USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=22 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 -118:sc= 0.474 USER MOD Set 1.2: A 71 ASN : amide:sc= 0.428 K(o=0.9,f=0.25) USER MOD Set 2.1: A 54 SER OG : rot -74:sc= 1.32 USER MOD Set 2.2: A 63 HIS : no HD1:sc= 1.07 K(o=2.4,f=-5.1!) USER MOD Single : A 17 GLN : amide:sc= -0.0745 X(o=-0.074,f=-0.57) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0.798 K(o=0.8,f=-2.9!) USER MOD Single : A 30 GLN : amide:sc= -1.27! X(o=-1.3!,f=-0.78) USER MOD Single : A 34 LYS NZ :NH3+ -153:sc= -2.22! (180deg=-4.12!) USER MOD Single : A 35 LYS NZ :NH3+ -131:sc= -1.36 (180deg=-3.86!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 168:sc= 0.477 USER MOD Single : A 51 TYR OH : rot -85:sc= 0.504 USER MOD Single : A 56 TYR OH : rot 89:sc= 0.914 USER MOD Single : A 57 SER OG : rot -80:sc= 0.299 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -1.06 K(o=-1.1,f=-4.9!) USER MOD Single : A 72 MET CE :methyl -122:sc= -1.75 (180deg=-3.33!) 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= -0.157 X(o=-0.16,f=-0.043) USER MOD Single : A 89 HIS : no HD1:sc= -0.015 X(o=-0.015,f=-0.43) USER MOD Single : A 90 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.4!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -74:sc= 0.666 USER MOD Single : A 93 THR OG1 : rot -100:sc= 1.22 USER MOD Single : A 94 LYS NZ :NH3+ -170:sc=-0.00964 (180deg=-0.15) USER MOD Single : A 95 GLN : amide:sc= -0.115 K(o=-0.11,f=-0.81) USER MOD Single : A 98 THR OG1 : rot -124:sc= 0.374 USER MOD Single : A 99 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0628) USER MOD Single : A 100 LYS NZ :NH3+ -147:sc= 1.18 (180deg=-0.209) USER MOD Single : A 101 SER OG : rot 150:sc= -0.598 USER MOD Single : A 107 ASN : amide:sc= -0.926 X(o=-0.93,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 203 N PRO A 13 5.987 2.998 -13.895 1.00 5.14 N ATOM 204 CA PRO A 13 5.569 4.091 -12.993 1.00 61.45 C ATOM 205 C PRO A 13 4.274 3.767 -12.217 1.00 13.34 C ATOM 206 O PRO A 13 3.658 2.719 -12.424 1.00 73.22 O ATOM 207 CB PRO A 13 5.359 5.284 -13.945 1.00 15.40 C ATOM 208 CG PRO A 13 5.129 4.674 -15.287 1.00 3.22 C ATOM 209 CD PRO A 13 5.945 3.407 -15.313 1.00 31.31 C ATOM 0 HA PRO A 13 6.310 4.279 -12.216 1.00 61.45 H new ATOM 0 HB2 PRO A 13 4.507 5.890 -13.636 1.00 15.40 H new ATOM 0 HB3 PRO A 13 6.230 5.939 -13.954 1.00 15.40 H new ATOM 0 HG2 PRO A 13 4.072 4.460 -15.442 1.00 3.22 H new ATOM 0 HG3 PRO A 13 5.437 5.353 -16.082 1.00 3.22 H new ATOM 0 HD2 PRO A 13 5.482 2.643 -15.938 1.00 31.31 H new ATOM 0 HD3 PRO A 13 6.945 3.581 -15.711 1.00 31.31 H new ATOM 217 N LEU A 14 3.856 4.684 -11.345 1.00 73.12 N ATOM 218 CA LEU A 14 2.722 4.445 -10.437 1.00 30.30 C ATOM 219 C LEU A 14 1.403 4.205 -11.197 1.00 3.23 C ATOM 220 O LEU A 14 0.661 3.270 -10.896 1.00 13.32 O ATOM 221 CB LEU A 14 2.569 5.631 -9.472 1.00 71.55 C ATOM 222 CG LEU A 14 1.531 5.453 -8.346 1.00 21.13 C ATOM 223 CD1 LEU A 14 1.859 4.233 -7.488 1.00 70.04 C ATOM 224 CD2 LEU A 14 1.457 6.713 -7.486 1.00 32.24 C ATOM 0 H LEU A 14 4.284 5.604 -11.244 1.00 73.12 H new ATOM 0 HA LEU A 14 2.938 3.537 -9.875 1.00 30.30 H new ATOM 0 HB2 LEU A 14 3.539 5.832 -9.017 1.00 71.55 H new ATOM 0 HB3 LEU A 14 2.300 6.514 -10.052 1.00 71.55 H new ATOM 0 HG LEU A 14 0.556 5.289 -8.804 1.00 21.13 H new ATOM 0 HD11 LEU A 14 1.112 4.130 -6.701 1.00 70.04 H new ATOM 0 HD12 LEU A 14 1.856 3.339 -8.111 1.00 70.04 H new ATOM 0 HD13 LEU A 14 2.844 4.358 -7.039 1.00 70.04 H new ATOM 0 HD21 LEU A 14 0.720 6.571 -6.696 1.00 32.24 H new ATOM 0 HD22 LEU A 14 2.433 6.908 -7.041 1.00 32.24 H new ATOM 0 HD23 LEU A 14 1.165 7.560 -8.106 1.00 32.24 H new ATOM 236 N ALA A 15 1.125 5.047 -12.193 1.00 34.43 N ATOM 237 CA ALA A 15 -0.109 4.943 -12.989 1.00 13.24 C ATOM 238 C ALA A 15 -0.171 3.635 -13.802 1.00 73.24 C ATOM 239 O ALA A 15 -1.243 3.203 -14.230 1.00 71.23 O ATOM 240 CB ALA A 15 -0.231 6.150 -13.915 1.00 14.13 C ATOM 0 H ALA A 15 1.738 5.813 -12.472 1.00 34.43 H new ATOM 0 HA ALA A 15 -0.949 4.928 -12.295 1.00 13.24 H new ATOM 0 HB1 ALA A 15 -1.146 6.068 -14.502 1.00 14.13 H new ATOM 0 HB2 ALA A 15 -0.262 7.063 -13.320 1.00 14.13 H new ATOM 0 HB3 ALA A 15 0.628 6.183 -14.585 1.00 14.13 H new ATOM 246 N GLU A 16 0.987 3.012 -14.001 1.00 23.11 N ATOM 247 CA GLU A 16 1.088 1.765 -14.773 1.00 20.44 C ATOM 248 C GLU A 16 0.975 0.519 -13.879 1.00 5.45 C ATOM 249 O GLU A 16 0.958 -0.612 -14.378 1.00 75.20 O ATOM 250 CB GLU A 16 2.426 1.737 -15.528 1.00 10.12 C ATOM 251 CG GLU A 16 2.462 2.603 -16.784 1.00 10.30 C ATOM 252 CD GLU A 16 1.698 1.983 -17.945 1.00 1.34 C ATOM 253 OE1 GLU A 16 2.130 0.919 -18.439 1.00 34.24 O ATOM 254 OE2 GLU A 16 0.681 2.561 -18.381 1.00 34.30 O ATOM 0 H GLU A 16 1.878 3.349 -13.637 1.00 23.11 H new ATOM 0 HA GLU A 16 0.255 1.742 -15.476 1.00 20.44 H new ATOM 0 HB2 GLU A 16 3.217 2.065 -14.853 1.00 10.12 H new ATOM 0 HB3 GLU A 16 2.651 0.707 -15.805 1.00 10.12 H new ATOM 0 HG2 GLU A 16 2.040 3.582 -16.558 1.00 10.30 H new ATOM 0 HG3 GLU A 16 3.499 2.764 -17.080 1.00 10.30 H new ATOM 261 N GLN A 17 0.897 0.727 -12.567 1.00 62.44 N ATOM 262 CA GLN A 17 0.862 -0.384 -11.605 1.00 72.23 C ATOM 263 C GLN A 17 -0.541 -0.995 -11.466 1.00 14.43 C ATOM 264 O GLN A 17 -1.540 -0.282 -11.353 1.00 31.00 O ATOM 265 CB GLN A 17 1.360 0.091 -10.237 1.00 55.20 C ATOM 266 CG GLN A 17 2.829 0.496 -10.231 1.00 15.31 C ATOM 267 CD GLN A 17 3.761 -0.655 -10.585 1.00 23.54 C ATOM 268 OE1 GLN A 17 3.470 -1.816 -10.323 1.00 34.51 O ATOM 269 NE2 GLN A 17 4.892 -0.341 -11.183 1.00 34.44 N ATOM 0 H GLN A 17 0.857 1.653 -12.140 1.00 62.44 H new ATOM 0 HA GLN A 17 1.520 -1.164 -11.989 1.00 72.23 H new ATOM 0 HB2 GLN A 17 0.756 0.939 -9.914 1.00 55.20 H new ATOM 0 HB3 GLN A 17 1.208 -0.705 -9.508 1.00 55.20 H new ATOM 0 HG2 GLN A 17 2.979 1.310 -10.940 1.00 15.31 H new ATOM 0 HG3 GLN A 17 3.091 0.879 -9.245 1.00 15.31 H new ATOM 0 HE21 GLN A 17 5.107 0.635 -11.388 1.00 34.44 H new ATOM 0 HE22 GLN A 17 5.553 -1.074 -11.441 1.00 34.44 H new ATOM 278 N ASP A 18 -0.604 -2.325 -11.459 1.00 25.52 N ATOM 279 CA ASP A 18 -1.873 -3.049 -11.351 1.00 72.31 C ATOM 280 C ASP A 18 -2.527 -2.854 -9.970 1.00 20.11 C ATOM 281 O ASP A 18 -3.748 -2.741 -9.860 1.00 3.43 O ATOM 282 CB ASP A 18 -1.649 -4.540 -11.631 1.00 14.32 C ATOM 283 CG ASP A 18 -0.683 -5.184 -10.651 1.00 40.14 C ATOM 284 OD1 ASP A 18 0.495 -4.771 -10.616 1.00 63.42 O ATOM 285 OD2 ASP A 18 -1.088 -6.109 -9.919 1.00 33.23 O ATOM 0 H ASP A 18 0.215 -2.929 -11.527 1.00 25.52 H new ATOM 0 HA ASP A 18 -2.556 -2.640 -12.095 1.00 72.31 H new ATOM 0 HB2 ASP A 18 -2.605 -5.061 -11.587 1.00 14.32 H new ATOM 0 HB3 ASP A 18 -1.266 -4.661 -12.644 1.00 14.32 H new ATOM 290 N TRP A 19 -1.710 -2.804 -8.924 1.00 42.14 N ATOM 291 CA TRP A 19 -2.212 -2.597 -7.559 1.00 71.10 C ATOM 292 C TRP A 19 -2.606 -1.128 -7.290 1.00 44.22 C ATOM 293 O TRP A 19 -3.088 -0.794 -6.206 1.00 3.12 O ATOM 294 CB TRP A 19 -1.176 -3.082 -6.527 1.00 31.21 C ATOM 295 CG TRP A 19 0.244 -2.696 -6.844 1.00 74.24 C ATOM 296 CD1 TRP A 19 1.195 -3.492 -7.420 1.00 52.31 C ATOM 297 CD2 TRP A 19 0.877 -1.431 -6.604 1.00 12.03 C ATOM 298 NE1 TRP A 19 2.372 -2.801 -7.548 1.00 70.24 N ATOM 299 CE2 TRP A 19 2.205 -1.537 -7.055 1.00 41.54 C ATOM 300 CE3 TRP A 19 0.449 -0.222 -6.053 1.00 33.42 C ATOM 301 CZ2 TRP A 19 3.108 -0.480 -6.969 1.00 63.13 C ATOM 302 CZ3 TRP A 19 1.346 0.827 -5.971 1.00 75.03 C ATOM 303 CH2 TRP A 19 2.663 0.692 -6.425 1.00 33.55 C ATOM 0 H TRP A 19 -0.697 -2.903 -8.989 1.00 42.14 H new ATOM 0 HA TRP A 19 -3.121 -3.190 -7.457 1.00 71.10 H new ATOM 0 HB2 TRP A 19 -1.439 -2.680 -5.549 1.00 31.21 H new ATOM 0 HB3 TRP A 19 -1.237 -4.168 -6.452 1.00 31.21 H new ATOM 0 HD1 TRP A 19 1.041 -4.515 -7.729 1.00 52.31 H new ATOM 0 HE1 TRP A 19 3.235 -3.171 -7.947 1.00 70.24 H new ATOM 0 HE3 TRP A 19 -0.564 -0.108 -5.697 1.00 33.42 H new ATOM 0 HZ2 TRP A 19 4.124 -0.583 -7.320 1.00 63.13 H new ATOM 0 HZ3 TRP A 19 1.025 1.768 -5.549 1.00 75.03 H new ATOM 0 HH2 TRP A 19 3.340 1.529 -6.344 1.00 33.55 H new ATOM 314 N TYR A 20 -2.418 -0.257 -8.280 1.00 60.02 N ATOM 315 CA TYR A 20 -2.795 1.157 -8.153 1.00 43.22 C ATOM 316 C TYR A 20 -4.172 1.425 -8.791 1.00 4.55 C ATOM 317 O TYR A 20 -4.330 1.360 -10.011 1.00 15.12 O ATOM 318 CB TYR A 20 -1.722 2.048 -8.797 1.00 41.44 C ATOM 319 CG TYR A 20 -2.017 3.534 -8.701 1.00 0.34 C ATOM 320 CD1 TYR A 20 -1.971 4.193 -7.476 1.00 54.15 C ATOM 321 CD2 TYR A 20 -2.342 4.279 -9.832 1.00 11.13 C ATOM 322 CE1 TYR A 20 -2.240 5.544 -7.381 1.00 23.41 C ATOM 323 CE2 TYR A 20 -2.611 5.630 -9.745 1.00 1.15 C ATOM 324 CZ TYR A 20 -2.559 6.256 -8.519 1.00 11.45 C ATOM 325 OH TYR A 20 -2.829 7.603 -8.430 1.00 63.04 O ATOM 0 H TYR A 20 -2.007 -0.502 -9.181 1.00 60.02 H new ATOM 0 HA TYR A 20 -2.866 1.398 -7.092 1.00 43.22 H new ATOM 0 HB2 TYR A 20 -0.763 1.847 -8.320 1.00 41.44 H new ATOM 0 HB3 TYR A 20 -1.620 1.775 -9.847 1.00 41.44 H new ATOM 0 HD1 TYR A 20 -1.721 3.638 -6.584 1.00 54.15 H new ATOM 0 HD2 TYR A 20 -2.384 3.791 -10.794 1.00 11.13 H new ATOM 0 HE1 TYR A 20 -2.201 6.040 -6.422 1.00 23.41 H new ATOM 0 HE2 TYR A 20 -2.861 6.193 -10.632 1.00 1.15 H new ATOM 0 HH TYR A 20 -3.034 7.955 -9.321 1.00 63.04 H new ATOM 335 N HIS A 21 -5.169 1.736 -7.961 1.00 44.31 N ATOM 336 CA HIS A 21 -6.548 1.938 -8.440 1.00 34.31 C ATOM 337 C HIS A 21 -6.945 3.429 -8.496 1.00 32.13 C ATOM 338 O HIS A 21 -8.114 3.757 -8.701 1.00 41.13 O ATOM 339 CB HIS A 21 -7.533 1.160 -7.555 1.00 22.42 C ATOM 340 CG HIS A 21 -7.443 -0.331 -7.716 1.00 70.11 C ATOM 341 ND1 HIS A 21 -8.490 -1.098 -8.181 1.00 73.13 N ATOM 342 CD2 HIS A 21 -6.433 -1.204 -7.464 1.00 65.44 C ATOM 343 CE1 HIS A 21 -8.133 -2.366 -8.207 1.00 64.42 C ATOM 344 NE2 HIS A 21 -6.890 -2.461 -7.779 1.00 61.32 N ATOM 0 H HIS A 21 -5.053 1.855 -6.955 1.00 44.31 H new ATOM 0 HA HIS A 21 -6.592 1.558 -9.461 1.00 34.31 H new ATOM 0 HB2 HIS A 21 -7.350 1.415 -6.511 1.00 22.42 H new ATOM 0 HB3 HIS A 21 -8.548 1.481 -7.788 1.00 22.42 H new ATOM 0 HD2 HIS A 21 -5.452 -0.956 -7.086 1.00 65.44 H new ATOM 0 HE1 HIS A 21 -8.755 -3.190 -8.526 1.00 64.42 H new ATOM 0 HE2 HIS A 21 -6.355 -3.326 -7.695 1.00 61.32 H new ATOM 353 N GLY A 22 -5.974 4.323 -8.322 1.00 30.15 N ATOM 354 CA GLY A 22 -6.245 5.760 -8.411 1.00 2.23 C ATOM 355 C GLY A 22 -6.852 6.349 -7.140 1.00 74.04 C ATOM 356 O GLY A 22 -6.673 5.810 -6.046 1.00 64.32 O ATOM 0 H GLY A 22 -5.003 4.084 -8.121 1.00 30.15 H new ATOM 0 HA2 GLY A 22 -5.315 6.283 -8.635 1.00 2.23 H new ATOM 0 HA3 GLY A 22 -6.923 5.942 -9.245 1.00 2.23 H new ATOM 360 N ALA A 23 -7.569 7.461 -7.277 1.00 61.42 N ATOM 361 CA ALA A 23 -8.171 8.141 -6.124 1.00 60.11 C ATOM 362 C ALA A 23 -9.599 7.639 -5.851 1.00 12.51 C ATOM 363 O ALA A 23 -10.581 8.257 -6.265 1.00 23.41 O ATOM 364 CB ALA A 23 -8.159 9.653 -6.332 1.00 61.13 C ATOM 0 H ALA A 23 -7.750 7.914 -8.173 1.00 61.42 H new ATOM 0 HA ALA A 23 -7.569 7.904 -5.247 