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 36 GLN : amide:sc= 0.745 K(o=2.1,f=0.77) USER MOD Set 1.2: A 57 SER OG : rot -80:sc= 1.4 USER MOD Set 2.1: A 54 SER OG : rot -52:sc= 1.35 USER MOD Set 2.2: A 63 HIS : no HD1:sc= 0.64 K(o=2,f=-6.1!) USER MOD Set 3.1: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 107 ASN : amide:sc= -0.314 K(o=-0.31,f=-2.1) USER MOD Single : A 17 GLN : amide:sc= -0.18 K(o=-0.18,f=-1.8!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc=-0.00144 K(o=-0.0014,f=-2.9!) USER MOD Single : A 30 GLN : amide:sc= 0.505 K(o=0.5,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 95:sc= 0.198 USER MOD Single : A 60 GLN : amide:sc= 0.276 K(o=0.28,f=-2.6!) USER MOD Single : A 67 GLN : amide:sc= -0.612 K(o=-0.61,f=-1.8) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc=-0.00602 K(o=-0.006,f=-0.94) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) 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= -0.327 X(o=-0.33,f=-0.059) USER MOD Single : A 89 HIS : no HD1:sc=-0.00474 X(o=-0.0047,f=-0.11) USER MOD Single : A 90 HIS : no HE2:sc= -2.34 K(o=-2.3,f=-5.7!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -79:sc= 0.123 USER MOD Single : A 93 THR OG1 : rot -79:sc= 1.04 USER MOD Single : A 94 LYS NZ :NH3+ 159:sc= 1.07 (180deg=0.47) USER MOD Single : A 95 GLN : amide:sc= -2.14 K(o=-2.1,f=-8.2!) USER MOD Single : A 98 THR OG1 : rot -112:sc= 0.0412 USER MOD Single : A 99 LYS NZ :NH3+ -169:sc= -0.0166 (180deg=-0.161) USER MOD Single : A 100 LYS NZ :NH3+ 178:sc= 0.99 (180deg=0.911) USER MOD Single : A 101 SER OG : rot 10:sc= 0.929 USER MOD ----------------------------------------------------------------- ATOM 203 N PRO A 13 5.375 2.839 -14.265 1.00 24.13 N ATOM 204 CA PRO A 13 5.149 4.028 -13.421 1.00 70.21 C ATOM 205 C PRO A 13 3.937 3.870 -12.487 1.00 21.33 C ATOM 206 O PRO A 13 3.063 3.028 -12.722 1.00 51.45 O ATOM 207 CB PRO A 13 4.910 5.152 -14.443 1.00 51.21 C ATOM 208 CG PRO A 13 4.471 4.448 -15.678 1.00 14.34 C ATOM 209 CD PRO A 13 5.231 3.152 -15.699 1.00 64.14 C ATOM 0 HA PRO A 13 5.989 4.217 -12.752 1.00 70.21 H new ATOM 0 HB2 PRO A 13 4.150 5.851 -14.093 1.00 51.21 H new ATOM 0 HB3 PRO A 13 5.818 5.729 -14.617 1.00 51.21 H new ATOM 0 HG2 PRO A 13 3.396 4.271 -15.667 1.00 14.34 H new ATOM 0 HG3 PRO A 13 4.687 5.043 -16.566 1.00 14.34 H new ATOM 0 HD2 PRO A 13 4.687 2.372 -16.231 1.00 64.14 H new ATOM 0 HD3 PRO A 13 6.198 3.258 -16.190 1.00 64.14 H new ATOM 217 N LEU A 14 3.881 4.699 -11.442 1.00 11.30 N ATOM 218 CA LEU A 14 2.818 4.616 -10.428 1.00 42.43 C ATOM 219 C LEU A 14 1.416 4.565 -11.062 1.00 25.53 C ATOM 220 O LEU A 14 0.579 3.754 -10.671 1.00 42.20 O ATOM 221 CB LEU A 14 2.919 5.808 -9.464 1.00 54.41 C ATOM 222 CG LEU A 14 1.896 5.820 -8.317 1.00 70.21 C ATOM 223 CD1 LEU A 14 2.027 4.565 -7.460 1.00 3.14 C ATOM 224 CD2 LEU A 14 2.065 7.080 -7.469 1.00 54.33 C ATOM 0 H LEU A 14 4.561 5.440 -11.272 1.00 11.30 H new ATOM 0 HA LEU A 14 2.961 3.686 -9.877 1.00 42.43 H new ATOM 0 HB2 LEU A 14 3.921 5.821 -9.034 1.00 54.41 H new ATOM 0 HB3 LEU A 14 2.806 6.728 -10.038 1.00 54.41 H new ATOM 0 HG LEU A 14 0.895 5.827 -8.747 1.00 70.21 H new ATOM 0 HD11 LEU A 14 1.293 4.596 -6.655 1.00 3.14 H new ATOM 0 HD12 LEU A 14 1.852 3.683 -8.077 1.00 3.14 H new ATOM 0 HD13 LEU A 14 3.030 4.518 -7.035 1.00 3.14 H new ATOM 0 HD21 LEU A 14 1.334 7.075 -6.660 1.00 54.33 H new ATOM 0 HD22 LEU A 14 3.071 7.104 -7.049 1.00 54.33 H new ATOM 0 HD23 LEU A 14 1.911 7.961 -8.092 1.00 54.33 H new ATOM 236 N ALA A 15 1.180 5.425 -12.049 1.00 40.24 N ATOM 237 CA ALA A 15 -0.111 5.481 -12.743 1.00 51.11 C ATOM 238 C ALA A 15 -0.482 4.138 -13.396 1.00 71.34 C ATOM 239 O ALA A 15 -1.622 3.678 -13.293 1.00 44.24 O ATOM 240 CB ALA A 15 -0.093 6.589 -13.790 1.00 41.40 C ATOM 0 H ALA A 15 1.867 6.097 -12.390 1.00 40.24 H new ATOM 0 HA ALA A 15 -0.874 5.697 -11.995 1.00 51.11 H new ATOM 0 HB1 ALA A 15 -1.056 6.623 -14.300 1.00 41.40 H new ATOM 0 HB2 ALA A 15 0.094 7.546 -13.303 1.00 41.40 H new ATOM 0 HB3 ALA A 15 0.696 6.391 -14.516 1.00 41.40 H new ATOM 246 N GLU A 16 0.486 3.503 -14.058 1.00 61.34 N ATOM 247 CA GLU A 16 0.233 2.244 -14.775 1.00 2.12 C ATOM 248 C GLU A 16 0.180 1.037 -13.824 1.00 61.23 C ATOM 249 O GLU A 16 -0.284 -0.039 -14.209 1.00 74.44 O ATOM 250 CB GLU A 16 1.300 2.015 -15.860 1.00 73.12 C ATOM 251 CG GLU A 16 1.344 3.111 -16.925 1.00 74.33 C ATOM 252 CD GLU A 16 2.134 2.704 -18.164 1.00 44.35 C ATOM 253 OE1 GLU A 16 1.609 1.915 -18.975 1.00 73.12 O ATOM 254 OE2 GLU A 16 3.272 3.182 -18.345 1.00 72.23 O ATOM 0 H GLU A 16 1.449 3.834 -14.115 1.00 61.34 H new ATOM 0 HA GLU A 16 -0.745 2.336 -15.247 1.00 2.12 H new ATOM 0 HB2 GLU A 16 2.278 1.944 -15.385 1.00 73.12 H new ATOM 0 HB3 GLU A 16 1.111 1.057 -16.345 1.00 73.12 H new ATOM 0 HG2 GLU A 16 0.326 3.367 -17.218 1.00 74.33 H new ATOM 0 HG3 GLU A 16 1.788 4.009 -16.496 1.00 74.33 H new ATOM 261 N GLN A 17 0.649 1.217 -12.588 1.00 4.42 N ATOM 262 CA GLN A 17 0.614 0.146 -11.578 1.00 40.33 C ATOM 263 C GLN A 17 -0.825 -0.335 -11.320 1.00 64.15 C ATOM 264 O GLN A 17 -1.694 0.448 -10.930 1.00 12.24 O ATOM 265 CB GLN A 17 1.250 0.624 -10.263 1.00 4.32 C ATOM 266 CG GLN A 17 2.746 0.915 -10.362 1.00 3.15 C ATOM 267 CD GLN A 17 3.569 -0.330 -10.657 1.00 64.24 C ATOM 268 OE1 GLN A 17 4.048 -1.013 -9.757 1.00 75.23 O ATOM 269 NE2 GLN A 17 3.732 -0.646 -11.921 1.00 0.13 N ATOM 0 H GLN A 17 1.058 2.091 -12.258 1.00 4.42 H new ATOM 0 HA GLN A 17 1.189 -0.694 -11.968 1.00 40.33 H new ATOM 0 HB2 GLN A 17 0.737 1.526 -9.931 1.00 4.32 H new ATOM 0 HB3 GLN A 17 1.088 -0.135 -9.497 1.00 4.32 H new ATOM 0 HG2 GLN A 17 2.917 1.653 -11.146 1.00 3.15 H new ATOM 0 HG3 GLN A 17 3.088 1.358 -9.427 1.00 3.15 H new ATOM 0 HE21 GLN A 17 3.323 -0.061 -12.650 1.00 0.13 H new ATOM 0 HE22 GLN A 17 4.267 -1.476 -12.174 1.00 0.13 H new ATOM 278 N ASP A 18 -1.065 -1.626 -11.540 1.00 62.02 N ATOM 279 CA ASP A 18 -2.398 -2.216 -11.360 1.00 11.10 C ATOM 280 C ASP A 18 -2.862 -2.179 -9.888 1.00 11.20 C ATOM 281 O ASP A 18 -4.048 -1.981 -9.609 1.00 12.34 O ATOM 282 CB ASP A 18 -2.428 -3.650 -11.916 1.00 3.23 C ATOM 283 CG ASP A 18 -1.163 -4.440 -11.621 1.00 61.13 C ATOM 284 OD1 ASP A 18 -0.630 -4.337 -10.497 1.00 11.54 O ATOM 285 OD2 ASP A 18 -0.677 -5.153 -12.531 1.00 53.04 O ATOM 0 H ASP A 18 -0.353 -2.290 -11.845 1.00 62.02 H new ATOM 0 HA ASP A 18 -3.104 -1.607 -11.924 1.00 11.10 H new ATOM 0 HB2 ASP A 18 -3.283 -4.177 -11.494 1.00 3.23 H new ATOM 0 HB3 ASP A 18 -2.579 -3.610 -12.995 1.00 3.23 H new ATOM 290 N TRP A 19 -1.932 -2.367 -8.953 1.00 75.21 N ATOM 291 CA TRP A 19 -2.242 -2.241 -7.521 1.00 2.05 C ATOM 292 C TRP A 19 -2.591 -0.787 -7.136 1.00 1.55 C ATOM 293 O TRP A 19 -3.236 -0.543 -6.113 1.00 21.03 O ATOM 294 CB TRP A 19 -1.084 -2.772 -6.657 1.00 64.05 C ATOM 295 CG TRP A 19 0.272 -2.245 -7.036 1.00 2.14 C ATOM 296 CD1 TRP A 19 1.186 -2.856 -7.849 1.00 32.05 C ATOM 297 CD2 TRP A 19 0.871 -1.009 -6.620 1.00 44.25 C ATOM 298 NE1 TRP A 19 2.313 -2.080 -7.956 1.00 32.41 N ATOM 299 CE2 TRP A 19 2.145 -0.945 -7.211 1.00 63.13 C ATOM 300 CE3 TRP A 19 0.458 0.046 -5.802 1.00 74.44 C ATOM 301 CZ2 TRP A 19 3.005 0.132 -7.014 1.00 52.12 C ATOM 302 CZ3 TRP A 19 1.313 1.115 -5.611 1.00 64.15 C ATOM 303 CH2 TRP A 19 2.575 1.150 -6.214 1.00 72.11 C ATOM 0 H TRP A 19 -0.961 -2.606 -9.155 1.00 75.21 H new ATOM 0 HA TRP A 19 -3.123 -2.852 -7.326 1.00 2.05 H new ATOM 0 HB2 TRP A 19 -1.280 -2.519 -5.615 1.00 64.05 H new ATOM 0 HB3 TRP A 19 -1.068 -3.860 -6.723 1.00 64.05 H new ATOM 0 HD1 TRP A 19 1.042 -3.809 -8.336 1.00 32.05 H new ATOM 0 HE1 TRP A 19 3.142 -2.312 -8.503 1.00 32.41 H new ATOM 0 HE3 TRP A 19 -0.512 0.026 -5.328 1.00 74.44 H new ATOM 0 HZ2 TRP A 19 3.979 0.161 -7.479 1.00 52.12 H new ATOM 0 HZ3 TRP A 19 1.001 1.938 -4.985 1.00 64.15 H new ATOM 0 HH2 TRP A 19 3.221 1.999 -6.043 1.00 72.11 H new ATOM 314 N TYR A 20 -2.172 0.171 -7.961 1.00 72.43 N ATOM 315 CA TYR A 20 -2.548 1.578 -7.774 1.00 23.14 C ATOM 316 C TYR A 20 -3.882 1.869 -8.479 1.00 14.22 C ATOM 317 O TYR A 20 -3.922 2.116 -9.685 1.00 33.34 O ATOM 318 CB TYR A 20 -1.445 2.506 -8.308 1.00 42.23 C ATOM 319 CG TYR A 20 -1.785 3.985 -8.233 1.00 44.44 C ATOM 320 CD1 TYR A 20 -1.817 4.653 -7.013 1.00 74.30 C ATOM 321 CD2 TYR A 20 -2.073 4.713 -9.384 1.00 62.45 C ATOM 322 CE1 TYR A 20 -2.127 5.997 -6.943 1.00 64.52 C ATOM 323 CE2 TYR A 20 -2.382 6.058 -9.321 1.00 74.41 C ATOM 324 CZ TYR A 20 -2.408 6.697 -8.101 1.00 12.23 C ATOM 325 OH TYR A 20 -2.713 8.039 -8.035 1.00 33.34 O ATOM 0 H TYR A 20 -1.571 0.002 -8.768 1.00 72.43 H new ATOM 0 HA TYR A 20 -2.669 1.767 -6.707 1.00 23.14 H new ATOM 0 HB2 TYR A 20 -0.530 2.326 -7.744 1.00 42.23 H new ATOM 0 HB3 TYR A 20 -1.237 2.245 -9.346 1.00 42.23 H new ATOM 0 HD1 TYR A 20 -1.596 4.111 -6.105 1.00 74.30 H new ATOM 0 HD2 TYR A 20 -2.055 4.217 -10.343 1.00 62.45 H new ATOM 0 HE1 TYR A 20 -2.150 6.499 -5.987 1.00 64.52 H new ATOM 0 HE2 TYR A 20 -2.602 6.606 -10.225 1.00 74.41 H new ATOM 0 HH TYR A 20 -2.883 8.381 -8.938 1.00 33.34 H new ATOM 335 N HIS A 21 -4.976 1.836 -7.719 1.00 42.20 N ATOM 336 CA HIS A 21 -6.329 1.973 -8.287 1.00 62.31 C ATOM 337 C HIS A 21 -6.736 3.442 -8.508 1.00 15.21 C ATOM 338 O HIS A 21 -7.824 3.715 -9.007 1.00 31.55 O ATOM 339 CB HIS A 21 -7.356 1.282 -7.375 1.00 51.31 C ATOM 340 CG HIS A 21 -7.254 -0.217 -7.360 1.00 4.32 C ATOM 341 ND1 HIS A 21 -8.350 -1.049 -7.475 1.00 40.11 N ATOM 342 CD2 HIS A 21 -6.183 -1.038 -7.230 1.00 72.14 C ATOM 343 CE1 HIS A 21 -7.956 -2.307 -7.414 1.00 22.04 C ATOM 344 NE2 HIS A 21 -6.648 -2.328 -7.268 1.00 64.51 N ATOM 0 H HIS A 21 -4.958 1.716 -6.706 1.00 42.20 H new ATOM 0 HA HIS A 21 -6.312 1.491 -9.265 1.00 62.31 H new ATOM 0 HB2 HIS A 21 -7.231 1.654 -6.358 1.00 51.31 H new ATOM 0 HB3 HIS A 21 -8.359 1.564 -7.696 1.00 51.31 H new ATOM 0 HD2 HIS A 21 -5.153 -0.733 -7.117 1.00 72.14 H new ATOM 0 HE1 HIS A 21 -8.598 -3.173 -7.474 1.00 22.04 H new ATOM 0 HE2 HIS A 21 -6.073 -3.167 -7.195 1.00 64.51 H new ATOM 353 N GLY A 22 -5.867 4.377 -8.135 1.00 23.33 N ATOM 354 CA GLY A 22 -6.185 5.798 -8.281 1.00 1.43 C ATOM 355 C GLY A 22 -6.739 6.414 -6.999 1.00 34.23 C ATOM 356 O GLY A 22 -6.344 6.030 -5.903 1.00 75.43 O ATOM 0 H GLY A 22 -4.949 4.183 -7.735 1.00 23.33 H new ATOM 0 HA2 GLY A 22 -5.287 6.338 -8.580 1.00 1.43 H new ATOM 0 HA3 GLY A 22 -6.913 5.922 -9.083 1.00 1.43 H new ATOM 360 N ALA A 23 -7.664 7.362 -7.134 1.00 20.01 N ATOM 361 CA ALA A 23 -8.257 8.053 -5.979 1.00 63.33 C ATOM 362 C ALA A 23 -9.650 7.500 -5.632 1.00 11.12 C ATOM 363 O ALA A 23 -10.514 8.231 -5.134 1.00 3.51 O ATOM 364 CB ALA A 23 -8.331 9.551 -6.259 1.00 45.15 C ATOM 0 H ALA A 23 -8.024 7.674 -8.036 1.00 20.01 H new ATOM 0 HA ALA A 23 -7.617 7.876 -5.115 1.00 63.33 H new ATOM 0 HB1 ALA A 23 -8.771 10.060 -5.401 1.00 45.15 H new ATOM 0 HB2 ALA A 23 -7.327 9.938 -6.435 1.00 45.15 H new ATOM 0 HB3 ALA A 23 -8.948 