOM 0 H ILE A 66 0.127 7.137 2.928 1.00 50.10 H new ATOM 0 HA ILE A 66 2.915 6.670 3.667 1.00 60.14 H new ATOM 0 HB ILE A 66 1.607 7.568 1.053 1.00 21.05 H new ATOM 0 HG12 ILE A 66 2.727 4.876 1.930 1.00 34.41 H new ATOM 0 HG13 ILE A 66 1.035 5.258 1.679 1.00 34.41 H new ATOM 0 HG21 ILE A 66 3.799 7.115 0.015 1.00 63.15 H new ATOM 0 HG22 ILE A 66 3.899 8.413 1.228 1.00 63.15 H new ATOM 0 HG23 ILE A 66 4.487 6.781 1.622 1.00 63.15 H new ATOM 0 HD11 ILE A 66 1.942 4.010 -0.220 1.00 1.33 H new ATOM 0 HD12 ILE A 66 1.465 5.649 -0.722 1.00 1.33 H new ATOM 0 HD13 ILE A 66 3.183 5.262 -0.468 1.00 1.33 H new ATOM 1084 N GLN A 67 3.623 9.035 4.087 1.00 31.51 N ATOM 1085 CA GLN A 67 4.079 10.411 4.329 1.00 34.04 C ATOM 1086 C GLN A 67 5.196 10.806 3.350 1.00 43.24 C ATOM 1087 O GLN A 67 6.050 9.990 2.998 1.00 10.54 O ATOM 1088 CB GLN A 67 4.578 10.587 5.776 1.00 2.02 C ATOM 1089 CG GLN A 67 3.549 10.239 6.850 1.00 41.41 C ATOM 1090 CD GLN A 67 3.379 8.742 7.039 1.00 12.33 C ATOM 1091 OE1 GLN A 67 4.321 7.975 6.868 1.00 73.21 O ATOM 1092 NE2 GLN A 67 2.184 8.316 7.394 1.00 1.03 N ATOM 0 H GLN A 67 4.192 8.318 4.537 1.00 31.51 H new ATOM 0 HA GLN A 67 3.222 11.065 4.170 1.00 34.04 H new ATOM 0 HB2 GLN A 67 5.460 9.963 5.921 1.00 2.02 H new ATOM 0 HB3 GLN A 67 4.893 11.621 5.915 1.00 2.02 H new ATOM 0 HG2 GLN A 67 3.852 10.688 7.796 1.00 41.41 H new ATOM 0 HG3 GLN A 67 2.588 10.678 6.582 1.00 41.41 H new ATOM 0 HE21 GLN A 67 1.424 8.983 7.527 1.00 1.03 H new ATOM 0 HE22 GLN A 67 2.019 7.319 7.536 1.00 1.03 H new ATOM 1101 N TYR A 68 5.179 12.063 2.914 1.00 1.03 N ATOM 1102 CA TYR A 68 6.212 12.597 2.024 1.00 40.34 C ATOM 1103 C TYR A 68 7.299 13.326 2.834 1.00 52.51 C ATOM 1104 O TYR A 68 7.117 14.471 3.256 1.00 35.53 O ATOM 1105 CB TYR A 68 5.569 13.543 0.998 1.00 14.11 C ATOM 1106 CG TYR A 68 6.541 14.142 -0.003 1.00 52.41 C ATOM 1107 CD1 TYR A 68 7.274 13.328 -0.862 1.00 53.32 C ATOM 1108 CD2 TYR A 68 6.716 15.519 -0.095 1.00 0.34 C ATOM 1109 CE1 TYR A 68 8.147 13.873 -1.783 1.00 33.12 C ATOM 1110 CE2 TYR A 68 7.589 16.067 -1.012 1.00 42.33 C ATOM 1111 CZ TYR A 68 8.305 15.241 -1.852 1.00 31.32 C ATOM 1112 OH TYR A 68 9.170 15.790 -2.774 1.00 14.24 O ATOM 0 H TYR A 68 4.456 12.737 3.164 1.00 1.03 H new ATOM 0 HA TYR A 68 6.687 11.772 1.493 1.00 40.34 H new ATOM 0 HB2 TYR A 68 4.797 12.998 0.454 1.00 14.11 H new ATOM 0 HB3 TYR A 68 5.072 14.353 1.531 1.00 14.11 H new ATOM 0 HD1 TYR A 68 7.158 12.256 -0.807 1.00 53.32 H new ATOM 0 HD2 TYR A 68 6.159 16.170 0.563 1.00 0.34 H new ATOM 0 HE1 TYR A 68 8.704 13.229 -2.447 1.00 33.12 H new ATOM 0 HE2 TYR A 68 7.711 17.138 -1.072 1.00 42.33 H new ATOM 0 HH TYR A 68 9.161 16.766 -2.690 1.00 14.24 H new ATOM 1122 N VAL A 69 8.418 12.644 3.071 1.00 3.05 N ATOM 1123 CA VAL A 69 9.514 13.192 3.886 1.00 55.30 C ATOM 1124 C VAL A 69 10.872 13.003 3.188 1.00 3.44 C ATOM 1125 O VAL A 69 11.138 11.947 2.617 1.00 51.11 O ATOM 1126 CB VAL A 69 9.560 12.522 5.285 1.00 11.50 C ATOM 1127 CG1 VAL A 69 10.683 13.107 6.138 1.00 54.23 C ATOM 1128 CG2 VAL A 69 8.215 12.654 5.999 1.00 31.50 C ATOM 0 H VAL A 69 8.595 11.706 2.711 1.00 3.05 H new ATOM 0 HA VAL A 69 9.321 14.258 4.008 1.00 55.30 H new ATOM 0 HB VAL A 69 9.765 11.461 5.139 1.00 11.50 H new ATOM 0 HG11 VAL A 69 10.692 12.619 7.113 1.00 54.23 H new ATOM 0 HG12 VAL A 69 11.640 12.944 5.642 1.00 54.23 H new ATOM 0 HG13 VAL A 69 10.521 14.177 6.269 1.00 54.23 H new ATOM 0 HG21 VAL A 69 8.274 12.176 6.977 1.00 31.50 H new ATOM 0 HG22 VAL A 69 7.972 13.709 6.124 1.00 31.50 H new ATOM 0 HG23 VAL A 69 7.439 12.171 5.405 1.00 31.50 H new ATOM 1138 N ASP A 70 11.719 14.039 3.227 1.00 11.51 N ATOM 1139 CA ASP A 70 13.049 13.993 2.600 1.00 31.21 C ATOM 1140 C ASP A 70 12.967 13.638 1.104 1.00 54.51 C ATOM 1141 O ASP A 70 13.830 12.939 0.568 1.00 21.32 O ATOM 1142 CB ASP A 70 13.961 13.002 3.343 1.00 13.31 C ATOM 1143 CG ASP A 70 14.347 13.505 4.724 1.00 15.24 C ATOM 1144 OD1 ASP A 70 15.118 14.488 4.807 1.00 22.35 O ATOM 1145 OD2 ASP A 70 13.885 12.939 5.734 1.00 0.44 O ATOM 0 H ASP A 70 11.507 14.924 3.688 1.00 11.51 H new ATOM 0 HA ASP A 70 13.480 14.991 2.674 1.00 31.21 H new ATOM 0 HB2 ASP A 70 13.453 12.042 3.436 1.00 13.31 H new ATOM 0 HB3 ASP A 70 14.863 12.829 2.755 1.00 13.31 H new ATOM 1150 N ASN A 71 11.931 14.157 0.437 1.00 74.14 N ATOM 1151 CA ASN A 71 11.693 13.901 -0.993 1.00 5.12 C ATOM 1152 C ASN A 71 11.444 12.407 -1.280 1.00 62.25 C ATOM 1153 O ASN A 71 11.520 11.960 -2.426 1.00 33.40 O ATOM 1154 CB ASN A 71 12.865 14.427 -1.835 1.00 53.54 C ATOM 1155 CG ASN A 71 13.081 15.918 -1.645 1.00 64.33 C ATOM 1156 OD1 ASN A 71 12.472 16.741 -2.328 1.00 73.41 O ATOM 1157 ND2 ASN A 71 13.950 16.283 -0.724 1.00 62.03 N ATOM 0 H ASN A 71 11.234 14.765 0.868 1.00 74.14 H new ATOM 0 HA ASN A 71 10.787 14.438 -1.274 1.00 5.12 H new ATOM 0 HB2 ASN A 71 13.775 13.892 -1.563 1.00 53.54 H new ATOM 0 HB3 ASN A 71 12.676 14.220 -2.888 1.00 53.54 H new ATOM 0 HD21 ASN A 71 14.134 17.273 -0.560 1.00 62.03 H new ATOM 0 HD22 ASN A 71 14.438 15.576 -0.175 1.00 62.03 H new ATOM 1164 N MET A 72 