USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 594 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 27 MET CE :methyl -159:sc= -0.229 (180deg=-0.747) USER MOD Set 1.2: A 54 CYS SG : rot -20:sc= -2.64! USER MOD Single : A 12 ASN : amide:sc= -0.121 K(o=-0.12,f=-2.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.228 X(o=-0.23,f=0.042) USER MOD Single : A 24 SER OG : rot -66:sc= 1.26 USER MOD Single : A 26 LYS NZ :NH3+ -122:sc= 0.306 (180deg=-0.452) USER MOD Single : A 28 ASN : amide:sc= 0.446 K(o=0.45,f=-0.36) USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00429 USER MOD Single : A 34 ASN : amide:sc= -0.0493 K(o=-0.049,f=-7.4!) USER MOD Single : A 37 LYS NZ :NH3+ -146:sc= 0.469 (180deg=0.0923) USER MOD Single : A 42 MET CE :methyl 140:sc= -0.0607 (180deg=-1.74) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 79:sc= 1.32 USER MOD Single : A 59 MET CE :methyl 147:sc= -0.243 (180deg=-1.1) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.6 USER MOD Single : A 68 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.0095) USER MOD Single : A 70 THR OG1 : rot -51:sc= 0.806 USER MOD Single : A 71 GLN : amide:sc= -5.02! K(o=-5!,f=-2.7) USER MOD Single : A 76 MET CE :methyl 151:sc= -0.55 (180deg=-1.7!) USER MOD Single : A 80 LYS NZ :NH3+ 171:sc= 1.28 (180deg=1.15) USER MOD Single : A 82 MET CE :methyl -168:sc= -0.198 (180deg=-0.467) USER MOD Single : A 83 GLN : amide:sc= 0.0881 X(o=0.088,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 11 1.932 -16.685 -0.931 1.00 1.24 N ATOM 165 CA PRO A 11 2.772 -15.673 -0.267 1.00 33.34 C ATOM 166 C PRO A 11 2.430 -15.509 1.227 1.00 11.12 C ATOM 167 O PRO A 11 1.355 -15.020 1.579 1.00 41.23 O ATOM 168 CB PRO A 11 2.469 -14.371 -1.041 1.00 20.32 C ATOM 169 CG PRO A 11 1.765 -14.803 -2.287 1.00 12.10 C ATOM 170 CD PRO A 11 1.045 -16.078 -1.939 1.00 23.31 C ATOM 0 HA PRO A 11 3.825 -15.953 -0.286 1.00 33.34 H new ATOM 0 HB2 PRO A 11 1.846 -13.699 -0.451 1.00 20.32 H new ATOM 0 HB3 PRO A 11 3.386 -13.831 -1.275 1.00 20.32 H new ATOM 0 HG2 PRO A 11 1.064 -14.039 -2.623 1.00 12.10 H new ATOM 0 HG3 PRO A 11 2.474 -14.965 -3.099 1.00 12.10 H new ATOM 0 HD2 PRO A 11 0.050 -15.885 -1.539 1.00 23.31 H new ATOM 0 HD3 PRO A 11 0.919 -16.723 -2.809 1.00 23.31 H new ATOM 178 N ASN A 12 3.343 -15.941 2.097 1.00 13.33 N ATOM 179 CA ASN A 12 3.177 -15.795 3.551 1.00 5.13 C ATOM 180 C ASN A 12 3.109 -14.318 3.976 1.00 62.22 C ATOM 181 O ASN A 12 3.443 -13.419 3.200 1.00 71.15 O ATOM 182 CB ASN A 12 4.332 -16.493 4.282 1.00 4.13 C ATOM 183 CG ASN A 12 4.306 -18.001 4.111 1.00 55.43 C ATOM 184 OD1 ASN A 12 3.791 -18.524 3.132 1.00 32.33 