1.00 60.11 H new ATOM 0 HB1 ALA A 23 -8.609 10.143 -5.468 1.00 61.13 H new ATOM 0 HB2 ALA A 23 -7.131 9.996 -6.449 1.00 61.13 H new ATOM 0 HB3 ALA A 23 -8.729 9.902 -7.227 1.00 61.13 H new ATOM 370 N ILE A 24 -9.705 6.501 -5.168 1.00 64.21 N ATOM 371 CA ILE A 24 -11.006 5.907 -4.825 1.00 62.12 C ATOM 372 C ILE A 24 -11.311 6.047 -3.321 1.00 74.12 C ATOM 373 O ILE A 24 -10.395 6.108 -2.502 1.00 51.51 O ATOM 374 CB ILE A 24 -11.057 4.408 -5.225 1.00 41.15 C ATOM 375 CG1 ILE A 24 -9.945 3.619 -4.511 1.00 15.24 C ATOM 376 CG2 ILE A 24 -10.947 4.252 -6.740 1.00 1.24 C ATOM 377 CD1 ILE A 24 -9.942 2.139 -4.824 1.00 2.22 C ATOM 0 H ILE A 24 -8.903 5.965 -4.837 1.00 64.21 H new ATOM 0 HA ILE A 24 -11.764 6.453 -5.387 1.00 62.12 H new ATOM 0 HB ILE A 24 -12.018 4.001 -4.911 1.00 41.15 H new ATOM 0 HG12 ILE A 24 -8.979 4.041 -4.789 1.00 15.24 H new ATOM 0 HG13 ILE A 24 -10.053 3.752 -3.435 1.00 15.24 H new ATOM 0 HG21 ILE A 24 -10.985 3.194 -7.001 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -11.775 4.774 -7.221 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -10.003 4.676 -7.082 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -9.129 1.654 -4.283 1.00 2.22 H new ATOM 0 HD12 ILE A 24 -10.893 1.701 -4.520 1.00 2.22 H new ATOM 0 HD13 ILE A 24 -9.802 1.994 -5.895 1.00 2.22 H new ATOM 389 N PRO A 25 -12.603 6.122 -2.939 1.00 72.44 N ATOM 390 CA PRO A 25 -13.020 6.233 -1.525 1.00 70.20 C ATOM 391 C PRO A 25 -12.727 4.970 -0.690 1.00 32.54 C ATOM 392 O PRO A 25 -12.288 3.940 -1.216 1.00 12.24 O ATOM 393 CB PRO A 25 -14.542 6.473 -1.612 1.00 23.42 C ATOM 394 CG PRO A 25 -14.803 6.852 -3.034 1.00 63.31 C ATOM 395 CD PRO A 25 -13.763 6.137 -3.845 1.00 3.22 C ATOM 0 HA PRO A 25 -12.468 7.025 -1.019 1.00 70.20 H new ATOM 0 HB2 PRO A 25 -15.098 5.577 -1.336 1.00 23.42 H new ATOM 0 HB3 PRO A 25 -14.855 7.264 -0.931 1.00 23.42 H new ATOM 0 HG2 PRO A 25 -15.807 6.558 -3.339 1.00 63.31 H new ATOM 0 HG3 PRO A 25 -14.732 7.931 -3.171 1.00 63.31 H new ATOM 0 HD2 PRO A 25 -14.081 5.129 -4.114 1.00 3.22 H new ATOM 0 HD3 PRO A 25 -13.544 6.661 -4.775 1.00 3.22 H new ATOM 403 N ARG A 26 -12.998 5.052 0.620 1.00 51.33 N ATOM 404 CA ARG A 26 -12.736 3.940 1.544 1.00 74.02 C ATOM 405 C ARG A 26 -13.476 2.668 1.107 1.00 50.20 C ATOM 406 O ARG A 26 -12.910 1.573 1.108 1.00 72.23 O ATOM 407 CB ARG A 26 -13.165 4.309 2.976 1.00 25.31 C ATOM 408 CG ARG A 26 -12.854 3.221 4.007 1.00 43.51 C ATOM 409 CD ARG A 26 -13.513 3.493 5.358 1.00 50.25 C ATOM 410 NE ARG A 26 -13.114 4.776 5.933 1.00 74.11 N ATOM 411 CZ ARG A 26 -13.016 5.013 7.215 1.00 73.02 C ATOM 412 NH1 ARG A 26 -13.245 4.077 8.083 1.00 5.05 N ATOM 413 NH2 ARG A 26 -12.688 6.192 7.624 1.00 35.34 N ATOM 0 H ARG A 26 -13.399 5.878 1.064 1.00 51.33 H new ATOM 0 HA ARG A 26 -11.663 3.748 1.525 1.00 74.02 H new ATOM 0 HB2 ARG A 26 -12.664 5.231 3.270 1.00 25.31 H new ATOM 0 HB3 ARG A 26 -14.236 4.511 2.985 1.00 25.31 H new ATOM 0 HG2 ARG A 26 -13.194 2.257 3.628 1.00 43.51 H new ATOM 0 HG3 ARG A 26 -11.775 3.149 4.140 1.00 43.51 H new ATOM 0 HD2 ARG A 26 -14.596 3.474 5.239 1.00 50.25 H new ATOM 0 HD3 ARG A 26 -13.254 2.693 6.051 1.00 50.25 H new ATOM 0 HE ARG A 26 -12.897 5.538 5.291 1.00 74.11 H new ATOM 0 HH11 ARG A 26 -13.505 3.142 7.768 1.00 5.05 H new ATOM 0 HH12 ARG A 26 -13.165 4.276 9.080 1.00 5.05 H new ATOM 0 HH21 ARG A 26 -12.507 6.934 6.948 1.00 35.34 H new ATOM 0 HH22 ARG A 26 -12.610 6.382 8.623 1.00 35.34 H new ATOM 427 N ILE A 27 -14.747 2.827 0.736 1.00 74.10 N ATOM 428 CA ILE A 27 -15.579 1.700 0.308 1.00 60.25 C ATOM 429 C ILE A 27 -14.938 0.936 -0.860 1.00 23.14 C ATOM 430 O ILE A 27 -14.645 -0.250 -0.746 1.00 21.31 O ATOM 431 CB ILE A 27 -16.997 2.181 -0.099 1.00 62.34 C ATOM 432 CG1 ILE A 27 -17.700 2.847 1.097 1.00 71.32 C ATOM 433 CG2 ILE A 27 -17.833 1.019 -0.633 1.00 75.11 C ATOM 434 CD1 ILE A 27 -19.073 3.403 0.774 1.00 23.11 C ATOM 0 H ILE A 27 -15.225 3.728 0.723 1.00 74.10 H new ATOM 0 HA ILE A 27 -15.662 1.023 1.158 1.00 60.25 H new ATOM 0 HB ILE A 27 -16.893 2.917 -0.896 1.00 62.34 H new ATOM 0 HG12 ILE A 27 -17.795 2.118 1.902 1.00 71.32 H new ATOM 0 HG13 ILE A 27 -17.071 3.655 1.471 1.00 71.32 H new ATOM 0 HG21 ILE A 27 -18.823 1.381 -0.912 1.00 75.11 H new ATOM 0 HG22 ILE A 27 -17.344 0.590 -1.508 1.00 75.11 H new ATOM 0 HG23 ILE A 27 -17.930 0.256 0.139 1.00 75.11 H new ATOM 0 HD11 ILE A 27 -19.502 3.855 1.668 1.00 23.11 H new ATOM 0 HD12 ILE A 27 -18.985 4.157 -0.008 1.00 23.11 H new ATOM 0 HD13 ILE A 27 -19.720 2.597 0.429 1.00 23.11 H new ATOM 446 N GLU A 28 -14.675 1.637 -1.960 1.00 3.45 N ATOM 447 CA GLU A 28 -14.083 1.024 -3.158 1.00 21.23 C ATOM 448 C GLU A 28 -12.758 0.305 -2.844 1.00 13.44 C ATOM 449 O GLU A 28 -12.417 -0.698 -3.472 1.00 73.32 O ATOM 450 CB GLU A 28 -13.852 2.096 -4.229 1.00 22.21 C ATOM 451 CG GLU A 28 -15.126 2.804 -4.682 1.00 41.21 C ATOM 452 CD GLU A 28 -16.049 1.909 -5.494 1.00 34.01 C ATOM 453 OE1 GLU A 28 -15.636 1.447 -6.578 1.00 22.24 O ATOM 454 OE2 GLU A 28 -17.203 1.691 -5.069 1.00 14.22 O ATOM 0 H GLU A 28 -14.862 2.636 -2.052 1.00 3.45 H new ATOM 0 HA GLU A 28 -14.784 0.276 -3.527 1.00 21.23 H new ATOM 0 HB2 GLU A 28 -13.154 2.838 -3.841 1.00 22.21 H new ATOM 0 HB3 GLU A 28 -13.378 1.634 -5.095 1.00 22.21 H new ATOM 0 HG2 GLU A 28 -15.662 3.170 -3.806 1.00 41.21 H new ATOM 0 HG3 GLU A 28 -14.858 3.676 -5.279 1.00 41.21 H new ATOM 461 N ALA A 29 -12.023 0.820 -1.863 1.00 31.13 N ATOM 462 CA ALA A 29 -10.734 0.240 -1.479 1.00 32.22 C ATOM 463 C ALA A 29 -10.903 -1.049 -0.659 1.00 34.23 C ATOM 464 O ALA A 29 -10.155 -2.012 -0.832 1.00 11.45 O ATOM 465 CB ALA A 29 -9.917 1.261 -0.693 1.00 0.00 C ATOM 0 H ALA A 29 -12.295 1.638 -1.318 1.00 31.13 H new ATOM 0 HA ALA A 29 -10.205 -0.024 -2.395 1.00 32.22 H new ATOM 0 HB1 ALA A 29 -8.960 0.822 -0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.744 2.142 -1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.462 1.549 0.206 1.00 0.00 H new ATOM 471 N GLN A 30 -11.889 -1.066 0.234 1.00 22.40 N ATOM 472 CA GLN A 30 -12.090 -2.206 1.137 1.00 4.50 C ATOM 473 C GLN A 30 -12.974 -3.304 0.513 1.00 63.23 C ATOM 474 O GLN A 30 -12.821 -4.481 0.837 1.00 55.21 O ATOM 475 CB GLN A 30 -12.691 -1.735 2.470 1.00 33.04 C ATOM 476 CG GLN A 30 -14.110 -1.194 2.360 1.00 32.21 C ATOM 477 CD GLN A 30 -14.702 -0.806 3.708 1.00 40.31 C ATOM 478 OE1 GLN A 30 -14.320 -1.335 4.747 1.00 62.32 O ATOM 479 NE2 GLN A 30 -15.651 0.105 3.703 1.00 33.42 N ATOM 0 H GLN A 30 -12.561 -0.309 0.355 1.00 22.40 H new ATOM 0 HA GLN A 30 -11.109 -2.646 1.317 1.00 4.50 H new ATOM 0 HB2 GLN A 30 -12.686 -2.568 3.172 1.00 33.04 H new ATOM 0 HB3 GLN A 30 -12.050 -0.960 2.890 1.00 33.04 H new ATOM 0 HG2 GLN A 30 -14.112 -0.324 1.704 1.00 32.21 H new ATOM 0 HG3 GLN A 30 -14.745 -1.947 1.893 1.00 32.21 H new ATOM 0 HE21 GLN A 30 -15.948 0.527 2.823 1.00 33.42 H new ATOM 0 HE22 GLN A 30 -16.090 0.389 4.579 1.00 33.42 H new ATOM 488 N GLU A 31 -13.886 -2.913 -0.386 1.00 34.32 N ATOM 489 CA GLU A 31 -14.837 -3.855 -1.007 1.00 34.55 C ATOM 490 C GLU A 31 -14.137 -5.042 -1.690 1.00 23.33 C ATOM 491 O GLU A 31 -14.630 -6.171 -1.642 1.00 23.11 O ATOM 492 CB GLU A 31 -15.731 -3.130 -2.029 1.00 64.02 C ATOM 493 CG GLU A 31 -16.780 -2.216 -1.403 1.00 21.41 C ATOM 494 CD GLU A 31 -17.834 -2.981 -0.619 1.00 24.13 C ATOM 495 OE1 GLU A 31 -18.730 -3.582 -1.249 1.00 44.04 O ATOM 496 OE2 GLU A 31 -17.764 -3.003 0.629 1.00 52.14 O ATOM 0 H GLU A 31 -13.989 -1.949 -0.703 1.00 34.32 H new ATOM 0 HA GLU A 31 -15.448 -4.253 -0.197 1.00 34.55 H new ATOM 0 HB2 GLU A 31 -15.100 -2.539 -2.693 1.00 64.02 H new ATOM 0 HB3 GLU A 31 -16.235 -3.874 -2.647 1.00 64.02 H new ATOM 0 HG2 GLU A 31 -16.287 -1.504 -0.741 1.00 21.41 H new ATOM 0 HG3 GLU A 31 -17.266 -1.637 -2.188 1.00 21.41 H new ATOM 503 N LEU A 32 -13.003 -4.789 -2.334 1.00 40.32 N ATOM 504 CA LEU A 32 -12.272 -5.849 -3.043 1.00 71.31 C ATOM 505 C LEU A 32 -11.479 -6.746 -2.074 1.00 51.11 C ATOM 506 O LEU A 32 -11.277 -7.932 -2.339 1.00 42.51 O ATOM 507 CB LEU A 32 -11.354 -5.231 -4.117 1.00 25.23 C ATOM 508 CG LEU A 32 -10.242 -4.282 -3.612 1.00 74.30 C ATOM 509 CD1 LEU A 32 -8.986 -5.058 -3.222 1.00 35.42 C ATOM 510 CD2 LEU A 32 -9.915 -3.226 -4.669 1.00 11.33 C ATOM 0 H LEU A 32 -12.567 -3.868 -2.384 1.00 40.32 H new ATOM 0 HA LEU A 32 -13.001 -6.491 -3.537 1.00 71.31 H new ATOM 0 HB2 LEU A 32 -10.884 -6.043 -4.672 1.00 25.23 H new ATOM 0 HB3 LEU A 32 -11.977 -4.681 -4.823 1.00 25.23 H new ATOM 0 HG LEU A 32 -10.613 -3.777 -2.720 1.00 74.30 H new ATOM 0 HD11 LEU A 32 -8.223 -4.363 -2.871 1.00 35.42 H new ATOM 0 HD12 LEU A 32 -9.227 -5.764 -2.427 1.00 35.42 H new ATOM 0 HD13 LEU A 32 -8.610 -5.602 -4.089 1.00 35.42 H new ATOM 0 HD21 LEU A 32 -9.131 -2.568 -4.295 1.00 11.33 H new ATOM 0 HD22 LEU A 32 -9.573 -3.717 -5.580 1.00 11.33 H new ATOM 0 HD23 LEU A 32 -10.808 -2.640 -4.886 1.00 11.33 H new ATOM 522 N LEU A 33 -11.055 -6.175 -0.945 1.00 54.14 N ATOM 523 CA LEU A 33 -10.271 -6.905 0.063 1.00 23.12 C ATOM 524 C LEU A 33 -11.090 -8.059 0.676 1.00 23.53 C ATOM 525 O LEU A 33 -12.049 -7.827 1.416 1.00 52.05 O ATOM 526 CB LEU A 33 -9.815 -5.933 1.165 1.00 53.34 C ATOM 527 CG LEU A 33 -8.977 -4.736 0.678 1.00 14.22 C ATOM 528 CD1 LEU A 33 -8.671 -3.779 1.827 1.00 75.22 C ATOM 529 CD2 LEU A 33 -7.686 -5.212 0.023 1.00 44.04 C ATOM 0 H LEU A 33 -11.241 -5.202 -0.701 1.00 54.14 H new ATOM 0 HA LEU A 33 -9.397 -7.337 -0.425 1.00 23.12 H new ATOM 0 HB2 LEU A 33 -10.697 -5.553 1.680 1.00 53.34 H new ATOM 0 HB3 LEU A 33 -9.232 -6.489 1.899 1.00 53.34 H new ATOM 0 HG LEU A 33 -9.563 -4.197 -0.066 1.00 14.22 H new ATOM 0 HD11 LEU A 33 -8.078 -2.943 1.456 1.00 75.22 H new ATOM 0 HD12 LEU A 33 -9.604 -3.404 2.247 1.00 75.22 H new ATOM 0 HD13 LEU A 33 -8.111 -4.306 2.600 1.00 75.22 H new ATOM 0 HD21 LEU A 33 -7.110 -4.350 -0.314 1.00 44.04 H new ATOM 0 HD22 LEU A 33 -7.100 -5.781 0.745 1.00 44.04 H new ATOM 0 HD23 LEU A 33 -7.924 -5.846 -0.831 1.00 44.04 H new ATOM 541 N LYS A 34 -10.714 -9.303 0.369 1.00 43.00 N ATOM 542 CA LYS A 34 -11.499 -10.472 0.801 1.00 31.15 C ATOM 543 C LYS A 34 -10.652 -11.518 1.549 1.00 12.02 C ATOM 544 O LYS A 34 -11.119 -12.118 2.521 1.00 73.22 O ATOM 545 CB LYS A 34 -12.196 -11.105 -0.415 1.00 34.01 C ATOM 546 CG LYS A 34 -11.239 -11.577 -1.507 1.00 13.54 C ATOM 547 CD LYS A 34 -11.972 -11.943 -2.799 1.00 23.23 C ATOM 548 CE LYS A 34 -12.395 -10.713 -3.607 1.00 51.21 C ATOM 549 NZ LYS A 34 -13.389 -9.865 -2.893 1.00 53.44 N ATOM 0 H LYS A 34 -9.880 -9.530 -0.172 1.00 43.00 H new ATOM 0 HA LYS A 34 -12.247 -10.119 1.511 1.00 31.15 H new ATOM 0 HB2 LYS A 34 -12.792 -11.953 -0.078 1.00 34.01 H new ATOM 0 HB3 LYS A 34 -12.888 -10.379 -0.842 1.00 34.01 H new ATOM 0 HG2 LYS A 34 -10.511 -10.792 -1.714 1.00 13.54 H new ATOM 0 HG3 LYS A 34 -10.681 -12.443 -1.150 1.00 13.54 H new ATOM 0 HD2 LYS A 34 -11.326 -12.571 -3.413 1.00 23.23 H new ATOM 0 HD3 LYS A 34 -12.855 -12.534 -2.556 