9.726 -7.141 1.00 45.15 H new ATOM 370 N ILE A 24 -9.854 6.206 -5.878 1.00 71.22 N ATOM 371 CA ILE A 24 -11.135 5.546 -5.586 1.00 24.32 C ATOM 372 C ILE A 24 -11.571 5.741 -4.120 1.00 11.11 C ATOM 373 O ILE A 24 -10.730 5.849 -3.222 1.00 33.25 O ATOM 374 CB ILE A 24 -11.081 4.023 -5.889 1.00 13.32 C ATOM 375 CG1 ILE A 24 -10.084 3.312 -4.958 1.00 64.22 C ATOM 376 CG2 ILE A 24 -10.716 3.780 -7.351 1.00 11.51 C ATOM 377 CD1 ILE A 24 -10.107 1.803 -5.079 1.00 64.14 C ATOM 0 H ILE A 24 -9.149 5.589 -6.280 1.00 71.22 H new ATOM 0 HA ILE A 24 -11.866 6.021 -6.240 1.00 24.32 H new ATOM 0 HB ILE A 24 -12.071 3.606 -5.706 1.00 13.32 H new ATOM 0 HG12 ILE A 24 -9.078 3.670 -5.177 1.00 64.22 H new ATOM 0 HG13 ILE A 24 -10.303 3.588 -3.927 1.00 64.22 H new ATOM 0 HG21 ILE A 24 -10.683 2.708 -7.544 1.00 11.51 H new ATOM 0 HG22 ILE A 24 -11.465 4.242 -7.995 1.00 11.51 H new ATOM 0 HG23 ILE A 24 -9.739 4.217 -7.560 1.00 11.51 H new ATOM 0 HD11 ILE A 24 -9.378 1.372 -4.393 1.00 64.14 H new ATOM 0 HD12 ILE A 24 -11.102 1.433 -4.831 1.00 64.14 H new ATOM 0 HD13 ILE A 24 -9.857 1.516 -6.101 1.00 64.14 H new ATOM 389 N PRO A 25 -12.893 5.788 -3.859 1.00 5.54 N ATOM 390 CA PRO A 25 -13.434 5.973 -2.498 1.00 21.33 C ATOM 391 C PRO A 25 -13.065 4.832 -1.524 1.00 74.33 C ATOM 392 O PRO A 25 -12.730 3.716 -1.937 1.00 2.34 O ATOM 393 CB PRO A 25 -14.955 6.025 -2.723 1.00 41.41 C ATOM 394 CG PRO A 25 -15.177 5.355 -4.036 1.00 33.54 C ATOM 395 CD PRO A 25 -13.967 5.675 -4.866 1.00 43.45 C ATOM 0 HA PRO A 25 -13.022 6.866 -2.027 1.00 21.33 H new ATOM 0 HB2 PRO A 25 -15.489 5.512 -1.923 1.00 41.41 H new ATOM 0 HB3 PRO A 25 -15.316 7.053 -2.739 1.00 41.41 H new ATOM 0 HG2 PRO A 25 -15.293 4.278 -3.911 1.00 33.54 H new ATOM 0 HG3 PRO A 25 -16.087 5.720 -4.513 1.00 33.54 H new ATOM 0 HD2 PRO A 25 -13.757 4.890 -5.593 1.00 43.45 H new ATOM 0 HD3 PRO A 25 -14.095 6.602 -5.425 1.00 43.45 H new ATOM 403 N ARG A 26 -13.152 5.122 -0.220 1.00 74.04 N ATOM 404 CA ARG A 26 -12.773 4.159 0.827 1.00 21.13 C ATOM 405 C ARG A 26 -13.535 2.831 0.683 1.00 4.02 C ATOM 406 O ARG A 26 -12.951 1.753 0.821 1.00 54.24 O ATOM 407 CB ARG A 26 -13.026 4.755 2.222 1.00 22.42 C ATOM 408 CG ARG A 26 -12.551 3.863 3.369 1.00 22.34 C ATOM 409 CD ARG A 26 -12.935 4.424 4.737 1.00 23.34 C ATOM 410 NE ARG A 26 -12.381 5.758 4.974 1.00 62.44 N ATOM 411 CZ ARG A 26 -12.425 6.374 6.127 1.00 64.13 C ATOM 412 NH1 ARG A 26 -12.967 5.808 7.159 1.00 0.14 N ATOM 413 NH2 ARG A 26 -11.926 7.564 6.248 1.00 3.23 N ATOM 0 H ARG A 26 -13.482 6.018 0.138 1.00 74.04 H new ATOM 0 HA ARG A 26 -11.709 3.952 0.708 1.00 21.13 H new ATOM 0 HB2 ARG A 26 -12.523 5.719 2.292 1.00 22.42 H new ATOM 0 HB3 ARG A 26 -14.093 4.943 2.338 1.00 22.42 H new ATOM 0 HG2 ARG A 26 -12.980 2.868 3.254 1.00 22.34 H new ATOM 0 HG3 ARG A 26 -11.468 3.752 3.315 1.00 22.34 H new ATOM 0 HD2 ARG A 26 -14.021 4.466 4.816 1.00 23.34 H new ATOM 0 HD3 ARG A 26 -12.585 3.746 5.515 1.00 23.34 H new ATOM 0 HE ARG A 26 -11.933 6.236 4.192 1.00 62.44 H new ATOM 0 HH11 ARG A 26 -13.365 4.872 7.077 1.00 0.14 H new ATOM 0 HH12 ARG A 26 -12.996 6.298 8.053 1.00 0.14 H new ATOM 0 HH21 ARG A 26 -11.498 8.022 5.443 1.00 3.23 H new ATOM 0 HH22 ARG A 26 -11.961 8.043 7.148 1.00 3.23 H new ATOM 427 N ILE A 27 -14.838 2.919 0.400 1.00 33.22 N ATOM 428 CA ILE A 27 -15.680 1.729 0.204 1.00 25.04 C ATOM 429 C ILE A 27 -15.094 0.800 -0.875 1.00 32.20 C ATOM 430 O ILE A 27 -14.805 -0.366 -0.613 1.00 5.42 O ATOM 431 CB ILE A 27 -17.128 2.128 -0.189 1.00 62.10 C ATOM 432 CG1 ILE A 27 -17.770 2.985 0.913 1.00 53.41 C ATOM 433 CG2 ILE A 27 -17.977 0.887 -0.465 1.00 4.34 C ATOM 434 CD1 ILE A 27 -19.167 3.469 0.579 1.00 22.33 C ATOM 0 H ILE A 27 -15.336 3.803 0.301 1.00 33.22 H new ATOM 0 HA ILE A 27 -15.704 1.194 1.153 1.00 25.04 H new ATOM 0 HB ILE A 27 -17.081 2.720 -1.103 1.00 62.10 H new ATOM 0 HG12 ILE A 27 -17.808 2.405 1.835 1.00 53.41 H new ATOM 0 HG13 ILE A 27 -17.133 3.848 1.105 1.00 53.41 H new ATOM 0 HG21 ILE A 27 -18.987 1.191 -0.738 1.00 4.34 H new ATOM 0 HG22 ILE A 27 -17.535 0.318 -1.283 1.00 4.34 H new ATOM 0 HG23 ILE A 27 -18.015 0.266 0.430 1.00 4.34 H new ATOM 0 HD11 ILE A 27 -19.552 4.067 1.405 1.00 22.33 H new ATOM 0 HD12 ILE A 27 -19.135 4.077 -0.325 1.00 22.33 H new ATOM 0 HD13 ILE A 27 -19.820 2.612 0.416 1.00 22.33 H new ATOM 446 N GLU A 28 -14.894 1.337 -2.078 1.00 73.24 N ATOM 447 CA GLU A 28 -14.328 0.563 -3.195 1.00 42.03 C ATOM 448 C GLU A 28 -12.997 -0.108 -2.821 1.00 34.22 C ATOM 449 O GLU A 28 -12.699 -1.208 -3.290 1.00 71.20 O ATOM 450 CB GLU A 28 -14.138 1.476 -4.416 1.00 4.45 C ATOM 451 CG GLU A 28 -15.439 1.800 -5.146 1.00 42.45 C ATOM 452 CD GLU A 28 -15.845 0.716 -6.135 1.00 15.44 C ATOM 453 OE1 GLU A 28 -16.094 -0.432 -5.708 1.00 5.24 O ATOM 454 OE2 GLU A 28 -15.904 1.004 -7.349 1.00 40.34 O ATOM 0 H GLU A 28 -15.114 2.306 -2.310 1.00 73.24 H new ATOM 0 HA GLU A 28 -15.033 -0.233 -3.437 1.00 42.03 H new ATOM 0 HB2 GLU A 28 -13.671 2.407 -4.094 1.00 4.45 H new ATOM 0 HB3 GLU A 28 -13.450 0.998 -5.113 1.00 4.45 H new ATOM 0 HG2 GLU A 28 -16.236 1.936 -4.415 1.00 42.45 H new ATOM 0 HG3 GLU A 28 -15.327 2.746 -5.676 1.00 42.45 H new ATOM 461 N ALA A 29 -12.209 0.554 -1.976 1.00 42.41 N ATOM 462 CA ALA A 29 -10.913 0.017 -1.538 1.00 52.13 C ATOM 463 C ALA A 29 -11.062 -1.190 -0.590 1.00 22.52 C ATOM 464 O ALA A 29 -10.290 -2.145 -0.665 1.00 3.41 O ATOM 465 CB ALA A 29 -10.091 1.116 -0.867 1.00 1.15 C ATOM 0 H ALA A 29 -12.442 1.464 -1.578 1.00 42.41 H new ATOM 0 HA ALA A 29 -10.394 -0.339 -2.428 1.00 52.13 H new ATOM 0 HB1 ALA A 29 -9.132 0.709 -0.546 1.00 1.15 H new ATOM 0 HB2 ALA A 29 -9.922 1.927 -1.575 1.00 1.15 H new ATOM 0 HB3 ALA A 29 -10.632 1.497 -0.001 1.00 1.15 H new ATOM 471 N GLN A 30 -12.056 -1.147 0.301 1.00 11.20 N ATOM 472 CA GLN A 30 -12.242 -2.215 1.300 1.00 25.12 C ATOM 473 C GLN A 30 -13.069 -3.398 0.762 1.00 43.24 C ATOM 474 O GLN A 30 -12.874 -4.543 1.185 1.00 2.20 O ATOM 475 CB GLN A 30 -12.904 -1.658 2.574 1.00 21.03 C ATOM 476 CG GLN A 30 -14.213 -0.913 2.331 1.00 43.41 C ATOM 477 CD GLN A 30 -15.012 -0.695 3.606 1.00 43.45 C ATOM 478 OE1 GLN A 30 -14.808 0.279 4.328 1.00 64.25 O ATOM 479 NE2 GLN A 30 -15.940 -1.587 3.882 1.00 61.33 N ATOM 0 H GLN A 30 -12.741 -0.393 0.355 1.00 11.20 H new ATOM 0 HA GLN A 30 -11.247 -2.592 1.536 1.00 25.12 H new ATOM 0 HB2 GLN A 30 -13.092 -2.483 3.261 1.00 21.03 H new ATOM 0 HB3 GLN A 30 -12.203 -0.985 3.068 1.00 21.03 H new ATOM 0 HG2 GLN A 30 -13.997 0.052 1.874 1.00 43.41 H new ATOM 0 HG3 GLN A 30 -14.819 -1.474 1.620 1.00 43.41 H new ATOM 0 HE21 GLN A 30 -16.083 -2.383 3.261 1.00 61.33 H new ATOM 0 HE22 GLN A 30 -16.516 -1.482 4.717 1.00 61.33 H new ATOM 488 N GLU A 31 -13.985 -3.125 -0.164 1.00 61.32 N ATOM 489 CA GLU A 31 -14.908 -4.152 -0.670 1.00 0.22 C ATOM 490 C GLU A 31 -14.214 -5.191 -1.568 1.00 4.03 C ATOM 491 O GLU A 31 -14.618 -6.354 -1.604 1.00 33.41 O ATOM 492 CB GLU A 31 -16.059 -3.493 -1.442 1.00 73.05 C ATOM 493 CG GLU A 31 -16.918 -2.560 -0.594 1.00 44.23 C ATOM 494 CD GLU A 31 -17.602 -3.271 0.570 1.00 2.33 C ATOM 495 OE1 GLU A 31 -18.594 -3.990 0.334 1.00 3.11 O ATOM 496 OE2 GLU A 31 -17.155 -3.105 1.725 1.00 4.24 O ATOM 0 H GLU A 31 -14.112 -2.204 -0.582 1.00 61.32 H new ATOM 0 HA GLU A 31 -15.293 -4.683 0.201 1.00 0.22 H new ATOM 0 HB2 GLU A 31 -15.646 -2.930 -2.279 1.00 73.05 H new ATOM 0 HB3 GLU A 31 -16.694 -4.272 -1.864 1.00 73.05 H new ATOM 0 HG2 GLU A 31 -16.295 -1.755 -0.205 1.00 44.23 H new ATOM 0 HG3 GLU A 31 -17.676 -2.098 -1.227 1.00 44.23 H new ATOM 503 N LEU A 32 -13.170 -4.774 -2.289 1.00 64.11 N ATOM 504 CA LEU A 32 -12.496 -5.668 -3.252 1.00 44.42 C ATOM 505 C LEU A 32 -11.543 -6.663 -2.558 1.00 34.11 C ATOM 506 O LEU A 32 -11.044 -7.599 -3.189 1.00 43.10 O ATOM 507 CB LEU A 32 -11.749 -4.839 -4.321 1.00 15.23 C ATOM 508 CG LEU A 32 -10.551 -3.994 -3.833 1.00 12.32 C ATOM 509 CD1 LEU A 32 -9.274 -4.827 -3.769 1.00 61.31 C ATOM 510 CD2 LEU A 32 -10.351 -2.780 -4.737 1.00 71.34 C ATOM 0 H LEU A 32 -12.772 -3.837 -2.231 1.00 64.11 H new ATOM 0 HA LEU A 32 -13.267 -6.262 -3.743 1.00 44.42 H new ATOM 0 HB2 LEU A 32 -11.392 -5.521 -5.092 1.00 15.23 H new ATOM 0 HB3 LEU A 32 -12.467 -4.170 -4.795 1.00 15.23 H new ATOM 0 HG LEU A 32 -10.775 -3.647 -2.824 1.00 12.32 H new ATOM 0 HD11 LEU A 32 -8.450 -4.204 -3.422 1.00 61.31 H new ATOM 0 HD12 LEU A 32 -9.416 -5.658 -3.078 1.00 61.31 H new ATOM 0 HD13 LEU A 32 -9.043 -5.215 -4.761 1.00 61.31 H new ATOM 0 HD21 LEU A 32 -9.503 -2.196 -4.379 1.00 71.34 H new ATOM 0 HD22 LEU A 32 -10.157 -3.113 -5.757 1.00 71.34 H new ATOM 0 HD23 LEU A 32 -11.249 -2.163 -4.722 1.00 71.34 H new ATOM 522 N LEU A 33 -11.305 -6.460 -1.262 1.00 65.45 N ATOM 523 CA LEU A 33 -10.394 -7.316 -0.485 1.00 52.42 C ATOM 524 C LEU A 33 -11.112 -8.580 0.029 1.00 10.41 C ATOM 525 O LEU A 33 -12.266 -8.510 0.464 1.00 34.52 O ATOM 526 CB LEU A 33 -9.833 -6.516 0.698 1.00 74.24 C ATOM 527 CG LEU A 33 -9.087 -5.222 0.322 1.00 15.44 C ATOM 528 CD1 LEU A 33 -8.674 -4.447 1.570 1.00 44.12 C ATOM 529 CD2 LEU A 33 -7.867 -5.533 -0.536 1.00 24.22 C ATOM 0 H LEU A 33 -11.731 -5.707 -0.721 1.00 65.45 H new ATOM 0 HA LEU A 33 -9.581 -7.636 -1.137 1.00 52.42 H new ATOM 0 HB2 LEU A 33 -10.656 -6.261 1.366 1.00 74.24 H new ATOM 0 HB3 LEU A 33 -9.154 -7.157 1.260 1.00 74.24 H new ATOM 0 HG LEU A 33 -9.769 -4.599 -0.257 1.00 15.44 H new ATOM 0 HD11 LEU A 33 -8.149 -3.538 1.277 1.00 44.12 H new ATOM 0 HD12 LEU A 33 -9.562 -4.184 2.145 1.00 44.12 H new ATOM 0 HD13 LEU A 33 -8.016 -5.065 2.181 1.00 44.12 H new ATOM 0 HD21 LEU A 33 -7.355 -4.605 -0.790 1.00 24.22 H new ATOM 0 HD22 LEU A 33 -7.189 -6.182 0.018 1.00 24.22 H new ATOM 0 HD23 LEU A 33 -8.184 -6.035 -1.450 1.00 24.22 H new ATOM 541 N LYS A 34 -10.431 -9.731 -0.004 1.00 4.31 N ATOM 542 CA LYS A 34 -11.065 -11.005 0.373 1.00 33.21 C ATOM 543 C LYS A 34 -10.191 -11.861 1.314 1.00 63.12 C ATOM 544 O LYS A 34 -10.671 -12.337 2.347 1.00 10.34 O ATOM 545 CB LYS A 34 -11.431 -11.792 -0.896 1.00 5.12 C ATOM 546 CG LYS A 34 -10.236 -12.144 -1.780 1.00 13.33 C ATOM 547 CD LYS A 34 -10.660 -12.576 -3.177 1.00 74.42 C ATOM 548 CE LYS A 34 -11.602 -13.767 -3.148 1.00 3.34 C ATOM 549 NZ LYS A 34 -12.059 -14.132 -4.512 1.00 15.04 N ATOM 0 H LYS A 34 -9.453 -9.810 -0.284 1.00 4.31 H new ATOM 0 HA LYS A 34 -11.968 -10.766 0.934 1.00 33.21 H new ATOM 0 HB2 LYS A 34 -11.938 -12.712 -0.606 1.00 5.12 H new ATOM 0 HB3 LYS A 34 -12.142 -11.207 -1.480 1.00 5.12 H new ATOM 0 HG2 LYS A 34 -9.574 -11.281 -1.854 1.00 13.33 H new ATOM 0 HG3 LYS A 34 -9.664 -12.945 -1.312 1.00 13.33 H new ATOM 0 HD2 LYS A 34 -11.147 -11.742 -3.681 1.00 74.42 H new ATOM 0 HD3 LYS A 34 -9.775 -12.829 -3.761 1.00 74.42 H new ATOM 0 HE2 LYS A 34 -11.099 -14.619 -2.691 1.00 3.34 H new ATOM 0 HE3 LYS A 34 -12.465 -13.535 -2.524 1.00 3.34 H new ATOM 0 HZ1 LYS A 34 -12.701 -14.949 -4.456 1.00 15.04 H new ATOM 0 