11.121 11.645 -0.235 1.00 33.54 N ATOM 1165 CA MET A 72 10.845 10.209 -0.365 1.00 13.51 C ATOM 1166 C MET A 72 9.496 9.833 0.275 1.00 65.31 C ATOM 1167 O MET A 72 8.989 10.538 1.152 1.00 33.34 O ATOM 1168 CB MET A 72 11.978 9.391 0.273 1.00 24.34 C ATOM 1169 CG MET A 72 13.340 9.617 -0.376 1.00 13.32 C ATOM 1170 SD MET A 72 14.632 8.556 0.305 1.00 52.14 S ATOM 1171 CE MET A 72 14.630 9.067 2.024 1.00 14.15 C ATOM 0 H MET A 72 11.043 11.999 0.718 1.00 33.54 H new ATOM 0 HA MET A 72 10.788 9.976 -1.428 1.00 13.51 H new ATOM 0 HB2 MET A 72 12.044 9.643 1.332 1.00 24.34 H new ATOM 0 HB3 MET A 72 11.728 8.332 0.212 1.00 24.34 H new ATOM 0 HG2 MET A 72 13.259 9.439 -1.448 1.00 13.32 H new ATOM 0 HG3 MET A 72 13.629 10.660 -0.247 1.00 13.32 H new ATOM 0 HE1 MET A 72 15.536 8.707 2.512 1.00 14.15 H new ATOM 0 HE2 MET A 72 14.596 10.155 2.080 1.00 14.15 H new ATOM 0 HE3 MET A 72 13.757 8.650 2.526 1.00 14.15 H new ATOM 1181 N TYR A 73 8.923 8.718 -0.172 1.00 33.33 N ATOM 1182 CA TYR A 73 7.616 8.254 0.317 1.00 21.14 C ATOM 1183 C TYR A 73 7.781 7.120 1.344 1.00 33.15 C ATOM 1184 O TYR A 73 8.470 6.132 1.081 1.00 11.44 O ATOM 1185 CB TYR A 73 6.766 7.783 -0.869 1.00 53.34 C ATOM 1186 CG TYR A 73 6.623 8.830 -1.960 1.00 71.44 C ATOM 1187 CD1 TYR A 73 5.669 9.838 -1.868 1.00 62.25 C ATOM 1188 CD2 TYR A 73 7.453 8.816 -3.079 1.00 22.34 C ATOM 1189 CE1 TYR A 73 5.540 10.794 -2.858 1.00 42.21 C ATOM 1190 CE2 TYR A 73 7.330 9.769 -4.070 1.00 23.33 C ATOM 1191 CZ TYR A 73 6.373 10.756 -3.956 1.00 45.30 C ATOM 1192 OH TYR A 73 6.248 11.707 -4.947 1.00 54.14 O ATOM 0 H TYR A 73 9.342 8.112 -0.877 1.00 33.33 H new ATOM 0 HA TYR A 73 7.114 9.083 0.816 1.00 21.14 H new ATOM 0 HB2 TYR A 73 7.214 6.885 -1.294 1.00 53.34 H new ATOM 0 HB3 TYR A 73 5.775 7.506 -0.509 1.00 53.34 H new ATOM 0 HD1 TYR A 73 5.017 9.874 -1.008 1.00 62.25 H new ATOM 0 HD2 TYR A 73 8.205 8.047 -3.173 1.00 22.34 H new ATOM 0 HE1 TYR A 73 4.790 11.567 -2.772 1.00 42.21 H new ATOM 0 HE2 TYR A 73 7.981 9.742 -4.932 1.00 23.33 H new ATOM 0 HH TYR A 73 6.911 11.538 -5.648 1.00 54.14 H new ATOM 1202 N ARG A 74 7.138 7.259 2.507 1.00 3.13 N ATOM 1203 CA ARG A 74 7.329 6.320 3.628 1.00 34.33 C ATOM 1204 C ARG A 74 6.007 5.912 4.298 1.00 24.43 C ATOM 1205 O ARG A 74 4.995 6.590 4.166 1.00 21.15 O ATOM 1206 CB ARG A 74 8.237 6.966 4.681 1.00 44.00 C ATOM 1207 CG ARG A 74 7.847 8.405 5.012 1.00 33.04 C ATOM 1208 CD ARG A 74 8.590 8.937 6.230 1.00 31.40 C ATOM 1209 NE ARG A 74 7.986 8.491 7.486 1.00 14.34 N ATOM 1210 CZ ARG A 74 8.628 8.431 8.620 1.00 42.22 C ATOM 1211 NH1 ARG A 74 9.899 8.641 8.664 1.00 42.12 N ATOM 1212 NH2 ARG A 74 7.998 8.131 9.706 1.00 44.13 N ATOM 0 H ARG A 74 6.479 8.012 2.702 1.00 3.13 H new ATOM 0 HA ARG A 74 7.781 5.418 3.215 1.00 34.33 H new ATOM 0 HB2 ARG A 74 8.206 6.369 5.593 1.00 44.00 H new ATOM 0 HB3 ARG A 74 9.266 6.949 4.323 1.00 44.00 H new ATOM 0 HG2 ARG A 74 8.057 9.043 4.153 1.00 33.04 H new ATOM 0 HG3 ARG A 74 6.773 8.456 5.193 1.00 33.04 H new ATOM 0 HD2 ARG A 74 9.629 8.608 6.192 1.00 31.40 H new ATOM 0 HD3 ARG A 74 8.599 10.027 6.200 1.00 31.40 H new ATOM 0 HE ARG A 74 7.005 8.211 7.474 1.00 14.34 H new ATOM 0 HH11 ARG A 74 10.410 8.856 7.808 1.00 42.12 H new ATOM 0 HH12 ARG A 74 10.393 8.592 9.555 1.00 42.12 H new ATOM 0 HH21 ARG A 74 6.996 7.940 9.678 1.00 44.13 H new ATOM 0 HH22 ARG A 74 8.502 8.085 10.592 1.00 44.13 H new ATOM 1226 N PHE A 75 6.045 4.793 5.028 1.00 2.20 N ATOM 1227 CA PHE A 75 4.914 4.355 5.865 1.00 53.22 C ATOM 1228 C PHE A 75 5.200 4.613 7.357 1.00 14.12 C ATOM 1229 O PHE A 75 4.490 5.369 8.023 1.00 2.13 O ATOM 1230 CB PHE A 75 4.637 2.854 5.669 1.00 22.33 C ATOM 1231 CG PHE A 75 4.033 2.487 4.334 1.00 33.20 C ATOM 1232 CD1 PHE A 75 2.717 2.818 4.042 1.00 25.34 C ATOM 1233 CD2 PHE A 75 4.768 1.788 3.387 1.00 10.03 C ATOM 1234 CE1 PHE A 75 2.150 2.462 2.833 1.00 62.13 C ATOM 1235 CE2 PHE A 75 4.205 1.433 2.174 1.00 30.33 C ATOM 1236 CZ PHE A 75 2.894 1.769 1.899 1.00 31.21 C ATOM 0 H PHE A 75 6.850 4.168 5.059 1.00 2.20 H new ATOM 0 HA PHE A 75 4.042 4.931 5.557 1.00 53.22 H new ATOM 0 HB2 PHE A 75 5.573 2.308 5.790 1.00 22.33 H new ATOM 0 HB3 PHE A 75 3.966 2.517 6.460 1.00 22.33 H new ATOM 0 HD1 PHE A 75 2.129 3.360 4.768 1.00 25.34 H new ATOM 0 HD2 PHE A 75 5.792 1.518 3.599 1.00 10.03 H new ATOM 0 HE1 PHE A 75 1.125 2.726 2.619 1.00 62.13 H new ATOM 0 HE2 PHE A 75 4.790 0.894 1.443 1.00 30.33 H new ATOM 0 HZ PHE A 75 2.451 1.490 0.954 1.00 31.21 H new ATOM 1246 N GLU A 76 6.239 3.957 7.879 1.00 22.45 N ATOM 1247 CA GLU A 76 6.602 4.058 9.303 1.00 12.43 C ATOM 1248 C GLU A 76 7.985 4.708 9.501 1.00 65.44 C ATOM 1249 O GLU A 76 8.163 5.550 10.384 1.00 50.24 O ATOM 1250 CB GLU A 76 6.589 2.657 9.939 1.00 1.44 C ATOM 1251 CG GLU A 76 6.887 2.641 11.440 1.00 43.12 C ATOM 1252 CD GLU A 76 5.804 3.316 12.271 1.00 15.02 C ATOM 1253 OE1 GLU A 76 4.693 2.753 12.377 1.00 45.14 O ATOM 1254 OE2 GLU A 76 6.057 4.407 12.827 1.00 42.41 O ATOM 0 H GLU A 76 6.850 3.346 7.337 1.00 22.45 H new ATOM 0 HA GLU A 76 5.865 4.697 9.790 1.00 12.43 H new ATOM 0 HB2 