1.00 23.23 H new ATOM 0 HE2 LYS A 34 -11.513 -10.115 -3.837 1.00 51.21 H new ATOM 0 HE3 LYS A 34 -12.818 -11.037 -4.558 1.00 51.21 H new ATOM 0 HZ1 LYS A 34 -13.968 -9.350 -3.587 1.00 53.44 H new ATOM 0 HZ2 LYS A 34 -14.003 -10.467 -2.309 1.00 53.44 H new ATOM 0 HZ3 LYS A 34 -12.891 -9.184 -2.284 1.00 53.44 H new ATOM 563 N LYS A 35 -9.414 -11.743 1.104 1.00 35.41 N ATOM 564 CA LYS A 35 -8.526 -12.724 1.748 1.00 23.33 C ATOM 565 C LYS A 35 -7.235 -12.067 2.258 1.00 54.14 C ATOM 566 O LYS A 35 -6.809 -11.031 1.747 1.00 22.03 O ATOM 567 CB LYS A 35 -8.183 -13.864 0.776 1.00 44.02 C ATOM 568 CG LYS A 35 -7.425 -13.420 -0.472 1.00 52.23 C ATOM 569 CD LYS A 35 -7.054 -14.591 -1.386 1.00 53.25 C ATOM 570 CE LYS A 35 -8.276 -15.242 -2.042 1.00 73.53 C ATOM 571 NZ LYS A 35 -9.048 -16.107 -1.103 1.00 62.33 N ATOM 0 H LYS A 35 -9.001 -11.263 0.304 1.00 35.41 H new ATOM 0 HA LYS A 35 -9.061 -13.134 2.605 1.00 23.33 H new ATOM 0 HB2 LYS A 35 -7.586 -14.608 1.304 1.00 44.02 H new ATOM 0 HB3 LYS A 35 -9.107 -14.355 0.470 1.00 44.02 H new ATOM 0 HG2 LYS A 35 -8.035 -12.709 -1.029 1.00 52.23 H new ATOM 0 HG3 LYS A 35 -6.517 -12.896 -0.173 1.00 52.23 H new ATOM 0 HD2 LYS A 35 -6.375 -14.239 -2.162 1.00 53.25 H new ATOM 0 HD3 LYS A 35 -6.515 -15.341 -0.807 1.00 53.25 H new ATOM 0 HE2 LYS A 35 -8.931 -14.463 -2.432 1.00 73.53 H new ATOM 0 HE3 LYS A 35 -7.950 -15.839 -2.893 1.00 73.53 H new ATOM 0 HZ1 LYS A 35 -9.230 -17.029 -1.550 1.00 62.33 H new ATOM 0 HZ2 LYS A 35 -8.500 -16.247 -0.230 1.00 62.33 H new ATOM 0 HZ3 LYS A 35 -9.953 -15.649 -0.874 1.00 62.33 H new ATOM 585 N GLN A 36 -6.616 -12.674 3.275 1.00 24.43 N ATOM 586 CA GLN A 36 -5.381 -12.133 3.855 1.00 52.44 C ATOM 587 C GLN A 36 -4.278 -11.993 2.796 1.00 74.22 C ATOM 588 O GLN A 36 -3.723 -12.988 2.316 1.00 10.41 O ATOM 589 CB GLN A 36 -4.883 -13.010 5.015 1.00 55.34 C ATOM 590 CG GLN A 36 -3.587 -12.499 5.644 1.00 62.22 C ATOM 591 CD GLN A 36 -3.082 -13.374 6.780 1.00 54.25 C ATOM 592 OE1 GLN A 36 -2.310 -14.303 6.568 1.00 24.34 O ATOM 593 NE2 GLN A 36 -3.518 -13.093 7.992 1.00 45.21 N ATOM 0 H GLN A 36 -6.946 -13.534 3.712 1.00 24.43 H new ATOM 0 HA GLN A 36 -5.616 -11.141 4.241 1.00 52.44 H new ATOM 0 HB2 GLN A 36 -5.656 -13.060 5.782 1.00 55.34 H new ATOM 0 HB3 GLN A 36 -4.727 -14.026 4.653 1.00 55.34 H new ATOM 0 HG2 GLN A 36 -2.818 -12.436 4.874 1.00 62.22 H new ATOM 0 HG3 GLN A 36 -3.747 -11.488 6.018 1.00 62.22 H new ATOM 0 HE21 GLN A 36 -4.160 -12.313 8.135 1.00 45.21 H new ATOM 0 HE22 GLN A 36 -3.213 -13.655 8.787 1.00 45.21 H new ATOM 602 N GLY A 37 -3.971 -10.752 2.432 1.00 22.41 N ATOM 603 CA GLY A 37 -2.933 -10.491 1.447 1.00 54.14 C ATOM 604 C GLY A 37 -3.324 -9.430 0.429 1.00 2.41 C ATOM 605 O GLY A 37 -2.485 -8.632 0.016 1.00 21.42 O ATOM 0 H GLY A 37 -4.424 -9.917 2.803 1.00 22.41 H new ATOM 0 HA2 GLY A 37 -2.025 -10.175 1.961 1.00 54.14 H new ATOM 0 HA3 GLY A 37 -2.697 -11.418 0.924 1.00 54.14 H new ATOM 609 N ASP A 38 -4.596 -9.427 0.023 1.00 71.42 N ATOM 610 CA ASP A 38 -5.095 -8.457 -0.959 1.00 62.10 C ATOM 611 C ASP A 38 -4.706 -7.024 -0.561 1.00 0.30 C ATOM 612 O ASP A 38 -5.015 -6.583 0.546 1.00 44.33 O ATOM 613 CB ASP A 38 -6.626 -8.546 -1.076 1.00 51.51 C ATOM 614 CG ASP A 38 -7.127 -9.917 -1.503 1.00 52.15 C ATOM 615 OD1 ASP A 38 -6.409 -10.622 -2.242 1.00 52.00 O ATOM 616 OD2 ASP A 38 -8.254 -10.291 -1.106 1.00 3.22 O ATOM 0 H ASP A 38 -5.300 -10.085 0.358 1.00 71.42 H new ATOM 0 HA ASP A 38 -4.641 -8.698 -1.920 1.00 62.10 H new ATOM 0 HB2 ASP A 38 -7.071 -8.290 -0.114 1.00 51.51 H new ATOM 0 HB3 ASP A 38 -6.971 -7.803 -1.795 1.00 51.51 H new ATOM 621 N PHE A 39 -4.023 -6.305 -1.451 1.00 1.44 N ATOM 622 CA PHE A 39 -3.626 -4.920 -1.168 1.00 64.51 C ATOM 623 C PHE A 39 -3.709 -4.024 -2.413 1.00 24.44 C ATOM 624 O PHE A 39 -3.565 -4.489 -3.548 1.00 12.31 O ATOM 625 CB PHE A 39 -2.205 -4.869 -0.577 1.00 43.33 C ATOM 626 CG PHE A 39 -1.096 -5.211 -1.551 1.00 23.44 C ATOM 627 CD1 PHE A 39 -0.727 -6.532 -1.775 1.00 11.42 C ATOM 628 CD2 PHE A 39 -0.415 -4.209 -2.230 1.00 64.43 C ATOM 629 CE1 PHE A 39 0.296 -6.840 -2.654 1.00 55.43 C ATOM 630 CE2 PHE A 39 0.606 -4.515 -3.111 1.00 2.30 C ATOM 631 CZ PHE A 39 0.961 -5.832 -3.322 1.00 34.15 C ATOM 0 H PHE A 39 -3.734 -6.651 -2.366 1.00 1.44 H new ATOM 0 HA PHE A 39 -4.334 -4.533 -0.435 1.00 64.51 H new ATOM 0 HB2 PHE A 39 -2.027 -3.868 -0.183 1.00 43.33 H new ATOM 0 HB3 PHE A 39 -2.153 -5.558 0.266 1.00 43.33 H new ATOM 0 HD1 PHE A 39 -1.244 -7.326 -1.258 1.00 11.42 H new ATOM 0 HD2 PHE A 39 -0.687 -3.176 -2.068 1.00 64.43 H new ATOM 0 HE1 PHE A 39 0.575 -7.871 -2.818 1.00 55.43 H new ATOM 0 HE2 PHE A 39 1.125 -3.725 -3.633 1.00 2.30 H new ATOM 0 HZ PHE A 39 1.758 -6.073 -4.009 1.00 34.15 H new ATOM 641 N LEU A 40 -3.947 -2.734 -2.181 1.00 1.31 N ATOM 642 CA LEU A 40 -3.971 -1.732 -3.250 1.00 42.43 C ATOM 643 C LEU A 40 -3.542 -0.356 -2.720 1.00 23.34 C ATOM 644 O LEU A 40 -3.710 -0.052 -1.536 1.00 72.45 O ATOM 645 CB LEU A 40 -5.374 -1.609 -3.875 1.00 62.34 C ATOM 646 CG LEU A 40 -6.459 -0.986 -2.968 1.00 72.51 C ATOM 647 CD1 LEU A 40 -7.636 -0.486 -3.798 1.00 31.45 C ATOM 648 CD2 LEU A 40 -6.936 -1.987 -1.915 1.00 71.34 C ATOM 0 H LEU A 40 -4.128 -2.353 -1.252 1.00 1.31 H new ATOM 0 HA LEU A 40 -3.269 -2.066 -4.014 1.00 42.43 H new ATOM 0 HB2 LEU A 40 -5.296 -1.009 -4.782 1.00 62.34 H new ATOM 0 HB3 LEU A 40 -5.705 -2.602 -4.177 1.00 62.34 H new ATOM 0 HG LEU A 40 -6.014 -0.135 -2.452 1.00 72.51 H new ATOM 0 HD11 LEU A 40 -8.388 -0.052 -3.139 1.00 31.45 H new ATOM 0 HD12 LEU A 40 -7.289 0.271 -4.502 1.00 31.45 H new ATOM 0 HD13 LEU A 40 -8.074 -1.319 -4.348 1.00 31.45 H new ATOM 0 HD21 LEU A 40 -7.699 -1.522 -1.291 1.00 71.34 H new ATOM 0 HD22 LEU A 40 -7.356 -2.863 -2.410 1.00 71.34 H new ATOM 0 HD23 LEU A 40 -6.094 -2.290 -1.293 1.00 71.34 H new ATOM 660 N VAL A 41 -2.987 0.474 -3.599 1.00 72.34 N ATOM 661 CA VAL A 41 -2.648 1.857 -3.250 1.00 75.22 C ATOM 662 C VAL A 41 -3.626 2.839 -3.911 1.00 1.23 C ATOM 663 O VAL A 41 -3.841 2.803 -5.126 1.00 32.21 O ATOM 664 CB VAL A 41 -1.195 2.208 -3.663 1.00 73.12 C ATOM 665 CG1 VAL A 41 -0.889 3.683 -3.392 1.00 10.53 C ATOM 666 CG2 VAL A 41 -0.201 1.306 -2.931 1.00 3.40 C ATOM 0 H VAL A 41 -2.761 0.216 -4.560 1.00 72.34 H new ATOM 0 HA VAL A 41 -2.728 1.947 -2.167 1.00 75.22 H new ATOM 0 HB VAL A 41 -1.094 2.037 -4.735 1.00 73.12 H new ATOM 0 HG11 VAL A 41 0.136 3.903 -3.690 1.00 10.53 H new ATOM 0 HG12 VAL A 41 -1.575 4.308 -3.964 1.00 10.53 H new ATOM 0 HG13 VAL A 41 -1.010 3.890 -2.329 1.00 10.53 H new ATOM 0 HG21 VAL A 41 0.814 1.564 -3.231 1.00 3.40 H new ATOM 0 HG22 VAL A 41 -0.308 1.445 -1.855 1.00 3.40 H new ATOM 0 HG23 VAL A 41 -0.400 0.265 -3.184 1.00 3.40 H new ATOM 676 N ARG A 42 -4.225 3.702 -3.101 1.00 62.44 N ATOM 677 CA ARG A 42 -5.170 4.708 -3.597 1.00 15.51 C ATOM 678 C ARG A 42 -4.697 6.121 -3.224 1.00 1.45 C ATOM 679 O ARG A 42 -3.831 6.288 -2.367 1.00 20.20 O ATOM 680 CB ARG A 42 -6.564 4.471 -2.995 1.00 42.33 C ATOM 681 CG ARG A 42 -6.644 4.816 -1.510 1.00 22.34 C ATOM 682 CD ARG A 42 -8.065 4.738 -0.962 1.00 32.51 C ATOM 683 NE ARG A 42 -8.174 5.426 0.328 1.00 42.40 N ATOM 684 CZ ARG A 42 -8.660 6.637 0.477 1.00 31.22 C ATOM 685 NH1 ARG A 42 -9.185 7.266 -0.523 1.00 15.45 N ATOM 686 NH2 ARG A 42 -8.641 7.208 1.638 1.00 55.21 N ATOM 0 H ARG A 42 -4.076 3.730 -2.092 1.00 62.44 H new ATOM 0 HA ARG A 42 -5.220 4.619 -4.682 1.00 15.51 H new ATOM 0 HB2 ARG A 42 -7.295 5.069 -3.540 1.00 42.33 H new ATOM 0 HB3 ARG A 42 -6.840 3.426 -3.134 1.00 42.33 H new ATOM 0 HG2 ARG A 42 -6.005 4.135 -0.948 1.00 22.34 H new ATOM 0 HG3 ARG A 42 -6.254 5.822 -1.354 1.00 22.34 H new ATOM 0 HD2 ARG A 42 -8.758 5.185 -1.675 1.00 32.51 H new ATOM 0 HD3 ARG A 42 -8.356 3.694 -0.846 1.00 32.51 H new ATOM 0 HE ARG A 42 -7.852 4.934 1.161 1.00 42.40 H new ATOM 0 HH11 ARG A 42 -9.225 6.822 -1.440 1.00 15.45 H new ATOM 0 HH12 ARG A 42 -9.559 8.206 -0.395 1.00 15.45 H new ATOM 0 HH21 ARG A 42 -8.248 6.718 2.441 1.00 55.21 H new ATOM 0 HH22 ARG A 42 -9.019 8.149 1.750 1.00 55.21 H new ATOM 700 N GLU A 43 -5.270 7.134 -3.864 1.00 23.34 N ATOM 701 CA GLU A 43 -5.035 8.524 -3.463 1.00 62.34 C ATOM 702 C GLU A 43 -6.295 9.105 -2.809 1.00 11.02 C ATOM 703 O GLU A 43 -7.417 8.755 -3.181 1.00 75.13 O ATOM 704 CB GLU A 43 -4.629 9.382 -4.674 1.00 43.41 C ATOM 705 CG GLU A 43 -4.249 10.819 -4.309 1.00 35.54 C ATOM 706 CD GLU A 43 -3.957 11.692 -5.521 1.00 33.21 C ATOM 707 OE1 GLU A 43 -4.897 12.316 -6.051 1.00 12.44 O ATOM 708 OE2 GLU A 43 -2.782 11.772 -5.937 1.00 62.32 O ATOM 0 H GLU A 43 -5.899 7.024 -4.660 1.00 23.34 H new ATOM 0 HA GLU A 43 -4.218 8.538 -2.741 1.00 62.34 H new ATOM 0 HB2 GLU A 43 -3.786 8.909 -5.177 1.00 43.41 H new ATOM 0 HB3 GLU A 43 -5.454 9.403 -5.386 1.00 43.41 H new ATOM 0 HG2 GLU A 43 -5.060 11.267 -3.734 1.00 35.54 H new ATOM 0 HG3 GLU A 43 -3.372 10.802 -3.662 1.00 35.54 H new ATOM 715 N SER A 44 -6.118 9.971 -1.819 1.00 62.54 N ATOM 716 CA SER A 44 -7.253 10.649 -1.183 1.00 54.41 C ATOM 717 C SER A 44 -7.920 11.628 -2.160 1.00 63.32 C ATOM 718 O SER A 44 -7.308 12.611 -2.577 1.00 2.05 O ATOM 719 CB SER A 44 -6.802 11.390 0.084 1.00 4.32 C ATOM 720 OG SER A 44 -6.383 10.485 1.093 1.00 4.21 O ATOM 0 H SER A 44 -5.206 10.223 -1.437 1.00 62.54 H new ATOM 0 HA SER A 44 -7.983 9.890 -0.901 1.00 54.41 H new ATOM 0 HB2 SER A 44 -5.984 12.068 -0.161 1.00 4.32 H new ATOM 0 HB3 SER A 44 -7.622 12.002 0.460 1.00 4.32 H new ATOM 0 HG SER A 44 -5.929 10.979 1.808 1.00 4.21 H new ATOM 794 N GLU A 50 -1.665 12.712 -1.243 1.00 52.53 N ATOM 795 CA GLU A 50 -1.803 11.835 -0.075 1.00 33.34 C ATOM 796 C GLU A 50 -2.293 10.443 -0.500 1.00 44.03 C ATOM 797 O GLU A 50 -3.464 10.258 -0.835 1.00 25.33 O ATOM 798 CB GLU A 50 -2.768 12.455 0.948 1.00 53.14 C ATOM 799 CG GLU A 50 -2.983 11.609 2.204 1.00 75.42 C ATOM 800 CD GLU A 50 -3.874 12.296 3.231 1.00 45.52 C ATOM 801 OE1 GLU A 50 -5.098 12.383 3.002 1.00 42.40 O ATOM 802 OE2 GLU A 50 -3.355 12.758 4.270 1.00 31.12 O ATOM 0 HA GLU A 50 -0.824 11.726 0.392 1.00 33.34 H new ATOM 0 HB2 GLU A 50 -2.387 13.432 1.243 1.00 53.14 H new ATOM 0 HB3 GLU A 50 -3.732 12.621 0.467 1.00 53.14 H new ATOM 0 HG2 GLU A 50 -3.429 10.655 1.922 1.00 75.42 H new ATOM 0 HG3 GLU A 50 -2.017 11.388 2.658 1.00 75.42 H new ATOM 809 N TYR A 51 -1.384 9.473 -0.503 1.00 3.44 N ATOM 810 CA TYR A 51 -1.708 8.107 -0.934 1.00 20.33 C ATOM 811 C TYR A 51 -1.898 7.165 0.260 1.00 53.41 C ATOM 812 O TYR A 51 -1.066 7.106 1.165 1.00 51.10 O ATOM 813 CB TYR A 51 -0.610 7.576 -1.866 1.00 12.11 C ATOM 814 CG TYR A 51 -0.546 8.311 -3.190 1.00 31.13 C ATOM 815 CD1 TYR A 51 0.072 9.554 -3.288 1.00 43.25 C ATOM 816 CD2 TYR A 51 -1.118 7.772 -4.337 1.00 43.21 C ATOM 817 CE1 TYR A 51 0.120 10.231 -4.488 1.00 13.34 C ATOM 818 CE2 TYR A 51 -1.077 8.448 -5.540 1.00 53.42 C ATOM 819 CZ TYR A 51 -0.458 9.676 -5.611 1.00 70.24 C ATOM 820 OH TYR A 51 -0.422 10.356 -6.806 1.00 33.53 O