HZ2 LYS A 34 -12.560 -13.326 -4.937 1.00 15.04 H new ATOM 0 HZ3 LYS A 34 -11.237 -14.377 -5.100 1.00 15.04 H new ATOM 563 N LYS A 35 -8.921 -12.056 0.965 1.00 42.31 N ATOM 564 CA LYS A 35 -8.010 -12.894 1.763 1.00 1.54 C ATOM 565 C LYS A 35 -6.985 -12.040 2.523 1.00 70.14 C ATOM 566 O LYS A 35 -6.904 -10.827 2.330 1.00 14.11 O ATOM 567 CB LYS A 35 -7.252 -13.868 0.850 1.00 33.21 C ATOM 568 CG LYS A 35 -6.297 -13.161 -0.110 1.00 51.14 C ATOM 569 CD LYS A 35 -5.357 -14.123 -0.829 1.00 71.45 C ATOM 570 CE LYS A 35 -6.104 -15.069 -1.757 1.00 62.31 C ATOM 571 NZ LYS A 35 -5.166 -15.834 -2.622 1.00 43.15 N ATOM 0 H LYS A 35 -8.493 -11.647 0.134 1.00 42.31 H new ATOM 0 HA LYS A 35 -8.618 -13.444 2.482 1.00 1.54 H new ATOM 0 HB2 LYS A 35 -6.688 -14.570 1.464 1.00 33.21 H new ATOM 0 HB3 LYS A 35 -7.970 -14.453 0.275 1.00 33.21 H new ATOM 0 HG2 LYS A 35 -6.877 -12.607 -0.849 1.00 51.14 H new ATOM 0 HG3 LYS A 35 -5.707 -12.431 0.444 1.00 51.14 H new ATOM 0 HD2 LYS A 35 -4.627 -13.553 -1.404 1.00 71.45 H new ATOM 0 HD3 LYS A 35 -4.800 -14.703 -0.093 1.00 71.45 H new ATOM 0 HE2 LYS A 35 -6.704 -15.762 -1.167 1.00 62.31 H new ATOM 0 HE3 LYS A 35 -6.794 -14.500 -2.380 1.00 62.31 H new ATOM 0 HZ1 LYS A 35 -5.706 -16.470 -3.243 1.00 43.15 H new ATOM 0 HZ2 LYS A 35 -4.611 -15.173 -3.202 1.00 43.15 H new ATOM 0 HZ3 LYS A 35 -4.524 -16.395 -2.027 1.00 43.15 H new ATOM 585 N GLN A 36 -6.191 -12.687 3.375 1.00 75.34 N ATOM 586 CA GLN A 36 -5.087 -12.006 4.052 1.00 70.14 C ATOM 587 C GLN A 36 -3.903 -11.816 3.098 1.00 1.41 C ATOM 588 O GLN A 36 -3.184 -12.768 2.782 1.00 13.42 O ATOM 589 CB GLN A 36 -4.636 -12.780 5.300 1.00 55.52 C ATOM 590 CG GLN A 36 -3.444 -12.138 6.010 1.00 14.31 C ATOM 591 CD GLN A 36 -3.129 -12.774 7.353 1.00 64.14 C ATOM 592 OE1 GLN A 36 -3.352 -13.961 7.566 1.00 41.14 O ATOM 593 NE2 GLN A 36 -2.615 -11.984 8.274 1.00 20.42 N ATOM 0 H GLN A 36 -6.290 -13.674 3.612 1.00 75.34 H new ATOM 0 HA GLN A 36 -5.448 -11.027 4.368 1.00 70.14 H new ATOM 0 HB2 GLN A 36 -5.471 -12.850 5.997 1.00 55.52 H new ATOM 0 HB3 GLN A 36 -4.374 -13.798 5.013 1.00 55.52 H new ATOM 0 HG2 GLN A 36 -2.566 -12.209 5.368 1.00 14.31 H new ATOM 0 HG3 GLN A 36 -3.646 -11.077 6.157 1.00 14.31 H new ATOM 0 HE21 GLN A 36 -2.442 -11.001 8.064 1.00 20.42 H new ATOM 0 HE22 GLN A 36 -2.390 -12.356 9.197 1.00 20.42 H new ATOM 602 N GLY A 37 -3.713 -10.589 2.628 1.00 15.23 N ATOM 603 CA GLY A 37 -2.618 -10.298 1.710 1.00 21.51 C ATOM 604 C GLY A 37 -2.988 -9.294 0.632 1.00 64.42 C ATOM 605 O GLY A 37 -2.148 -8.501 0.209 1.00 4.11 O ATOM 0 H GLY A 37 -4.296 -9.786 2.864 1.00 15.23 H new ATOM 0 HA2 GLY A 37 -1.770 -9.915 2.277 1.00 21.51 H new ATOM 0 HA3 GLY A 37 -2.293 -11.225 1.237 1.00 21.51 H new ATOM 609 N ASP A 38 -4.244 -9.332 0.183 1.00 34.22 N ATOM 610 CA ASP A 38 -4.726 -8.407 -0.848 1.00 44.25 C ATOM 611 C ASP A 38 -4.456 -6.946 -0.456 1.00 4.42 C ATOM 612 O ASP A 38 -4.922 -6.481 0.584 1.00 41.32 O ATOM 613 CB ASP A 38 -6.231 -8.587 -1.074 1.00 2.33 C ATOM 614 CG ASP A 38 -6.621 -10.003 -1.445 1.00 41.44 C ATOM 615 OD1 ASP A 38 -5.828 -10.699 -2.111 1.00 64.15 O ATOM 616 OD2 ASP A 38 -7.736 -10.421 -1.063 1.00 74.40 O ATOM 0 H ASP A 38 -4.946 -9.992 0.516 1.00 34.22 H new ATOM 0 HA ASP A 38 -4.185 -8.636 -1.766 1.00 44.25 H new ATOM 0 HB2 ASP A 38 -6.764 -8.297 -0.168 1.00 2.33 H new ATOM 0 HB3 ASP A 38 -6.555 -7.910 -1.865 1.00 2.33 H new ATOM 621 N PHE A 39 -3.708 -6.226 -1.290 1.00 12.04 N ATOM 622 CA PHE A 39 -3.394 -4.822 -1.019 1.00 34.53 C ATOM 623 C PHE A 39 -3.535 -3.947 -2.273 1.00 43.12 C ATOM 624 O PHE A 39 -3.271 -4.388 -3.396 1.00 10.33 O ATOM 625 CB PHE A 39 -1.973 -4.685 -0.441 1.00 62.02 C ATOM 626 CG PHE A 39 -0.867 -5.087 -1.387 1.00 41.55 C ATOM 627 CD1 PHE A 39 -0.489 -6.418 -1.514 1.00 43.54 C ATOM 628 CD2 PHE A 39 -0.193 -4.134 -2.141 1.00 3.33 C ATOM 629 CE1 PHE A 39 0.532 -6.787 -2.369 1.00 5.55 C ATOM 630 CE2 PHE A 39 0.827 -4.498 -3.000 1.00 33.14 C ATOM 631 CZ PHE A 39 1.190 -5.827 -3.112 1.00 1.31 C ATOM 0 H PHE A 39 -3.309 -6.589 -2.156 1.00 12.04 H new ATOM 0 HA PHE A 39 -4.117 -4.470 -0.284 1.00 34.53 H new ATOM 0 HB2 PHE A 39 -1.816 -3.649 -0.139 1.00 62.02 H new ATOM 0 HB3 PHE A 39 -1.901 -5.294 0.460 1.00 62.02 H new ATOM 0 HD1 PHE A 39 -1.000 -7.174 -0.937 1.00 43.54 H new ATOM 0 HD2 PHE A 39 -0.470 -3.094 -2.055 1.00 3.33 H new ATOM 0 HE1 PHE A 39 0.815 -7.826 -2.456 1.00 5.55 H new ATOM 0 HE2 PHE A 39 1.339 -3.746 -3.582 1.00 33.14 H new ATOM 0 HZ PHE A 39 1.988 -6.114 -3.780 1.00 1.31 H new ATOM 641 N LEU A 40 -3.966 -2.705 -2.066 1.00 3.21 N ATOM 642 CA LEU A 40 -4.011 -1.701 -3.134 1.00 0.33 C ATOM 643 C LEU A 40 -3.641 -0.316 -2.587 1.00 73.11 C ATOM 644 O LEU A 40 -3.960 0.015 -1.443 1.00 33.31 O ATOM 645 CB LEU A 40 -5.402 -1.626 -3.788 1.00 14.20 C ATOM 646 CG LEU A 40 -6.536 -1.081 -2.894 1.00 70.12 C ATOM 647 CD1 LEU A 40 -7.672 -0.516 -3.743 1.00 64.43 C ATOM 648 CD2 LEU A 40 -7.062 -2.169 -1.962 1.00 12.11 C ATOM 0 H LEU A 40 -4.292 -2.365 -1.161 1.00 3.21 H new ATOM 0 HA LEU A 40 -3.287 -2.006 -3.890 1.00 0.33 H new ATOM 0 HB2 LEU A 40 -5.332 -0.998 -4.676 1.00 14.20 H new ATOM 0 HB3 LEU A 40 -5.679 -2.625 -4.125 1.00 14.20 H new ATOM 0 HG LEU A 40 -6.126 -0.275 -2.286 1.00 70.12 H new ATOM 0 HD11 LEU A 40 -8.460 -0.138 -3.091 1.00 64.43 H new ATOM 0 HD12 LEU A 40 -7.293 0.296 -4.364 1.00 64.43 H new ATOM 0 HD13 LEU A 40 -8.075 -1.302 -4.381 1.00 64.43 H new ATOM 0 HD21 LEU A 40 -7.860 -1.762 -1.342 1.00 12.11 H new ATOM 0 HD22 LEU A 40 -7.449 -2.999 -2.553 1.00 12.11 H new ATOM 0 HD23 LEU A 40 -6.253 -2.525 -1.324 1.00 12.11 H new ATOM 660 N VAL A 41 -2.971 0.490 -3.400 1.00 32.13 N ATOM 661 CA VAL A 41 -2.645 1.865 -3.019 1.00 62.43 C ATOM 662 C VAL A 41 -3.552 2.861 -3.747 1.00 74.25 C ATOM 663 O VAL A 41 -3.668 2.837 -4.976 1.00 24.33 O ATOM 664 CB VAL A 41 -1.161 2.207 -3.310 1.00 21.41 C ATOM 665 CG1 VAL A 41 -0.861 3.675 -3.001 1.00 54.30 C ATOM 666 CG2 VAL A 41 -0.232 1.292 -2.515 1.00 4.15 C ATOM 0 H VAL A 41 -2.642 0.220 -4.327 1.00 32.13 H new ATOM 0 HA VAL A 41 -2.810 1.945 -1.945 1.00 62.43 H new ATOM 0 HB VAL A 41 -0.983 2.044 -4.373 1.00 21.41 H new ATOM 0 HG11 VAL A 41 0.187 3.885 -3.215 1.00 54.30 H new ATOM 0 HG12 VAL A 41 -1.492 4.313 -3.619 1.00 54.30 H new ATOM 0 HG13 VAL A 41 -1.064 3.874 -1.949 1.00 54.30 H new ATOM 0 HG21 VAL A 41 0.805 1.548 -2.733 1.00 4.15 H new ATOM 0 HG22 VAL A 41 -0.421 1.419 -1.449 1.00 4.15 H new ATOM 0 HG23 VAL A 41 -0.416 0.255 -2.795 1.00 4.15 H new ATOM 676 N ARG A 42 -4.213 3.719 -2.980 1.00 74.03 N ATOM 677 CA ARG A 42 -5.068 4.762 -3.543 1.00 4.11 C ATOM 678 C ARG A 42 -4.598 6.143 -3.077 1.00 2.44 C ATOM 679 O ARG A 42 -3.785 6.253 -2.165 1.00 45.23 O ATOM 680 CB ARG A 42 -6.535 4.557 -3.118 1.00 20.42 C ATOM 681 CG ARG A 42 -6.798 4.873 -1.644 1.00 42.50 C ATOM 682 CD ARG A 42 -8.281 4.797 -1.292 1.00 24.20 C ATOM 683 NE ARG A 42 -8.567 5.417 0.008 1.00 54.41 N ATOM 684 CZ ARG A 42 -9.558 6.244 0.222 1.00 41.24 C ATOM 685 NH1 ARG A 42 -10.360 6.572 -0.737 1.00 11.22 N ATOM 686 NH2 ARG A 42 -9.742 6.754 1.398 1.00 24.43 N ATOM 0 H ARG A 42 -4.174 3.714 -1.961 1.00 74.03 H new ATOM 0 HA ARG A 42 -5.000 4.700 -4.629 1.00 4.11 H new ATOM 0 HB2 ARG A 42 -7.174 5.188 -3.735 1.00 20.42 H new ATOM 0 HB3 ARG A 42 -6.820 3.524 -3.316 1.00 20.42 H new ATOM 0 HG2 ARG A 42 -6.242 4.173 -1.020 1.00 42.50 H new ATOM 0 HG3 ARG A 42 -6.423 5.871 -1.416 1.00 42.50 H new ATOM 0 HD2 ARG A 42 -8.864 5.294 -2.067 1.00 24.20 H new ATOM 0 HD3 ARG A 42 -8.597 3.754 -1.274 1.00 24.20 H new ATOM 0 HE ARG A 42 -7.956 5.189 0.792 1.00 54.41 H new ATOM 0 HH11 ARG A 42 -10.223 6.185 -1.671 1.00 11.22 H new ATOM 0 HH12 ARG A 42 -11.130 7.218 -0.560 1.00 11.22 H new ATOM 0 HH21 ARG A 42 -9.113 6.512 2.163 1.00 24.43 H new ATOM 0 HH22 ARG A 42 -10.516 7.398 1.559 1.00 24.43 H new ATOM 700 N GLU A 43 -5.108 7.192 -3.700 1.00 60.24 N ATOM 701 CA GLU A 43 -4.902 8.551 -3.200 1.00 12.53 C ATOM 702 C GLU A 43 -6.179 9.032 -2.502 1.00 61.24 C ATOM 703 O GLU A 43 -7.285 8.683 -2.913 1.00 51.14 O ATOM 704 CB GLU A 43 -4.518 9.503 -4.345 1.00 23.34 C ATOM 705 CG GLU A 43 -4.110 10.898 -3.873 1.00 54.25 C ATOM 706 CD GLU A 43 -3.681 11.807 -5.013 1.00 2.35 C ATOM 707 OE1 GLU A 43 -4.550 12.236 -5.800 1.00 54.32 O ATOM 708 OE2 GLU A 43 -2.471 12.105 -5.121 1.00 1.32 O ATOM 0 H GLU A 43 -5.667 7.135 -4.551 1.00 60.24 H new ATOM 0 HA GLU A 43 -4.080 8.547 -2.484 1.00 12.53 H new ATOM 0 HB2 GLU A 43 -3.695 9.065 -4.909 1.00 23.34 H new ATOM 0 HB3 GLU A 43 -5.362 9.593 -5.029 1.00 23.34 H new ATOM 0 HG2 GLU A 43 -4.946 11.356 -3.345 1.00 54.25 H new ATOM 0 HG3 GLU A 43 -3.292 10.809 -3.158 1.00 54.25 H new ATOM 715 N SER A 44 -6.033 9.809 -1.435 1.00 45.23 N ATOM 716 CA SER A 44 -7.193 10.286 -0.674 1.00 11.23 C ATOM 717 C SER A 44 -8.111 11.145 -1.550 1.00 64.23 C ATOM 718 O SER A 44 -7.680 12.142 -2.134 1.00 54.01 O ATOM 719 CB SER A 44 -6.753 11.083 0.558 1.00 1.42 C ATOM 720 OG SER A 44 -7.875 11.478 1.337 1.00 33.11 O ATOM 0 H SER A 44 -5.132 10.123 -1.075 1.00 45.23 H new ATOM 0 HA SER A 44 -7.749 9.409 -0.342 1.00 11.23 H new ATOM 0 HB2 SER A 44 -6.079 10.478 1.165 1.00 1.42 H new ATOM 0 HB3 SER A 44 -6.195 11.965 0.245 1.00 1.42 H new ATOM 0 HG SER A 44 -7.569 11.984 2.119 1.00 33.11 H new ATOM 794 N GLU A 50 -1.775 12.521 -0.486 1.00 63.24 N ATOM 795 CA GLU A 50 -1.922 11.540 0.596 1.00 25.03 C ATOM 796 C GLU A 50 -2.375 10.179 0.046 1.00 5.43 C ATOM 797 O GLU A 50 -3.547 9.982 -0.269 1.00 61.22 O ATOM 798 CB GLU A 50 -2.919 12.039 1.652 1.00 44.21 C ATOM 799 CG GLU A 50 -3.090 11.083 2.831 1.00 10.23 C ATOM 800 CD GLU A 50 -4.018 11.621 3.908 1.00 71.52 C ATOM 801 OE1 GLU A 50 -3.561 12.440 4.738 1.00 43.11 O ATOM 802 OE2 GLU A 50 -5.208 11.231 3.934 1.00 3.24 O ATOM 0 HA GLU A 50 -0.947 11.416 1.067 1.00 25.03 H new ATOM 0 HB2 GLU A 50 -2.586 13.007 2.025 1.00 44.21 H new ATOM 0 HB3 GLU A 50 -3.888 12.196 1.179 1.00 44.21 H new ATOM 0 HG2 GLU A 50 -3.480 10.133 2.466 1.00 10.23 H new ATOM 0 HG3 GLU A 50 -2.113 10.880 3.270 1.00 10.23 H new ATOM 809 N TYR A 51 -1.435 9.250 -0.078 1.00 4.31 N ATOM 810 CA TYR A 51 -1.731 7.912 -0.599 1.00 63.32 C ATOM 811 C TYR A 51 -2.045 6.924 0.535 1.00 52.03 C ATOM 812 O TYR A 51 -1.257 6.757 1.466 1.00 74.10 O ATOM 813 CB TYR A 51 -0.555 7.397 -1.435 1.00 61.44 C ATOM 814 CG TYR A 51 -0.311 8.202 -2.697 1.00 43.00 C ATOM 815 CD1 TYR A 51 0.180 9.503 -2.633 1.00 32.54 C ATOM 816 CD2 TYR A 51 -0.567 7.661 -3.953 1.00 60.01 C ATOM 817 CE1 TYR A 51 0.407 10.237 -3.781 1.00 11.35 C ATOM 818 CE2 TYR A 51 -0.338 8.389 -5.103 1.00 4.22 C ATOM 819 CZ TYR A 51 0.147 9.678 -5.012 1.00 53.54 C ATOM 820 OH TYR A 51 0.382 10.399 -6.161 1.00 52.44 O ATOM 0 H TYR A 51 -0.457 9.395 0.175 1.00 4.31 H new ATOM 0 HA TYR A 51 -2.615 7.989 -1.232 1.00 63.32 H new ATOM 0 HB2 TYR A 51 0.348 7.411 -0.825 1.00 61.44 H new ATOM 0 HB3 TYR A 51 -0.740 