GLU A 76 5.612 2.204 9.770 1.00 1.44 H new ATOM 0 HB3 GLU A 76 7.323 2.033 9.429 1.00 1.44 H new ATOM 0 HG2 GLU A 76 7.000 1.609 11.771 1.00 43.12 H new ATOM 0 HG3 GLU A 76 7.839 3.140 11.621 1.00 43.12 H new ATOM 1261 N GLY A 77 8.964 4.306 8.690 1.00 3.11 N ATOM 1262 CA GLY A 77 10.322 4.840 8.825 1.00 2.41 C ATOM 1263 C GLY A 77 10.920 5.331 7.507 1.00 64.03 C ATOM 1264 O GLY A 77 10.432 6.289 6.916 1.00 70.12 O ATOM 0 H GLY A 77 8.847 3.622 7.942 1.00 3.11 H new ATOM 0 HA2 GLY A 77 10.310 5.664 9.538 1.00 2.41 H new ATOM 0 HA3 GLY A 77 10.968 4.067 9.242 1.00 2.41 H new ATOM 1268 N THR A 78 11.976 4.658 7.045 1.00 73.43 N ATOM 1269 CA THR A 78 12.709 5.073 5.836 1.00 1.55 C ATOM 1270 C THR A 78 11.819 5.066 4.582 1.00 42.14 C ATOM 1271 O THR A 78 11.149 4.074 4.286 1.00 42.11 O ATOM 1272 CB THR A 78 13.936 4.161 5.581 1.00 34.32 C ATOM 1273 OG1 THR A 78 14.818 4.192 6.714 1.00 32.42 O ATOM 1274 CG2 THR A 78 14.704 4.589 4.333 1.00 12.34 C ATOM 0 H THR A 78 12.348 3.818 7.489 1.00 73.43 H new ATOM 0 HA THR A 78 13.041 6.094 6.022 1.00 1.55 H new ATOM 0 HB THR A 78 13.565 3.148 5.426 1.00 34.32 H new ATOM 0 HG1 THR A 78 15.589 3.612 6.544 1.00 32.42 H new ATOM 0 HG21 THR A 78 15.557 3.927 4.186 1.00 12.34 H new ATOM 0 HG22 THR A 78 14.047 4.533 3.465 1.00 12.34 H new ATOM 0 HG23 THR A 78 15.056 5.613 4.456 1.00 12.34 H new ATOM 1282 N GLY A 79 11.822 6.183 3.855 1.00 10.04 N ATOM 1283 CA GLY A 79 11.055 6.286 2.619 1.00 61.21 C ATOM 1284 C GLY A 79 11.883 6.005 1.370 1.00 30.03 C ATOM 1285 O GLY A 79 13.110 5.947 1.427 1.00 15.13 O ATOM 0 H GLY A 79 12.345 7.024 4.101 1.00 10.04 H new ATOM 0 HA2 GLY A 79 10.220 5.586 2.658 1.00 61.21 H new ATOM 0 HA3 GLY A 79 10.629 7.287 2.546 1.00 61.21 H new ATOM 1289 N PHE A 80 11.208 5.837 0.232 1.00 41.31 N ATOM 1290 CA PHE A 80 11.886 5.557 -1.041 1.00 13.34 C ATOM 1291 C PHE A 80 11.620 6.655 -2.081 1.00 71.35 C ATOM 1292 O PHE A 80 10.577 7.313 -2.058 1.00 10.12 O ATOM 1293 CB PHE A 80 11.458 4.186 -1.580 1.00 3.31 C ATOM 1294 CG PHE A 80 11.966 3.039 -0.741 1.00 23.11 C ATOM 1295 CD1 PHE A 80 11.338 2.696 0.445 1.00 71.33 C ATOM 1296 CD2 PHE A 80 13.079 2.312 -1.136 1.00 63.01 C ATOM 1297 CE1 PHE A 80 11.807 1.655 1.221 1.00 43.13 C ATOM 1298 CE2 PHE A 80 13.552 1.269 -0.365 1.00 13.32 C ATOM 1299 CZ PHE A 80 12.915 0.939 0.815 1.00 25.41 C ATOM 0 H PHE A 80 10.192 5.889 0.163 1.00 41.31 H new ATOM 0 HA PHE A 80 12.959 5.543 -0.851 1.00 13.34 H new ATOM 0 HB2 PHE A 80 10.370 4.143 -1.624 1.00 3.31 H new ATOM 0 HB3 PHE A 80 11.824 4.072 -2.601 1.00 3.31 H new ATOM 0 HD1 PHE A 80 10.469 3.251 0.767 1.00 71.33 H new ATOM 0 HD2 PHE A 80 13.582 2.565 -2.058 1.00 63.01 H new ATOM 0 HE1 PHE A 80 11.308 1.401 2.144 1.00 43.13 H new ATOM 0 HE2 PHE A 80 14.420 0.711 -0.685 1.00 13.32 H new ATOM 0 HZ PHE A 80 13.283 0.123 1.419 1.00 25.41 H new ATOM 1309 N SER A 81 12.572 6.832 -2.995 1.00 63.33 N ATOM 1310 CA SER A 81 12.527 7.913 -3.999 1.00 62.22 C ATOM 1311 C SER A 81 11.272 7.848 -4.887 1.00 33.31 C ATOM 1312 O SER A 81 10.874 8.846 -5.489 1.00 13.20 O ATOM 1313 CB SER A 81 13.788 7.864 -4.878 1.00 70.21 C ATOM 1314 OG SER A 81 14.970 7.923 -4.089 1.00 11.32 O ATOM 0 H SER A 81 13.397 6.237 -3.067 1.00 63.33 H new ATOM 0 HA SER A 81 12.486 8.855 -3.452 1.00 62.22 H new ATOM 0 HB2 SER A 81 13.787 6.947 -5.468 1.00 70.21 H new ATOM 0 HB3 SER A 81 13.776 8.696 -5.582 1.00 70.21 H new ATOM 0 HG SER A 81 15.756 7.888 -4.674 1.00 11.32 H new ATOM 1320 N ASN A 82 10.659 6.668 -4.976 1.00 10.22 N ATOM 1321 CA ASN A 82 9.420 6.483 -5.747 1.00 72.10 C ATOM 1322 C ASN A 82 8.435 5.567 -5.011 1.00 41.21 C ATOM 1323 O ASN A 82 8.838 4.587 -4.379 1.00 31.15 O ATOM 1324 CB ASN A 82 9.712 5.892 -7.134 1.00 40.13 C ATOM 1325 CG ASN A 82 10.444 6.854 -8.045 1.00 73.53 C ATOM 1326 OD1 ASN A 82 9.829 7.671 -8.718 1.00 50.44 O ATOM 1327 ND2 ASN A 82 11.754 6.761 -8.091 1.00 33.42 N ATOM 0 H ASN A 82 10.999 5.819 -4.523 1.00 10.22 H new ATOM 0 HA ASN A 82 8.971 7.469 -5.863 1.00 72.10 H new ATOM 0 HB2 ASN A 82 10.307 4.986 -7.019 1.00 40.13 H new ATOM 0 HB3 ASN A 82 8.773 5.599 -7.603 1.00 40.13 H new ATOM 0 HD21 ASN A 82 12.288 7.381 -8.700 1.00 33.42 H new ATOM 0 HD22 ASN A 82 12.237 6.069 -7.517 1.00 33.42 H new ATOM 1334 N ILE A 83 7.144 5.881 -5.117 1.00 24.23 N ATOM 1335 CA ILE A 83 6.083 5.051 -4.529 1.00 53.50 C ATOM 1336 C ILE A 83 6.170 3.586 -5.013 1.00 42.54 C ATOM 1337 O ILE A 83 6.147 2.661 -4.196 1.00 52.30 O ATOM 1338 CB ILE A 83 4.674 5.627 -4.849 1.00 72.54 C ATOM 1339 CG1 ILE A 83 4.539 7.054 -4.296 1.00 51.43 C ATOM 1340 CG2 ILE A 83 3.568 4.724 -4.295 1.00 14.12 C ATOM 1341 CD1 ILE A 83 3.220 7.718 -4.630 1.00 33.31 C ATOM 0 H ILE A 83 6.803 6.708 -5.607 1.00 24.23 H new ATOM 0 HA ILE A 83 6.233 5.066 -3.449 1.00 53.50 H new ATOM 0 HB ILE A 83 4.562 5.663 -5.933 1.00 72.54 H new ATOM 0 HG12 ILE A 83 4.657 7.026 -3.213 1.00 51.43 H new ATOM 0 HG13 ILE A 83 5.352 7.664 -4.689 1.00 51.43 H new ATOM 0 HG21 ILE A 83 2.595 5.152 -4.534 1.00 14.12 H new ATOM 0 HG22 ILE A 83 3.649 3.734 -4.743 1.00 14.12 H new ATOM 