ATOM 0 H TYR A 51 -0.415 9.602 -0.212 1.00 3.44 H new ATOM 0 HA TYR A 51 -2.653 8.142 -1.476 1.00 20.33 H new ATOM 0 HB2 TYR A 51 0.354 7.658 -1.365 1.00 12.11 H new ATOM 0 HB3 TYR A 51 -0.782 6.516 -2.054 1.00 12.11 H new ATOM 0 HD1 TYR A 51 0.521 9.995 -2.410 1.00 43.25 H new ATOM 0 HD2 TYR A 51 -1.603 6.808 -4.286 1.00 43.21 H new ATOM 0 HE1 TYR A 51 0.608 11.192 -4.549 1.00 13.34 H new ATOM 0 HE2 TYR A 51 -1.528 8.016 -6.421 1.00 53.42 H new ATOM 0 HH TYR A 51 -1.169 10.989 -6.845 1.00 33.53 H new ATOM 830 N VAL A 52 -3.004 6.425 0.252 1.00 34.32 N ATOM 831 CA VAL A 52 -3.328 5.489 1.331 1.00 44.10 C ATOM 832 C VAL A 52 -3.266 4.029 0.850 1.00 22.23 C ATOM 833 O VAL A 52 -3.929 3.651 -0.118 1.00 30.00 O ATOM 834 CB VAL A 52 -4.740 5.767 1.908 1.00 22.44 C ATOM 835 CG1 VAL A 52 -5.037 4.848 3.094 1.00 51.53 C ATOM 836 CG2 VAL A 52 -4.886 7.238 2.304 1.00 43.12 C ATOM 0 H VAL A 52 -3.698 6.455 -0.495 1.00 34.32 H new ATOM 0 HA VAL A 52 -2.581 5.639 2.110 1.00 44.10 H new ATOM 0 HB VAL A 52 -5.471 5.554 1.128 1.00 22.44 H new ATOM 0 HG11 VAL A 52 -6.033 5.063 3.480 1.00 51.53 H new ATOM 0 HG12 VAL A 52 -4.990 3.808 2.769 1.00 51.53 H new ATOM 0 HG13 VAL A 52 -4.299 5.017 3.879 1.00 51.53 H new ATOM 0 HG21 VAL A 52 -5.885 7.409 2.706 1.00 43.12 H new ATOM 0 HG22 VAL A 52 -4.142 7.486 3.061 1.00 43.12 H new ATOM 0 HG23 VAL A 52 -4.735 7.868 1.427 1.00 43.12 H new ATOM 846 N LEU A 53 -2.480 3.216 1.546 1.00 14.53 N ATOM 847 CA LEU A 53 -2.381 1.782 1.256 1.00 20.31 C ATOM 848 C LEU A 53 -3.474 1.006 2.008 1.00 11.25 C ATOM 849 O LEU A 53 -3.748 1.276 3.177 1.00 31.41 O ATOM 850 CB LEU A 53 -0.989 1.264 1.668 1.00 52.24 C ATOM 851 CG LEU A 53 -0.758 -0.251 1.513 1.00 3.12 C ATOM 852 CD1 LEU A 53 -0.821 -0.671 0.048 1.00 21.04 C ATOM 853 CD2 LEU A 53 0.576 -0.659 2.138 1.00 73.20 C ATOM 0 H LEU A 53 -1.895 3.525 2.323 1.00 14.53 H new ATOM 0 HA LEU A 53 -2.521 1.628 0.186 1.00 20.31 H new ATOM 0 HB2 LEU A 53 -0.239 1.788 1.076 1.00 52.24 H new ATOM 0 HB3 LEU A 53 -0.817 1.533 2.710 1.00 52.24 H new ATOM 0 HG LEU A 53 -1.558 -0.769 2.042 1.00 3.12 H new ATOM 0 HD11 LEU A 53 -0.654 -1.745 -0.030 1.00 21.04 H new ATOM 0 HD12 LEU A 53 -1.802 -0.425 -0.359 1.00 21.04 H new ATOM 0 HD13 LEU A 53 -0.052 -0.143 -0.515 1.00 21.04 H new ATOM 0 HD21 LEU A 53 0.721 -1.733 2.018 1.00 73.20 H new ATOM 0 HD22 LEU A 53 1.388 -0.126 1.643 1.00 73.20 H new ATOM 0 HD23 LEU A 53 0.572 -0.410 3.199 1.00 73.20 H new ATOM 865 N SER A 54 -4.111 0.058 1.331 1.00 34.53 N ATOM 866 CA SER A 54 -5.154 -0.769 1.956 1.00 23.22 C ATOM 867 C SER A 54 -4.899 -2.257 1.707 1.00 10.23 C ATOM 868 O SER A 54 -4.753 -2.684 0.566 1.00 0.51 O ATOM 869 CB SER A 54 -6.540 -0.376 1.432 1.00 3.41 C ATOM 870 OG SER A 54 -6.847 0.973 1.765 1.00 32.50 O ATOM 0 H SER A 54 -3.929 -0.162 0.352 1.00 34.53 H new ATOM 0 HA SER A 54 -5.121 -0.591 3.031 1.00 23.22 H new ATOM 0 HB2 SER A 54 -6.573 -0.504 0.350 1.00 3.41 H new ATOM 0 HB3 SER A 54 -7.294 -1.040 1.855 1.00 3.41 H new ATOM 0 HG SER A 54 -7.052 1.035 2.721 1.00 32.50 H new ATOM 876 N VAL A 55 -4.851 -3.037 2.785 1.00 71.34 N ATOM 877 CA VAL A 55 -4.541 -4.469 2.699 1.00 22.32 C ATOM 878 C VAL A 55 -5.379 -5.294 3.693 1.00 34.31 C ATOM 879 O VAL A 55 -5.573 -4.894 4.842 1.00 20.32 O ATOM 880 CB VAL A 55 -3.029 -4.720 2.956 1.00 73.14 C ATOM 881 CG1 VAL A 55 -2.589 -4.093 4.278 1.00 23.23 C ATOM 882 CG2 VAL A 55 -2.699 -6.216 2.916 1.00 52.15 C ATOM 0 H VAL A 55 -5.023 -2.703 3.733 1.00 71.34 H new ATOM 0 HA VAL A 55 -4.794 -4.792 1.689 1.00 22.32 H new ATOM 0 HB VAL A 55 -2.470 -4.239 2.154 1.00 73.14 H new ATOM 0 HG11 VAL A 55 -1.527 -4.283 4.435 1.00 23.23 H new ATOM 0 HG12 VAL A 55 -2.765 -3.018 4.247 1.00 23.23 H new ATOM 0 HG13 VAL A 55 -3.161 -4.531 5.096 1.00 23.23 H new ATOM 0 HG21 VAL A 55 -1.634 -6.359 3.099 1.00 52.15 H new ATOM 0 HG22 VAL A 55 -3.272 -6.736 3.684 1.00 52.15 H new ATOM 0 HG23 VAL A 55 -2.956 -6.619 1.936 1.00 52.15 H new ATOM 892 N TYR A 56 -5.884 -6.442 3.248 1.00 25.12 N ATOM 893 CA TYR A 56 -6.684 -7.315 4.115 1.00 21.11 C ATOM 894 C TYR A 56 -5.775 -8.167 5.015 1.00 50.02 C ATOM 895 O TYR A 56 -5.082 -9.069 4.542 1.00 50.43 O ATOM 896 CB TYR A 56 -7.597 -8.219 3.275 1.00 43.33 C ATOM 897 CG TYR A 56 -8.757 -8.810 4.060 1.00 13.24 C ATOM 898 CD1 TYR A 56 -8.637 -10.028 4.720 1.00 34.25 C ATOM 899 CD2 TYR A 56 -9.973 -8.141 4.142 1.00 62.42 C ATOM 900 CE1 TYR A 56 -9.694 -10.560 5.436 1.00 24.44 C ATOM 901 CE2 TYR A 56 -11.031 -8.665 4.856 1.00 74.32 C ATOM 902 CZ TYR A 56 -10.887 -9.874 5.501 1.00 23.13 C ATOM 903 OH TYR A 56 -11.946 -10.399 6.214 1.00 41.00 O ATOM 0 H TYR A 56 -5.757 -6.791 2.298 1.00 25.12 H new ATOM 0 HA TYR A 56 -7.307 -6.685 4.750 1.00 21.11 H new ATOM 0 HB2 TYR A 56 -7.992 -7.645 2.437 1.00 43.33 H new ATOM 0 HB3 TYR A 56 -7.003 -9.030 2.854 1.00 43.33 H new ATOM 0 HD1 TYR A 56 -7.703 -10.568 4.673 1.00 34.25 H new ATOM 0 HD2 TYR A 56 -10.092 -7.194 3.637 1.00 62.42 H new ATOM 0 HE1 TYR A 56 -9.585 -11.508 5.941 1.00 24.44 H new ATOM 0 HE2 TYR A 56 -11.968 -8.130 4.909 1.00 74.32 H new ATOM 0 HH TYR A 56 -11.892 -10.101 7.146 1.00 41.00 H new ATOM 913 N SER A 57 -5.778 -7.866 6.309 1.00 52.01 N ATOM 914 CA SER A 57 -4.902 -8.545 7.272 1.00 33.32 C ATOM 915 C SER A 57 -5.573 -8.687 8.642 1.00 73.35 C ATOM 916 O SER A 57 -6.317 -7.802 9.071 1.00 24.42 O ATOM 917 CB SER A 57 -3.580 -7.787 7.427 1.00 34.32 C ATOM 918 OG SER A 57 -2.689 -8.474 8.293 1.00 63.04 O ATOM 0 H SER A 57 -6.379 -7.153 6.722 1.00 52.01 H new ATOM 0 HA SER A 57 -4.704 -9.543 6.880 1.00 33.32 H new ATOM 0 HB2 SER A 57 -3.115 -7.660 6.450 1.00 34.32 H new ATOM 0 HB3 SER A 57 -3.775 -6.789 7.820 1.00 34.32 H new ATOM 0 HG SER A 57 -2.931 -8.290 9.225 1.00 63.04 H new ATOM 924 N ASP A 58 -5.329 -9.822 9.306 1.00 13.24 N ATOM 925 CA ASP A 58 -5.867 -10.093 10.654 1.00 45.44 C ATOM 926 C ASP A 58 -7.395 -10.278 10.636 1.00 51.55 C ATOM 927 O ASP A 58 -8.053 -10.220 11.679 1.00 3.25 O ATOM 928 CB ASP A 58 -5.486 -8.963 11.620 1.00 1.54 C ATOM 929 CG ASP A 58 -3.987 -8.747 11.692 1.00 71.11 C ATOM 930 OD1 ASP A 58 -3.312 -9.498 12.425 1.00 23.24 O ATOM 931 OD2 ASP A 58 -3.478 -7.819 11.028 1.00 15.54 O ATOM 0 H ASP A 58 -4.757 -10.578 8.931 1.00 13.24 H new ATOM 0 HA ASP A 58 -5.423 -11.027 10.999 1.00 45.44 H new ATOM 0 HB2 ASP A 58 -5.969 -8.039 11.303 1.00 1.54 H new ATOM 0 HB3 ASP A 58 -5.865 -9.196 12.615 1.00 1.54 H new ATOM 936 N GLY A 59 -7.948 -10.524 9.450 1.00 25.21 N ATOM 937 CA GLY A 59 -9.394 -10.630 9.290 1.00 52.13 C ATOM 938 C GLY A 59 -10.054 -9.285 8.998 1.00 31.31 C ATOM 939 O GLY A 59 -11.236 -9.224 8.660 1.00 43.33 O ATOM 0 H GLY A 59 -7.417 -10.653 8.589 1.00 25.21 H new ATOM 0 HA2 GLY A 59 -9.616 -11.323 8.478 1.00 52.13 H new ATOM 0 HA3 GLY A 59 -9.826 -11.053 10.197 1.00 52.13 H new ATOM 943 N GLN A 60 -9.279 -8.209 9.114 1.00 12.41 N ATOM 944 CA GLN A 60 -9.783 -6.845 8.902 1.00 73.42 C ATOM 945 C GLN A 60 -9.143 -6.190 7.670 1.00 65.33 C ATOM 946 O GLN A 60 -8.206 -6.726 7.077 1.00 40.13 O ATOM 947 CB GLN A 60 -9.488 -5.993 10.144 1.00 11.31 C ATOM 948 CG GLN A 60 -10.188 -6.479 11.409 1.00 14.54 C ATOM 949 CD GLN A 60 -9.851 -5.636 12.626 1.00 73.40 C ATOM 950 OE1 GLN A 60 -8.889 -5.904 13.337 1.00 10.20 O ATOM 951 NE2 GLN A 60 -10.637 -4.608 12.880 1.00 24.04 N ATOM 0 H GLN A 60 -8.289 -8.252 9.356 1.00 12.41 H new ATOM 0 HA GLN A 60 -10.858 -6.906 8.732 1.00 73.42 H new ATOM 0 HB2 GLN A 60 -8.412 -5.982 10.318 1.00 11.31 H new ATOM 0 HB3 GLN A 60 -9.789 -4.964 9.946 1.00 11.31 H new ATOM 0 HG2 GLN A 60 -11.266 -6.466 11.250 1.00 14.54 H new ATOM 0 HG3 GLN A 60 -9.906 -7.515 11.600 1.00 14.54 H new ATOM 0 HE21 GLN A 60 -11.430 -4.410 12.270 1.00 24.04 H new ATOM 0 HE22 GLN A 60 -10.452 -4.011 13.686 1.00 24.04 H new ATOM 960 N ARG A 61 -9.660 -5.025 7.283 1.00 31.50 N ATOM 961 CA ARG A 61 -9.042 -4.223 6.223 1.00 21.32 C ATOM 962 C ARG A 61 -8.093 -3.179 6.834 1.00 53.42 C ATOM 963 O ARG A 61 -8.538 -2.172 7.392 1.00 73.44 O ATOM 964 CB ARG A 61 -10.104 -3.512 5.357 1.00 52.02 C ATOM 965 CG ARG A 61 -11.026 -4.437 4.557 1.00 5.22 C ATOM 966 CD ARG A 61 -12.113 -5.074 5.415 1.00 64.41 C ATOM 967 NE ARG A 61 -13.131 -5.741 4.602 1.00 24.03 N ATOM 968 CZ ARG A 61 -14.415 -5.708 4.862 1.00 34.44 C ATOM 969 NH1 ARG A 61 -14.862 -5.065 5.892 1.00 23.34 N ATOM 970 NH2 ARG A 61 -15.253 -6.306 4.084 1.00 62.32 N ATOM 0 H ARG A 61 -10.503 -4.614 7.685 1.00 31.50 H new ATOM 0 HA ARG A 61 -8.478 -4.901 5.582 1.00 21.32 H new ATOM 0 HB2 ARG A 61 -10.718 -2.887 6.006 1.00 52.02 H new ATOM 0 HB3 ARG A 61 -9.594 -2.845 4.662 1.00 52.02 H new ATOM 0 HG2 ARG A 61 -11.492 -3.870 3.751 1.00 5.22 H new ATOM 0 HG3 ARG A 61 -10.430 -5.222 4.091 1.00 5.22 H new ATOM 0 HD2 ARG A 61 -11.662 -5.796 6.095 1.00 64.41 H new ATOM 0 HD3 ARG A 61 -12.585 -4.308 6.030 1.00 64.41 H new ATOM 0 HE ARG A 61 -12.822 -6.264 3.782 1.00 24.03 H new ATOM 0 HH11 ARG A 61 -14.213 -4.578 6.510 1.00 23.34 H new ATOM 0 HH12 ARG A 61 -15.863 -5.045 6.086 1.00 23.34 H new ATOM 0 HH21 ARG A 61 -14.917 -6.808 3.262 1.00 62.32 H new ATOM 0 HH22 ARG A 61 -16.251 -6.277 4.291 1.00 62.32 H new ATOM 984 N ARG A 62 -6.792 -3.431 6.743 1.00 72.32 N ATOM 985 CA ARG A 62 -5.776 -2.504 7.254 1.00 70.45 C ATOM 986 C ARG A 62 -5.593 -1.300 6.312 1.00 72.23 C ATOM 987 O ARG A 62 -5.757 -1.419 5.095 1.00 1.03 O ATOM 988 CB ARG A 62 -4.437 -3.235 7.414 1.00 25.14 C ATOM 989 CG ARG A 62 -4.449 -4.369 8.442 1.00 51.20 C ATOM 990 CD ARG A 62 -4.415 -3.855 9.880 1.00 5.52 C ATOM 991 NE ARG A 62 -4.113 -4.929 10.827 1.00 71.43 N ATOM 992 CZ ARG A 62 -3.985 -4.768 12.117 1.00 72.35 C ATOM 993 NH1 ARG A 62 -4.168 -3.615 12.674 1.00 3.34 N ATOM 994 NH2 ARG A 62 -3.665 -5.779 12.850 1.00 62.41 N ATOM 0 H ARG A 62 -6.409 -4.275 6.317 1.00 72.32 H new ATOM 0 HA ARG A 62 -6.115 -2.135 8.222 1.00 70.45 H new ATOM 0 HB2 ARG A 62 -4.143 -3.642 6.447 1.00 25.14 H new ATOM 0 HB3 ARG A 62 -3.675 -2.511 7.700 1.00 25.14 H new ATOM 0 HG2 ARG A 62 -5.342 -4.976 8.298 1.00 51.20 H new ATOM 0 HG3 ARG A 62 -3.591 -5.019 8.271 1.00 51.20 H new ATOM 0 HD2 ARG A 62 -3.665 -3.069 9.969 1.00 5.52 H new ATOM 0 HD3 ARG A 62 -5.377 -3.408 10.130 1.00 5.52 H new ATOM 0 HE ARG A 62 -3.994 -5.871 10.453 1.00 71.43 H new ATOM 0 HH11 ARG A 62 -4.418 -2.807 12.104 1.00 3.34 H new ATOM 0 HH12 ARG A 62 -4.062 -3.514 13.683 1.00 3.34 H new ATOM 0 HH21 ARG A 62 -3.515 -6.692 12.422 1.00 62.41 H new ATOM 0 HH22 ARG A 62 -3.562 -5.666 13.858 1.00 62.41 H new ATOM 1008 N HIS A 63 -5.254 -0.145 6.882 1.00 61.32 N ATOM 1009 CA HIS A 63 -5.035 1.075 6.096 1.00 73.21 C ATOM 1010 C HIS A 63 -3.794 1.839 6.587 1.00 15.23 C ATOM 1011 O HIS A 63 -3.744 2.305 7.728 1.00 35.44 O ATOM 1012 CB HIS A 63 -6.264 1.993 6.170 1.00 11.21 C ATOM 1013 CG HIS A 63 -7.535 1.340 5.716 1.00 34.04 C ATOM 1014 ND1 HIS A 63 -7.766 0.961 4.410 1.00 60.10 N ATOM 1015 CD2 HIS A 63 -8.650 0.994 6.403 1.00 42.44 C ATOM 1016 