6.358 -1.707 1.00 61.44 H new ATOM 0 HD1 TYR A 51 0.387 9.946 -1.670 1.00 32.54 H new ATOM 0 HD2 TYR A 51 -0.951 6.655 -4.029 1.00 60.01 H new ATOM 0 HE1 TYR A 51 0.787 11.246 -3.713 1.00 11.35 H new ATOM 0 HE2 TYR A 51 -0.538 7.952 -6.070 1.00 4.22 H new ATOM 0 HH TYR A 51 0.146 9.856 -6.942 1.00 52.44 H new ATOM 830 N VAL A 52 -3.200 6.276 0.445 1.00 23.33 N ATOM 831 CA VAL A 52 -3.647 5.326 1.466 1.00 70.44 C ATOM 832 C VAL A 52 -3.554 3.872 0.969 1.00 74.33 C ATOM 833 O VAL A 52 -4.199 3.491 -0.012 1.00 4.41 O ATOM 834 CB VAL A 52 -5.104 5.623 1.902 1.00 1.23 C ATOM 835 CG1 VAL A 52 -5.551 4.670 3.014 1.00 20.43 C ATOM 836 CG2 VAL A 52 -5.246 7.082 2.341 1.00 30.22 C ATOM 0 H VAL A 52 -3.852 6.390 -0.331 1.00 23.33 H new ATOM 0 HA VAL A 52 -2.982 5.447 2.321 1.00 70.44 H new ATOM 0 HB VAL A 52 -5.756 5.459 1.044 1.00 1.23 H new ATOM 0 HG11 VAL A 52 -6.577 4.901 3.301 1.00 20.43 H new ATOM 0 HG12 VAL A 52 -5.497 3.642 2.656 1.00 20.43 H new ATOM 0 HG13 VAL A 52 -4.898 4.788 3.878 1.00 20.43 H new ATOM 0 HG21 VAL A 52 -6.276 7.272 2.644 1.00 30.22 H new ATOM 0 HG22 VAL A 52 -4.579 7.276 3.181 1.00 30.22 H new ATOM 0 HG23 VAL A 52 -4.984 7.739 1.511 1.00 30.22 H new ATOM 846 N LEU A 53 -2.757 3.065 1.662 1.00 41.34 N ATOM 847 CA LEU A 53 -2.627 1.638 1.358 1.00 54.24 C ATOM 848 C LEU A 53 -3.701 0.825 2.094 1.00 23.31 C ATOM 849 O LEU A 53 -3.833 0.908 3.314 1.00 4.54 O ATOM 850 CB LEU A 53 -1.233 1.135 1.767 1.00 41.25 C ATOM 851 CG LEU A 53 -1.014 -0.390 1.653 1.00 44.24 C ATOM 852 CD1 LEU A 53 -1.089 -0.851 0.199 1.00 32.24 C ATOM 853 CD2 LEU A 53 0.318 -0.797 2.279 1.00 14.33 C ATOM 0 H LEU A 53 -2.184 3.376 2.447 1.00 41.34 H new ATOM 0 HA LEU A 53 -2.760 1.506 0.284 1.00 54.24 H new ATOM 0 HB2 LEU A 53 -0.489 1.638 1.149 1.00 41.25 H new ATOM 0 HB3 LEU A 53 -1.046 1.435 2.798 1.00 41.25 H new ATOM 0 HG LEU A 53 -1.815 -0.882 2.204 1.00 44.24 H new ATOM 0 HD11 LEU A 53 -0.931 -1.928 0.150 1.00 32.24 H new ATOM 0 HD12 LEU A 53 -2.070 -0.609 -0.209 1.00 32.24 H new ATOM 0 HD13 LEU A 53 -0.319 -0.345 -0.383 1.00 32.24 H new ATOM 0 HD21 LEU A 53 0.449 -1.875 2.186 1.00 14.33 H new ATOM 0 HD22 LEU A 53 1.133 -0.287 1.765 1.00 14.33 H new ATOM 0 HD23 LEU A 53 0.324 -0.520 3.333 1.00 14.33 H new ATOM 865 N SER A 54 -4.468 0.045 1.345 1.00 40.31 N ATOM 866 CA SER A 54 -5.520 -0.799 1.925 1.00 75.34 C ATOM 867 C SER A 54 -5.199 -2.284 1.731 1.00 70.24 C ATOM 868 O SER A 54 -5.337 -2.819 0.633 1.00 20.40 O ATOM 869 CB SER A 54 -6.880 -0.469 1.297 1.00 12.11 C ATOM 870 OG SER A 54 -7.228 0.891 1.512 1.00 62.42 O ATOM 0 H SER A 54 -4.386 -0.025 0.331 1.00 40.31 H new ATOM 0 HA SER A 54 -5.565 -0.593 2.994 1.00 75.34 H new ATOM 0 HB2 SER A 54 -6.849 -0.674 0.227 1.00 12.11 H new ATOM 0 HB3 SER A 54 -7.647 -1.115 1.724 1.00 12.11 H new ATOM 0 HG SER A 54 -7.156 1.100 2.467 1.00 62.42 H new ATOM 876 N VAL A 55 -4.758 -2.938 2.802 1.00 12.45 N ATOM 877 CA VAL A 55 -4.417 -4.364 2.762 1.00 3.20 C ATOM 878 C VAL A 55 -5.265 -5.168 3.761 1.00 74.15 C ATOM 879 O VAL A 55 -5.440 -4.765 4.908 1.00 41.21 O ATOM 880 CB VAL A 55 -2.909 -4.589 3.052 1.00 4.01 C ATOM 881 CG1 VAL A 55 -2.504 -3.950 4.380 1.00 25.23 C ATOM 882 CG2 VAL A 55 -2.560 -6.079 3.028 1.00 63.12 C ATOM 0 H VAL A 55 -4.627 -2.503 3.715 1.00 12.45 H new ATOM 0 HA VAL A 55 -4.636 -4.719 1.755 1.00 3.20 H new ATOM 0 HB VAL A 55 -2.340 -4.101 2.260 1.00 4.01 H new ATOM 0 HG11 VAL A 55 -1.443 -4.123 4.558 1.00 25.23 H new ATOM 0 HG12 VAL A 55 -2.696 -2.878 4.341 1.00 25.23 H new ATOM 0 HG13 VAL A 55 -3.085 -4.393 5.189 1.00 25.23 H new ATOM 0 HG21 VAL A 55 -1.497 -6.207 3.234 1.00 63.12 H new ATOM 0 HG22 VAL A 55 -3.143 -6.601 3.787 1.00 63.12 H new ATOM 0 HG23 VAL A 55 -2.791 -6.491 2.046 1.00 63.12 H new ATOM 892 N TYR A 56 -5.802 -6.298 3.318 1.00 44.24 N ATOM 893 CA TYR A 56 -6.635 -7.144 4.178 1.00 31.32 C ATOM 894 C TYR A 56 -5.761 -8.106 4.996 1.00 52.43 C ATOM 895 O TYR A 56 -5.095 -8.975 4.440 1.00 2.04 O ATOM 896 CB TYR A 56 -7.635 -7.929 3.317 1.00 52.11 C ATOM 897 CG TYR A 56 -8.793 -8.546 4.089 1.00 63.41 C ATOM 898 CD1 TYR A 56 -8.664 -9.777 4.730 1.00 0.35 C ATOM 899 CD2 TYR A 56 -10.024 -7.898 4.165 1.00 4.12 C ATOM 900 CE1 TYR A 56 -9.725 -10.338 5.419 1.00 14.40 C ATOM 901 CE2 TYR A 56 -11.085 -8.455 4.851 1.00 55.51 C ATOM 902 CZ TYR A 56 -10.932 -9.673 5.476 1.00 52.44 C ATOM 903 OH TYR A 56 -11.992 -10.228 6.162 1.00 12.33 O ATOM 0 H TYR A 56 -5.679 -6.654 2.370 1.00 44.24 H new ATOM 0 HA TYR A 56 -7.185 -6.510 4.873 1.00 31.32 H new ATOM 0 HB2 TYR A 56 -8.039 -7.263 2.555 1.00 52.11 H new ATOM 0 HB3 TYR A 56 -7.100 -8.723 2.796 1.00 52.11 H new ATOM 0 HD1 TYR A 56 -7.721 -10.301 4.688 1.00 0.35 H new ATOM 0 HD2 TYR A 56 -10.151 -6.942 3.678 1.00 4.12 H new ATOM 0 HE1 TYR A 56 -9.608 -11.293 5.910 1.00 14.40 H new ATOM 0 HE2 TYR A 56 -12.032 -7.937 4.897 1.00 55.51 H new ATOM 0 HH TYR A 56 -12.013 -9.873 7.075 1.00 12.33 H new ATOM 913 N SER A 57 -5.747 -7.938 6.315 1.00 42.44 N ATOM 914 CA SER A 57 -4.944 -8.803 7.192 1.00 45.52 C ATOM 915 C SER A 57 -5.624 -9.015 8.546 1.00 2.21 C ATOM 916 O SER A 57 -6.237 -8.098 9.094 1.00 72.15 O ATOM 917 CB SER A 57 -3.539 -8.224 7.405 1.00 31.20 C ATOM 918 OG SER A 57 -2.734 -9.100 8.184 1.00 4.24 O ATOM 0 H SER A 57 -6.277 -7.217 6.804 1.00 42.44 H new ATOM 0 HA SER A 57 -4.857 -9.768 6.693 1.00 45.52 H new ATOM 0 HB2 SER A 57 -3.064 -8.052 6.439 1.00 31.20 H new ATOM 0 HB3 SER A 57 -3.613 -7.256 7.901 1.00 31.20 H new ATOM 0 HG SER A 57 -2.957 -8.992 9.132 1.00 4.24 H new ATOM 924 N ASP A 58 -5.534 -10.243 9.064 1.00 45.23 N ATOM 925 CA ASP A 58 -6.092 -10.587 10.381 1.00 15.42 C ATOM 926 C ASP A 58 -7.623 -10.415 10.414 1.00 32.43 C ATOM 927 O ASP A 58 -8.218 -10.224 11.478 1.00 61.54 O ATOM 928 CB ASP A 58 -5.427 -9.738 11.477 1.00 12.21 C ATOM 929 CG ASP A 58 -3.917 -9.905 11.493 1.00 3.45 C ATOM 930 OD1 ASP A 58 -3.439 -10.962 11.953 1.00 1.15 O ATOM 931 OD2 ASP A 58 -3.199 -8.983 11.044 1.00 42.35 O ATOM 0 H ASP A 58 -5.077 -11.022 8.590 1.00 45.23 H new ATOM 0 HA ASP A 58 -5.879 -11.639 10.570 1.00 15.42 H new ATOM 0 HB2 ASP A 58 -5.673 -8.688 11.321 1.00 12.21 H new ATOM 0 HB3 ASP A 58 -5.833 -10.019 12.449 1.00 12.21 H new ATOM 936 N GLY A 59 -8.252 -10.505 9.244 1.00 31.51 N ATOM 937 CA GLY A 59 -9.702 -10.362 9.146 1.00 72.35 C ATOM 938 C GLY A 59 -10.168 -8.917 8.986 1.00 5.12 C ATOM 939 O GLY A 59 -11.346 -8.667 8.734 1.00 35.34 O ATOM 0 H GLY A 59 -7.783 -10.675 8.355 1.00 31.51 H new ATOM 0 HA2 GLY A 59 -10.059 -10.945 8.297 1.00 72.35 H new ATOM 0 HA3 GLY A 59 -10.161 -10.785 10.039 1.00 72.35 H new ATOM 943 N GLN A 60 -9.247 -7.965 9.117 1.00 71.23 N ATOM 944 CA GLN A 60 -9.587 -6.538 9.035 1.00 20.20 C ATOM 945 C GLN A 60 -9.023 -5.896 7.761 1.00 74.25 C ATOM 946 O GLN A 60 -8.045 -6.381 7.184 1.00 35.04 O ATOM 947 CB GLN A 60 -9.010 -5.789 10.246 1.00 22.04 C ATOM 948 CG GLN A 60 -9.370 -6.395 11.597 1.00 14.53 C ATOM 949 CD GLN A 60 -8.791 -5.605 12.763 1.00 52.31 C ATOM 950 OE1 GLN A 60 -7.746 -4.966 12.642 1.00 21.24 O ATOM 951 NE2 GLN A 60 -9.457 -5.642 13.897 1.00 4.13 N ATOM 0 H GLN A 60 -8.258 -8.151 9.281 1.00 71.23 H new ATOM 0 HA GLN A 60 -10.674 -6.465 9.020 1.00 20.20 H new ATOM 0 HB2 GLN A 60 -7.924 -5.758 10.154 1.00 22.04 H new ATOM 0 HB3 GLN A 60 -9.361 -4.758 10.220 1.00 22.04 H new ATOM 0 HG2 GLN A 60 -10.455 -6.438 11.695 1.00 14.53 H new ATOM 0 HG3 GLN A 60 -9.005 -7.421 11.640 1.00 14.53 H new ATOM 0 HE21 GLN A 60 -10.320 -6.181 13.964 1.00 4.13 H new ATOM 0 HE22 GLN A 60 -9.110 -5.131 14.709 1.00 4.13 H new ATOM 960 N ARG A 61 -9.637 -4.797 7.324 1.00 31.31 N ATOM 961 CA ARG A 61 -9.032 -3.956 6.291 1.00 31.21 C ATOM 962 C ARG A 61 -8.016 -3.004 6.936 1.00 34.10 C ATOM 963 O ARG A 61 -8.387 -2.001 7.547 1.00 13.44 O ATOM 964 CB ARG A 61 -10.094 -3.141 5.528 1.00 3.31 C ATOM 965 CG ARG A 61 -10.863 -3.921 4.462 1.00 52.11 C ATOM 966 CD ARG A 61 -11.978 -4.788 5.038 1.00 61.45 C ATOM 967 NE ARG A 61 -12.788 -5.377 3.974 1.00 41.32 N ATOM 968 CZ ARG A 61 -14.016 -5.801 4.120 1.00 14.44 C ATOM 969 NH1 ARG A 61 -14.609 -5.749 5.273 1.00 71.44 N ATOM 970 NH2 ARG A 61 -14.651 -6.272 3.099 1.00 20.32 N ATOM 0 H ARG A 61 -10.542 -4.471 7.664 1.00 31.31 H new ATOM 0 HA ARG A 61 -8.532 -4.608 5.575 1.00 31.21 H new ATOM 0 HB2 ARG A 61 -10.807 -2.738 6.247 1.00 3.31 H new ATOM 0 HB3 ARG A 61 -9.605 -2.290 5.053 1.00 3.31 H new ATOM 0 HG2 ARG A 61 -11.291 -3.219 3.746 1.00 52.11 H new ATOM 0 HG3 ARG A 61 -10.167 -4.554 3.912 1.00 52.11 H new ATOM 0 HD2 ARG A 61 -11.548 -5.579 5.652 1.00 61.45 H new ATOM 0 HD3 ARG A 61 -12.611 -4.186 5.691 1.00 61.45 H new ATOM 0 HE ARG A 61 -12.364 -5.464 3.050 1.00 41.32 H new ATOM 0 HH11 ARG A 61 -14.117 -5.373 6.083 1.00 71.44 H new ATOM 0 HH12 ARG A 61 -15.568 -6.084 5.369 1.00 71.44 H new ATOM 0 HH21 ARG A 61 -14.194 -6.311 2.188 1.00 20.32 H new ATOM 0 HH22 ARG A 61 -15.609 -6.605 3.204 1.00 20.32 H new ATOM 984 N ARG A 62 -6.738 -3.323 6.797 1.00 0.23 N ATOM 985 CA ARG A 62 -5.665 -2.521 7.393 1.00 55.15 C ATOM 986 C ARG A 62 -5.297 -1.341 6.479 1.00 14.54 C ATOM 987 O ARG A 62 -4.703 -1.529 5.415 1.00 14.15 O ATOM 988 CB ARG A 62 -4.434 -3.408 7.647 1.00 51.03 C ATOM 989 CG ARG A 62 -4.742 -4.685 8.433 1.00 73.50 C ATOM 990 CD ARG A 62 -5.189 -4.394 9.864 1.00 34.04 C ATOM 991 NE ARG A 62 -4.111 -3.831 10.672 1.00 40.21 N ATOM 992 CZ ARG A 62 -4.268 -3.334 11.867 1.00 74.42 C ATOM 993 NH1 ARG A 62 -5.433 -3.317 12.433 1.00 30.31 N ATOM 994 NH2 ARG A 62 -3.245 -2.868 12.501 1.00 30.34 N ATOM 0 H ARG A 62 -6.411 -4.136 6.274 1.00 0.23 H new ATOM 0 HA ARG A 62 -6.015 -2.117 8.343 1.00 55.15 H new ATOM 0 HB2 ARG A 62 -3.991 -3.680 6.689 1.00 51.03 H new ATOM 0 HB3 ARG A 62 -3.687 -2.829 8.191 1.00 51.03 H new ATOM 0 HG2 ARG A 62 -5.522 -5.246 7.918 1.00 73.50 H new ATOM 0 HG3 ARG A 62 -3.855 -5.318 8.454 1.00 73.50 H new ATOM 0 HD2 ARG A 62 -6.029 -3.700 9.847 1.00 34.04 H new ATOM 0 HD3 ARG A 62 -5.545 -5.314 10.326 1.00 34.04 H new ATOM 0 HE ARG A 62 -3.172 -3.826 10.275 1.00 40.21 H new ATOM 0 HH11 ARG A 62 -6.244 -3.696 11.943 1.00 30.31 H new ATOM 0 HH12 ARG A 62 -5.540 -2.925 13.368 1.00 30.31 H new ATOM 0 HH21 ARG A 62 -2.322 -2.890 12.067 1.00 30.34 H new ATOM 0 HH22 ARG A 62 -3.359 -2.477 13.436 1.00 30.34 H new ATOM 1008 N HIS A 63 -5.667 -0.128 6.886 1.00 41.43 N ATOM 1009 CA HIS A 63 -5.404 1.068 6.079 1.00 14.31 C ATOM 1010 C HIS A 63 -4.219 1.876 6.632 1.00 4.04 C ATOM 1011 O HIS A 63 -4.266 2.387 7.752 1.00 62.43 O ATOM 1012 CB HIS A 63 -6.653 1.954 6.014 1.00 44.21 C ATOM 1013 CG HIS A 63 -7.864 1.252 5.471 1.00 13.22 C ATOM 1014 ND1 HIS A 63 -8.084 1.044 4.123 1.00 62.33 N ATOM 1015 CD2 HIS A 63 -8.935 0.717 6.104 1.00 4.32 C ATOM 1016 CE1 HIS A 63 -9.233 0.420 3.958 1.00 64.54 C ATOM 1017 NE2 HIS A 63 -9.767 0.208 5.140 1.00 52.44 N ATOM 0 H HIS A 63 -6.148 0.055 7.766 1.00 41.43 H new ATOM 0 HA HIS A 