0 HG23 ILE A 83 3.673 4.643 -3.213 1.00 14.12 H new ATOM 0 HD11 ILE A 83 3.200 8.722 -4.206 1.00 33.31 H new ATOM 0 HD12 ILE A 83 3.107 7.779 -5.712 1.00 33.31 H new ATOM 0 HD13 ILE A 83 2.401 7.131 -4.213 1.00 33.31 H new ATOM 1353 N PRO A 84 6.272 3.338 -6.347 1.00 54.32 N ATOM 1354 CA PRO A 84 6.448 1.974 -6.879 1.00 35.43 C ATOM 1355 C PRO A 84 7.644 1.235 -6.260 1.00 22.14 C ATOM 1356 O PRO A 84 7.576 0.034 -6.025 1.00 24.23 O ATOM 1357 CB PRO A 84 6.647 2.187 -8.394 1.00 72.33 C ATOM 1358 CG PRO A 84 6.930 3.644 -8.554 1.00 32.14 C ATOM 1359 CD PRO A 84 6.184 4.326 -7.440 1.00 71.41 C ATOM 0 HA PRO A 84 5.592 1.342 -6.642 1.00 35.43 H new ATOM 0 HB2 PRO A 84 7.472 1.583 -8.771 1.00 72.33 H new ATOM 0 HB3 PRO A 84 5.757 1.896 -8.952 1.00 72.33 H new ATOM 0 HG2 PRO A 84 7.999 3.845 -8.490 1.00 32.14 H new ATOM 0 HG3 PRO A 84 6.596 4.004 -9.527 1.00 32.14 H new ATOM 0 HD2 PRO A 84 6.643 5.276 -7.166 1.00 71.41 H new ATOM 0 HD3 PRO A 84 5.150 4.538 -7.714 1.00 71.41 H new ATOM 1367 N GLN A 85 8.732 1.956 -5.983 1.00 12.20 N ATOM 1368 CA GLN A 85 9.925 1.349 -5.374 1.00 30.53 C ATOM 1369 C GLN A 85 9.715 1.038 -3.883 1.00 51.11 C ATOM 1370 O GLN A 85 10.281 0.081 -3.356 1.00 33.54 O ATOM 1371 CB GLN A 85 11.142 2.260 -5.568 1.00 13.41 C ATOM 1372 CG GLN A 85 11.578 2.384 -7.025 1.00 33.21 C ATOM 1373 CD GLN A 85 12.026 1.056 -7.624 1.00 2.01 C ATOM 1374 OE1 GLN A 85 13.196 0.694 -7.561 1.00 33.24 O ATOM 1375 NE2 GLN A 85 11.098 0.317 -8.204 1.00 32.41 N ATOM 0 H GLN A 85 8.815 2.956 -6.168 1.00 12.20 H new ATOM 0 HA GLN A 85 10.106 0.400 -5.880 1.00 30.53 H new ATOM 0 HB2 GLN A 85 10.910 3.252 -5.180 1.00 13.41 H new ATOM 0 HB3 GLN A 85 11.974 1.874 -4.979 1.00 13.41 H new ATOM 0 HG2 GLN A 85 10.752 2.782 -7.614 1.00 33.21 H new ATOM 0 HG3 GLN A 85 12.395 3.103 -7.095 1.00 33.21 H new ATOM 0 HE21 GLN A 85 10.133 0.646 -8.240 1.00 32.41 H new ATOM 0 HE22 GLN A 85 11.346 -0.583 -8.616 1.00 32.41 H new ATOM 1384 N LEU A 86 8.911 1.859 -3.209 1.00 1.51 N ATOM 1385 CA LEU A 86 8.518 1.604 -1.817 1.00 53.32 C ATOM 1386 C LEU A 86 7.795 0.247 -1.689 1.00 4.55 C ATOM 1387 O LEU A 86 8.212 -0.631 -0.916 1.00 72.13 O ATOM 1388 CB LEU A 86 7.616 2.751 -1.324 1.00 73.10 C ATOM 1389 CG LEU A 86 6.983 2.572 0.068 1.00 54.31 C ATOM 1390 CD1 LEU A 86 8.051 2.415 1.147 1.00 20.23 C ATOM 1391 CD2 LEU A 86 6.066 3.754 0.387 1.00 71.04 C ATOM 0 H LEU A 86 8.515 2.712 -3.604 1.00 1.51 H new ATOM 0 HA LEU A 86 9.413 1.560 -1.197 1.00 53.32 H new ATOM 0 HB2 LEU A 86 8.203 3.669 -1.317 1.00 73.10 H new ATOM 0 HB3 LEU A 86 6.814 2.891 -2.049 1.00 73.10 H new ATOM 0 HG LEU A 86 6.389 1.658 0.055 1.00 54.31 H new ATOM 0 HD11 LEU A 86 7.572 2.291 2.118 1.00 20.23 H new ATOM 0 HD12 LEU A 86 8.662 1.539 0.929 1.00 20.23 H new ATOM 0 HD13 LEU A 86 8.683 3.303 1.165 1.00 20.23 H new ATOM 0 HD21 LEU A 86 5.624 3.616 1.374 1.00 71.04 H new ATOM 0 HD22 LEU A 86 6.645 4.677 0.375 1.00 71.04 H new ATOM 0 HD23 LEU A 86 5.274 3.812 -0.360 1.00 71.04 H new ATOM 1403 N ILE A 87 6.721 0.082 -2.462 1.00 1.14 N ATOM 1404 CA ILE A 87 5.975 -1.180 -2.499 1.00 4.33 C ATOM 1405 C ILE A 87 6.858 -2.326 -3.022 1.00 1.21 C ATOM 1406 O ILE A 87 6.903 -3.403 -2.430 1.00 43.54 O ATOM 1407 CB ILE A 87 4.706 -1.055 -3.385 1.00 14.43 C ATOM 1408 CG1 ILE A 87 3.795 0.071 -2.864 1.00 24.41 C ATOM 1409 CG2 ILE A 87 3.946 -2.383 -3.442 1.00 51.54 C ATOM 1410 CD1 ILE A 87 3.295 -0.142 -1.447 1.00 61.33 C ATOM 0 H ILE A 87 6.346 0.808 -3.073 1.00 1.14 H new ATOM 0 HA ILE A 87 5.669 -1.406 -1.478 1.00 4.33 H new ATOM 0 HB ILE A 87 5.021 -0.804 -4.398 1.00 14.43 H new ATOM 0 HG12 ILE A 87 4.340 1.014 -2.908 1.00 24.41 H new ATOM 0 HG13 ILE A 87 2.937 0.167 -3.530 1.00 24.41 H new ATOM 0 HG21 ILE A 87 3.061 -2.269 -4.069 1.00 51.54 H new ATOM 0 HG22 ILE A 87 4.592 -3.154 -3.862 1.00 51.54 H new ATOM 0 HG23 ILE A 87 3.643 -2.672 -2.436 1.00 51.54 H new ATOM 0 HD11 ILE A 87 2.660 0.695 -1.155 1.00 61.33 H new ATOM 0 HD12 ILE A 87 2.720 -1.067 -1.399 1.00 61.33 H new ATOM 0 HD13 ILE A 87 4.145 -0.207 -0.767 1.00 61.33 H new ATOM 1422 N ASP A 88 7.566 -2.067 -4.122 1.00 52.40 N ATOM 1423 CA ASP A 88 8.494 -3.040 -4.718 1.00 71.33 C ATOM 1424 C ASP A 88 9.483 -3.600 -3.684 1.00 30.10 C ATOM 1425 O ASP A 88 9.624 -4.813 -3.539 1.00 4.10 O ATOM 1426 CB ASP A 88 9.261 -2.375 -5.867 1.00 73.43 C ATOM 1427 CG ASP A 88 10.390 -3.237 -6.407 1.00 54.42 C ATOM 1428 OD1 ASP A 88 10.141 -4.054 -7.314 1.00 42.24 O ATOM 1429 OD2 ASP A 88 11.539 -3.087 -5.934 1.00 74.25 O ATOM 0 H ASP A 88 7.516 -1.182 -4.626 1.00 52.40 H new ATOM 0 HA ASP A 88 7.906 -3.877 -5.095 1.00 71.33 H new ATOM 0 HB2 ASP A 88 8.567 -2.148 -6.676 1.00 73.43 H new ATOM 0 HB3 ASP A 88 9.670 -1.426 -5.522 1.00 73.43 H new ATOM 1434 N HIS A 89 10.161 -2.711 -2.962 1.00 21.13 N ATOM 1435 CA HIS A 89 11.196 -3.120 -2.010 1.00 41.42 C ATOM 1436 C HIS A 89 10.617 -4.016 -0.903 1.00 72.03 C ATOM 1437 O HIS A 89 11.207 -5.036 -0.548 1.00 23.22 O ATOM 1438 CB HIS A 89 11.877 -1.892 -1.395 1.00 31.42 C ATOM 1439 CG HIS A 89 13.180 -2.203 -0.718 1.00 43.24 C ATOM 