CE1 HIS A 63 -8.960 0.414 4.316 1.00 1.32 C ATOM 1017 NE2 HIS A 63 -9.517 0.420 5.508 1.00 42.14 N ATOM 0 H HIS A 63 -5.124 -0.025 7.887 1.00 61.32 H new ATOM 0 HA HIS A 63 -4.872 0.773 5.061 1.00 73.21 H new ATOM 0 HB2 HIS A 63 -6.389 2.335 7.197 1.00 11.21 H new ATOM 0 HB3 HIS A 63 -6.083 2.877 5.559 1.00 11.21 H new ATOM 0 HD2 HIS A 63 -8.824 1.142 7.459 1.00 42.44 H new ATOM 0 HE1 HIS A 63 -9.407 0.026 3.413 1.00 1.32 H new ATOM 0 HE2 HIS A 63 -10.444 0.057 5.731 1.00 42.14 H new ATOM 1026 N PHE A 64 -2.803 1.982 5.709 1.00 72.34 N ATOM 1027 CA PHE A 64 -1.554 2.680 6.042 1.00 75.11 C ATOM 1028 C PHE A 64 -1.308 3.858 5.087 1.00 40.02 C ATOM 1029 O PHE A 64 -1.080 3.662 3.894 1.00 3.53 O ATOM 1030 CB PHE A 64 -0.366 1.706 5.973 1.00 34.23 C ATOM 1031 CG PHE A 64 -0.526 0.484 6.847 1.00 10.13 C ATOM 1032 CD1 PHE A 64 -0.341 0.565 8.221 1.00 34.43 C ATOM 1033 CD2 PHE A 64 -0.866 -0.745 6.295 1.00 34.02 C ATOM 1034 CE1 PHE A 64 -0.492 -0.553 9.022 1.00 12.45 C ATOM 1035 CE2 PHE A 64 -1.018 -1.862 7.091 1.00 11.14 C ATOM 1036 CZ PHE A 64 -0.831 -1.768 8.456 1.00 4.33 C ATOM 0 H PHE A 64 -2.838 1.623 4.755 1.00 72.34 H new ATOM 0 HA PHE A 64 -1.648 3.068 7.056 1.00 75.11 H new ATOM 0 HB2 PHE A 64 -0.230 1.387 4.940 1.00 34.23 H new ATOM 0 HB3 PHE A 64 0.542 2.234 6.266 1.00 34.23 H new ATOM 0 HD1 PHE A 64 -0.076 1.511 8.669 1.00 34.43 H new ATOM 0 HD2 PHE A 64 -1.013 -0.827 5.228 1.00 34.02 H new ATOM 0 HE1 PHE A 64 -0.345 -0.477 10.089 1.00 12.45 H new ATOM 0 HE2 PHE A 64 -1.283 -2.810 6.646 1.00 11.14 H new ATOM 0 HZ PHE A 64 -0.949 -2.642 9.080 1.00 4.33 H new ATOM 1046 N ILE A 65 -1.365 5.082 5.607 1.00 25.52 N ATOM 1047 CA ILE A 65 -1.101 6.275 4.796 1.00 72.25 C ATOM 1048 C ILE A 65 0.408 6.463 4.592 1.00 40.34 C ATOM 1049 O ILE A 65 1.195 6.251 5.512 1.00 24.43 O ATOM 1050 CB ILE A 65 -1.692 7.548 5.457 1.00 45.41 C ATOM 1051 CG1 ILE A 65 -3.197 7.362 5.733 1.00 14.22 C ATOM 1052 CG2 ILE A 65 -1.452 8.774 4.574 1.00 12.44 C ATOM 1053 CD1 ILE A 65 -3.852 8.552 6.409 1.00 3.22 C ATOM 0 H ILE A 65 -1.591 5.277 6.583 1.00 25.52 H new ATOM 0 HA ILE A 65 -1.583 6.127 3.830 1.00 72.25 H new ATOM 0 HB ILE A 65 -1.186 7.709 6.409 1.00 45.41 H new ATOM 0 HG12 ILE A 65 -3.707 7.167 4.790 1.00 14.22 H new ATOM 0 HG13 ILE A 65 -3.335 6.480 6.359 1.00 14.22 H new ATOM 0 HG21 ILE A 65 -1.874 9.657 5.055 1.00 12.44 H new ATOM 0 HG22 ILE A 65 -0.381 8.915 4.431 1.00 12.44 H new ATOM 0 HG23 ILE A 65 -1.930 8.625 3.606 1.00 12.44 H new ATOM 0 HD11 ILE A 65 -4.910 8.343 6.569 1.00 3.22 H new ATOM 0 HD12 ILE A 65 -3.370 8.736 7.369 1.00 3.22 H new ATOM 0 HD13 ILE A 65 -3.748 9.433 5.776 1.00 3.22 H new ATOM 1065 N ILE A 66 0.807 6.843 3.383 1.00 51.31 N ATOM 1066 CA ILE A 66 2.224 7.042 3.066 1.00 72.04 C ATOM 1067 C ILE A 66 2.727 8.403 3.576 1.00 40.24 C ATOM 1068 O ILE A 66 2.328 9.455 3.067 1.00 55.31 O ATOM 1069 CB ILE A 66 2.472 6.948 1.535 1.00 73.55 C ATOM 1070 CG1 ILE A 66 1.969 5.600 0.991 1.00 42.21 C ATOM 1071 CG2 ILE A 66 3.957 7.138 1.218 1.00 72.33 C ATOM 1072 CD1 ILE A 66 2.183 5.416 -0.498 1.00 13.14 C ATOM 0 H ILE A 66 0.173 7.020 2.604 1.00 51.31 H new ATOM 0 HA ILE A 66 2.777 6.249 3.570 1.00 72.04 H new ATOM 0 HB ILE A 66 1.914 7.746 1.045 1.00 73.55 H new ATOM 0 HG12 ILE A 66 2.475 4.794 1.522 1.00 42.21 H new ATOM 0 HG13 ILE A 66 0.905 5.507 1.209 1.00 42.21 H new ATOM 0 HG21 ILE A 66 4.111 7.069 0.141 1.00 72.33 H new ATOM 0 HG22 ILE A 66 4.281 8.118 1.569 1.00 72.33 H new ATOM 0 HG23 ILE A 66 4.538 6.363 1.718 1.00 72.33 H new ATOM 0 HD11 ILE A 66 1.802 4.441 -0.803 1.00 13.14 H new ATOM 0 HD12 ILE A 66 1.654 6.199 -1.041 1.00 13.14 H new ATOM 0 HD13 ILE A 66 3.248 5.475 -0.723 1.00 13.14 H new ATOM 1084 N GLN A 67 3.604 8.379 4.580 1.00 5.54 N ATOM 1085 CA GLN A 67 4.186 9.610 5.129 1.00 72.11 C ATOM 1086 C GLN A 67 5.170 10.246 4.139 1.00 23.22 C ATOM 1087 O GLN A 67 6.194 9.653 3.787 1.00 72.05 O ATOM 1088 CB GLN A 67 4.901 9.337 6.467 1.00 60.42 C ATOM 1089 CG GLN A 67 3.966 9.098 7.652 1.00 44.34 C ATOM 1090 CD GLN A 67 3.170 7.808 7.545 1.00 44.24 C ATOM 1091 OE1 GLN A 67 3.621 6.827 6.967 1.00 65.11 O ATOM 1092 NE2 GLN A 67 1.976 7.800 8.102 1.00 63.44 N ATOM 0 H GLN A 67 3.928 7.523 5.031 1.00 5.54 H new ATOM 0 HA GLN A 67 3.365 10.306 5.304 1.00 72.11 H new ATOM 0 HB2 GLN A 67 5.545 8.466 6.348 1.00 60.42 H new ATOM 0 HB3 GLN A 67 5.548 10.183 6.697 1.00 60.42 H new ATOM 0 HG2 GLN A 67 4.553 9.078 8.570 1.00 44.34 H new ATOM 0 HG3 GLN A 67 3.275 9.937 7.734 1.00 44.34 H new ATOM 0 HE21 GLN A 67 1.629 8.634 8.576 1.00 63.44 H new ATOM 0 HE22 GLN A 67 1.399 6.960 8.059 1.00 63.44 H new ATOM 1101 N TYR A 68 4.854 11.457 3.693 1.00 24.32 N ATOM 1102 CA TYR A 68 5.731 12.207 2.791 1.00 72.02 C ATOM 1103 C TYR A 68 6.771 12.997 3.605 1.00 31.33 C ATOM 1104 O TYR A 68 6.489 14.082 4.119 1.00 13.12 O ATOM 1105 CB TYR A 68 4.882 13.143 1.913 1.00 34.15 C ATOM 1106 CG TYR A 68 5.656 13.868 0.825 1.00 53.01 C ATOM 1107 CD1 TYR A 68 6.229 13.168 -0.234 1.00 11.21 C ATOM 1108 CD2 TYR A 68 5.794 15.250 0.845 1.00 53.21 C ATOM 1109 CE1 TYR A 68 6.917 13.826 -1.235 1.00 31.51 C ATOM 1110 CE2 TYR A 68 6.482 15.913 -0.150 1.00 44.54 C ATOM 1111 CZ TYR A 68 7.041 15.200 -1.188 1.00 41.44 C ATOM 1112 OH TYR A 68 7.729 15.862 -2.185 1.00 12.45 O ATOM 0 H TYR A 68 3.993 11.945 3.941 1.00 24.32 H new ATOM 0 HA TYR A 68 6.269 11.517 2.141 1.00 72.02 H new ATOM 0 HB2 TYR A 68 4.087 12.560 1.448 1.00 34.15 H new ATOM 0 HB3 TYR A 68 4.402 13.883 2.553 1.00 34.15 H new ATOM 0 HD1 TYR A 68 6.134 12.093 -0.273 1.00 11.21 H new ATOM 0 HD2 TYR A 68 5.355 15.815 1.654 1.00 53.21 H new ATOM 0 HE1 TYR A 68 7.355 13.269 -2.050 1.00 31.51 H new ATOM 0 HE2 TYR A 68 6.582 16.988 -0.115 1.00 44.54 H new ATOM 0 HH TYR A 68 8.507 16.316 -1.800 1.00 12.45 H new ATOM 1122 N VAL A 69 7.969 12.435 3.739 1.00 22.53 N ATOM 1123 CA VAL A 69 9.017 13.025 4.584 1.00 54.45 C ATOM 1124 C VAL A 69 10.317 13.240 3.797 1.00 63.52 C ATOM 1125 O VAL A 69 10.825 12.315 3.163 1.00 32.53 O ATOM 1126 CB VAL A 69 9.304 12.127 5.818 1.00 13.51 C ATOM 1127 CG1 VAL A 69 10.379 12.743 6.715 1.00 23.24 C ATOM 1128 CG2 VAL A 69 8.022 11.866 6.610 1.00 22.31 C ATOM 0 H VAL A 69 8.244 11.570 3.274 1.00 22.53 H new ATOM 0 HA VAL A 69 8.649 13.994 4.922 1.00 54.45 H new ATOM 0 HB VAL A 69 9.682 11.172 5.453 1.00 13.51 H new ATOM 0 HG11 VAL A 69 10.557 12.091 7.570 1.00 23.24 H new ATOM 0 HG12 VAL A 69 11.303 12.859 6.148 1.00 23.24 H new ATOM 0 HG13 VAL A 69 10.044 13.719 7.067 1.00 23.24 H new ATOM 0 HG21 VAL A 69 8.248 11.235 7.470 1.00 22.31 H new ATOM 0 HG22 VAL A 69 7.608 12.814 6.954 1.00 22.31 H new ATOM 0 HG23 VAL A 69 7.296 11.363 5.971 1.00 22.31 H new ATOM 1138 N ASP A 70 10.844 14.467 3.842 1.00 35.31 N ATOM 1139 CA ASP A 70 12.083 14.821 3.136 1.00 72.22 C ATOM 1140 C ASP A 70 11.948 14.569 1.624 1.00 74.30 C ATOM 1141 O ASP A 70 12.917 14.212 0.947 1.00 12.44 O ATOM 1142 CB ASP A 70 13.272 14.033 3.714 1.00 2.24 C ATOM 1143 CG ASP A 70 13.453 14.251 5.207 1.00 13.22 C ATOM 1144 OD1 ASP A 70 13.035 15.314 5.717 1.00 62.32 O ATOM 1145 OD2 ASP A 70 14.025 13.363 5.878 1.00 64.24 O ATOM 0 H ASP A 70 10.429 15.239 4.364 1.00 35.31 H new ATOM 0 HA ASP A 70 12.267 15.885 3.283 1.00 72.22 H new ATOM 0 HB2 ASP A 70 13.125 12.970 3.522 1.00 2.24 H new ATOM 0 HB3 ASP A 70 14.184 14.328 3.195 1.00 2.24 H new ATOM 1150 N ASN A 71 10.734 14.785 1.109 1.00 42.45 N ATOM 1151 CA ASN A 71 10.406 14.530 -0.300 1.00 12.13 C ATOM 1152 C ASN A 71 10.487 13.032 -0.654 1.00 10.02 C ATOM 1153 O ASN A 71 10.506 12.662 -1.826 1.00 21.41 O ATOM 1154 CB ASN A 71 11.308 15.357 -1.227 1.00 12.00 C ATOM 1155 CG ASN A 71 11.060 16.848 -1.087 1.00 35.42 C ATOM 1156 OD1 ASN A 71 10.212 17.414 -1.770 1.00 35.42 O ATOM 1157 ND2 ASN A 71 11.786 17.494 -0.197 1.00 5.14 N ATOM 0 H ASN A 71 9.950 15.141 1.656 1.00 42.45 H new ATOM 0 HA ASN A 71 9.372 14.841 -0.450 1.00 12.13 H new ATOM 0 HB2 ASN A 71 12.353 15.141 -1.002 1.00 12.00 H new ATOM 0 HB3 ASN A 71 11.136 15.057 -2.261 1.00 12.00 H new ATOM 0 HD21 ASN A 71 11.651 18.496 -0.059 1.00 5.14 H new ATOM 0 HD22 ASN A 71 12.482 16.992 0.354 1.00 5.14 H new ATOM 1164 N MET A 72 10.506 12.175 0.367 1.00 14.31 N ATOM 1165 CA MET A 72 10.543 10.722 0.166 1.00 44.55 C ATOM 1166 C MET A 72 9.273 10.056 0.723 1.00 4.04 C ATOM 1167 O MET A 72 8.674 10.539 1.686 1.00 40.22 O ATOM 1168 CB MET A 72 11.788 10.130 0.843 1.00 64.54 C ATOM 1169 CG MET A 72 13.101 10.742 0.366 1.00 75.41 C ATOM 1170 SD MET A 72 14.539 10.057 1.216 1.00 10.41 S ATOM 1171 CE MET A 72 14.162 10.488 2.915 1.00 2.23 C ATOM 0 H MET A 72 10.496 12.461 1.346 1.00 14.31 H new ATOM 0 HA MET A 72 10.589 10.526 -0.905 1.00 44.55 H new ATOM 0 HB2 MET A 72 11.704 10.269 1.921 1.00 64.54 H new ATOM 0 HB3 MET A 72 11.812 9.056 0.661 1.00 64.54 H new ATOM 0 HG2 MET A 72 13.205 10.577 -0.706 1.00 75.41 H new ATOM 0 HG3 MET A 72 13.072 11.820 0.521 1.00 75.41 H new ATOM 0 HE1 MET A 72 14.968 11.098 3.323 1.00 2.23 H new ATOM 0 HE2 MET A 72 13.229 11.050 2.949 1.00 2.23 H new ATOM 0 HE3 MET A 72 14.060 9.578 3.507 1.00 2.23 H new ATOM 1181 N TYR A 73 8.873 8.947 0.105 1.00 1.12 N ATOM 1182 CA TYR A 73 7.673 8.208 0.513 1.00 55.50 C ATOM 1183 C TYR A 73 8.030 7.077 1.487 1.00 44.34 C ATOM 1184 O TYR A 73 8.831 6.199 1.160 1.00 2.11 O ATOM 1185 CB TYR A 73 6.973 7.632 -0.728 1.00 1.51 C ATOM 1186 CG TYR A 73 6.634 8.681 -1.770 1.00 51.41 C ATOM 1187 CD1 TYR A 73 5.433 9.379 -1.718 1.00 62.23 C ATOM 1188 CD2 TYR A 73 7.519 8.974 -2.802 1.00 51.44 C ATOM 1189 CE1 TYR A 73 5.124 10.337 -2.666 1.00 55.25 C ATOM 1190 CE2 TYR A 73 7.217 9.930 -3.749 1.00 33.41 C ATOM 1191 CZ TYR A 73 6.019 10.607 -3.679 1.00 50.11 C ATOM 1192 OH TYR A 73 5.717 11.558 -4.629 1.00 0.10 O ATOM 0 H TYR A 73 9.365 8.535 -0.688 1.00 1.12 H new ATOM 0 HA TYR A 73 6.999 8.896 1.023 1.00 55.50 H new ATOM 0 HB2 TYR A 73 7.615 6.876 -1.180 1.00 1.51 H new ATOM 0 HB3 TYR A 73 6.057 7.129 -0.418 1.00 1.51 H new ATOM 0 HD1 TYR A 73 4.730 9.170 -0.925 1.00 62.23 H new ATOM 0 HD2 TYR A 73 8.458 8.444 -2.863 1.00 51.44 H new ATOM 0 HE1 TYR A 73 4.187 10.871 -2.613 1.00 55.25 H new ATOM 0 HE2 TYR A 73 7.917 10.147 -4.542 1.00 33.41 H new ATOM 0 HH TYR A 73 6.455 11.626 -5.270 1.00 0.10 H new ATOM 1202 N ARG A 74 7.434 7.097 2.680 1.00 41.25 N ATOM 1203 CA ARG A 74 7.749 6.109 3.721 1.00 41.15 C ATOM 1204 C ARG A 74 6.518 5.752 4.569 1.00 73.42 C ATOM 1205 O ARG A 74 5.470 6.386 4.465 1.00 54.32 O ATOM 1206 CB ARG A 74 8.852 6.661 4.636 1.00 22.14 C ATOM 1207 CG ARG A 74 8.450 7.930 5.383 1.00 71.51 C ATOM 1208 CD ARG A 74 9.581 8.474 6.245 1.00 74.22 C ATOM 1209 NE ARG A 74 10.060 7.492 7.217 1.00 33.00 N ATOM 1210 CZ ARG A 74 9.584 7.355 8.427 1.00 73.03 C ATOM 1211 NH1 ARG A 74 8.601 8.091 8.840 1.00 12.12 N ATOM 1212 NH2 ARG A 74 10.104 6.476 9.220 1.00 53.21 N ATOM 0 H ARG A 74 6.731 7.784 2.952 1.00 41.25 H new ATOM 0 HA ARG A 74 8.087 5.201 