63 -5.145 0.734 5.074 1.00 14.31 H new ATOM 0 HB2 HIS A 63 -6.877 2.325 7.014 1.00 44.21 H new ATOM 0 HB3 HIS A 63 -6.439 2.823 5.392 1.00 44.21 H new ATOM 0 HD2 HIS A 63 -9.103 0.695 7.171 1.00 4.32 H new ATOM 0 HE1 HIS A 63 -9.664 0.131 3.011 1.00 64.54 H new ATOM 0 HE2 HIS A 63 -10.657 -0.260 5.313 1.00 52.44 H new ATOM 1026 N PHE A 64 -3.165 1.994 5.830 1.00 32.11 N ATOM 1027 CA PHE A 64 -1.976 2.767 6.200 1.00 32.23 C ATOM 1028 C PHE A 64 -1.819 3.984 5.278 1.00 20.11 C ATOM 1029 O PHE A 64 -2.298 3.978 4.146 1.00 3.11 O ATOM 1030 CB PHE A 64 -0.722 1.883 6.116 1.00 64.42 C ATOM 1031 CG PHE A 64 -0.834 0.597 6.897 1.00 50.13 C ATOM 1032 CD1 PHE A 64 -0.737 0.596 8.281 1.00 53.24 C ATOM 1033 CD2 PHE A 64 -1.036 -0.612 6.244 1.00 51.31 C ATOM 1034 CE1 PHE A 64 -0.840 -0.583 8.994 1.00 43.14 C ATOM 1035 CE2 PHE A 64 -1.139 -1.793 6.953 1.00 1.33 C ATOM 1036 CZ PHE A 64 -1.040 -1.777 8.331 1.00 52.22 C ATOM 0 H PHE A 64 -3.107 1.560 4.909 1.00 32.11 H new ATOM 0 HA PHE A 64 -2.097 3.117 7.225 1.00 32.23 H new ATOM 0 HB2 PHE A 64 -0.524 1.647 5.070 1.00 64.42 H new ATOM 0 HB3 PHE A 64 0.135 2.447 6.483 1.00 64.42 H new ATOM 0 HD1 PHE A 64 -0.579 1.526 8.806 1.00 53.24 H new ATOM 0 HD2 PHE A 64 -1.114 -0.629 5.167 1.00 51.31 H new ATOM 0 HE1 PHE A 64 -0.764 -0.570 10.071 1.00 43.14 H new ATOM 0 HE2 PHE A 64 -1.296 -2.726 6.432 1.00 1.33 H new ATOM 0 HZ PHE A 64 -1.119 -2.698 8.889 1.00 52.22 H new ATOM 1046 N ILE A 65 -1.157 5.029 5.763 1.00 44.55 N ATOM 1047 CA ILE A 65 -0.944 6.242 4.962 1.00 54.42 C ATOM 1048 C ILE A 65 0.542 6.433 4.623 1.00 33.05 C ATOM 1049 O ILE A 65 1.410 6.254 5.475 1.00 72.13 O ATOM 1050 CB ILE A 65 -1.483 7.502 5.694 1.00 53.11 C ATOM 1051 CG1 ILE A 65 -2.999 7.367 5.925 1.00 32.44 C ATOM 1052 CG2 ILE A 65 -1.169 8.772 4.899 1.00 73.44 C ATOM 1053 CD1 ILE A 65 -3.625 8.541 6.654 1.00 1.32 C ATOM 0 H ILE A 65 -0.758 5.067 6.701 1.00 44.55 H new ATOM 0 HA ILE A 65 -1.499 6.114 4.033 1.00 54.42 H new ATOM 0 HB ILE A 65 -0.985 7.581 6.660 1.00 53.11 H new ATOM 0 HG12 ILE A 65 -3.493 7.248 4.961 1.00 32.44 H new ATOM 0 HG13 ILE A 65 -3.189 6.457 6.495 1.00 32.44 H new ATOM 0 HG21 ILE A 65 -1.557 9.640 5.432 1.00 73.44 H new ATOM 0 HG22 ILE A 65 -0.090 8.870 4.782 1.00 73.44 H new ATOM 0 HG23 ILE A 65 -1.637 8.711 3.916 1.00 73.44 H new ATOM 0 HD11 ILE A 65 -4.694 8.366 6.776 1.00 1.32 H new ATOM 0 HD12 ILE A 65 -3.161 8.650 7.634 1.00 1.32 H new ATOM 0 HD13 ILE A 65 -3.470 9.452 6.076 1.00 1.32 H new ATOM 1065 N ILE A 66 0.826 6.790 3.373 1.00 22.11 N ATOM 1066 CA ILE A 66 2.201 7.037 2.928 1.00 4.25 C ATOM 1067 C ILE A 66 2.634 8.480 3.233 1.00 73.30 C ATOM 1068 O ILE A 66 2.125 9.430 2.634 1.00 4.44 O ATOM 1069 CB ILE A 66 2.360 6.779 1.404 1.00 63.24 C ATOM 1070 CG1 ILE A 66 1.894 5.359 1.041 1.00 55.34 C ATOM 1071 CG2 ILE A 66 3.809 6.996 0.969 1.00 14.35 C ATOM 1072 CD1 ILE A 66 2.019 5.018 -0.432 1.00 2.14 C ATOM 0 H ILE A 66 0.122 6.916 2.646 1.00 22.11 H new ATOM 0 HA ILE A 66 2.837 6.343 3.478 1.00 4.25 H new ATOM 0 HB ILE A 66 1.731 7.492 0.871 1.00 63.24 H new ATOM 0 HG12 ILE A 66 2.475 4.640 1.619 1.00 55.34 H new ATOM 0 HG13 ILE A 66 0.853 5.243 1.342 1.00 55.34 H new ATOM 0 HG21 ILE A 66 3.899 6.810 -0.101 1.00 14.35 H new ATOM 0 HG22 ILE A 66 4.104 8.023 1.185 1.00 14.35 H new ATOM 0 HG23 ILE A 66 4.459 6.310 1.512 1.00 14.35 H new ATOM 0 HD11 ILE A 66 1.669 4.000 -0.601 1.00 2.14 H new ATOM 0 HD12 ILE A 66 1.415 5.711 -1.018 1.00 2.14 H new ATOM 0 HD13 ILE A 66 3.062 5.098 -0.737 1.00 2.14 H new ATOM 1084 N GLN A 67 3.567 8.644 4.170 1.00 53.20 N ATOM 1085 CA GLN A 67 4.098 9.972 4.488 1.00 44.24 C ATOM 1086 C GLN A 67 5.279 10.326 3.573 1.00 10.14 C ATOM 1087 O GLN A 67 6.177 9.512 3.350 1.00 72.21 O ATOM 1088 CB GLN A 67 4.540 10.062 5.959 1.00 24.01 C ATOM 1089 CG GLN A 67 3.408 9.878 6.973 1.00 45.50 C ATOM 1090 CD GLN A 67 2.992 8.429 7.160 1.00 40.15 C ATOM 1091 OE1 GLN A 67 3.796 7.511 7.031 1.00 61.24 O ATOM 1092 NE2 GLN A 67 1.737 8.208 7.487 1.00 0.32 N ATOM 0 H GLN A 67 3.969 7.883 4.718 1.00 53.20 H new ATOM 0 HA GLN A 67 3.293 10.688 4.322 1.00 44.24 H new ATOM 0 HB2 GLN A 67 5.303 9.305 6.143 1.00 24.01 H new ATOM 0 HB3 GLN A 67 5.007 11.033 6.126 1.00 24.01 H new ATOM 0 HG2 GLN A 67 3.722 10.284 7.934 1.00 45.50 H new ATOM 0 HG3 GLN A 67 2.543 10.457 6.649 1.00 45.50 H new ATOM 0 HE21 GLN A 67 1.091 8.991 7.587 1.00 0.32 H new ATOM 0 HE22 GLN A 67 1.410 7.254 7.640 1.00 0.32 H new ATOM 1101 N TYR A 68 5.270 11.544 3.040 1.00 63.12 N ATOM 1102 CA TYR A 68 6.360 12.024 2.190 1.00 74.34 C ATOM 1103 C TYR A 68 7.294 12.938 2.996 1.00 71.55 C ATOM 1104 O TYR A 68 7.013 14.121 3.184 1.00 32.24 O ATOM 1105 CB TYR A 68 5.785 12.766 0.972 1.00 64.42 C ATOM 1106 CG TYR A 68 6.820 13.191 -0.057 1.00 33.30 C ATOM 1107 CD1 TYR A 68 7.587 12.246 -0.730 1.00 33.44 C ATOM 1108 CD2 TYR A 68 7.015 14.533 -0.371 1.00 30.42 C ATOM 1109 CE1 TYR A 68 8.514 12.625 -1.681 1.00 3.04 C ATOM 1110 CE2 TYR A 68 7.943 14.918 -1.319 1.00 24.23 C ATOM 1111 CZ TYR A 68 8.690 13.961 -1.972 1.00 41.55 C ATOM 1112 OH TYR A 68 9.610 14.340 -2.926 1.00 35.21 O ATOM 0 H TYR A 68 4.519 12.220 3.181 1.00 63.12 H new ATOM 0 HA TYR A 68 6.940 11.173 1.834 1.00 74.34 H new ATOM 0 HB2 TYR A 68 5.051 12.124 0.486 1.00 64.42 H new ATOM 0 HB3 TYR A 68 5.253 13.652 1.320 1.00 64.42 H new ATOM 0 HD1 TYR A 68 7.455 11.198 -0.505 1.00 33.44 H new ATOM 0 HD2 TYR A 68 6.430 15.287 0.136 1.00 30.42 H new ATOM 0 HE1 TYR A 68 9.099 11.877 -2.195 1.00 3.04 H new ATOM 0 HE2 TYR A 68 8.083 15.964 -1.548 1.00 24.23 H new ATOM 0 HH TYR A 68 9.610 15.316 -3.011 1.00 35.21 H new ATOM 1122 N VAL A 69 8.395 12.370 3.487 1.00 0.21 N ATOM 1123 CA VAL A 69 9.341 13.096 4.353 1.00 1.40 C ATOM 1124 C VAL A 69 10.786 12.903 3.864 1.00 53.04 C ATOM 1125 O VAL A 69 11.131 11.839 3.348 1.00 54.12 O ATOM 1126 CB VAL A 69 9.239 12.619 5.828 1.00 71.34 C ATOM 1127 CG1 VAL A 69 10.133 13.458 6.740 1.00 15.12 C ATOM 1128 CG2 VAL A 69 7.790 12.647 6.315 1.00 21.14 C ATOM 0 H VAL A 69 8.660 11.403 3.302 1.00 0.21 H new ATOM 0 HA VAL A 69 9.076 14.152 4.303 1.00 1.40 H new ATOM 0 HB VAL A 69 9.589 11.588 5.868 1.00 71.34 H new ATOM 0 HG11 VAL A 69 10.042 13.102 7.766 1.00 15.12 H new ATOM 0 HG12 VAL A 69 11.170 13.368 6.416 1.00 15.12 H new ATOM 0 HG13 VAL A 69 9.826 14.503 6.690 1.00 15.12 H new ATOM 0 HG21 VAL A 69 7.747 12.308 7.350 1.00 21.14 H new ATOM 0 HG22 VAL A 69 7.404 13.664 6.250 1.00 21.14 H new ATOM 0 HG23 VAL A 69 7.184 11.988 5.693 1.00 21.14 H new ATOM 1138 N ASP A 70 11.615 13.946 4.005 1.00 12.42 N ATOM 1139 CA ASP A 70 13.013 13.915 3.536 1.00 60.42 C ATOM 1140 C ASP A 70 13.081 13.689 2.010 1.00 72.25 C ATOM 1141 O ASP A 70 14.117 13.285 1.478 1.00 54.22 O ATOM 1142 CB ASP A 70 13.814 12.818 4.265 1.00 73.43 C ATOM 1143 CG ASP A 70 13.802 12.973 5.780 1.00 45.34 C ATOM 1144 OD1 ASP A 70 14.331 13.982 6.285 1.00 32.42 O ATOM 1145 OD2 ASP A 70 13.282 12.071 6.475 1.00 32.12 O ATOM 0 H ASP A 70 11.343 14.827 4.442 1.00 12.42 H new ATOM 0 HA ASP A 70 13.458 14.884 3.764 1.00 60.42 H new ATOM 0 HB2 ASP A 70 13.404 11.843 4.003 1.00 73.43 H new ATOM 0 HB3 ASP A 70 14.845 12.835 3.913 1.00 73.43 H new ATOM 1150 N ASN A 71 11.972 13.990 1.320 1.00 62.25 N ATOM 1151 CA ASN A 71 11.829 13.737 -0.122 1.00 43.33 C ATOM 1152 C ASN A 71 11.784 12.228 -0.429 1.00 43.15 C ATOM 1153 O ASN A 71 12.221 11.780 -1.492 1.00 34.31 O ATOM 1154 CB ASN A 71 12.949 14.433 -0.913 1.00 54.41 C ATOM 1155 CG ASN A 71 12.880 15.945 -0.786 1.00 41.30 C ATOM 1156 OD1 ASN A 71 11.808 16.519 -0.614 1.00 72.31 O ATOM 1157 ND2 ASN A 71 14.014 16.603 -0.873 1.00 72.02 N ATOM 0 H ASN A 71 11.148 14.416 1.745 1.00 62.25 H new ATOM 0 HA ASN A 71 10.877 14.161 -0.441 1.00 43.33 H new ATOM 0 HB2 ASN A 71 13.917 14.083 -0.555 1.00 54.41 H new ATOM 0 HB3 ASN A 71 12.878 14.154 -1.964 1.00 54.41 H new ATOM 0 HD21 ASN A 71 14.021 17.620 -0.797 1.00 72.02 H new ATOM 0 HD22 ASN A 71 14.888 16.097 -1.016 1.00 72.02 H new ATOM 1164 N MET A 72 11.232 11.453 0.511 1.00 24.51 N ATOM 1165 CA MET A 72 11.019 10.012 0.319 1.00 73.01 C ATOM 1166 C MET A 72 9.634 9.578 0.841 1.00 14.43 C ATOM 1167 O MET A 72 9.156 10.076 1.862 1.00 2.04 O ATOM 1168 CB MET A 72 12.112 9.201 1.040 1.00 60.14 C ATOM 1169 CG MET A 72 13.520 9.437 0.502 1.00 51.21 C ATOM 1170 SD MET A 72 14.764 8.421 1.328 1.00 42.25 S ATOM 1171 CE MET A 72 16.239 8.898 0.423 1.00 21.32 C ATOM 0 H MET A 72 10.923 11.801 1.418 1.00 24.51 H new ATOM 0 HA MET A 72 11.068 9.815 -0.752 1.00 73.01 H new ATOM 0 HB2 MET A 72 12.094 9.450 2.101 1.00 60.14 H new ATOM 0 HB3 MET A 72 11.876 8.140 0.957 1.00 60.14 H new ATOM 0 HG2 MET A 72 13.536 9.225 -0.567 1.00 51.21 H new ATOM 0 HG3 MET A 72 13.778 10.489 0.622 1.00 51.21 H new ATOM 0 HE1 MET A 72 17.098 8.355 0.816 1.00 21.32 H new ATOM 0 HE2 MET A 72 16.111 8.660 -0.633 1.00 21.32 H new ATOM 0 HE3 MET A 72 16.405 9.969 0.536 1.00 21.32 H new ATOM 1181 N TYR A 73 8.997 8.649 0.129 1.00 41.41 N ATOM 1182 CA TYR A 73 7.717 8.065 0.554 1.00 24.34 C ATOM 1183 C TYR A 73 7.949 6.925 1.559 1.00 5.20 C ATOM 1184 O TYR A 73 8.783 6.049 1.322 1.00 64.34 O ATOM 1185 CB TYR A 73 6.953 7.513 -0.656 1.00 65.14 C ATOM 1186 CG TYR A 73 6.571 8.556 -1.693 1.00 44.31 C ATOM 1187 CD1 TYR A 73 5.458 9.374 -1.508 1.00 31.45 C ATOM 1188 CD2 TYR A 73 7.309 8.710 -2.864 1.00 12.21 C ATOM 1189 CE1 TYR A 73 5.097 10.313 -2.455 1.00 73.34 C ATOM 1190 CE2 TYR A 73 6.948 9.643 -3.817 1.00 65.53 C ATOM 1191 CZ TYR A 73 5.842 10.441 -3.609 1.00 3.22 C ATOM 1192 OH TYR A 73 5.477 11.366 -4.561 1.00 24.35 O ATOM 0 H TYR A 73 9.348 8.279 -0.754 1.00 41.41 H new ATOM 0 HA TYR A 73 7.131 8.852 1.029 1.00 24.34 H new ATOM 0 HB2 TYR A 73 7.564 6.749 -1.137 1.00 65.14 H new ATOM 0 HB3 TYR A 73 6.046 7.022 -0.303 1.00 65.14 H new ATOM 0 HD1 TYR A 73 4.868 9.272 -0.609 1.00 31.45 H new ATOM 0 HD2 TYR A 73 8.178 8.090 -3.030 1.00 12.21 H new ATOM 0 HE1 TYR A 73 4.236 10.944 -2.293 1.00 73.34 H new ATOM 0 HE2 TYR A 73 7.529 9.747 -4.721 1.00 65.53 H new ATOM 0 HH TYR A 73 6.107 11.329 -5.311 1.00 24.35 H new ATOM 1202 N ARG A 74 7.206 6.922 2.665 1.00 2.02 N ATOM 1203 CA ARG A 74 7.437 5.939 3.730 1.00 74.21 C ATOM 1204 C ARG A 74 6.152 5.539 4.472 1.00 52.02 C ATOM 1205 O ARG A 74 5.178 6.290 4.518 1.00 45.12 O ATOM 1206 CB ARG A 74 8.444 6.511 4.736 1.00 31.00 C ATOM 1207 CG ARG A 74 7.956 7.775 5.439 1.00 72.52 C ATOM 1208 CD ARG A 74 9.045 8.398 6.303 1.00 32.20 C ATOM 1209 NE ARG A 74 10.201 8.818 5.509 1.00 42.31 N ATOM 1210 CZ ARG A 74 11.142 9.610 5.947 1.00 14.12 C ATOM 1211 NH1 ARG A 74 11.096 10.090 7.147 1.00 40.32 N ATOM 1212 NH2 ARG A 74 12.126 9.936 5.178 1.00 55.33 N ATOM 0 H ARG A 74 6.448 7.579 2.849 1.00 2.02 H new ATOM 0 HA ARG A 74 7.825 5.038 3.255 1.00 74.21 H new ATOM 0 HB2 ARG A 74 8.667 5.752 5.486 1.00 31.00 H new ATOM 0 HB3 ARG A 74 9.377 6.731 4.218 1.00 31.00 H new ATOM 