1440 ND1 HIS A 89 13.298 -2.461 0.631 1.00 2.34 N ATOM 1441 CD2 HIS A 89 14.436 -2.289 -1.222 1.00 3.13 C ATOM 1442 CE1 HIS A 89 14.563 -2.689 0.925 1.00 23.14 C ATOM 1443 NE2 HIS A 89 15.274 -2.592 -0.179 1.00 61.13 N ATOM 0 H HIS A 89 10.014 -1.703 -3.016 1.00 21.13 H new ATOM 0 HA HIS A 89 11.939 -3.699 -2.558 1.00 41.42 H new ATOM 0 HB2 HIS A 89 12.051 -1.154 -2.178 1.00 31.42 H new ATOM 0 HB3 HIS A 89 11.201 -1.436 -0.671 1.00 31.42 H new ATOM 0 HD2 HIS A 89 14.723 -2.146 -2.253 1.00 3.13 H new ATOM 0 HE1 HIS A 89 14.951 -2.917 1.907 1.00 23.14 H new ATOM 0 HE2 HIS A 89 16.283 -2.721 -0.248 1.00 61.13 H new ATOM 1452 N HIS A 90 9.457 -3.640 -0.364 1.00 71.32 N ATOM 1453 CA HIS A 90 8.807 -4.444 0.684 1.00 34.22 C ATOM 1454 C HIS A 90 8.236 -5.762 0.126 1.00 21.22 C ATOM 1455 O HIS A 90 8.290 -6.794 0.790 1.00 22.50 O ATOM 1456 CB HIS A 90 7.711 -3.635 1.396 1.00 61.34 C ATOM 1457 CG HIS A 90 8.255 -2.617 2.362 1.00 55.53 C ATOM 1458 ND1 HIS A 90 8.139 -2.740 3.733 1.00 71.43 N ATOM 1459 CD2 HIS A 90 8.929 -1.458 2.154 1.00 4.13 C ATOM 1460 CE1 HIS A 90 8.713 -1.708 4.318 1.00 2.54 C ATOM 1461 NE2 HIS A 90 9.201 -0.914 3.386 1.00 42.43 N ATOM 0 H HIS A 90 8.949 -2.796 -0.628 1.00 71.32 H new ATOM 0 HA HIS A 90 9.574 -4.703 1.414 1.00 34.22 H new ATOM 0 HB2 HIS A 90 7.101 -3.127 0.649 1.00 61.34 H new ATOM 0 HB3 HIS A 90 7.054 -4.320 1.932 1.00 61.34 H new ATOM 0 HD1 HIS A 90 7.680 -3.511 4.218 1.00 71.43 H new ATOM 0 HD2 HIS A 90 9.202 -1.040 1.196 1.00 4.13 H new ATOM 0 HE1 HIS A 90 8.773 -1.541 5.383 1.00 2.54 H new ATOM 1470 N TYR A 91 7.715 -5.726 -1.098 1.00 51.33 N ATOM 1471 CA TYR A 91 7.139 -6.921 -1.735 1.00 13.51 C ATOM 1472 C TYR A 91 8.229 -7.948 -2.101 1.00 73.20 C ATOM 1473 O TYR A 91 8.107 -9.134 -1.795 1.00 4.32 O ATOM 1474 CB TYR A 91 6.343 -6.520 -2.987 1.00 63.40 C ATOM 1475 CG TYR A 91 5.584 -7.666 -3.641 1.00 24.23 C ATOM 1476 CD1 TYR A 91 4.336 -8.063 -3.165 1.00 61.13 C ATOM 1477 CD2 TYR A 91 6.107 -8.346 -4.738 1.00 55.13 C ATOM 1478 CE1 TYR A 91 3.639 -9.101 -3.758 1.00 3.41 C ATOM 1479 CE2 TYR A 91 5.415 -9.385 -5.335 1.00 14.31 C ATOM 1480 CZ TYR A 91 4.181 -9.758 -4.842 1.00 33.43 C ATOM 1481 OH TYR A 91 3.487 -10.791 -5.433 1.00 1.12 O ATOM 0 H TYR A 91 7.677 -4.885 -1.674 1.00 51.33 H new ATOM 0 HA TYR A 91 6.467 -7.392 -1.018 1.00 13.51 H new ATOM 0 HB2 TYR A 91 5.634 -5.737 -2.717 1.00 63.40 H new ATOM 0 HB3 TYR A 91 7.029 -6.091 -3.717 1.00 63.40 H new ATOM 0 HD1 TYR A 91 3.905 -7.551 -2.317 1.00 61.13 H new ATOM 0 HD2 TYR A 91 7.071 -8.057 -5.130 1.00 55.13 H new ATOM 0 HE1 TYR A 91 2.674 -9.395 -3.373 1.00 3.41 H new ATOM 0 HE2 TYR A 91 5.839 -9.902 -6.183 1.00 14.31 H new ATOM 0 HH TYR A 91 4.006 -11.146 -6.184 1.00 1.12 H new ATOM 1491 N THR A 92 9.295 -7.483 -2.751 1.00 44.01 N ATOM 1492 CA THR A 92 10.421 -8.350 -3.148 1.00 71.42 C ATOM 1493 C THR A 92 11.124 -8.973 -1.933 1.00 71.21 C ATOM 1494 O THR A 92 11.495 -10.149 -1.951 1.00 22.31 O ATOM 1495 CB THR A 92 11.466 -7.575 -3.986 1.00 54.34 C ATOM 1496 OG1 THR A 92 11.898 -6.403 -3.272 1.00 52.20 O ATOM 1497 CG2 THR A 92 10.892 -7.169 -5.342 1.00 62.22 C ATOM 0 H THR A 92 9.409 -6.505 -3.019 1.00 44.01 H new ATOM 0 HA THR A 92 9.989 -9.147 -3.753 1.00 71.42 H new ATOM 0 HB THR A 92 12.318 -8.233 -4.156 1.00 54.34 H new ATOM 0 HG1 THR A 92 11.196 -5.721 -3.308 1.00 52.20 H new ATOM 0 HG21 THR A 92 11.648 -6.626 -5.909 1.00 62.22 H new ATOM 0 HG22 THR A 92 10.596 -8.061 -5.894 1.00 62.22 H new ATOM 0 HG23 THR A 92 10.022 -6.529 -5.192 1.00 62.22 H new ATOM 1505 N THR A 93 11.328 -8.174 -0.888 1.00 12.25 N ATOM 1506 CA THR A 93 11.890 -8.690 0.374 1.00 75.04 C ATOM 1507 C THR A 93 10.843 -9.478 1.170 1.00 21.10 C ATOM 1508 O THR A 93 11.183 -10.259 2.062 1.00 72.43 O ATOM 1509 CB THR A 93 12.445 -7.557 1.272 1.00 45.34 C ATOM 1510 OG1 THR A 93 11.388 -6.658 1.656 1.00 2.13 O ATOM 1511 CG2 THR A 93 13.546 -6.777 0.555 1.00 21.23 C ATOM 0 H THR A 93 11.118 -7.176 -0.882 1.00 12.25 H new ATOM 0 HA THR A 93 12.710 -9.350 0.091 1.00 75.04 H new ATOM 0 HB THR A 93 12.869 -8.017 2.164 1.00 45.34 H new ATOM 0 HG1 THR A 93 11.129 -6.110 0.886 1.00 2.13 H new ATOM 0 HG21 THR A 93 13.917 -5.988 1.209 1.00 21.23 H new ATOM 0 HG22 THR A 93 14.363 -7.452 0.300 1.00 21.23 H new ATOM 0 HG23 THR A 93 13.144 -6.334 -0.356 1.00 21.23 H new ATOM 1519 N LYS A 94 9.569 -9.262 0.829 1.00 74.34 N ATOM 1520 CA LYS A 94 8.437 -9.924 1.490 1.00 32.12 C ATOM 1521 C LYS A 94 8.373 -9.547 2.982 1.00 75.24 C ATOM 1522 O LYS A 94 7.876 -10.307 3.816 1.00 24.14 O ATOM 1523 CB LYS A 94 8.530 -11.449 1.306 1.00 42.12 C ATOM 1524 CG LYS A 94 7.197 -12.180 1.464 1.00 25.00 C ATOM 1525 CD LYS A 94 6.194 -11.762 0.389 1.00 33.35 C ATOM 1526 CE LYS A 94 4.885 -12.541 0.489 1.00 2.31 C ATOM 1527 NZ LYS A 94 5.089 -14.004 0.313 1.00 64.53 N ATOM 0 H LYS A 94 9.292 -8.622 0.085 1.00 74.34 H new ATOM 0 HA LYS A 94 7.514 -9.579 1.024 1.00 32.12 H new ATOM 0 HB2 LYS A 94 8.933 -11.661 0.315 1.00 42.12 H new ATOM 0 HB3 LYS A 94 9.239 -11.849 2.031 1.00 42.12 H new ATOM 0 HG2 LYS A 94 7.363 -13.256 