3.222 1.00 41.15 H new ATOM 0 HB2 ARG A 74 9.128 5.895 5.361 1.00 22.14 H new ATOM 0 HB3 ARG A 74 9.739 6.868 4.037 1.00 22.14 H new ATOM 0 HG2 ARG A 74 8.145 8.691 4.665 1.00 71.51 H new ATOM 0 HG3 ARG A 74 7.585 7.720 6.012 1.00 71.51 H new ATOM 0 HD2 ARG A 74 10.408 8.781 5.604 1.00 74.22 H new ATOM 0 HD3 ARG A 74 9.238 9.365 6.771 1.00 74.22 H new ATOM 0 HE ARG A 74 10.817 6.871 6.931 1.00 33.00 H new ATOM 0 HH11 ARG A 74 8.189 8.787 8.219 1.00 12.12 H new ATOM 0 HH12 ARG A 74 8.239 7.974 9.786 1.00 12.12 H new ATOM 0 HH21 ARG A 74 10.880 5.896 8.900 1.00 53.21 H new ATOM 0 HH22 ARG A 74 9.739 6.363 10.166 1.00 53.21 H new ATOM 1226 N PHE A 75 6.661 4.718 5.401 1.00 74.23 N ATOM 1227 CA PHE A 75 5.633 4.363 6.387 1.00 2.52 C ATOM 1228 C PHE A 75 6.186 4.485 7.821 1.00 10.54 C ATOM 1229 O PHE A 75 6.083 5.537 8.450 1.00 14.53 O ATOM 1230 CB PHE A 75 5.107 2.936 6.143 1.00 71.32 C ATOM 1231 CG PHE A 75 4.338 2.766 4.857 1.00 2.32 C ATOM 1232 CD1 PHE A 75 3.027 3.215 4.756 1.00 24.54 C ATOM 1233 CD2 PHE A 75 4.912 2.143 3.758 1.00 72.04 C ATOM 1234 CE1 PHE A 75 2.309 3.047 3.587 1.00 71.14 C ATOM 1235 CE2 PHE A 75 4.199 1.973 2.587 1.00 30.42 C ATOM 1236 CZ PHE A 75 2.896 2.425 2.502 1.00 13.30 C ATOM 0 H PHE A 75 7.480 4.110 5.413 1.00 74.23 H new ATOM 0 HA PHE A 75 4.805 5.062 6.272 1.00 2.52 H new ATOM 0 HB2 PHE A 75 5.951 2.246 6.141 1.00 71.32 H new ATOM 0 HB3 PHE A 75 4.465 2.651 6.976 1.00 71.32 H new ATOM 0 HD1 PHE A 75 2.563 3.701 5.601 1.00 24.54 H new ATOM 0 HD2 PHE A 75 5.930 1.786 3.819 1.00 72.04 H new ATOM 0 HE1 PHE A 75 1.291 3.401 3.522 1.00 71.14 H new ATOM 0 HE2 PHE A 75 4.659 1.488 1.739 1.00 30.42 H new ATOM 0 HZ PHE A 75 2.337 2.292 1.588 1.00 13.30 H new ATOM 1246 N GLU A 76 6.795 3.408 8.325 1.00 13.41 N ATOM 1247 CA GLU A 76 7.369 3.404 9.677 1.00 22.31 C ATOM 1248 C GLU A 76 8.911 3.428 9.641 1.00 42.14 C ATOM 1249 O GLU A 76 9.563 3.701 10.652 1.00 21.32 O ATOM 1250 CB GLU A 76 6.891 2.160 10.446 1.00 13.11 C ATOM 1251 CG GLU A 76 7.161 2.220 11.947 1.00 53.44 C ATOM 1252 CD GLU A 76 6.934 0.890 12.651 1.00 4.51 C ATOM 1253 OE1 GLU A 76 5.812 0.349 12.579 1.00 55.14 O ATOM 1254 OE2 GLU A 76 7.883 0.387 13.296 1.00 24.51 O ATOM 0 H GLU A 76 6.904 2.529 7.820 1.00 13.41 H new ATOM 0 HA GLU A 76 7.028 4.307 10.184 1.00 22.31 H new ATOM 0 HB2 GLU A 76 5.821 2.034 10.284 1.00 13.11 H new ATOM 0 HB3 GLU A 76 7.382 1.279 10.033 1.00 13.11 H new ATOM 0 HG2 GLU A 76 8.190 2.540 12.112 1.00 53.44 H new ATOM 0 HG3 GLU A 76 6.516 2.976 12.396 1.00 53.44 H new ATOM 1261 N GLY A 77 9.494 3.146 8.472 1.00 61.22 N ATOM 1262 CA GLY A 77 10.950 3.055 8.360 1.00 52.32 C ATOM 1263 C GLY A 77 11.524 3.750 7.126 1.00 1.24 C ATOM 1264 O GLY A 77 11.396 4.967 6.976 1.00 32.22 O ATOM 0 H GLY A 77 8.988 2.979 7.602 1.00 61.22 H new ATOM 0 HA2 GLY A 77 11.400 3.491 9.252 1.00 52.32 H new ATOM 0 HA3 GLY A 77 11.237 2.004 8.339 1.00 52.32 H new ATOM 1268 N THR A 78 12.155 2.967 6.245 1.00 64.35 N ATOM 1269 CA THR A 78 12.853 3.494 5.056 1.00 53.52 C ATOM 1270 C THR A 78 11.929 4.305 4.128 1.00 24.34 C ATOM 1271 O THR A 78 10.758 3.962 3.941 1.00 30.44 O ATOM 1272 CB THR A 78 13.480 2.342 4.228 1.00 23.24 C ATOM 1273 OG1 THR A 78 14.218 1.455 5.087 1.00 34.33 O ATOM 1274 CG2 THR A 78 14.407 2.878 3.139 1.00 62.23 C ATOM 0 H THR A 78 12.199 1.952 6.331 1.00 64.35 H new ATOM 0 HA THR A 78 13.628 4.158 5.439 1.00 53.52 H new ATOM 0 HB THR A 78 12.664 1.798 3.752 1.00 23.24 H new ATOM 0 HG1 THR A 78 14.607 0.731 4.553 1.00 34.33 H new ATOM 0 HG21 THR A 78 14.829 2.044 2.578 1.00 62.23 H new ATOM 0 HG22 THR A 78 13.842 3.521 2.464 1.00 62.23 H new ATOM 0 HG23 THR A 78 15.212 3.452 3.597 1.00 62.23 H new ATOM 1282 N GLY A 79 12.471 5.374 3.540 1.00 42.35 N ATOM 1283 CA GLY A 79 11.720 6.176 2.576 1.00 30.11 C ATOM 1284 C GLY A 79 12.331 6.134 1.177 1.00 41.15 C ATOM 1285 O GLY A 79 13.534 6.332 1.014 1.00 43.24 O ATOM 0 H GLY A 79 13.421 5.701 3.714 1.00 42.35 H new ATOM 0 HA2 GLY A 79 10.692 5.815 2.531 1.00 30.11 H new ATOM 0 HA3 GLY A 79 11.680 7.209 2.921 1.00 30.11 H new ATOM 1289 N PHE A 80 11.509 5.871 0.162 1.00 42.10 N ATOM 1290 CA PHE A 80 11.984 5.775 -1.227 1.00 4.40 C ATOM 1291 C PHE A 80 11.576 6.999 -2.057 1.00 63.12 C ATOM 1292 O PHE A 80 10.644 7.724 -1.708 1.00 1.33 O ATOM 1293 CB PHE A 80 11.453 4.492 -1.884 1.00 3.21 C ATOM 1294 CG PHE A 80 12.097 3.236 -1.351 1.00 65.33 C ATOM 1295 CD1 PHE A 80 11.771 2.749 -0.094 1.00 2.41 C ATOM 1296 CD2 PHE A 80 13.030 2.542 -2.110 1.00 12.51 C ATOM 1297 CE1 PHE A 80 12.362 1.600 0.395 1.00 60.43 C ATOM 1298 CE2 PHE A 80 13.623 1.393 -1.625 1.00 14.34 C ATOM 1299 CZ PHE A 80 13.288 0.922 -0.371 1.00 53.43 C ATOM 0 H PHE A 80 10.506 5.719 0.271 1.00 42.10 H new ATOM 0 HA PHE A 80 13.073 5.742 -1.198 1.00 4.40 H new ATOM 0 HB2 PHE A 80 10.376 4.433 -1.730 1.00 3.21 H new ATOM 0 HB3 PHE A 80 11.619 4.548 -2.960 1.00 3.21 H new ATOM 0 HD1 PHE A 80 11.046 3.274 0.510 1.00 2.41 H new ATOM 0 HD2 PHE A 80 13.295 2.905 -3.092 1.00 12.51 H new ATOM 0 HE1 PHE A 80 12.099 1.233 1.376 1.00 60.43 H new ATOM 0 HE2 PHE A 80 14.348 0.864 -2.226 1.00 14.34 H new ATOM 0 HZ PHE A 80 13.750 0.023 0.010 1.00 53.43 H new ATOM 1309 N SER A 81 12.284 7.218 -3.164 1.00 12.43 N ATOM 1310 CA SER A 81 12.025 8.375 -4.037 1.00 1.11 C ATOM 1311 C SER A 81 10.674 8.258 -4.758 1.00 3.54 C ATOM 1312 O SER A 81 10.004 9.263 -5.000 1.00 1.44 O ATOM 1313 CB SER A 81 13.152 8.535 -5.068 1.00 44.41 C ATOM 1314 OG SER A 81 12.936 9.663 -5.904 1.00 54.34 O ATOM 0 H SER A 81 13.042 6.614 -3.482 1.00 12.43 H new ATOM 0 HA SER A 81 11.990 9.258 -3.399 1.00 1.11 H new ATOM 0 HB2 SER A 81 14.106 8.641 -4.552 1.00 44.41 H new ATOM 0 HB3 SER A 81 13.218 7.635 -5.679 1.00 44.41 H new ATOM 0 HG SER A 81 13.671 9.738 -6.548 1.00 54.34 H new ATOM 1320 N ASN A 82 10.278 7.031 -5.107 1.00 40.13 N ATOM 1321 CA ASN A 82 9.000 6.786 -5.799 1.00 11.05 C ATOM 1322 C ASN A 82 8.130 5.748 -5.065 1.00 64.22 C ATOM 1323 O ASN A 82 8.638 4.800 -4.466 1.00 14.43 O ATOM 1324 CB ASN A 82 9.258 6.307 -7.233 1.00 74.23 C ATOM 1325 CG ASN A 82 9.961 7.352 -8.080 1.00 63.42 C ATOM 1326 OD1 ASN A 82 9.323 8.170 -8.735 1.00 41.12 O ATOM 1327 ND2 ASN A 82 11.278 7.332 -8.073 1.00 22.01 N ATOM 0 H ASN A 82 10.822 6.188 -4.923 1.00 40.13 H new ATOM 0 HA ASN A 82 8.457 7.731 -5.812 1.00 11.05 H new ATOM 0 HB2 ASN A 82 9.862 5.400 -7.206 1.00 74.23 H new ATOM 0 HB3 ASN A 82 8.309 6.044 -7.701 1.00 74.23 H new ATOM 0 HD21 ASN A 82 11.801 8.012 -8.625 1.00 22.01 H new ATOM 0 HD22 ASN A 82 11.775 6.637 -7.516 1.00 22.01 H new ATOM 1334 N ILE A 83 6.809 5.927 -5.152 1.00 61.24 N ATOM 1335 CA ILE A 83 5.841 5.008 -4.532 1.00 51.11 C ATOM 1336 C ILE A 83 5.946 3.568 -5.093 1.00 10.15 C ATOM 1337 O ILE A 83 6.024 2.610 -4.319 1.00 63.32 O ATOM 1338 CB ILE A 83 4.387 5.528 -4.702 1.00 54.33 C ATOM 1339 CG1 ILE A 83 4.227 6.894 -4.012 1.00 21.04 C ATOM 1340 CG2 ILE A 83 3.373 4.519 -4.154 1.00 2.22 C ATOM 1341 CD1 ILE A 83 2.854 7.511 -4.185 1.00 71.32 C ATOM 0 H ILE A 83 6.379 6.707 -5.650 1.00 61.24 H new ATOM 0 HA ILE A 83 6.091 4.973 -3.472 1.00 51.11 H new ATOM 0 HB ILE A 83 4.189 5.651 -5.767 1.00 54.33 H new ATOM 0 HG12 ILE A 83 4.431 6.779 -2.948 1.00 21.04 H new ATOM 0 HG13 ILE A 83 4.976 7.580 -4.408 1.00 21.04 H new ATOM 0 HG21 ILE A 83 2.364 4.909 -4.286 1.00 2.22 H new ATOM 0 HG22 ILE A 83 3.471 3.576 -4.692 1.00 2.22 H new ATOM 0 HG23 ILE A 83 3.562 4.353 -3.093 1.00 2.22 H new ATOM 0 HD11 ILE A 83 2.819 8.471 -3.671 1.00 71.32 H new ATOM 0 HD12 ILE A 83 2.653 7.660 -5.246 1.00 71.32 H new ATOM 0 HD13 ILE A 83 2.100 6.846 -3.763 1.00 71.32 H new ATOM 1353 N PRO A 84 5.955 3.373 -6.439 1.00 74.05 N ATOM 1354 CA PRO A 84 6.073 2.026 -7.032 1.00 25.32 C ATOM 1355 C PRO A 84 7.325 1.281 -6.543 1.00 33.33 C ATOM 1356 O PRO A 84 7.318 0.062 -6.404 1.00 31.41 O ATOM 1357 CB PRO A 84 6.141 2.293 -8.551 1.00 50.14 C ATOM 1358 CG PRO A 84 6.467 3.745 -8.678 1.00 5.10 C ATOM 1359 CD PRO A 84 5.847 4.412 -7.480 1.00 74.31 C ATOM 0 HA PRO A 84 5.239 1.383 -6.749 1.00 25.32 H new ATOM 0 HB2 PRO A 84 6.903 1.675 -9.026 1.00 50.14 H new ATOM 0 HB3 PRO A 84 5.193 2.058 -9.035 1.00 50.14 H new ATOM 0 HG2 PRO A 84 7.545 3.903 -8.699 1.00 5.10 H new ATOM 0 HG3 PRO A 84 6.067 4.156 -9.605 1.00 5.10 H new ATOM 0 HD2 PRO A 84 6.380 5.321 -7.202 1.00 74.31 H new ATOM 0 HD3 PRO A 84 4.810 4.694 -7.665 1.00 74.31 H new ATOM 1367 N GLN A 85 8.388 2.035 -6.267 1.00 53.14 N ATOM 1368 CA GLN A 85 9.634 1.466 -5.741 1.00 2.24 C ATOM 1369 C GLN A 85 9.483 1.075 -4.263 1.00 20.12 C ATOM 1370 O GLN A 85 9.955 0.020 -3.834 1.00 71.23 O ATOM 1371 CB GLN A 85 10.784 2.467 -5.918 1.00 41.42 C ATOM 1372 CG GLN A 85 11.062 2.827 -7.376 1.00 0.13 C ATOM 1373 CD GLN A 85 11.584 1.653 -8.187 1.00 30.45 C ATOM 1374 OE1 GLN A 85 12.790 1.444 -8.294 1.00 0.13 O ATOM 1375 NE2 GLN A 85 10.688 0.876 -8.758 1.00 3.21 N ATOM 0 H GLN A 85 8.414 3.046 -6.399 1.00 53.14 H new ATOM 0 HA GLN A 85 9.862 0.561 -6.304 1.00 2.24 H new ATOM 0 HB2 GLN A 85 10.550 3.377 -5.366 1.00 41.42 H new ATOM 0 HB3 GLN A 85 11.689 2.050 -5.477 1.00 41.42 H new ATOM 0 HG2 GLN A 85 10.146 3.199 -7.834 1.00 0.13 H new ATOM 0 HG3 GLN A 85 11.789 3.639 -7.412 1.00 0.13 H new ATOM 0 HE21 GLN A 85 9.694 1.078 -8.649 1.00 3.21 H new ATOM 0 HE22 GLN A 85 10.988 0.072 -9.309 1.00 3.21 H new ATOM 1384 N LEU A 86 8.818 1.935 -3.491 1.00 1.11 N ATOM 1385 CA LEU A 86 8.517 1.655 -2.084 1.00 75.41 C ATOM 1386 C LEU A 86 7.743 0.330 -1.935 1.00 64.10 C ATOM 1387 O LEU A 86 8.121 -0.550 -1.147 1.00 24.41 O ATOM 1388 CB LEU A 86 7.702 2.821 -1.494 1.00 64.11 C ATOM 1389 CG LEU A 86 7.271 2.671 -0.026 1.00 32.30 C ATOM 1390 CD1 LEU A 86 8.484 2.574 0.899 1.00 15.30 C ATOM 1391 CD2 LEU A 86 6.366 3.832 0.385 1.00 50.13 C ATOM 0 H LEU A 86 8.475 2.838 -3.818 1.00 1.11 H new ATOM 0 HA LEU A 86 9.455 1.554 -1.539 1.00 75.41 H new ATOM 0 HB2 LEU A 86 8.292 3.733 -1.587 1.00 64.11 H new ATOM 0 HB3 LEU A 86 6.807 2.956 -2.102 1.00 64.11 H new ATOM 0 HG LEU A 86 6.708 1.743 0.069 1.00 32.30 H new ATOM 0 HD11 LEU A 86 8.148 2.469 1.930 1.00 15.30 H new ATOM 0 HD12 LEU A 86 9.084 1.707 0.623 1.00 15.30 H new ATOM 0 HD13 LEU A 86 9.087 3.477 0.804 1.00 15.30 H new ATOM 0 HD21 LEU A 86 6.070 3.711 1.427 1.00 50.13 H new ATOM 0 HD22 LEU A 86 6.905 4.772 0.268 1.00 50.13 H new ATOM 0 HD23 LEU A 86 5.477 3.842 -0.246 1.00 50.13 H new ATOM 1403 N ILE A 87 6.674 0.192 -2.715 1.00 34.04 N ATOM 1404 CA ILE A 87 5.831 -1.009 -2.677 1.00 14.34 C ATOM 1405 C ILE A 87 6.565 -2.243 -3.237 1.00 2.32 C ATOM 1406 O ILE A 87 6.618 -3.282 -2.579 1.00 43.41 O ATOM 1407 CB ILE A 87 4.514 -0.793 -3.468 1.00 35.31 C ATOM 1408 CG1 ILE A 87 3.741 0.417 -2.911 1.00 72.31 C ATOM 1409 CG2 ILE A 87 3.644 -2.051 -3.433 1.00 43.43 C ATOM 1410 CD1 ILE A 87 3.310 0.268 -1.463 1.00 75.22 C ATOM 0 H ILE A 87 6.367 0.897 -3.385 1.00 34.04 H new ATOM 0 HA ILE A 87 5.596 -1.192 -1.628 