0 HG2 ARG A 74 7.623 8.499 4.695 1.00 72.52 H new ATOM 0 HG3 ARG A 74 7.092 7.536 6.059 1.00 72.52 H new ATOM 0 HD2 ARG A 74 8.638 9.258 6.835 1.00 32.20 H new ATOM 0 HD3 ARG A 74 9.365 7.679 7.057 1.00 32.20 H new ATOM 0 HE ARG A 74 10.276 8.470 4.553 1.00 42.31 H new ATOM 0 HH11 ARG A 74 10.319 9.851 7.763 1.00 40.32 H new ATOM 0 HH12 ARG A 74 11.837 10.708 7.478 1.00 40.32 H new ATOM 0 HH21 ARG A 74 12.170 9.575 4.225 1.00 55.33 H new ATOM 0 HH22 ARG A 74 12.860 10.555 5.523 1.00 55.33 H new ATOM 1226 N PHE A 75 6.172 4.335 5.050 1.00 15.04 N ATOM 1227 CA PHE A 75 5.110 3.870 5.954 1.00 11.32 C ATOM 1228 C PHE A 75 5.610 3.883 7.408 1.00 21.33 C ATOM 1229 O PHE A 75 4.987 4.471 8.296 1.00 4.01 O ATOM 1230 CB PHE A 75 4.672 2.439 5.597 1.00 62.21 C ATOM 1231 CG PHE A 75 4.002 2.299 4.253 1.00 62.05 C ATOM 1232 CD1 PHE A 75 2.658 2.612 4.098 1.00 0.14 C ATOM 1233 CD2 PHE A 75 4.709 1.836 3.151 1.00 63.44 C ATOM 1234 CE1 PHE A 75 2.036 2.467 2.874 1.00 64.00 C ATOM 1235 CE2 PHE A 75 4.089 1.692 1.924 1.00 64.24 C ATOM 1236 CZ PHE A 75 2.753 2.007 1.786 1.00 41.22 C ATOM 0 H PHE A 75 6.920 3.656 4.907 1.00 15.04 H new ATOM 0 HA PHE A 75 4.261 4.544 5.844 1.00 11.32 H new ATOM 0 HB2 PHE A 75 5.547 1.790 5.620 1.00 62.21 H new ATOM 0 HB3 PHE A 75 3.989 2.081 6.367 1.00 62.21 H new ATOM 0 HD1 PHE A 75 2.093 2.973 4.945 1.00 0.14 H new ATOM 0 HD2 PHE A 75 5.755 1.586 3.254 1.00 63.44 H new ATOM 0 HE1 PHE A 75 0.990 2.713 2.767 1.00 64.00 H new ATOM 0 HE2 PHE A 75 4.650 1.333 1.074 1.00 64.24 H new ATOM 0 HZ PHE A 75 2.268 1.894 0.828 1.00 41.22 H new ATOM 1246 N GLU A 76 6.743 3.215 7.630 1.00 3.53 N ATOM 1247 CA GLU A 76 7.360 3.114 8.957 1.00 74.11 C ATOM 1248 C GLU A 76 8.840 3.539 8.906 1.00 1.01 C ATOM 1249 O GLU A 76 9.739 2.702 8.771 1.00 40.15 O ATOM 1250 CB GLU A 76 7.248 1.671 9.484 1.00 54.04 C ATOM 1251 CG GLU A 76 7.671 1.490 10.944 1.00 23.42 C ATOM 1252 CD GLU A 76 6.559 1.802 11.939 1.00 40.13 C ATOM 1253 OE1 GLU A 76 6.107 2.963 11.997 1.00 53.02 O ATOM 1254 OE2 GLU A 76 6.143 0.880 12.679 1.00 42.01 O ATOM 0 H GLU A 76 7.260 2.729 6.897 1.00 3.53 H new ATOM 0 HA GLU A 76 6.830 3.786 9.632 1.00 74.11 H new ATOM 0 HB2 GLU A 76 6.216 1.338 9.375 1.00 54.04 H new ATOM 0 HB3 GLU A 76 7.861 1.021 8.859 1.00 54.04 H new ATOM 0 HG2 GLU A 76 8.005 0.463 11.093 1.00 23.42 H new ATOM 0 HG3 GLU A 76 8.525 2.136 11.150 1.00 23.42 H new ATOM 1261 N GLY A 77 9.083 4.846 8.981 1.00 62.10 N ATOM 1262 CA GLY A 77 10.449 5.370 8.985 1.00 11.03 C ATOM 1263 C GLY A 77 11.169 5.256 7.641 1.00 70.21 C ATOM 1264 O GLY A 77 11.237 6.221 6.878 1.00 30.01 O ATOM 0 H GLY A 77 8.356 5.559 9.040 1.00 62.10 H new ATOM 0 HA2 GLY A 77 10.423 6.418 9.283 1.00 11.03 H new ATOM 0 HA3 GLY A 77 11.028 4.839 9.740 1.00 11.03 H new ATOM 1268 N THR A 78 11.714 4.074 7.354 1.00 13.42 N ATOM 1269 CA THR A 78 12.467 3.835 6.111 1.00 50.11 C ATOM 1270 C THR A 78 11.603 4.092 4.865 1.00 50.22 C ATOM 1271 O THR A 78 10.517 3.526 4.729 1.00 42.02 O ATOM 1272 CB THR A 78 13.010 2.385 6.050 1.00 0.23 C ATOM 1273 OG1 THR A 78 13.775 2.091 7.231 1.00 11.42 O ATOM 1274 CG2 THR A 78 13.881 2.169 4.813 1.00 34.44 C ATOM 0 H THR A 78 11.651 3.260 7.965 1.00 13.42 H new ATOM 0 HA THR A 78 13.302 4.536 6.117 1.00 50.11 H new ATOM 0 HB THR A 78 12.154 1.713 5.991 1.00 0.23 H new ATOM 0 HG1 THR A 78 14.112 1.172 7.182 1.00 11.42 H new ATOM 0 HG21 THR A 78 14.246 1.142 4.800 1.00 34.44 H new ATOM 0 HG22 THR A 78 13.291 2.356 3.916 1.00 34.44 H new ATOM 0 HG23 THR A 78 14.728 2.855 4.840 1.00 34.44 H new ATOM 1282 N GLY A 79 12.086 4.935 3.950 1.00 12.15 N ATOM 1283 CA GLY A 79 11.297 5.287 2.770 1.00 31.22 C ATOM 1284 C GLY A 79 12.076 5.250 1.455 1.00 70.52 C ATOM 1285 O GLY A 79 13.307 5.210 1.446 1.00 13.41 O ATOM 0 H GLY A 79 13.003 5.379 4.001 1.00 12.15 H new ATOM 0 HA2 GLY A 79 10.451 4.603 2.696 1.00 31.22 H new ATOM 0 HA3 GLY A 79 10.887 6.288 2.907 1.00 31.22 H new ATOM 1289 N PHE A 80 11.342 5.261 0.341 1.00 40.32 N ATOM 1290 CA PHE A 80 11.936 5.259 -1.007 1.00 2.04 C ATOM 1291 C PHE A 80 11.530 6.517 -1.791 1.00 14.21 C ATOM 1292 O PHE A 80 10.495 7.118 -1.522 1.00 43.00 O ATOM 1293 CB PHE A 80 11.500 4.005 -1.785 1.00 25.32 C ATOM 1294 CG PHE A 80 12.112 2.718 -1.280 1.00 12.43 C ATOM 1295 CD1 PHE A 80 11.783 2.213 -0.031 1.00 4.50 C ATOM 1296 CD2 PHE A 80 13.013 2.009 -2.065 1.00 64.23 C ATOM 1297 CE1 PHE A 80 12.336 1.033 0.427 1.00 32.01 C ATOM 1298 CE2 PHE A 80 13.567 0.830 -1.611 1.00 74.35 C ATOM 1299 CZ PHE A 80 13.231 0.341 -0.364 1.00 23.13 C ATOM 0 H PHE A 80 10.322 5.272 0.342 1.00 40.32 H new ATOM 0 HA PHE A 80 13.020 5.253 -0.892 1.00 2.04 H new ATOM 0 HB2 PHE A 80 10.414 3.921 -1.737 1.00 25.32 H new ATOM 0 HB3 PHE A 80 11.764 4.132 -2.835 1.00 25.32 H new ATOM 0 HD1 PHE A 80 11.084 2.750 0.593 1.00 4.50 H new ATOM 0 HD2 PHE A 80 13.282 2.385 -3.041 1.00 64.23 H new ATOM 0 HE1 PHE A 80 12.069 0.653 1.402 1.00 32.01 H new ATOM 0 HE2 PHE A 80 14.265 0.288 -2.232 1.00 74.35 H new ATOM 0 HZ PHE A 80 13.667 -0.581 -0.008 1.00 23.13 H new ATOM 1309 N SER A 81 12.349 6.898 -2.771 1.00 30.51 N ATOM 1310 CA SER A 81 12.101 8.112 -3.576 1.00 52.41 C ATOM 1311 C SER A 81 10.797 8.023 -4.394 1.00 12.23 C ATOM 1312 O SER A 81 10.137 9.035 -4.638 1.00 34.41 O ATOM 1313 CB SER A 81 13.280 8.370 -4.524 1.00 2.12 C ATOM 1314 OG SER A 81 13.029 9.476 -5.377 1.00 54.44 O ATOM 0 H SER A 81 13.193 6.388 -3.033 1.00 30.51 H new ATOM 0 HA SER A 81 11.996 8.939 -2.874 1.00 52.41 H new ATOM 0 HB2 SER A 81 14.183 8.556 -3.942 1.00 2.12 H new ATOM 0 HB3 SER A 81 13.466 7.480 -5.125 1.00 2.12 H new ATOM 0 HG SER A 81 13.799 9.615 -5.967 1.00 54.44 H new ATOM 1320 N ASN A 82 10.427 6.813 -4.816 1.00 12.11 N ATOM 1321 CA ASN A 82 9.227 6.609 -5.645 1.00 22.10 C ATOM 1322 C ASN A 82 8.290 5.553 -5.035 1.00 13.33 C ATOM 1323 O ASN A 82 8.750 4.524 -4.540 1.00 4.12 O ATOM 1324 CB ASN A 82 9.625 6.178 -7.062 1.00 30.23 C ATOM 1325 CG ASN A 82 10.390 7.256 -7.811 1.00 24.34 C ATOM 1326 OD1 ASN A 82 9.801 8.084 -8.501 1.00 52.43 O ATOM 1327 ND2 ASN A 82 11.702 7.252 -7.689 1.00 34.03 N ATOM 0 H ASN A 82 10.937 5.957 -4.600 1.00 12.11 H new ATOM 0 HA ASN A 82 8.694 7.559 -5.686 1.00 22.10 H new ATOM 0 HB2 ASN A 82 10.237 5.278 -7.005 1.00 30.23 H new ATOM 0 HB3 ASN A 82 8.728 5.919 -7.624 1.00 30.23 H new ATOM 0 HD21 ASN A 82 12.262 7.952 -8.176 1.00 34.03 H new ATOM 0 HD22 ASN A 82 12.158 6.549 -7.107 1.00 34.03 H new ATOM 1334 N ILE A 83 6.982 5.802 -5.103 1.00 31.12 N ATOM 1335 CA ILE A 83 5.975 4.856 -4.592 1.00 41.10 C ATOM 1336 C ILE A 83 6.021 3.497 -5.330 1.00 41.22 C ATOM 1337 O ILE A 83 6.039 2.450 -4.680 1.00 32.24 O ATOM 1338 CB ILE A 83 4.537 5.440 -4.677 1.00 31.33 C ATOM 1339 CG1 ILE A 83 4.442 6.736 -3.858 1.00 41.12 C ATOM 1340 CG2 ILE A 83 3.502 4.416 -4.197 1.00 14.55 C ATOM 1341 CD1 ILE A 83 3.072 7.381 -3.883 1.00 3.55 C ATOM 0 H ILE A 83 6.589 6.652 -5.507 1.00 31.12 H new ATOM 0 HA ILE A 83 6.227 4.690 -3.545 1.00 41.10 H new ATOM 0 HB ILE A 83 4.319 5.671 -5.720 1.00 31.33 H new ATOM 0 HG12 ILE A 83 4.712 6.521 -2.824 1.00 41.12 H new ATOM 0 HG13 ILE A 83 5.175 7.448 -4.238 1.00 41.12 H new ATOM 0 HG21 ILE A 83 2.504 4.848 -4.266 1.00 14.55 H new ATOM 0 HG22 ILE A 83 3.555 3.524 -4.822 1.00 14.55 H new ATOM 0 HG23 ILE A 83 3.710 4.146 -3.162 1.00 14.55 H new ATOM 0 HD11 ILE A 83 3.087 8.290 -3.282 1.00 3.55 H new ATOM 0 HD12 ILE A 83 2.806 7.630 -4.910 1.00 3.55 H new ATOM 0 HD13 ILE A 83 2.336 6.688 -3.475 1.00 3.55 H new ATOM 1353 N PRO A 84 6.044 3.473 -6.691 1.00 13.44 N ATOM 1354 CA PRO A 84 6.137 2.211 -7.446 1.00 33.24 C ATOM 1355 C PRO A 84 7.362 1.380 -7.033 1.00 62.24 C ATOM 1356 O PRO A 84 7.294 0.158 -6.945 1.00 23.35 O ATOM 1357 CB PRO A 84 6.242 2.660 -8.918 1.00 50.21 C ATOM 1358 CG PRO A 84 6.582 4.114 -8.864 1.00 40.51 C ATOM 1359 CD PRO A 84 5.966 4.636 -7.596 1.00 54.23 C ATOM 0 HA PRO A 84 5.280 1.563 -7.261 1.00 33.24 H new ATOM 0 HB2 PRO A 84 7.010 2.096 -9.447 1.00 50.21 H new ATOM 0 HB3 PRO A 84 5.304 2.495 -9.447 1.00 50.21 H new ATOM 0 HG2 PRO A 84 7.662 4.263 -8.863 1.00 40.51 H new ATOM 0 HG3 PRO A 84 6.189 4.639 -9.734 1.00 40.51 H new ATOM 0 HD2 PRO A 84 6.514 5.492 -7.203 1.00 54.23 H new ATOM 0 HD3 PRO A 84 4.937 4.960 -7.750 1.00 54.23 H new ATOM 1367 N GLN A 85 8.480 2.060 -6.775 1.00 1.33 N ATOM 1368 CA GLN A 85 9.701 1.399 -6.296 1.00 44.12 C ATOM 1369 C GLN A 85 9.573 0.992 -4.817 1.00 54.52 C ATOM 1370 O GLN A 85 10.073 -0.055 -4.404 1.00 21.23 O ATOM 1371 CB GLN A 85 10.913 2.320 -6.500 1.00 51.45 C ATOM 1372 CG GLN A 85 11.224 2.595 -7.970 1.00 72.24 C ATOM 1373 CD GLN A 85 11.665 1.344 -8.720 1.00 41.30 C ATOM 1374 OE1 GLN A 85 12.851 1.040 -8.800 1.00 52.23 O ATOM 1375 NE2 GLN A 85 10.718 0.601 -9.261 1.00 42.32 N ATOM 0 H GLN A 85 8.568 3.070 -6.889 1.00 1.33 H new ATOM 0 HA GLN A 85 9.846 0.489 -6.878 1.00 44.12 H new ATOM 0 HB2 GLN A 85 10.731 3.267 -5.991 1.00 51.45 H new ATOM 0 HB3 GLN A 85 11.787 1.869 -6.030 1.00 51.45 H new ATOM 0 HG2 GLN A 85 10.340 3.011 -8.453 1.00 72.24 H new ATOM 0 HG3 GLN A 85 12.008 3.349 -8.037 1.00 72.24 H new ATOM 0 HE21 GLN A 85 9.741 0.880 -9.177 1.00 42.32 H new ATOM 0 HE22 GLN A 85 10.964 -0.253 -9.763 1.00 42.32 H new ATOM 1384 N LEU A 86 8.898 1.831 -4.031 1.00 34.45 N ATOM 1385 CA LEU A 86 8.630 1.542 -2.615 1.00 43.14 C ATOM 1386 C LEU A 86 7.881 0.211 -2.454 1.00 64.14 C ATOM 1387 O LEU A 86 8.357 -0.705 -1.787 1.00 1.34 O ATOM 1388 CB LEU A 86 7.809 2.692 -2.000 1.00 40.01 C ATOM 1389 CG LEU A 86 7.277 2.465 -0.571 1.00 13.10 C ATOM 1390 CD1 LEU A 86 8.420 2.298 0.425 1.00 44.32 C ATOM 1391 CD2 LEU A 86 6.362 3.615 -0.157 1.00 61.43 C ATOM 0 H LEU A 86 8.523 2.724 -4.351 1.00 34.45 H new ATOM 0 HA LEU A 86 9.583 1.455 -2.093 1.00 43.14 H new ATOM 0 HB2 LEU A 86 8.428 3.590 -1.996 1.00 40.01 H new ATOM 0 HB3 LEU A 86 6.960 2.893 -2.653 1.00 40.01 H new ATOM 0 HG LEU A 86 6.699 1.541 -0.568 1.00 13.10 H new ATOM 0 HD11 LEU A 86 8.012 2.140 1.423 1.00 44.32 H new ATOM 0 HD12 LEU A 86 9.028 1.439 0.141 1.00 44.32 H new ATOM 0 HD13 LEU A 86 9.038 3.196 0.424 1.00 44.32 H new ATOM 0 HD21 LEU A 86 5.994 3.441 0.854 1.00 61.43 H new ATOM 0 HD22 LEU A 86 6.919 4.551 -0.184 1.00 61.43 H new ATOM 0 HD23 LEU A 86 5.519 3.675 -0.845 1.00 61.43 H new ATOM 1403 N ILE A 87 6.718 0.107 -3.093 1.00 64.44 N ATOM 1404 CA ILE A 87 5.884 -1.096 -3.001 1.00 25.52 C ATOM 1405 C ILE A 87 6.551 -2.311 -3.668 1.00 42.42 C ATOM 1406 O ILE A 87 6.587 -3.393 -3.088 1.00 13.31 O ATOM 1407 CB ILE A 87 4.487 -0.859 -3.630 1.00 1.41 C ATOM 1408 CG1 ILE A 87 3.756 0.283 -2.897 1.00 53.42 C ATOM 1409 CG2 ILE A 87 3.648 -2.140 -3.610 1.00 53.23 C ATOM 1410 CD1 ILE A 87 3.511 0.017 -1.423 1.00 55.14 C ATOM 0 H ILE A 87 6.328 0.842 -3.683 1.00 64.44 H new ATOM 0 HA ILE A 87 5.765 -1.312 -1.939 1.00 25.52 H new ATOM 0 HB ILE A 87 4.628 -0.570 -4.671 1.00 1.41 H new ATOM 0 HG12 ILE