1.409 1.00 25.00 H new ATOM 0 HG3 LYS A 94 6.782 -11.972 2.450 1.00 25.00 H new ATOM 0 HD2 LYS A 94 5.988 -10.696 0.481 1.00 33.35 H new ATOM 0 HD3 LYS A 94 6.634 -11.918 -0.596 1.00 33.35 H new ATOM 0 HE2 LYS A 94 4.426 -12.354 1.460 1.00 2.31 H new ATOM 0 HE3 LYS A 94 4.189 -12.179 -0.268 1.00 2.31 H new ATOM 0 HZ1 LYS A 94 4.169 -14.468 0.168 1.00 64.53 H new ATOM 0 HZ2 LYS A 94 5.696 -14.173 -0.514 1.00 64.53 H new ATOM 0 HZ3 LYS A 94 5.544 -14.396 1.162 1.00 64.53 H new ATOM 1541 N GLN A 95 8.861 -8.352 3.304 1.00 50.23 N ATOM 1542 CA GLN A 95 8.859 -7.849 4.682 1.00 21.13 C ATOM 1543 C GLN A 95 7.579 -7.065 4.995 1.00 53.44 C ATOM 1544 O GLN A 95 6.838 -6.667 4.094 1.00 43.55 O ATOM 1545 CB GLN A 95 10.092 -6.971 4.930 1.00 33.44 C ATOM 1546 CG GLN A 95 11.401 -7.755 4.976 1.00 31.25 C ATOM 1547 CD GLN A 95 11.481 -8.690 6.173 1.00 55.35 C ATOM 1548 OE1 GLN A 95 11.052 -9.840 6.115 1.00 51.22 O ATOM 1549 NE2 GLN A 95 12.028 -8.208 7.271 1.00 41.42 N ATOM 0 H GLN A 95 9.267 -7.707 2.626 1.00 50.23 H new ATOM 0 HA GLN A 95 8.893 -8.710 5.349 1.00 21.13 H new ATOM 0 HB2 GLN A 95 10.156 -6.219 4.144 1.00 33.44 H new ATOM 0 HB3 GLN A 95 9.964 -6.438 5.872 1.00 33.44 H new ATOM 0 HG2 GLN A 95 11.505 -8.335 4.059 1.00 31.25 H new ATOM 0 HG3 GLN A 95 12.237 -7.057 5.008 1.00 31.25 H new ATOM 0 HE21 GLN A 95 12.375 -7.249 7.289 1.00 41.42 H new ATOM 0 HE22 GLN A 95 12.104 -8.794 8.103 1.00 41.42 H new ATOM 1558 N VAL A 96 7.336 -6.834 6.283 1.00 14.11 N ATOM 1559 CA VAL A 96 6.123 -6.145 6.736 1.00 73.40 C ATOM 1560 C VAL A 96 6.123 -4.649 6.375 1.00 54.24 C ATOM 1561 O VAL A 96 7.146 -4.082 5.978 1.00 32.22 O ATOM 1562 CB VAL A 96 5.935 -6.293 8.269 1.00 62.24 C ATOM 1563 CG1 VAL A 96 5.862 -7.766 8.664 1.00 1.32 C ATOM 1564 CG2 VAL A 96 7.052 -5.577 9.029 1.00 64.24 C ATOM 0 H VAL A 96 7.964 -7.114 7.037 1.00 14.11 H new ATOM 0 HA VAL A 96 5.294 -6.623 6.214 1.00 73.40 H new ATOM 0 HB VAL A 96 4.991 -5.822 8.542 1.00 62.24 H new ATOM 0 HG11 VAL A 96 5.730 -7.847 9.743 1.00 1.32 H new ATOM 0 HG12 VAL A 96 5.019 -8.237 8.159 1.00 1.32 H new ATOM 0 HG13 VAL A 96 6.785 -8.267 8.373 1.00 1.32 H new ATOM 0 HG21 VAL A 96 6.897 -5.696 10.101 1.00 64.24 H new ATOM 0 HG22 VAL A 96 8.014 -6.007 8.752 1.00 64.24 H new ATOM 0 HG23 VAL A 96 7.042 -4.517 8.776 1.00 64.24 H new ATOM 1574 N ILE A 97 4.956 -4.021 6.505 1.00 44.00 N ATOM 1575 CA ILE A 97 4.818 -2.575 6.306 1.00 73.11 C ATOM 1576 C ILE A 97 5.131 -1.805 7.601 1.00 5.25 C ATOM 1577 O ILE A 97 6.103 -1.052 7.668 1.00 23.04 O ATOM 1578 CB ILE A 97 3.391 -2.218 5.813 1.00 24.13 C ATOM 1579 CG1 ILE A 97 3.097 -2.915 4.473 1.00 4.14 C ATOM 1580 CG2 ILE A 97 3.222 -0.706 5.680 1.00 3.14 C ATOM 1581 CD1 ILE A 97 4.025 -2.501 3.347 1.00 34.51 C ATOM 0 H ILE A 97 4.085 -4.493 6.749 1.00 44.00 H new ATOM 0 HA ILE A 97 5.538 -2.279 5.543 1.00 73.11 H new ATOM 0 HB ILE A 97 2.675 -2.573 6.554 1.00 24.13 H new ATOM 0 HG12 ILE A 97 3.170 -3.994 4.612 1.00 4.14 H new ATOM 0 HG13 ILE A 97 2.069 -2.700 4.181 1.00 4.14 H new ATOM 0 HG21 ILE A 97 2.213 -0.482 5.333 1.00 3.14 H new ATOM 0 HG22 ILE A 97 3.385 -0.235 6.649 1.00 3.14 H new ATOM 0 HG23 ILE A 97 3.947 -0.321 4.963 1.00 3.14 H new ATOM 0 HD11 ILE A 97 3.754 -3.036 2.437 1.00 34.51 H new ATOM 0 HD12 ILE A 97 3.936 -1.428 3.178 1.00 34.51 H new ATOM 0 HD13 ILE A 97 5.053 -2.742 3.616 1.00 34.51 H new ATOM 1593 N THR A 98 4.298 -1.997 8.628 1.00 34.12 N ATOM 1594 CA THR A 98 4.528 -1.389 9.951 1.00 12.12 C ATOM 1595 C THR A 98 4.593 -2.463 11.045 1.00 44.34 C ATOM 1596 O THR A 98 3.817 -3.422 11.036 1.00 62.31 O ATOM 1597 CB THR A 98 3.416 -0.379 10.338 1.00 3.52 C ATOM 1598 OG1 THR A 98 2.160 -1.059 10.491 1.00 75.13 O ATOM 1599 CG2 THR A 98 3.275 0.725 9.290 1.00 20.51 C ATOM 0 H THR A 98 3.455 -2.569 8.573 1.00 34.12 H new ATOM 0 HA THR A 98 5.479 -0.861 9.877 1.00 12.12 H new ATOM 0 HB THR A 98 3.701 0.081 11.284 1.00 3.52 H new ATOM 0 HG1 THR A 98 1.613 -0.920 9.690 1.00 75.13 H new ATOM 0 HG21 THR A 98 2.487 1.415 9.592 1.00 20.51 H new ATOM 0 HG22 THR A 98 4.217 1.266 9.202 1.00 20.51 H new ATOM 0 HG23 THR A 98 3.020 0.282 8.327 1.00 20.51 H new ATOM 1607 N LYS A 99 5.510 -2.295 11.996 1.00 31.53 N ATOM 1608 CA LYS A 99 5.667 -3.243 13.108 1.00 64.31 C ATOM 1609 C LYS A 99 4.419 -3.260 14.008 1.00 51.41 C ATOM 1610 O LYS A 99 4.146 -4.247 14.691 1.00 24.02 O ATOM 1611 CB LYS A 99 6.912 -2.883 13.936 1.00 54.42 C ATOM 1612 CG LYS A 99 8.235 -2.971 13.164 1.00 64.51 C ATOM 1613 CD LYS A 99 8.888 -4.356 13.246 1.00 1.23 C ATOM 1614 CE LYS A 99 8.065 -5.443 12.561 1.00 71.24 C ATOM 1615 NZ LYS A 99 8.752 -6.760 12.597 1.00 43.10 N ATOM 0 H LYS A 99 6.160 -1.509 12.022 1.00 31.53 H new ATOM 0 HA LYS A 99 5.791 -4.241 12.687 1.00 64.31 H new ATOM 0 HB2 LYS A 99 6.797 -1.870 14.321 1.00 54.42 H new ATOM 0 HB3 LYS A 99 6.964 -3.547 14.799 1.00 54.42 H new ATOM 0 HG2 LYS A 99 8.056 -2.722 12.118 1.00 64.51 H new ATOM 0 HG3 LYS A 99 8.927 -2.226 13.555 1.00 64.51 H new ATOM 0 HD2 LYS A 99 9.876 -4.314 12.789 1.00 1.23 H new ATOM 0 HD3 LYS A 99 9.032 -4.622 14.293 