1.00 14.34 H new ATOM 0 HB ILE A 87 4.772 -0.589 -4.507 1.00 35.31 H new ATOM 0 HG12 ILE A 87 4.365 1.306 -3.003 1.00 72.31 H new ATOM 0 HG13 ILE A 87 2.857 0.583 -3.526 1.00 72.31 H new ATOM 0 HG21 ILE A 87 2.726 -1.875 -3.994 1.00 43.43 H new ATOM 0 HG22 ILE A 87 4.189 -2.883 -3.880 1.00 43.43 H new ATOM 0 HG23 ILE A 87 3.396 -2.293 -2.400 1.00 43.43 H new ATOM 0 HD11 ILE A 87 2.772 1.163 -1.149 1.00 75.22 H new ATOM 0 HD12 ILE A 87 2.658 -0.600 -1.365 1.00 75.22 H new ATOM 0 HD13 ILE A 87 4.190 0.134 -0.833 1.00 75.22 H new ATOM 1422 N ASP A 88 7.141 -2.118 -4.438 1.00 71.50 N ATOM 1423 CA ASP A 88 7.891 -3.221 -5.068 1.00 12.43 C ATOM 1424 C ASP A 88 8.991 -3.760 -4.139 1.00 54.41 C ATOM 1425 O ASP A 88 9.103 -4.970 -3.926 1.00 74.13 O ATOM 1426 CB ASP A 88 8.510 -2.750 -6.393 1.00 1.10 C ATOM 1427 CG ASP A 88 9.399 -3.805 -7.039 1.00 71.35 C ATOM 1428 OD1 ASP A 88 8.873 -4.670 -7.776 1.00 44.21 O ATOM 1429 OD2 ASP A 88 10.628 -3.777 -6.808 1.00 62.02 O ATOM 0 H ASP A 88 7.105 -1.265 -4.997 1.00 71.50 H new ATOM 0 HA ASP A 88 7.189 -4.031 -5.263 1.00 12.43 H new ATOM 0 HB2 ASP A 88 7.713 -2.480 -7.085 1.00 1.10 H new ATOM 0 HB3 ASP A 88 9.096 -1.848 -6.215 1.00 1.10 H new ATOM 1434 N HIS A 89 9.790 -2.853 -3.580 1.00 15.15 N ATOM 1435 CA HIS A 89 10.893 -3.238 -2.696 1.00 11.42 C ATOM 1436 C HIS A 89 10.384 -4.057 -1.497 1.00 34.04 C ATOM 1437 O HIS A 89 10.969 -5.075 -1.145 1.00 45.12 O ATOM 1438 CB HIS A 89 11.646 -1.994 -2.211 1.00 1.24 C ATOM 1439 CG HIS A 89 12.963 -2.302 -1.571 1.00 53.34 C ATOM 1440 ND1 HIS A 89 13.142 -2.399 -0.208 1.00 32.54 N ATOM 1441 CD2 HIS A 89 14.178 -2.531 -2.120 1.00 15.44 C ATOM 1442 CE1 HIS A 89 14.403 -2.673 0.052 1.00 44.53 C ATOM 1443 NE2 HIS A 89 15.051 -2.758 -1.088 1.00 4.44 N ATOM 0 H HIS A 89 9.696 -1.847 -3.722 1.00 15.15 H new ATOM 0 HA HIS A 89 11.579 -3.865 -3.266 1.00 11.42 H new ATOM 0 HB2 HIS A 89 11.810 -1.326 -3.057 1.00 1.24 H new ATOM 0 HB3 HIS A 89 11.021 -1.457 -1.497 1.00 1.24 H new ATOM 0 HD2 HIS A 89 14.415 -2.534 -3.174 1.00 15.44 H new ATOM 0 HE1 HIS A 89 14.832 -2.805 1.034 1.00 44.53 H new ATOM 0 HE2 HIS A 89 16.046 -2.961 -1.189 1.00 4.44 H new ATOM 1452 N HIS A 90 9.290 -3.612 -0.874 1.00 61.15 N ATOM 1453 CA HIS A 90 8.689 -4.364 0.240 1.00 43.11 C ATOM 1454 C HIS A 90 8.133 -5.721 -0.225 1.00 33.04 C ATOM 1455 O HIS A 90 8.402 -6.751 0.389 1.00 54.41 O ATOM 1456 CB HIS A 90 7.581 -3.545 0.918 1.00 34.21 C ATOM 1457 CG HIS A 90 8.099 -2.531 1.895 1.00 25.11 C ATOM 1458 ND1 HIS A 90 8.363 -1.220 1.562 1.00 63.13 N ATOM 1459 CD2 HIS A 90 8.401 -2.646 3.210 1.00 40.43 C ATOM 1460 CE1 HIS A 90 8.804 -0.576 2.625 1.00 74.23 C ATOM 1461 NE2 HIS A 90 8.837 -1.417 3.637 1.00 63.12 N ATOM 0 H HIS A 90 8.805 -2.748 -1.114 1.00 61.15 H new ATOM 0 HA HIS A 90 9.481 -4.554 0.965 1.00 43.11 H new ATOM 0 HB2 HIS A 90 6.997 -3.035 0.152 1.00 34.21 H new ATOM 0 HB3 HIS A 90 6.903 -4.224 1.436 1.00 34.21 H new ATOM 0 HD1 HIS A 90 8.237 -0.811 0.636 1.00 63.13 H new ATOM 0 HD2 HIS A 90 8.315 -3.539 3.811 1.00 40.43 H new ATOM 0 HE1 HIS A 90 9.090 0.465 2.659 1.00 74.23 H new ATOM 1470 N TYR A 91 7.374 -5.705 -1.318 1.00 51.40 N ATOM 1471 CA TYR A 91 6.744 -6.916 -1.863 1.00 70.44 C ATOM 1472 C TYR A 91 7.778 -8.013 -2.173 1.00 1.31 C ATOM 1473 O TYR A 91 7.689 -9.131 -1.660 1.00 34.45 O ATOM 1474 CB TYR A 91 5.962 -6.551 -3.134 1.00 63.50 C ATOM 1475 CG TYR A 91 5.241 -7.717 -3.796 1.00 50.23 C ATOM 1476 CD1 TYR A 91 3.944 -8.064 -3.425 1.00 34.30 C ATOM 1477 CD2 TYR A 91 5.852 -8.463 -4.802 1.00 64.43 C ATOM 1478 CE1 TYR A 91 3.283 -9.114 -4.034 1.00 13.31 C ATOM 1479 CE2 TYR A 91 5.194 -9.515 -5.412 1.00 5.32 C ATOM 1480 CZ TYR A 91 3.910 -9.836 -5.026 1.00 23.42 C ATOM 1481 OH TYR A 91 3.249 -10.880 -5.637 1.00 53.13 O ATOM 0 H TYR A 91 7.176 -4.859 -1.852 1.00 51.40 H new ATOM 0 HA TYR A 91 6.066 -7.316 -1.109 1.00 70.44 H new ATOM 0 HB2 TYR A 91 5.230 -5.783 -2.885 1.00 63.50 H new ATOM 0 HB3 TYR A 91 6.652 -6.112 -3.855 1.00 63.50 H new ATOM 0 HD1 TYR A 91 3.446 -7.503 -2.648 1.00 34.30 H new ATOM 0 HD2 TYR A 91 6.857 -8.215 -5.111 1.00 64.43 H new ATOM 0 HE1 TYR A 91 2.277 -9.368 -3.733 1.00 13.31 H new ATOM 0 HE2 TYR A 91 5.684 -10.083 -6.188 1.00 5.32 H new ATOM 0 HH TYR A 91 3.831 -11.284 -6.315 1.00 53.13 H new ATOM 1491 N THR A 92 8.763 -7.680 -3.002 1.00 41.54 N ATOM 1492 CA THR A 92 9.779 -8.647 -3.442 1.00 54.34 C ATOM 1493 C THR A 92 10.634 -9.169 -2.277 1.00 55.12 C ATOM 1494 O THR A 92 10.972 -10.354 -2.222 1.00 64.44 O ATOM 1495 CB THR A 92 10.709 -8.028 -4.510 1.00 61.43 C ATOM 1496 OG1 THR A 92 11.337 -6.845 -3.988 1.00 42.14 O ATOM 1497 CG2 THR A 92 9.928 -7.680 -5.776 1.00 50.00 C ATOM 0 H THR A 92 8.884 -6.744 -3.388 1.00 41.54 H new ATOM 0 HA THR A 92 9.233 -9.487 -3.871 1.00 54.34 H new ATOM 0 HB THR A 92 11.473 -8.763 -4.765 1.00 61.43 H new ATOM 0 HG1 THR A 92 10.682 -6.117 -3.950 1.00 42.14 H new ATOM 0 HG21 THR A 92 10.604 -7.246 -6.513 1.00 50.00 H new ATOM 0 HG22 THR A 92 9.477 -8.584 -6.185 1.00 50.00 H new ATOM 0 HG23 THR A 92 9.145 -6.961 -5.534 1.00 50.00 H new ATOM 1505 N THR A 93 10.993 -8.284 -1.349 1.00 3.34 N ATOM 1506 CA THR A 93 11.776 -8.680 -0.165 1.00 33.22 C ATOM 1507 C THR A 93 10.903 -9.368 0.895 1.00 54.51 C ATOM 1508 O THR A 93 11.415 -9.856 1.905 1.00 52.11 O ATOM 1509 CB THR A 93 12.486 -7.468 0.492 1.00 63.41 C ATOM 1510 OG1 THR A 93 11.513 -6.527 0.983 1.00 44.14 O ATOM 1511 CG2 THR A 93 13.416 -6.773 -0.499 1.00 55.42 C ATOM 0 H THR A 93 10.759 -7.292 -1.387 1.00 3.34 H new ATOM 0 HA THR A 93 12.526 -9.383 -0.527 1.00 33.22 H new ATOM 0 HB THR A 93 13.083 -7.840 1.325 1.00 63.41 H new ATOM 0 HG1 THR A 93 11.418 -5.791 0.343 1.00 44.14 H new ATOM 0 HG21 THR A 93 13.900 -5.927 -0.011 1.00 55.42 H new ATOM 0 HG22 THR A 93 14.174 -7.477 -0.842 1.00 55.42 H new ATOM 0 HG23 THR A 93 12.838 -6.418 -1.352 1.00 55.42 H new ATOM 1519 N LYS A 94 9.587 -9.406 0.658 1.00 5.05 N ATOM 1520 CA LYS A 94 8.631 -10.014 1.595 1.00 11.05 C ATOM 1521 C LYS A 94 8.683 -9.309 2.969 1.00 2.11 C ATOM 1522 O LYS A 94 8.455 -9.922 4.015 1.00 71.42 O ATOM 1523 CB LYS A 94 8.916 -11.524 1.735 1.00 3.11 C ATOM 1524 CG LYS A 94 7.759 -12.332 2.321 1.00 43.23 C ATOM 1525 CD LYS A 94 6.540 -12.322 1.399 1.00 31.21 C ATOM 1526 CE LYS A 94 5.376 -13.116 1.979 1.00 62.23 C ATOM 1527 NZ LYS A 94 5.719 -14.546 2.199 1.00 42.52 N ATOM 0 H LYS A 94 9.155 -9.020 -0.182 1.00 5.05 H new ATOM 0 HA LYS A 94 7.624 -9.888 1.198 1.00 11.05 H new ATOM 0 HB2 LYS A 94 9.164 -11.927 0.753 1.00 3.11 H new ATOM 0 HB3 LYS A 94 9.794 -11.659 2.367 1.00 3.11 H new ATOM 0 HG2 LYS A 94 8.081 -13.360 2.488 1.00 43.23 H new ATOM 0 HG3 LYS A 94 7.484 -11.922 3.293 1.00 43.23 H new ATOM 0 HD2 LYS A 94 6.226 -11.293 1.226 1.00 31.21 H new ATOM 0 HD3 LYS A 94 6.815 -12.739 0.430 1.00 31.21 H new ATOM 0 HE2 LYS A 94 5.070 -12.669 2.925 1.00 62.23 H new ATOM 0 HE3 LYS A 94 4.522 -13.050 1.304 1.00 62.23 H new ATOM 0 HZ1 LYS A 94 4.856 -15.078 2.431 1.00 42.52 H new ATOM 0 HZ2 LYS A 94 6.145 -14.938 1.335 1.00 42.52 H new ATOM 0 HZ3 LYS A 94 6.396 -14.624 2.985 1.00 42.52 H new ATOM 1541 N GLN A 95 8.973 -8.009 2.946 1.00 60.11 N ATOM 1542 CA GLN A 95 9.081 -7.207 4.172 1.00 55.25 C ATOM 1543 C GLN A 95 7.732 -6.629 4.615 1.00 3.33 C ATOM 1544 O GLN A 95 6.815 -6.452 3.811 1.00 1.03 O ATOM 1545 CB GLN A 95 10.100 -6.069 3.978 1.00 51.22 C ATOM 1546 CG GLN A 95 11.528 -6.454 4.343 1.00 63.35 C ATOM 1547 CD GLN A 95 11.700 -6.705 5.836 1.00 10.55 C ATOM 1548 OE1 GLN A 95 11.014 -6.111 6.665 1.00 11.53 O ATOM 1549 NE2 GLN A 95 12.599 -7.593 6.192 1.00 1.31 N ATOM 0 H GLN A 95 9.139 -7.483 2.088 1.00 60.11 H new ATOM 0 HA GLN A 95 9.424 -7.877 4.961 1.00 55.25 H new ATOM 0 HB2 GLN A 95 10.075 -5.745 2.937 1.00 51.22 H new ATOM 0 HB3 GLN A 95 9.797 -5.215 4.585 1.00 51.22 H new ATOM 0 HG2 GLN A 95 11.811 -7.351 3.792 1.00 63.35 H new ATOM 0 HG3 GLN A 95 12.206 -5.660 4.031 1.00 63.35 H new ATOM 0 HE21 GLN A 95 13.154 -8.070 5.481 1.00 1.31 H new ATOM 0 HE22 GLN A 95 12.743 -7.806 7.179 1.00 1.31 H new ATOM 1558 N VAL A 96 7.636 -6.320 5.904 1.00 3.41 N ATOM 1559 CA VAL A 96 6.408 -5.781 6.493 1.00 1.34 C ATOM 1560 C VAL A 96 6.287 -4.261 6.277 1.00 25.02 C ATOM 1561 O VAL A 96 7.285 -3.564 6.070 1.00 43.43 O ATOM 1562 CB VAL A 96 6.343 -6.086 8.013 1.00 63.45 C ATOM 1563 CG1 VAL A 96 6.467 -7.587 8.267 1.00 1.50 C ATOM 1564 CG2 VAL A 96 7.424 -5.316 8.772 1.00 53.42 C ATOM 0 H VAL A 96 8.401 -6.434 6.569 1.00 3.41 H new ATOM 0 HA VAL A 96 5.576 -6.270 5.986 1.00 1.34 H new ATOM 0 HB VAL A 96 5.373 -5.756 8.383 1.00 63.45 H new ATOM 0 HG11 VAL A 96 6.419 -7.780 9.339 1.00 1.50 H new ATOM 0 HG12 VAL A 96 5.651 -8.109 7.768 1.00 1.50 H new ATOM 0 HG13 VAL A 96 7.420 -7.945 7.876 1.00 1.50 H new ATOM 0 HG21 VAL A 96 7.357 -5.547 9.835 1.00 53.42 H new ATOM 0 HG22 VAL A 96 8.407 -5.605 8.399 1.00 53.42 H new ATOM 0 HG23 VAL A 96 7.280 -4.246 8.624 1.00 53.42 H new ATOM 1574 N ILE A 97 5.056 -3.756 6.327 1.00 61.42 N ATOM 1575 CA ILE A 97 4.799 -2.316 6.212 1.00 60.33 C ATOM 1576 C ILE A 97 5.144 -1.581 7.521 1.00 41.22 C ATOM 1577 O ILE A 97 5.988 -0.682 7.541 1.00 21.52 O ATOM 1578 CB ILE A 97 3.320 -2.041 5.831 1.00 63.10 C ATOM 1579 CG1 ILE A 97 2.972 -2.715 4.491 1.00 14.53 C ATOM 1580 CG2 ILE A 97 3.048 -0.535 5.766 1.00 52.12 C ATOM 1581 CD1 ILE A 97 3.817 -2.237 3.324 1.00 14.42 C ATOM 0 H ILE A 97 4.216 -4.322 6.447 1.00 61.42 H new ATOM 0 HA ILE A 97 5.443 -1.936 5.419 1.00 60.33 H new ATOM 0 HB ILE A 97 2.682 -2.468 6.605 1.00 63.10 H new ATOM 0 HG12 ILE A 97 3.092 -3.793 4.596 1.00 14.53 H new ATOM 0 HG13 ILE A 97 1.922 -2.532 4.265 1.00 14.53 H new ATOM 0 HG21 ILE A 97 2.005 -0.365 5.497 1.00 52.12 H new ATOM 0 HG22 ILE A 97 3.250 -0.086 6.739 1.00 52.12 H new ATOM 0 HG23 ILE A 97 3.695 -0.080 5.016 1.00 52.12 H new ATOM 0 HD11 ILE A 97 3.512 -2.758 2.416 1.00 14.42 H new ATOM 0 HD12 ILE A 97 3.679 -1.164 3.190 1.00 14.42 H new ATOM 0 HD13 ILE A 97 4.868 -2.445 3.526 1.00 14.42 H new ATOM 1593 N THR A 98 4.479 -1.969 8.612 1.00 25.35 N ATOM 1594 CA THR A 98 4.746 -1.399 9.943 1.00 72.41 C ATOM 1595 C THR A 98 4.951 -2.506 10.984 1.00 63.23 C ATOM 1596 O THR A 98 4.223 -3.501 10.995 1.00 24.41 O ATOM 1597 CB THR A 98 3.588 -0.489 10.425 1.00 70.51 C ATOM 1598 OG1 THR A 98 2.376 -1.252 10.549 1.00 61.01 O ATOM 1599 CG2 THR A 98 3.362 0.682 9.471 1.00 51.03 C ATOM 0 H THR A 98 3.747 -2.679 8.603 1.00 25.35 H new ATOM 0 HA THR A 98 5.653 -0.803 9.845 1.00 72.41 H new ATOM 0 HB THR A 98 3.867 -0.086 11.399 1.00 70.51 H new ATOM 0 HG1 THR A 98 1.674 -0.841 10.003 1.00 61.01 H new ATOM 0 HG21 THR A 98 2.543 1.299 9.840 1.00 51.03 H new ATOM 0 HG22 THR A 98 4.270 1.282 9.410 1.00 51.03 H new ATOM 0 HG23 THR A 98 3.112 0.301 8.481 1.00 51.03 H new ATOM 1607 N LYS A 99 5.926 -2.329 11.873 1.00 42.22 N ATOM 1608 CA LYS A 99 6.243 -3.345 12.887 1.00 11.32 C ATOM 1609 C LYS A 99 5.156 -3.426 13.968 