A 87 4.340 1.198 -2.998 1.00 53.42 H new ATOM 0 HG13 ILE A 87 2.799 0.461 -3.387 1.00 53.42 H new ATOM 0 HG21 ILE A 87 2.674 -1.944 -4.057 1.00 53.23 H new ATOM 0 HG22 ILE A 87 4.158 -2.918 -4.178 1.00 53.23 H new ATOM 0 HG23 ILE A 87 3.514 -2.471 -2.580 1.00 53.23 H new ATOM 0 HD11 ILE A 87 2.993 0.868 -0.981 1.00 55.14 H new ATOM 0 HD12 ILE A 87 2.899 -0.878 -1.312 1.00 55.14 H new ATOM 0 HD13 ILE A 87 4.465 -0.130 -0.916 1.00 55.14 H new ATOM 1422 N ASP A 88 7.094 -2.120 -4.873 1.00 43.22 N ATOM 1423 CA ASP A 88 7.732 -3.213 -5.628 1.00 70.54 C ATOM 1424 C ASP A 88 8.880 -3.862 -4.827 1.00 11.03 C ATOM 1425 O ASP A 88 8.910 -5.082 -4.628 1.00 64.44 O ATOM 1426 CB ASP A 88 8.254 -2.671 -6.965 1.00 43.11 C ATOM 1427 CG ASP A 88 8.685 -3.768 -7.924 1.00 3.43 C ATOM 1428 OD1 ASP A 88 9.864 -4.179 -7.878 1.00 50.22 O ATOM 1429 OD2 ASP A 88 7.849 -4.209 -8.744 1.00 10.33 O ATOM 0 H ASP A 88 7.107 -1.219 -5.351 1.00 43.22 H new ATOM 0 HA ASP A 88 6.986 -3.986 -5.811 1.00 70.54 H new ATOM 0 HB2 ASP A 88 7.476 -2.070 -7.436 1.00 43.11 H new ATOM 0 HB3 ASP A 88 9.099 -2.008 -6.777 1.00 43.11 H new ATOM 1434 N HIS A 89 9.819 -3.042 -4.357 1.00 32.03 N ATOM 1435 CA HIS A 89 10.960 -3.538 -3.577 1.00 71.22 C ATOM 1436 C HIS A 89 10.504 -4.082 -2.211 1.00 62.30 C ATOM 1437 O HIS A 89 11.030 -5.081 -1.721 1.00 54.23 O ATOM 1438 CB HIS A 89 11.998 -2.424 -3.384 1.00 43.34 C ATOM 1439 CG HIS A 89 13.264 -2.879 -2.715 1.00 55.22 C ATOM 1440 ND1 HIS A 89 14.353 -3.364 -3.406 1.00 11.00 N ATOM 1441 CD2 HIS A 89 13.618 -2.903 -1.407 1.00 2.42 C ATOM 1442 CE1 HIS A 89 15.315 -3.669 -2.560 1.00 53.32 C ATOM 1443 NE2 HIS A 89 14.899 -3.397 -1.340 1.00 44.24 N ATOM 0 H HIS A 89 9.815 -2.032 -4.501 1.00 32.03 H new ATOM 0 HA HIS A 89 11.418 -4.357 -4.132 1.00 71.22 H new ATOM 0 HB2 HIS A 89 12.245 -1.999 -4.357 1.00 43.34 H new ATOM 0 HB3 HIS A 89 11.553 -1.625 -2.791 1.00 43.34 H new ATOM 0 HD2 HIS A 89 13.007 -2.592 -0.572 1.00 2.42 H new ATOM 0 HE1 HIS A 89 16.281 -4.074 -2.822 1.00 53.32 H new ATOM 0 HE2 HIS A 89 15.439 -3.531 -0.485 1.00 44.24 H new ATOM 1452 N HIS A 90 9.526 -3.416 -1.600 1.00 30.43 N ATOM 1453 CA HIS A 90 8.989 -3.837 -0.299 1.00 14.23 C ATOM 1454 C HIS A 90 8.265 -5.192 -0.417 1.00 51.12 C ATOM 1455 O HIS A 90 8.294 -6.015 0.503 1.00 2.13 O ATOM 1456 CB HIS A 90 8.033 -2.758 0.226 1.00 1.32 C ATOM 1457 CG HIS A 90 7.634 -2.921 1.657 1.00 14.55 C ATOM 1458 ND1 HIS A 90 8.256 -2.259 2.692 1.00 14.55 N ATOM 1459 CD2 HIS A 90 6.653 -3.655 2.223 1.00 51.10 C ATOM 1460 CE1 HIS A 90 7.674 -2.576 3.827 1.00 63.24 C ATOM 1461 NE2 HIS A 90 6.698 -3.424 3.574 1.00 70.12 N ATOM 0 H HIS A 90 9.085 -2.580 -1.983 1.00 30.43 H new ATOM 0 HA HIS A 90 9.813 -3.962 0.403 1.00 14.23 H new ATOM 0 HB2 HIS A 90 8.504 -1.783 0.103 1.00 1.32 H new ATOM 0 HB3 HIS A 90 7.134 -2.757 -0.390 1.00 1.32 H new ATOM 0 HD1 HIS A 90 9.046 -1.621 2.593 1.00 14.55 H new ATOM 0 HD2 HIS A 90 5.961 -4.304 1.707 1.00 51.10 H new ATOM 0 HE1 HIS A 90 7.949 -2.204 4.803 1.00 63.24 H new ATOM 1470 N TYR A 91 7.623 -5.404 -1.563 1.00 43.55 N ATOM 1471 CA TYR A 91 6.924 -6.655 -1.870 1.00 71.34 C ATOM 1472 C TYR A 91 7.914 -7.810 -2.089 1.00 43.34 C ATOM 1473 O TYR A 91 7.804 -8.864 -1.463 1.00 21.45 O ATOM 1474 CB TYR A 91 6.051 -6.452 -3.124 1.00 64.02 C ATOM 1475 CG TYR A 91 5.454 -7.727 -3.693 1.00 74.40 C ATOM 1476 CD1 TYR A 91 4.313 -8.297 -3.139 1.00 61.10 C ATOM 1477 CD2 TYR A 91 6.031 -8.359 -4.793 1.00 25.33 C ATOM 1478 CE1 TYR A 91 3.771 -9.457 -3.659 1.00 53.43 C ATOM 1479 CE2 TYR A 91 5.493 -9.516 -5.316 1.00 44.23 C ATOM 1480 CZ TYR A 91 4.366 -10.064 -4.746 1.00 12.13 C ATOM 1481 OH TYR A 91 3.832 -11.223 -5.267 1.00 33.22 O ATOM 0 H TYR A 91 7.571 -4.711 -2.310 1.00 43.55 H new ATOM 0 HA TYR A 91 6.294 -6.921 -1.021 1.00 71.34 H new ATOM 0 HB2 TYR A 91 5.241 -5.765 -2.879 1.00 64.02 H new ATOM 0 HB3 TYR A 91 6.653 -5.973 -3.896 1.00 64.02 H new ATOM 0 HD1 TYR A 91 3.843 -7.826 -2.289 1.00 61.10 H new ATOM 0 HD2 TYR A 91 6.916 -7.935 -5.244 1.00 25.33 H new ATOM 0 HE1 TYR A 91 2.885 -9.887 -3.216 1.00 53.43 H new ATOM 0 HE2 TYR A 91 5.954 -9.991 -6.170 1.00 44.23 H new ATOM 0 HH TYR A 91 4.372 -11.518 -6.030 1.00 33.22 H new ATOM 1491 N THR A 92 8.885 -7.595 -2.974 1.00 1.12 N ATOM 1492 CA THR A 92 9.870 -8.629 -3.323 1.00 51.14 C ATOM 1493 C THR A 92 10.785 -8.994 -2.141 1.00 15.43 C ATOM 1494 O THR A 92 11.329 -10.098 -2.087 1.00 44.33 O ATOM 1495 CB THR A 92 10.741 -8.191 -4.525 1.00 60.53 C ATOM 1496 OG1 THR A 92 11.334 -6.909 -4.265 1.00 42.31 O ATOM 1497 CG2 THR A 92 9.909 -8.121 -5.804 1.00 73.31 C ATOM 0 H THR A 92 9.015 -6.712 -3.467 1.00 1.12 H new ATOM 0 HA THR A 92 9.294 -9.514 -3.593 1.00 51.14 H new ATOM 0 HB THR A 92 11.528 -8.933 -4.661 1.00 60.53 H new ATOM 0 HG1 THR A 92 10.673 -6.204 -4.428 1.00 42.31 H new ATOM 0 HG21 THR A 92 10.544 -7.811 -6.634 1.00 73.31 H new ATOM 0 HG22 THR A 92 9.486 -9.103 -6.017 1.00 73.31 H new ATOM 0 HG23 THR A 92 9.103 -7.399 -5.674 1.00 73.31 H new ATOM 1505 N THR A 93 10.960 -8.067 -1.199 1.00 33.41 N ATOM 1506 CA THR A 93 11.746 -8.345 0.019 1.00 74.54 C ATOM 1507 C THR A 93 10.873 -8.917 1.145 1.00 72.13 C ATOM 1508 O THR A 93 11.389 -9.356 2.175 1.00 42.04 O ATOM 1509 CB THR A 93 12.472 -7.081 0.546 1.00 50.01 C ATOM 1510 OG1 THR A 93 11.523 -6.046 0.853 1.00 51.33 O ATOM 1511 CG2 THR A 93 13.489 -6.566 -0.471 1.00 11.53 C ATOM 0 H THR A 93 10.575 -7.124 -1.248 1.00 33.41 H new ATOM 0 HA THR A 93 12.490 -9.087 -0.273 1.00 74.54 H new ATOM 0 HB THR A 93 13.004 -7.359 1.456 1.00 50.01 H new ATOM 0 HG1 THR A 93 11.247 -5.599 0.026 1.00 51.33 H new ATOM 0 HG21 THR A 93 13.983 -5.679 -0.074 1.00 11.53 H new ATOM 0 HG22 THR A 93 14.233 -7.339 -0.665 1.00 11.53 H new ATOM 0 HG23 THR A 93 12.978 -6.312 -1.400 1.00 11.53 H new ATOM 1519 N LYS A 94 9.552 -8.909 0.940 1.00 51.13 N ATOM 1520 CA LYS A 94 8.590 -9.452 1.916 1.00 55.32 C ATOM 1521 C LYS A 94 8.695 -8.736 3.281 1.00 53.34 C ATOM 1522 O LYS A 94 8.421 -9.318 4.334 1.00 41.34 O ATOM 1523 CB LYS A 94 8.798 -10.974 2.074 1.00 51.22 C ATOM 1524 CG LYS A 94 7.501 -11.781 2.033 1.00 25.43 C ATOM 1525 CD LYS A 94 6.745 -11.551 0.724 1.00 12.12 C ATOM 1526 CE LYS A 94 5.484 -12.399 0.628 1.00 31.14 C ATOM 1527 NZ LYS A 94 4.756 -12.163 -0.649 1.00 34.35 N ATOM 0 H LYS A 94 9.117 -8.529 0.099 1.00 51.13 H new ATOM 0 HA LYS A 94 7.585 -9.271 1.535 1.00 55.32 H new ATOM 0 HB2 LYS A 94 9.459 -11.325 1.281 1.00 51.22 H new ATOM 0 HB3 LYS A 94 9.305 -11.166 3.020 1.00 51.22 H new ATOM 0 HG2 LYS A 94 7.726 -12.842 2.144 1.00 25.43 H new ATOM 0 HG3 LYS A 94 6.868 -11.500 2.875 1.00 25.43 H new ATOM 0 HD2 LYS A 94 6.479 -10.497 0.641 1.00 12.12 H new ATOM 0 HD3 LYS A 94 7.400 -11.781 -0.116 1.00 12.12 H new ATOM 0 HE2 LYS A 94 5.748 -13.454 0.706 1.00 31.14 H new ATOM 0 HE3 LYS A 94 4.828 -12.171 1.468 1.00 31.14 H new ATOM 0 HZ1 LYS A 94 4.133 -12.972 -0.848 1.00 34.35 H new ATOM 0 HZ2 LYS A 94 4.185 -11.298 -0.568 1.00 34.35 H new ATOM 0 HZ3 LYS A 94 5.441 -12.054 -1.424 1.00 34.35 H new ATOM 1541 N GLN A 95 9.056 -7.458 3.240 1.00 51.52 N ATOM 1542 CA GLN A 95 9.220 -6.646 4.453 1.00 34.40 C ATOM 1543 C GLN A 95 7.841 -6.179 4.969 1.00 41.35 C ATOM 1544 O GLN A 95 6.933 -5.920 4.178 1.00 11.31 O ATOM 1545 CB GLN A 95 10.128 -5.439 4.124 1.00 12.43 C ATOM 1546 CG GLN A 95 10.989 -4.925 5.282 1.00 42.52 C ATOM 1547 CD GLN A 95 10.186 -4.360 6.440 1.00 15.51 C ATOM 1548 OE1 GLN A 95 9.877 -5.060 7.397 1.00 14.33 O ATOM 1549 NE2 GLN A 95 9.829 -3.097 6.354 1.00 74.43 N ATOM 0 H GLN A 95 9.243 -6.953 2.374 1.00 51.52 H new ATOM 0 HA GLN A 95 9.686 -7.239 5.240 1.00 34.40 H new ATOM 0 HB2 GLN A 95 10.786 -5.716 3.300 1.00 12.43 H new ATOM 0 HB3 GLN A 95 9.501 -4.621 3.770 1.00 12.43 H new ATOM 0 HG2 GLN A 95 11.613 -5.740 5.648 1.00 42.52 H new ATOM 0 HG3 GLN A 95 11.661 -4.153 4.908 1.00 42.52 H new ATOM 0 HE21 GLN A 95 10.104 -2.543 5.543 1.00 74.43 H new ATOM 0 HE22 GLN A 95 9.277 -2.671 7.099 1.00 74.43 H new ATOM 1558 N VAL A 96 7.676 -6.069 6.287 1.00 33.52 N ATOM 1559 CA VAL A 96 6.395 -5.631 6.865 1.00 32.54 C ATOM 1560 C VAL A 96 6.167 -4.119 6.658 1.00 31.20 C ATOM 1561 O VAL A 96 7.106 -3.326 6.689 1.00 55.42 O ATOM 1562 CB VAL A 96 6.297 -5.966 8.378 1.00 2.20 C ATOM 1563 CG1 VAL A 96 6.533 -7.454 8.613 1.00 42.35 C ATOM 1564 CG2 VAL A 96 7.274 -5.123 9.198 1.00 54.55 C ATOM 0 H VAL A 96 8.402 -6.274 6.973 1.00 33.52 H new ATOM 0 HA VAL A 96 5.617 -6.182 6.337 1.00 32.54 H new ATOM 0 HB VAL A 96 5.289 -5.720 8.712 1.00 2.20 H new ATOM 0 HG11 VAL A 96 6.460 -7.670 9.679 1.00 42.35 H new ATOM 0 HG12 VAL A 96 5.782 -8.031 8.074 1.00 42.35 H new ATOM 0 HG13 VAL A 96 7.526 -7.726 8.254 1.00 42.35 H new ATOM 0 HG21 VAL A 96 7.181 -5.381 10.253 1.00 54.55 H new ATOM 0 HG22 VAL A 96 8.293 -5.320 8.865 1.00 54.55 H new ATOM 0 HG23 VAL A 96 7.046 -4.066 9.062 1.00 54.55 H new ATOM 1574 N ILE A 97 4.913 -3.735 6.411 1.00 54.42 N ATOM 1575 CA ILE A 97 4.553 -2.321 6.205 1.00 71.25 C ATOM 1576 C ILE A 97 4.966 -1.456 7.408 1.00 30.31 C ATOM 1577 O ILE A 97 5.882 -0.638 7.317 1.00 44.21 O ATOM 1578 CB ILE A 97 3.030 -2.167 5.952 1.00 11.03 C ATOM 1579 CG1 ILE A 97 2.618 -2.938 4.687 1.00 11.55 C ATOM 1580 CG2 ILE A 97 2.640 -0.692 5.833 1.00 11.22 C ATOM 1581 CD1 ILE A 97 3.307 -2.458 3.425 1.00 1.32 C ATOM 0 H ILE A 97 4.126 -4.380 6.348 1.00 54.42 H new ATOM 0 HA ILE A 97 5.096 -1.976 5.325 1.00 71.25 H new ATOM 0 HB ILE A 97 2.499 -2.588 6.806 1.00 11.03 H new ATOM 0 HG12 ILE A 97 2.838 -3.996 4.830 1.00 11.55 H new ATOM 0 HG13 ILE A 97 1.539 -2.852 4.556 1.00 11.55 H new ATOM 0 HG21 ILE A 97 1.567 -0.612 5.656 1.00 11.22 H new ATOM 0 HG22 ILE A 97 2.895 -0.173 6.757 1.00 11.22 H new ATOM 0 HG23 ILE A 97 3.180 -0.239 5.001 1.00 11.22 H new ATOM 0 HD11 ILE A 97 2.965 -3.050 2.576 1.00 1.32 H new ATOM 0 HD12 ILE A 97 3.067 -1.408 3.256 1.00 1.32 H new ATOM 0 HD13 ILE A 97 4.386 -2.570 3.534 1.00 1.32 H new ATOM 1593 N THR A 98 4.273 -1.637 8.526 1.00 63.54 N ATOM 1594 CA THR A 98 4.641 -0.996 9.792 1.00 73.02 C ATOM 1595 C THR A 98 4.853 -2.057 10.870 1.00 45.14 C ATOM 1596 O THR A 98 4.047 -2.980 11.006 1.00 62.34 O ATOM 1597 CB THR A 98 3.557 -0.001 10.281 1.00 21.34 C ATOM 1598 OG1 THR A 98 2.319 -0.694 10.515 1.00 24.33 O ATOM 1599 CG2 THR A 98 3.333 1.120 9.268 1.00 10.34 C ATOM 0 H THR A 98 3.444 -2.228 8.585 1.00 63.54 H new ATOM 0 HA THR A 98 5.561 -0.440 9.613 1.00 73.02 H new ATOM 0 HB THR A 98 3.909 0.444 11.212 1.00 21.34 H new ATOM 0 HG1 THR A 98 1.655 -0.410 9.853 1.00 24.33 H new ATOM 0 HG21 THR A 98 2.567 1.800 9.641 1.00 10.34 H new ATOM 0 HG22 THR A 98 4.264 1.668 9.120 1.00 10.34 H new ATOM 0 HG23 THR A 98 3.008 0.693 8.319 1.00 10.34 H new ATOM 1607 N LYS A 99 5.929 -1.933 11.641 1.00 12.02 N ATOM 1608 CA LYS A 99 6.235 -2.912 12.692 1.00 71.43 C ATOM 1609 C LYS A 99 5.195 -2.848 13.819 1.00 22.53 C ATOM 1610 O LYS A 99 