1.00 1.23 H new ATOM 0 HE2 LYS A 99 7.094 -5.526 13.049 1.00 71.24 H new ATOM 0 HE3 LYS A 99 7.878 -5.159 11.525 1.00 71.24 H new ATOM 0 HZ1 LYS A 99 8.162 -7.472 12.122 1.00 43.10 H new ATOM 0 HZ2 LYS A 99 9.667 -6.687 12.109 1.00 43.10 H new ATOM 0 HZ3 LYS A 99 8.908 -7.043 13.585 1.00 43.10 H new ATOM 1629 N LYS A 100 3.668 -2.160 13.995 1.00 13.13 N ATOM 1630 CA LYS A 100 2.424 -2.051 14.766 1.00 54.41 C ATOM 1631 C LYS A 100 1.379 -3.096 14.332 1.00 61.41 C ATOM 1632 O LYS A 100 0.625 -3.614 15.159 1.00 73.34 O ATOM 1633 CB LYS A 100 1.827 -0.639 14.624 1.00 75.12 C ATOM 1634 CG LYS A 100 2.701 0.502 15.164 1.00 12.40 C ATOM 1635 CD LYS A 100 2.692 0.599 16.696 1.00 10.52 C ATOM 1636 CE LYS A 100 3.567 -0.459 17.362 1.00 51.02 C ATOM 1637 NZ LYS A 100 3.523 -0.371 18.845 1.00 23.33 N ATOM 0 H LYS A 100 3.899 -1.325 13.456 1.00 13.13 H new ATOM 0 HA LYS A 100 2.677 -2.242 15.809 1.00 54.41 H new ATOM 0 HB2 LYS A 100 1.626 -0.452 13.569 1.00 75.12 H new ATOM 0 HB3 LYS A 100 0.867 -0.615 15.140 1.00 75.12 H new ATOM 0 HG2 LYS A 100 3.726 0.359 14.822 1.00 12.40 H new ATOM 0 HG3 LYS A 100 2.354 1.446 14.745 1.00 12.40 H new ATOM 0 HD2 LYS A 100 3.037 1.589 16.995 1.00 10.52 H new ATOM 0 HD3 LYS A 100 1.668 0.496 17.056 1.00 10.52 H new ATOM 0 HE2 LYS A 100 3.238 -1.450 17.049 1.00 51.02 H new ATOM 0 HE3 LYS A 100 4.596 -0.343 17.023 1.00 51.02 H new ATOM 0 HZ1 LYS A 100 4.132 -1.108 19.255 1.00 23.33 H new ATOM 0 HZ2 LYS A 100 3.861 0.565 19.147 1.00 23.33 H new ATOM 0 HZ3 LYS A 100 2.545 -0.508 19.172 1.00 23.33 H new ATOM 1651 N SER A 101 1.336 -3.407 13.034 1.00 44.45 N ATOM 1652 CA SER A 101 0.320 -4.334 12.498 1.00 21.53 C ATOM 1653 C SER A 101 0.937 -5.651 12.000 1.00 51.02 C ATOM 1654 O SER A 101 0.280 -6.692 12.003 1.00 34.30 O ATOM 1655 CB SER A 101 -0.462 -3.661 11.362 1.00 25.23 C ATOM 1656 OG SER A 101 -1.504 -4.494 10.878 1.00 24.12 O ATOM 0 H SER A 101 1.983 -3.038 12.337 1.00 44.45 H new ATOM 0 HA SER A 101 -0.357 -4.579 13.316 1.00 21.53 H new ATOM 0 HB2 SER A 101 -0.883 -2.720 11.717 1.00 25.23 H new ATOM 0 HB3 SER A 101 0.218 -3.418 10.546 1.00 25.23 H new ATOM 0 HG SER A 101 -1.982 -4.034 10.157 1.00 24.12 H new ATOM 1662 N GLY A 102 2.193 -5.600 11.557 1.00 64.22 N ATOM 1663 CA GLY A 102 2.894 -6.804 11.103 1.00 30.52 C ATOM 1664 C GLY A 102 2.347 -7.394 9.801 1.00 42.34 C ATOM 1665 O GLY A 102 2.433 -8.602 9.577 1.00 54.42 O ATOM 0 H GLY A 102 2.745 -4.744 11.502 1.00 64.22 H new ATOM 0 HA2 GLY A 102 3.949 -6.567 10.966 1.00 30.52 H new ATOM 0 HA3 GLY A 102 2.836 -7.561 11.885 1.00 30.52 H new ATOM 1669 N VAL A 103 1.805 -6.545 8.930 1.00 30.15 N ATOM 1670 CA VAL A 103 1.221 -7.000 7.657 1.00 74.42 C ATOM 1671 C VAL A 103 2.272 -7.093 6.538 1.00 23.32 C ATOM 1672 O VAL A 103 3.064 -6.170 6.335 1.00 21.32 O ATOM 1673 CB VAL A 103 0.085 -6.057 7.193 1.00 13.13 C ATOM 1674 CG1 VAL A 103 -0.538 -6.550 5.888 1.00 31.13 C ATOM 1675 CG2 VAL A 103 -0.973 -5.914 8.283 1.00 42.44 C ATOM 0 H VAL A 103 1.755 -5.537 9.077 1.00 30.15 H new ATOM 0 HA VAL A 103 0.820 -7.996 7.846 1.00 74.42 H new ATOM 0 HB VAL A 103 0.516 -5.073 7.005 1.00 13.13 H new ATOM 0 HG11 VAL A 103 -1.333 -5.869 5.585 1.00 31.13 H new ATOM 0 HG12 VAL A 103 0.226 -6.585 5.111 1.00 31.13 H new ATOM 0 HG13 VAL A 103 -0.951 -7.548 6.036 1.00 31.13 H new ATOM 0 HG21 VAL A 103 -1.763 -5.247 7.938 1.00 42.44 H new ATOM 0 HG22 VAL A 103 -1.397 -6.892 8.509 1.00 42.44 H new ATOM 0 HG23 VAL A 103 -0.516 -5.500 9.182 1.00 42.44 H new ATOM 1685 N VAL A 104 2.263 -8.214 5.813 1.00 32.22 N ATOM 1686 CA VAL A 104 3.165 -8.433 4.673 1.00 41.31 C ATOM 1687 C VAL A 104 2.409 -8.271 3.338 1.00 40.25 C ATOM 1688 O VAL A 104 1.189 -8.420 3.285 1.00 15.42 O ATOM 1689 CB VAL A 104 3.796 -9.852 4.741 1.00 73.14 C ATOM 1690 CG1 VAL A 104 4.735 -10.106 3.562 1.00 63.34 C ATOM 1691 CG2 VAL A 104 4.529 -10.056 6.068 1.00 31.42 C ATOM 0 H VAL A 104 1.633 -8.995 5.997 1.00 32.22 H new ATOM 0 HA VAL A 104 3.957 -7.685 4.725 1.00 41.31 H new ATOM 0 HB VAL A 104 2.984 -10.576 4.679 1.00 73.14 H new ATOM 0 HG11 VAL A 104 5.158 -11.107 3.643 1.00 63.34 H new ATOM 0 HG12 VAL A 104 4.178 -10.021 2.629 1.00 63.34 H new ATOM 0 HG13 VAL A 104 5.540 -9.371 3.573 1.00 63.34 H new ATOM 0 HG21 VAL A 104 4.963 -11.056 6.094 1.00 31.42 H new ATOM 0 HG22 VAL A 104 5.322 -9.314 6.164 1.00 31.42 H new ATOM 0 HG23 VAL A 104 3.826 -9.944 6.893 1.00 31.42 H new ATOM 1701 N LEU A 105 3.139 -7.960 2.265 1.00 35.41 N ATOM 1702 CA LEU A 105 2.535 -7.780 0.937 1.00 70.44 C ATOM 1703 C LEU A 105 2.562 -9.080 0.110 1.00 13.55 C ATOM 1704 O LEU A 105 3.631 -9.591 -0.229 1.00 3.45 O ATOM 1705 CB LEU A 105 3.265 -6.666 0.170 1.00 71.31 C ATOM 1706 CG LEU A 105 3.269 -5.285 0.850 1.00 34.22 C ATOM 1707 CD1 LEU A 105 3.992 -4.257 -0.021 1.00 25.31 C ATOM 1708 CD2 LEU A 105 1.842 -4.830 1.153 1.00 33.03 C ATOM 0 H LEU A 105 4.150 -7.827 2.287 1.00 35.41 H new ATOM 0 HA LEU A 105 1.492 -7.502 1.090 1.00 70.44 H new ATOM 0 HB2 LEU A 105 4.298 -6.976 0.010 1.00 71.31 H new ATOM 0 HB3 LEU A 105 2.806 -6.566 -0.814 1.00 71.31 H new