1.00 71.41 C ATOM 1610 O LYS A 99 4.979 -4.466 14.604 1.00 42.55 O ATOM 1611 CB LYS A 99 7.606 -3.055 13.534 1.00 13.13 C ATOM 1612 CG LYS A 99 8.787 -3.157 12.570 1.00 41.24 C ATOM 1613 CD LYS A 99 8.902 -4.549 11.948 1.00 3.15 C ATOM 1614 CE LYS A 99 9.137 -5.634 12.998 1.00 45.53 C ATOM 1615 NZ LYS A 99 10.431 -5.457 13.711 1.00 71.34 N ATOM 0 H LYS A 99 6.512 -1.495 11.916 1.00 42.22 H new ATOM 0 HA LYS A 99 6.286 -4.309 12.380 1.00 11.32 H new ATOM 0 HB2 LYS A 99 7.587 -2.053 13.964 1.00 13.13 H new ATOM 0 HB3 LYS A 99 7.761 -3.752 14.357 1.00 13.13 H new ATOM 0 HG2 LYS A 99 8.674 -2.415 11.779 1.00 41.24 H new ATOM 0 HG3 LYS A 99 9.709 -2.920 13.101 1.00 41.24 H new ATOM 0 HD2 LYS A 99 7.991 -4.774 11.394 1.00 3.15 H new ATOM 0 HD3 LYS A 99 9.722 -4.557 11.230 1.00 3.15 H new ATOM 0 HE2 LYS A 99 8.321 -5.620 13.721 1.00 45.53 H new ATOM 0 HE3 LYS A 99 9.120 -6.612 12.517 1.00 45.53 H new ATOM 0 HZ1 LYS A 99 10.603 -6.277 14.327 1.00 71.34 H new ATOM 0 HZ2 LYS A 99 11.202 -5.377 13.017 1.00 71.34 H new ATOM 0 HZ3 LYS A 99 10.394 -4.593 14.288 1.00 71.34 H new ATOM 1629 N LYS A 100 4.429 -2.330 14.174 1.00 1.41 N ATOM 1630 CA LYS A 100 3.336 -2.308 15.156 1.00 31.45 C ATOM 1631 C LYS A 100 2.119 -3.122 14.676 1.00 30.44 C ATOM 1632 O LYS A 100 1.241 -3.458 15.471 1.00 75.32 O ATOM 1633 CB LYS A 100 2.911 -0.864 15.490 1.00 52.33 C ATOM 1634 CG LYS A 100 3.900 -0.109 16.384 1.00 22.34 C ATOM 1635 CD LYS A 100 5.209 0.199 15.664 1.00 43.33 C ATOM 1636 CE LYS A 100 6.246 0.818 16.594 1.00 61.42 C ATOM 1637 NZ LYS A 100 7.487 1.194 15.869 1.00 2.24 N ATOM 0 H LYS A 100 4.572 -1.449 13.680 1.00 1.41 H new ATOM 0 HA LYS A 100 3.718 -2.776 16.063 1.00 31.45 H new ATOM 0 HB2 LYS A 100 2.784 -0.310 14.560 1.00 52.33 H new ATOM 0 HB3 LYS A 100 1.939 -0.888 15.982 1.00 52.33 H new ATOM 0 HG2 LYS A 100 3.445 0.822 16.721 1.00 22.34 H new ATOM 0 HG3 LYS A 100 4.108 -0.702 17.274 1.00 22.34 H new ATOM 0 HD2 LYS A 100 5.610 -0.719 15.235 1.00 43.33 H new ATOM 0 HD3 LYS A 100 5.014 0.880 14.835 1.00 43.33 H new ATOM 0 HE2 LYS A 100 5.823 1.702 17.072 1.00 61.42 H new ATOM 0 HE3 LYS A 100 6.489 0.112 17.388 1.00 61.42 H new ATOM 0 HZ1 LYS A 100 8.306 1.074 16.498 1.00 2.24 H new ATOM 0 HZ2 LYS A 100 7.599 0.585 15.034 1.00 2.24 H new ATOM 0 HZ3 LYS A 100 7.425 2.187 15.567 1.00 2.24 H new ATOM 1651 N SER A 101 2.074 -3.449 13.382 1.00 2.02 N ATOM 1652 CA SER A 101 0.953 -4.228 12.819 1.00 65.50 C ATOM 1653 C SER A 101 1.415 -5.605 12.318 1.00 52.32 C ATOM 1654 O SER A 101 0.764 -6.621 12.578 1.00 71.40 O ATOM 1655 CB SER A 101 0.280 -3.456 11.674 1.00 64.12 C ATOM 1656 OG SER A 101 -0.835 -4.167 11.155 1.00 14.34 O ATOM 0 H SER A 101 2.791 -3.192 12.704 1.00 2.02 H new ATOM 0 HA SER A 101 0.231 -4.383 13.621 1.00 65.50 H new ATOM 0 HB2 SER A 101 -0.044 -2.479 12.033 1.00 64.12 H new ATOM 0 HB3 SER A 101 1.003 -3.279 10.878 1.00 64.12 H new ATOM 0 HG SER A 101 -1.499 -3.531 10.815 1.00 14.34 H new ATOM 1662 N GLY A 102 2.540 -5.633 11.603 1.00 3.21 N ATOM 1663 CA GLY A 102 3.088 -6.887 11.088 1.00 1.31 C ATOM 1664 C GLY A 102 2.366 -7.404 9.844 1.00 64.40 C ATOM 1665 O GLY A 102 2.039 -8.587 9.756 1.00 61.41 O ATOM 0 H GLY A 102 3.087 -4.805 11.368 1.00 3.21 H new ATOM 0 HA2 GLY A 102 4.143 -6.744 10.853 1.00 1.31 H new ATOM 0 HA3 GLY A 102 3.036 -7.645 11.870 1.00 1.31 H new ATOM 1669 N VAL A 103 2.117 -6.514 8.883 1.00 24.14 N ATOM 1670 CA VAL A 103 1.444 -6.887 7.630 1.00 71.04 C ATOM 1671 C VAL A 103 2.429 -6.921 6.449 1.00 64.22 C ATOM 1672 O VAL A 103 3.203 -5.983 6.247 1.00 30.50 O ATOM 1673 CB VAL A 103 0.294 -5.905 7.298 1.00 15.53 C ATOM 1674 CG1 VAL A 103 -0.435 -6.334 6.025 1.00 3.04 C ATOM 1675 CG2 VAL A 103 -0.674 -5.794 8.474 1.00 23.14 C ATOM 0 H VAL A 103 2.370 -5.528 8.945 1.00 24.14 H new ATOM 0 HA VAL A 103 1.034 -7.886 7.780 1.00 71.04 H new ATOM 0 HB VAL A 103 0.725 -4.919 7.121 1.00 15.53 H new ATOM 0 HG11 VAL A 103 -1.239 -5.630 5.811 1.00 3.04 H new ATOM 0 HG12 VAL A 103 0.267 -6.348 5.191 1.00 3.04 H new ATOM 0 HG13 VAL A 103 -0.853 -7.331 6.164 1.00 3.04 H new ATOM 0 HG21 VAL A 103 -1.475 -5.099 8.221 1.00 23.14 H new ATOM 0 HG22 VAL A 103 -1.098 -6.775 8.690 1.00 23.14 H new ATOM 0 HG23 VAL A 103 -0.140 -5.429 9.351 1.00 23.14 H new ATOM 1685 N VAL A 104 2.387 -8.004 5.668 1.00 50.15 N ATOM 1686 CA VAL A 104 3.257 -8.168 4.493 1.00 63.02 C ATOM 1687 C VAL A 104 2.447 -8.060 3.182 1.00 41.21 C ATOM 1688 O VAL A 104 1.244 -8.318 3.167 1.00 3.43 O ATOM 1689 CB VAL A 104 3.988 -9.539 4.533 1.00 1.42 C ATOM 1690 CG1 VAL A 104 5.006 -9.656 3.398 1.00 44.14 C ATOM 1691 CG2 VAL A 104 4.660 -9.757 5.886 1.00 1.31 C ATOM 0 H VAL A 104 1.755 -8.788 5.828 1.00 50.15 H new ATOM 0 HA VAL A 104 3.995 -7.366 4.521 1.00 63.02 H new ATOM 0 HB VAL A 104 3.240 -10.319 4.394 1.00 1.42 H new ATOM 0 HG11 VAL A 104 5.501 -10.625 3.452 1.00 44.14 H new ATOM 0 HG12 VAL A 104 4.495 -9.563 2.440 1.00 44.14 H new ATOM 0 HG13 VAL A 104 5.748 -8.864 3.492 1.00 44.14 H new ATOM 0 HG21 VAL A 104 5.165 -10.723 5.890 1.00 1.31 H new ATOM 0 HG22 VAL A 104 5.389 -8.966 6.062 1.00 1.31 H new ATOM 0 HG23 VAL A 104 3.907 -9.738 6.674 1.00 1.31 H new ATOM 1701 N LEU A 105 3.112 -7.683 2.087 1.00 52.41 N ATOM 1702 CA LEU A 105 2.447 -7.528 0.783 1.00 32.11 C ATOM 1703 C LEU A 105 2.519 -8.817 -0.057 1.00 74.12 C ATOM 1704 O LEU A 105 3.605 -9.285 -0.408 1.00 14.53 O ATOM 1705 CB LEU A 105 3.085 -6.366 0.003 1.00 64.40 C ATOM 1706 CG LEU A 105 3.040 -4.997 0.701 1.00 70.00 C ATOM 1707 CD1 LEU A 105 3.729 -3.936 -0.153 1.00 64.24 C ATOM 1708 CD2 LEU A 105 1.600 -4.591 1.017 1.00 75.32 C ATOM 0 H LEU A 105 4.111 -7.478 2.074 1.00 52.41 H new ATOM 0 HA LEU A 105 1.396 -7.313 0.975 1.00 32.11 H new ATOM 0 HB2 LEU A 105 4.126 -6.616 -0.201 1.00 64.40 H new ATOM 0 HB3 LEU A 105 2.583 -6.280 -0.961 1.00 64.40 H new ATOM 0 HG LEU A 105 3.579 -5.079 1.645 1.00 70.00 H new ATOM 0 HD11 LEU A 105 3.687 -2.974 0.358 1.00 64.24 H new ATOM 0 HD12 LEU A 105 4.770 -4.217 -0.312 1.00 64.24 H new ATOM 0 HD13 LEU A 105 3.223 -3.858 -1.115 1.00 64.24 H new ATOM 0 HD21 LEU A 105 1.596 -3.619 1.510 1.00 75.32 H new ATOM 0 HD22 LEU A 105 1.028 -4.530 0.091 1.00 75.32 H new ATOM 0 HD23 LEU A 105 1.149 -5.334 1.675 1.00 75.32 H new ATOM 1720 N LEU A 106 1.355 -9.394 -0.366 1.00 65.12 N ATOM 1721 CA LEU A 106 1.272 -10.580 -1.235 1.00 55.22 C ATOM 1722 C LEU A 106 0.033 -10.519 -2.148 1.00 23.41 C ATOM 1723 O LEU A 106 -0.881 -9.739 -1.900 1.00 34.23 O ATOM 1724 CB LEU A 106 1.269 -11.885 -0.407 1.00 14.52 C ATOM 1725 CG LEU A 106 0.183 -12.008 0.685 1.00 4.15 C ATOM 1726 CD1 LEU A 106 0.050 -13.456 1.150 1.00 35.41 C ATOM 1727 CD2 LEU A 106 0.493 -11.104 1.877 1.00 35.32 C ATOM 0 H LEU A 106 0.452 -9.061 -0.028 1.00 65.12 H new ATOM 0 HA LEU A 106 2.160 -10.581 -1.866 1.00 55.22 H new ATOM 0 HB2 LEU A 106 1.158 -12.724 -1.094 1.00 14.52 H new ATOM 0 HB3 LEU A 106 2.244 -11.989 0.069 1.00 14.52 H new ATOM 0 HG LEU A 106 -0.763 -11.688 0.248 1.00 4.15 H new ATOM 0 HD11 LEU A 106 -0.720 -13.522 1.919 1.00 35.41 H new ATOM 0 HD12 LEU A 106 -0.227 -14.086 0.304 1.00 35.41 H new ATOM 0 HD13 LEU A 106 1.002 -13.796 1.559 1.00 35.41 H new ATOM 0 HD21 LEU A 106 -0.289 -11.212 2.629 1.00 35.32 H new ATOM 0 HD22 LEU A 106 1.453 -11.387 2.308 1.00 35.32 H new ATOM 0 HD23 LEU A 106 0.536 -10.067 1.545 1.00 35.32 H new ATOM 1739 N ASN A 107 0.027 -11.352 -3.200 1.00 22.24 N ATOM 1740 CA ASN A 107 -1.049 -11.393 -4.221 1.00 34.53 C ATOM 1741 C ASN A 107 -1.792 -10.044 -4.430 1.00 11.03 C ATOM 1742 O ASN A 107 -2.865 -9.812 -3.872 1.00 20.13 O ATOM 1743 CB ASN A 107 -2.037 -12.555 -3.956 1.00 71.31 C ATOM 1744 CG ASN A 107 -2.556 -12.665 -2.522 1.00 42.43 C ATOM 1745 OD1 ASN A 107 -2.775 -13.764 -2.019 1.00 14.04 O ATOM 1746 ND2 ASN A 107 -2.796 -11.557 -1.857 1.00 31.23 N ATOM 0 H ASN A 107 0.773 -12.025 -3.374 1.00 22.24 H new ATOM 0 HA ASN A 107 -0.539 -11.582 -5.166 1.00 34.53 H new ATOM 0 HB2 ASN A 107 -2.890 -12.443 -4.625 1.00 71.31 H new ATOM 0 HB3 ASN A 107 -1.547 -13.492 -4.219 1.00 71.31 H new ATOM 0 HD21 ASN A 107 -3.170 -11.602 -0.909 1.00 31.23 H new ATOM 0 HD22 ASN A 107 -2.609 -10.652 -2.289 1.00 31.23 H new ATOM 1753 N PRO A 108 -1.225 -9.139 -5.257 1.00 45.21 N ATOM 1754 CA PRO A 108 -1.815 -7.809 -5.516 1.00 13.51 C ATOM 1755 C PRO A 108 -3.098 -7.864 -6.366 1.00 23.35 C ATOM 1756 O PRO A 108 -3.253 -8.730 -7.232 1.00 23.30 O ATOM 1757 CB PRO A 108 -0.703 -7.073 -6.274 1.00 52.11 C ATOM 1758 CG PRO A 108 0.081 -8.156 -6.938 1.00 34.54 C ATOM 1759 CD PRO A 108 0.033 -9.340 -6.003 1.00 5.51 C ATOM 0 HA PRO A 108 -2.124 -7.324 -4.590 1.00 13.51 H new ATOM 0 HB2 PRO A 108 -1.115 -6.377 -7.005 1.00 52.11 H new ATOM 0 HB3 PRO A 108 -0.079 -6.491 -5.596 1.00 52.11 H new ATOM 0 HG2 PRO A 108 -0.347 -8.408 -7.908 1.00 34.54 H new ATOM 0 HG3 PRO A 108 1.109 -7.840 -7.115 1.00 34.54 H new ATOM 0 HD2 PRO A 108 0.029 -10.283 -6.549 1.00 5.51 H new ATOM 0 HD3 PRO A 108 0.896 -9.361 -5.337 1.00 5.51 H new ATOM 1767 N ILE A 109 -4.017 -6.928 -6.118 1.00 1.40 N ATOM 1768 CA ILE A 109 -5.284 -6.865 -6.857 1.00 25.21 C ATOM 1769 C ILE A 109 -5.199 -5.860 -8.026 1.00 14.33 C ATOM 1770 O ILE A 109 -5.058 -4.653 -7.809 1.00 54.43 O ATOM 1771 CB ILE A 109 -6.455 -6.471 -5.919 1.00 4.41 C ATOM 1772 CG1 ILE A 109 -6.556 -7.462 -4.744 1.00 71.42 C ATOM 1773 CG2 ILE A 109 -7.777 -6.414 -6.689 1.00 13.41 C ATOM 1774 CD1 ILE A 109 -6.779 -8.901 -5.162 1.00 55.53 C ATOM 0 H ILE A 109 -3.909 -6.201 -5.410 1.00 1.40 H new ATOM 0 HA ILE A 109 -5.472 -7.859 -7.262 1.00 25.21 H new ATOM 0 HB ILE A 109 -6.254 -5.477 -5.520 1.00 4.41 H new ATOM 0 HG12 ILE A 109 -5.641 -7.404 -4.155 1.00 71.42 H new ATOM 0 HG13 ILE A 109 -7.374 -7.154 -4.093 1.00 71.42 H new ATOM 0 HG21 ILE A 109 -8.582 -6.136 -6.009 1.00 13.41 H new ATOM 0 HG22 ILE A 109 -7.702 -5.674 -7.486 1.00 13.41 H new ATOM 0 HG23 ILE A 109 -7.989 -7.392 -7.121 1.00 13.41 H new ATOM 0 HD11 ILE A 109 -6.838 -9.532 -4.275 1.00 55.53 H new ATOM 0 HD12 ILE A 109 -7.710 -8.976 -5.724 1.00 55.53 H new ATOM 0 HD13 ILE A 109 -5.950 -9.231 -5.787 1.00 55.53 H new ATOM 1786 N PRO A 110 -5.307 -6.348 -9.280 1.00 52.03 N ATOM 1787 CA PRO A 110 -5.129 -5.509 -10.484 1.00 52.42 C ATOM 1788 C PRO A 110 -6.229 -4.445 -10.678 1.00 62.01 C ATOM 1789 O PRO A 110 -7.311 -4.528 -10.095 1.00 23.42 O ATOM 1790 CB PRO A 110 -5.161 -6.530 -11.631 1.00 34.50 C ATOM 1791 CG PRO A 110 -5.955 -7.672 -11.093 1.00 31.11 C ATOM 1792 CD PRO A 110 -5.618 -7.749 -9.628 1.00 62.14 C ATOM 0 HA PRO A 110 -4.210 -4.926 -10.422 1.00 52.42 H new ATOM 0 HB2 PRO A 110 -5.625 -6.110 -12.523 1.00 34.50 H new ATOM 0 HB3 PRO A 110 -4.155 -6.843 -11.912 1.00 34.50 H new ATOM 0 HG2 PRO A 110 -7.023 -7.510 -11.241 1.00 31.11 H new ATOM 0 HG3 PRO A 110 -5.699 -8.601 -11.603 1.00 31.11 H new ATOM 0 HD2 PRO A 110 -6.453 -8.134 -9.042 1.00 62.14 H new ATOM 0 HD3 PRO A 110 -4.769 -8.408 -9.444 1.00 62.14 H new