5.070 -3.770 14.622 1.00 13.40 O ATOM 1611 CB LYS A 99 7.649 -2.687 13.256 1.00 22.55 C ATOM 1612 CG LYS A 99 8.778 -3.101 12.310 1.00 21.41 C ATOM 1613 CD LYS A 99 8.845 -2.239 11.051 1.00 2.23 C ATOM 1614 CE LYS A 99 9.973 -2.683 10.125 1.00 12.15 C ATOM 1615 NZ LYS A 99 11.312 -2.535 10.765 1.00 71.35 N ATOM 0 H LYS A 99 6.603 -1.171 11.563 1.00 12.02 H new ATOM 0 HA LYS A 99 6.197 -3.905 12.244 1.00 71.43 H new ATOM 0 HB2 LYS A 99 7.766 -1.632 13.502 1.00 22.55 H new ATOM 0 HB3 LYS A 99 7.749 -3.244 14.188 1.00 22.55 H new ATOM 0 HG2 LYS A 99 9.729 -3.038 12.838 1.00 21.41 H new ATOM 0 HG3 LYS A 99 8.641 -4.144 12.023 1.00 21.41 H new ATOM 0 HD2 LYS A 99 7.895 -2.295 10.520 1.00 2.23 H new ATOM 0 HD3 LYS A 99 8.993 -1.196 11.331 1.00 2.23 H new ATOM 0 HE2 LYS A 99 9.820 -3.724 9.841 1.00 12.15 H new ATOM 0 HE3 LYS A 99 9.942 -2.094 9.208 1.00 12.15 H new ATOM 0 HZ1 LYS A 99 12.055 -2.667 10.050 1.00 71.35 H new ATOM 0 HZ2 LYS A 99 11.396 -1.585 11.180 1.00 71.35 H new ATOM 0 HZ3 LYS A 99 11.420 -3.250 11.513 1.00 71.35 H new ATOM 1629 N LYS A 100 4.459 -1.742 13.872 1.00 54.51 N ATOM 1630 CA LYS A 100 3.350 -1.591 14.815 1.00 32.22 C ATOM 1631 C LYS A 100 2.200 -2.567 14.492 1.00 25.02 C ATOM 1632 O LYS A 100 1.550 -3.098 15.394 1.00 31.32 O ATOM 1633 CB LYS A 100 2.838 -0.141 14.786 1.00 5.54 C ATOM 1634 CG LYS A 100 3.890 0.891 15.195 1.00 22.23 C ATOM 1635 CD LYS A 100 3.390 2.323 15.010 1.00 52.44 C ATOM 1636 CE LYS A 100 4.437 3.352 15.433 1.00 71.15 C ATOM 1637 NZ LYS A 100 5.713 3.196 14.683 1.00 4.24 N ATOM 0 H LYS A 100 4.610 -0.932 13.271 1.00 54.51 H new ATOM 0 HA LYS A 100 3.717 -1.828 15.814 1.00 32.22 H new ATOM 0 HB2 LYS A 100 2.486 0.091 13.781 1.00 5.54 H new ATOM 0 HB3 LYS A 100 1.979 -0.055 15.452 1.00 5.54 H new ATOM 0 HG2 LYS A 100 4.164 0.735 16.238 1.00 22.23 H new ATOM 0 HG3 LYS A 100 4.793 0.743 14.602 1.00 22.23 H new ATOM 0 HD2 LYS A 100 3.126 2.483 13.965 1.00 52.44 H new ATOM 0 HD3 LYS A 100 2.481 2.468 15.594 1.00 52.44 H new ATOM 0 HE2 LYS A 100 4.043 4.356 15.272 1.00 71.15 H new ATOM 0 HE3 LYS A 100 4.631 3.253 16.501 1.00 71.15 H new ATOM 0 HZ1 LYS A 100 6.382 3.936 14.978 1.00 4.24 H new ATOM 0 HZ2 LYS A 100 6.121 2.260 14.883 1.00 4.24 H new ATOM 0 HZ3 LYS A 100 5.529 3.283 13.663 1.00 4.24 H new ATOM 1651 N SER A 101 1.962 -2.810 13.200 1.00 24.41 N ATOM 1652 CA SER A 101 0.845 -3.672 12.765 1.00 53.04 C ATOM 1653 C SER A 101 1.314 -5.087 12.383 1.00 30.03 C ATOM 1654 O SER A 101 0.653 -6.073 12.704 1.00 72.22 O ATOM 1655 CB SER A 101 0.115 -3.034 11.575 1.00 62.31 C ATOM 1656 OG SER A 101 -1.068 -3.750 11.230 1.00 12.34 O ATOM 0 H SER A 101 2.520 -2.428 12.437 1.00 24.41 H new ATOM 0 HA SER A 101 0.165 -3.765 13.612 1.00 53.04 H new ATOM 0 HB2 SER A 101 -0.143 -2.003 11.818 1.00 62.31 H new ATOM 0 HB3 SER A 101 0.783 -3.001 10.715 1.00 62.31 H new ATOM 0 HG SER A 101 -1.261 -4.416 11.923 1.00 12.34 H new ATOM 1662 N GLY A 102 2.447 -5.178 11.683 1.00 60.43 N ATOM 1663 CA GLY A 102 2.989 -6.477 11.271 1.00 72.52 C ATOM 1664 C GLY A 102 2.289 -7.088 10.053 1.00 64.04 C ATOM 1665 O GLY A 102 1.978 -8.283 10.041 1.00 14.24 O ATOM 0 H GLY A 102 3.004 -4.375 11.391 1.00 60.43 H new ATOM 0 HA2 GLY A 102 4.050 -6.362 11.047 1.00 72.52 H new ATOM 0 HA3 GLY A 102 2.913 -7.172 12.107 1.00 72.52 H new ATOM 1669 N VAL A 103 2.054 -6.277 9.021 1.00 45.31 N ATOM 1670 CA VAL A 103 1.399 -6.750 7.790 1.00 30.34 C ATOM 1671 C VAL A 103 2.405 -6.878 6.629 1.00 70.12 C ATOM 1672 O VAL A 103 3.221 -5.982 6.407 1.00 70.44 O ATOM 1673 CB VAL A 103 0.253 -5.798 7.363 1.00 65.24 C ATOM 1674 CG1 VAL A 103 -0.456 -6.325 6.117 1.00 70.41 C ATOM 1675 CG2 VAL A 103 -0.739 -5.592 8.509 1.00 24.21 C ATOM 0 H VAL A 103 2.306 -5.289 9.008 1.00 45.31 H new ATOM 0 HA VAL A 103 0.986 -7.734 8.012 1.00 30.34 H new ATOM 0 HB VAL A 103 0.691 -4.830 7.118 1.00 65.24 H new ATOM 0 HG11 VAL A 103 -1.256 -5.640 5.837 1.00 70.41 H new ATOM 0 HG12 VAL A 103 0.258 -6.403 5.298 1.00 70.41 H new ATOM 0 HG13 VAL A 103 -0.877 -7.308 6.326 1.00 70.41 H new ATOM 0 HG21 VAL A 103 -1.534 -4.920 8.186 1.00 24.21 H new ATOM 0 HG22 VAL A 103 -1.169 -6.552 8.795 1.00 24.21 H new ATOM 0 HG23 VAL A 103 -0.222 -5.157 9.364 1.00 24.21 H new ATOM 1685 N VAL A 104 2.336 -7.987 5.892 1.00 22.21 N ATOM 1686 CA VAL A 104 3.250 -8.241 4.764 1.00 45.23 C ATOM 1687 C VAL A 104 2.513 -8.157 3.411 1.00 22.15 C ATOM 1688 O VAL A 104 1.294 -8.320 3.347 1.00 31.43 O ATOM 1689 CB VAL A 104 3.918 -9.635 4.906 1.00 52.21 C ATOM 1690 CG1 VAL A 104 4.966 -9.860 3.817 1.00 13.15 C ATOM 1691 CG2 VAL A 104 4.537 -9.795 6.294 1.00 1.31 C ATOM 0 H VAL A 104 1.656 -8.730 6.052 1.00 22.21 H new ATOM 0 HA VAL A 104 4.018 -7.468 4.787 1.00 45.23 H new ATOM 0 HB VAL A 104 3.144 -10.392 4.784 1.00 52.21 H new ATOM 0 HG11 VAL A 104 5.416 -10.845 3.943 1.00 13.15 H new ATOM 0 HG12 VAL A 104 4.491 -9.801 2.838 1.00 13.15 H new ATOM 0 HG13 VAL A 104 5.739 -9.095 3.892 1.00 13.15 H new ATOM 0 HG21 VAL A 104 5.000 -10.778 6.375 1.00 1.31 H new ATOM 0 HG22 VAL A 104 5.292 -9.024 6.447 1.00 1.31 H new ATOM 0 HG23 VAL A 104 3.760 -9.697 7.052 1.00 1.31 H new ATOM 1701 N LEU A 105 3.260 -7.897 2.333 1.00 64.03 N ATOM 1702 CA LEU A 105 2.670 -7.761 0.991 1.00 55.04 C ATOM 1703 C LEU A 105 2.735 -9.071 0.181 1.00 25.12 C ATOM 1704 O LEU A 105 3.814 -9.606 -0.089 1.00 40.54 O ATOM 1705 CB LEU A 105 3.375 -6.642 0.209 1.00 31.21 C ATOM 1706 CG LEU A 105 3.275 -5.236 0.822 1.00 24.30 C ATOM 1707 CD1 LEU A 105 3.961 -4.208 -0.076 1.00 62.12 C ATOM 1708 CD2 LEU A 105 1.817 -4.851 1.067 1.00 41.43 C ATOM 0 H LEU A 105 4.272 -7.776 2.360 1.00 64.03 H new ATOM 0 HA LEU A 105 1.619 -7.512 1.134 1.00 55.04 H new ATOM 0 HB2 LEU A 105 4.429 -6.901 0.110 1.00 31.21 H new ATOM 0 HB3 LEU A 105 2.959 -6.610 -0.798 1.00 31.21 H new ATOM 0 HG LEU A 105 3.788 -5.248 1.784 1.00 24.30 H new ATOM 0 HD11 LEU A 105 3.879 -3.219 0.375 1.00 62.12 H new ATOM 0 HD12 LEU A 105 5.013 -4.469 -0.190 1.00 62.12 H new ATOM 0 HD13 LEU A 105 3.481 -4.201 -1.054 1.00 62.12 H new ATOM 0 HD21 LEU A 105 1.772 -3.852 1.501 1.00 41.43 H new ATOM 0 HD22 LEU A 105 1.274 -4.860 0.122 1.00 41.43 H new ATOM 0 HD23 LEU A 105 1.362 -5.565 1.753 1.00 41.43 H new ATOM 1720 N LEU A 106 1.565 -9.576 -0.202 1.00 34.31 N ATOM 1721 CA LEU A 106 1.454 -10.745 -1.085 1.00 4.11 C ATOM 1722 C LEU A 106 0.280 -10.576 -2.063 1.00 64.22 C ATOM 1723 O LEU A 106 -0.641 -9.811 -1.794 1.00 54.23 O ATOM 1724 CB LEU A 106 1.306 -12.054 -0.279 1.00 70.41 C ATOM 1725 CG LEU A 106 0.264 -12.042 0.857 1.00 43.12 C ATOM 1726 CD1 LEU A 106 -0.160 -13.464 1.221 1.00 12.53 C ATOM 1727 CD2 LEU A 106 0.814 -11.326 2.091 1.00 24.40 C ATOM 0 H LEU A 106 0.666 -9.191 0.088 1.00 34.31 H new ATOM 0 HA LEU A 106 2.378 -10.813 -1.659 1.00 4.11 H new ATOM 0 HB2 LEU A 106 1.048 -12.855 -0.972 1.00 70.41 H new ATOM 0 HB3 LEU A 106 2.277 -12.304 0.150 1.00 70.41 H new ATOM 0 HG LEU A 106 -0.611 -11.499 0.501 1.00 43.12 H new ATOM 0 HD11 LEU A 106 -0.896 -13.430 2.025 1.00 12.53 H new ATOM 0 HD12 LEU A 106 -0.598 -13.948 0.348 1.00 12.53 H new ATOM 0 HD13 LEU A 106 0.711 -14.030 1.550 1.00 12.53 H new ATOM 0 HD21 LEU A 106 0.061 -11.330 2.880 1.00 24.40 H new ATOM 0 HD22 LEU A 106 1.709 -11.840 2.441 1.00 24.40 H new ATOM 0 HD23 LEU A 106 1.064 -10.297 1.833 1.00 24.40 H new ATOM 1739 N ASN A 107 0.344 -11.287 -3.198 1.00 33.34 N ATOM 1740 CA ASN A 107 -0.679 -11.239 -4.273 1.00 33.13 C ATOM 1741 C ASN A 107 -1.410 -9.880 -4.411 1.00 50.51 C ATOM 1742 O ASN A 107 -2.462 -9.657 -3.816 1.00 52.33 O ATOM 1743 CB ASN A 107 -1.679 -12.412 -4.152 1.00 22.43 C ATOM 1744 CG ASN A 107 -2.245 -12.653 -2.753 1.00 63.24 C ATOM 1745 OD1 ASN A 107 -2.462 -13.795 -2.362 1.00 53.04 O ATOM 1746 ND2 ASN A 107 -2.523 -11.612 -1.997 1.00 30.51 N ATOM 0 H ASN A 107 1.115 -11.922 -3.406 1.00 33.34 H new ATOM 0 HA ASN A 107 -0.120 -11.351 -5.202 1.00 33.13 H new ATOM 0 HB2 ASN A 107 -2.509 -12.230 -4.834 1.00 22.43 H new ATOM 0 HB3 ASN A 107 -1.185 -13.324 -4.487 1.00 22.43 H new ATOM 0 HD21 ASN A 107 -2.926 -11.748 -1.070 1.00 30.51 H new ATOM 0 HD22 ASN A 107 -2.336 -10.669 -2.338 1.00 30.51 H new ATOM 1753 N PRO A 108 -0.857 -8.951 -5.219 1.00 33.02 N ATOM 1754 CA PRO A 108 -1.477 -7.630 -5.448 1.00 71.23 C ATOM 1755 C PRO A 108 -2.765 -7.714 -6.293 1.00 44.11 C ATOM 1756 O PRO A 108 -2.840 -8.485 -7.253 1.00 45.43 O ATOM 1757 CB PRO A 108 -0.379 -6.859 -6.198 1.00 51.01 C ATOM 1758 CG PRO A 108 0.414 -7.914 -6.892 1.00 74.52 C ATOM 1759 CD PRO A 108 0.402 -9.111 -5.975 1.00 41.14 C ATOM 0 HA PRO A 108 -1.793 -7.158 -4.518 1.00 71.23 H new ATOM 0 HB2 PRO A 108 -0.806 -6.152 -6.909 1.00 51.01 H new ATOM 0 HB3 PRO A 108 0.242 -6.284 -5.511 1.00 51.01 H new ATOM 0 HG2 PRO A 108 -0.024 -8.159 -7.860 1.00 74.52 H new ATOM 0 HG3 PRO A 108 1.433 -7.576 -7.080 1.00 74.52 H new ATOM 0 HD2 PRO A 108 0.418 -10.046 -6.535 1.00 41.14 H new ATOM 0 HD3 PRO A 108 1.269 -9.120 -5.314 1.00 41.14 H new ATOM 1767 N ILE A 109 -3.770 -6.912 -5.941 1.00 42.44 N ATOM 1768 CA ILE A 109 -5.058 -6.927 -6.651 1.00 42.43 C ATOM 1769 C ILE A 109 -5.101 -5.882 -7.781 1.00 34.43 C ATOM 1770 O ILE A 109 -5.041 -4.675 -7.523 1.00 33.34 O ATOM 1771 CB ILE A 109 -6.241 -6.670 -5.681 1.00 72.25 C ATOM 1772 CG1 ILE A 109 -6.242 -7.706 -4.543 1.00 40.33 C ATOM 1773 CG2 ILE A 109 -7.575 -6.697 -6.433 1.00 22.42 C ATOM 1774 CD1 ILE A 109 -6.403 -9.142 -5.008 1.00 23.23 C ATOM 0 H ILE A 109 -3.722 -6.244 -5.172 1.00 42.44 H new ATOM 0 HA ILE A 109 -5.157 -7.921 -7.086 1.00 42.43 H new ATOM 0 HB ILE A 109 -6.115 -5.679 -5.245 1.00 72.25 H new ATOM 0 HG12 ILE A 109 -5.309 -7.619 -3.987 1.00 40.33 H new ATOM 0 HG13 ILE A 109 -7.049 -7.468 -3.851 1.00 40.33 H new ATOM 0 HG21 ILE A 109 -8.391 -6.515 -5.733 1.00 22.42 H new ATOM 0 HG22 ILE A 109 -7.576 -5.923 -7.201 1.00 22.42 H new ATOM 0 HG23 ILE A 109 -7.709 -7.672 -6.901 1.00 22.42 H new ATOM 0 HD11 ILE A 109 -6.393 -9.807 -4.145 1.00 23.23 H new ATOM 0 HD12 ILE A 109 -7.350 -9.249 -5.538 1.00 23.23 H new ATOM 0 HD13 ILE A 109 -5.582 -9.402 -5.676 1.00 23.23 H new ATOM 1786 N PRO A 110 -5.212 -6.335 -9.049 1.00 61.04 N ATOM 1787 CA PRO A 110 -5.269 -5.434 -10.216 1.00 4.22 C ATOM 1788 C PRO A 110 -6.522 -4.534 -10.237 1.00 10.01 C ATOM 1789 O PRO A 110 -7.454 -4.712 -9.447 1.00 23.21 O ATOM 1790 CB PRO A 110 -5.271 -6.398 -11.423 1.00 44.04 C ATOM 1791 CG PRO A 110 -4.787 -7.702 -10.880 1.00 23.44 C ATOM 1792 CD PRO A 110 -5.266 -7.751 -9.456 1.00 3.23 C ATOM 0 HA PRO A 110 -4.435 -4.733 -10.212 1.00 4.22 H new ATOM 0 HB2 PRO A 110 -6.270 -6.495 -11.849 1.00 44.04 H new ATOM 0 HB3 PRO A 110 -4.619 -6.036 -12.218 1.00 44.04 H new ATOM 0 HG2 PRO A 110 -5.184 -8.538 -11.456 1.00 23.44 H new ATOM 0 HG3 PRO A 110 -3.700 -7.768 -10.930 1.00 23.44 H new ATOM 0 HD2 PRO A 110 -6.275 -8.156 -9.382 1.00 3.23 H new ATOM 0 HD3 PRO A 110 -4.625 -8.376 -8.834 1.00 3.23 H new