ATOM 0 HG LEU A 105 3.807 -5.370 1.794 1.00 34.22 H new ATOM 0 HD11 LEU A 105 3.984 -3.288 0.477 1.00 25.31 H new ATOM 0 HD12 LEU A 105 5.023 -4.575 -0.179 1.00 25.31 H new ATOM 0 HD13 LEU A 105 3.486 -4.175 -0.983 1.00 25.31 H new ATOM 0 HD21 LEU A 105 1.866 -3.852 1.633 1.00 33.03 H new ATOM 0 HD22 LEU A 105 1.276 -4.764 0.224 1.00 33.03 H new ATOM 0 HD23 LEU A 105 1.364 -5.549 1.818 1.00 33.03 H new ATOM 1720 N LEU A 106 1.382 -9.616 -0.201 1.00 61.32 N ATOM 1721 CA LEU A 106 1.259 -10.808 -1.055 1.00 51.12 C ATOM 1722 C LEU A 106 0.031 -10.702 -1.979 1.00 33.33 C ATOM 1723 O LEU A 106 -0.912 -9.984 -1.674 1.00 21.35 O ATOM 1724 CB LEU A 106 1.182 -12.099 -0.211 1.00 3.24 C ATOM 1725 CG LEU A 106 0.074 -12.149 0.864 1.00 51.51 C ATOM 1726 CD1 LEU A 106 -0.186 -13.586 1.317 1.00 53.51 C ATOM 1727 CD2 LEU A 106 0.438 -11.282 2.070 1.00 55.43 C ATOM 0 H LEU A 106 0.490 -9.244 0.126 1.00 61.32 H new ATOM 0 HA LEU A 106 2.155 -10.858 -1.674 1.00 51.12 H new ATOM 0 HB2 LEU A 106 1.041 -12.942 -0.887 1.00 3.24 H new ATOM 0 HB3 LEU A 106 2.143 -12.243 0.282 1.00 3.24 H new ATOM 0 HG LEU A 106 -0.836 -11.754 0.413 1.00 51.51 H new ATOM 0 HD11 LEU A 106 -0.970 -13.593 2.074 1.00 53.51 H new ATOM 0 HD12 LEU A 106 -0.501 -14.185 0.463 1.00 53.51 H new ATOM 0 HD13 LEU A 106 0.728 -14.006 1.738 1.00 53.51 H new ATOM 0 HD21 LEU A 106 -0.360 -11.336 2.811 1.00 55.43 H new ATOM 0 HD22 LEU A 106 1.367 -11.643 2.510 1.00 55.43 H new ATOM 0 HD23 LEU A 106 0.566 -10.248 1.749 1.00 55.43 H new ATOM 1739 N ASN A 107 0.063 -11.427 -3.107 1.00 34.35 N ATOM 1740 CA ASN A 107 -1.009 -11.399 -4.132 1.00 13.10 C ATOM 1741 C ASN A 107 -1.626 -9.995 -4.356 1.00 61.21 C ATOM 1742 O ASN A 107 -2.679 -9.664 -3.806 1.00 33.31 O ATOM 1743 CB ASN A 107 -2.110 -12.445 -3.841 1.00 62.11 C ATOM 1744 CG ASN A 107 -2.613 -12.445 -2.404 1.00 21.11 C ATOM 1745 OD1 ASN A 107 -2.158 -13.228 -1.576 1.00 34.31 O ATOM 1746 ND2 ASN A 107 -3.547 -11.571 -2.094 1.00 11.22 N ATOM 0 H ASN A 107 0.833 -12.054 -3.341 1.00 34.35 H new ATOM 0 HA ASN A 107 -0.516 -11.667 -5.067 1.00 13.10 H new ATOM 0 HB2 ASN A 107 -2.953 -12.263 -4.508 1.00 62.11 H new ATOM 0 HB3 ASN A 107 -1.724 -13.436 -4.078 1.00 62.11 H new ATOM 0 HD21 ASN A 107 -3.913 -11.531 -1.143 1.00 11.22 H new ATOM 0 HD22 ASN A 107 -3.905 -10.933 -2.805 1.00 11.22 H new ATOM 1753 N PRO A 108 -0.971 -9.155 -5.189 1.00 34.01 N ATOM 1754 CA PRO A 108 -1.452 -7.791 -5.490 1.00 60.12 C ATOM 1755 C PRO A 108 -2.733 -7.768 -6.352 1.00 62.15 C ATOM 1756 O PRO A 108 -2.939 -8.626 -7.215 1.00 50.13 O ATOM 1757 CB PRO A 108 -0.275 -7.165 -6.252 1.00 23.41 C ATOM 1758 CG PRO A 108 0.429 -8.325 -6.875 1.00 41.43 C ATOM 1759 CD PRO A 108 0.292 -9.462 -5.895 1.00 12.24 C ATOM 0 HA PRO A 108 -1.732 -7.257 -4.582 1.00 60.12 H new ATOM 0 HB2 PRO A 108 -0.622 -6.459 -7.007 1.00 23.41 H new ATOM 0 HB3 PRO A 108 0.384 -6.615 -5.581 1.00 23.41 H new ATOM 0 HG2 PRO A 108 -0.015 -8.582 -7.837 1.00 41.43 H new ATOM 0 HG3 PRO A 108 1.478 -8.093 -7.060 1.00 41.43 H new ATOM 0 HD2 PRO A 108 0.245 -10.426 -6.402 1.00 12.24 H new ATOM 0 HD3 PRO A 108 1.137 -9.504 -5.208 1.00 12.24 H new ATOM 1767 N ILE A 109 -3.589 -6.774 -6.114 1.00 35.32 N ATOM 1768 CA ILE A 109 -4.849 -6.637 -6.853 1.00 51.11 C ATOM 1769 C ILE A 109 -4.731 -5.607 -7.995 1.00 15.03 C ATOM 1770 O ILE A 109 -4.328 -4.468 -7.763 1.00 1.12 O ATOM 1771 CB ILE A 109 -5.997 -6.208 -5.900 1.00 32.13 C ATOM 1772 CG1 ILE A 109 -6.182 -7.244 -4.777 1.00 35.34 C ATOM 1773 CG2 ILE A 109 -7.303 -6.012 -6.671 1.00 33.22 C ATOM 1774 CD1 ILE A 109 -6.520 -8.631 -5.280 1.00 24.40 C ATOM 0 H ILE A 109 -3.434 -6.049 -5.414 1.00 35.32 H new ATOM 0 HA ILE A 109 -5.073 -7.612 -7.285 1.00 51.11 H new ATOM 0 HB ILE A 109 -5.724 -5.254 -5.449 1.00 32.13 H new ATOM 0 HG12 ILE A 109 -5.267 -7.294 -4.186 1.00 35.34 H new ATOM 0 HG13 ILE A 109 -6.975 -6.906 -4.109 1.00 35.34 H new ATOM 0 HG21 ILE A 109 -8.091 -5.712 -5.981 1.00 33.22 H new ATOM 0 HG22 ILE A 109 -7.167 -5.237 -7.426 1.00 33.22 H new ATOM 0 HG23 ILE A 109 -7.583 -6.947 -7.157 1.00 33.22 H new ATOM 0 HD11 ILE A 109 -6.636 -9.307 -4.433 1.00 24.40 H new ATOM 0 HD12 ILE A 109 -7.451 -8.596 -5.846 1.00 24.40 H new ATOM 0 HD13 ILE A 109 -5.717 -8.990 -5.924 1.00 24.40 H new ATOM 1786 N PRO A 110 -5.087 -5.989 -9.242 1.00 31.12 N ATOM 1787 CA PRO A 110 -5.063 -5.063 -10.395 1.00 75.03 C ATOM 1788 C PRO A 110 -6.087 -3.917 -10.263 1.00 3.13 C ATOM 1789 O PRO A 110 -7.181 -4.105 -9.718 1.00 70.45 O ATOM 1790 CB PRO A 110 -5.403 -5.969 -11.588 1.00 15.11 C ATOM 1791 CG PRO A 110 -6.136 -7.126 -10.990 1.00 1.34 C ATOM 1792 CD PRO A 110 -5.525 -7.343 -9.633 1.00 11.50 C ATOM 0 HA PRO A 110 -4.101 -4.558 -10.489 1.00 75.03 H new ATOM 0 HB2 PRO A 110 -6.019 -5.446 -12.320 1.00 15.11 H new ATOM 0 HB3 PRO A 110 -4.502 -6.296 -12.106 1.00 15.11 H new ATOM 0 HG2 PRO A 110 -7.202 -6.914 -10.909 1.00 1.34 H new ATOM 0 HG3 PRO A 110 -6.035 -8.016 -11.611 1.00 1.34 H new ATOM 0 HD2 PRO A 110 -6.247 -7.753 -8.927 1.00 11.50 H new ATOM 0 HD3 PRO A 110 -4.689 -8.041 -9.674 1.00 11.50 H new