O ATOM 185 ND2 ASN A 12 4.877 -18.713 5.061 1.00 50.21 N ATOM 0 H ASN A 12 4.212 -16.398 1.822 1.00 13.33 H new ATOM 0 HA ASN A 12 2.231 -16.263 3.823 1.00 5.13 H new ATOM 0 HB2 ASN A 12 5.280 -16.105 3.909 1.00 4.13 H new ATOM 0 HB3 ASN A 12 4.284 -16.251 5.344 1.00 4.13 H new ATOM 0 HD21 ASN A 12 4.898 -19.730 4.993 1.00 50.21 H new ATOM 0 HD22 ASN A 12 5.298 -18.247 5.865 1.00 50.21 H new ATOM 192 N GLU A 13 2.692 -14.075 5.217 1.00 44.32 N ATOM 193 CA GLU A 13 2.552 -12.707 5.731 1.00 13.14 C ATOM 194 C GLU A 13 3.881 -11.936 5.651 1.00 75.13 C ATOM 195 O GLU A 13 3.926 -10.797 5.182 1.00 34.52 O ATOM 196 CB GLU A 13 2.032 -12.729 7.176 1.00 71.11 C ATOM 197 CG GLU A 13 1.842 -11.343 7.792 1.00 25.02 C ATOM 198 CD GLU A 13 1.027 -11.387 9.074 1.00 24.21 C ATOM 199 OE1 GLU A 13 -0.217 -11.405 8.978 1.00 52.23 O ATOM 200 OE2 GLU A 13 1.622 -11.427 10.172 1.00 2.34 O ATOM 0 H GLU A 13 2.445 -14.803 5.887 1.00 44.32 H new ATOM 0 HA GLU A 13 1.828 -12.188 5.103 1.00 13.14 H new ATOM 0 HB2 GLU A 13 1.080 -13.259 7.200 1.00 71.11 H new ATOM 0 HB3 GLU A 13 2.729 -13.297 7.793 1.00 71.11 H new ATOM 0 HG2 GLU A 13 2.818 -10.904 8.000 1.00 25.02 H new ATOM 0 HG3 GLU A 13 1.346 -10.693 7.071 1.00 25.02 H new ATOM 207 N GLU A 14 4.956 -12.576 6.098 1.00 13.12 N ATOM 208 CA GLU A 14 6.305 -12.007 5.997 1.00 42.40 C ATOM 209 C GLU A 14 6.673 -11.699 4.533 1.00 42.31 C ATOM 210 O GLU A 14 7.408 -10.750 4.248 1.00 64.43 O ATOM 211 CB GLU A 14 7.315 -12.995 6.597 1.00 21.15 C ATOM 212 CG GLU A 14 7.062 -13.311 8.070 1.00 74.15 C ATOM 213 CD GLU A 14 7.719 -14.608 8.512 1.00 61.32 C ATOM 214 OE1 GLU A 14 8.946 -14.616 8.740 1.00 52.44 O ATOM 215 OE2 GLU A 14 7.006 -15.632 8.613 1.00 34.43 O ATOM 0 H GLU A 14 4.924 -13.496 6.538 1.00 13.12 H new ATOM 0 HA GLU A 14 6.330 -11.068 6.551 1.00 42.40 H new ATOM 0 HB2 GLU A 14 7.287 -13.923 6.025 1.00 21.15 H new ATOM 0 HB3 GLU A 14 8.319 -12.585 6.489 1.00 21.15 H new ATOM 0 HG2 GLU A 14 7.437 -12.491 8.683 1.00 74.15 H new ATOM 0 HG3 GLU A 14 5.988 -13.374 8.245 1.00 74.15 H new ATOM 222 N ALA A 15 6.137 -12.500 3.609 1.00 31.15 N ATOM 223 CA ALA A 15 6.417 -12.339 2.178 1.00 13.23 C ATOM 224 C ALA A 15 5.659 -11.143 1.579 1.00 71.44 C ATOM 225 O ALA A 15 6.256 -10.288 0.927 1.00 65.41 O ATOM 226 CB ALA A 15 6.073 -13.624 1.428 1.00 62.34 C ATOM 0 H ALA A 15 5.504 -13.270 3.826 1.00 31.15 H new ATOM 0 HA ALA A 15 7.482 -12.136 2.067 1.00 13.23 H new ATOM 0 HB1 ALA A 15 6.285 -13.494 0.367 1.00 62.34 H new ATOM 0 HB2 ALA A 15 6.673 -14.445 1.819 1.00 62.34 H new ATOM 0 HB3 ALA A 15 5.015 -13.851 1.562 1.00 62.34 H new ATOM 232 N ARG A 16 4.346 -11.075 1.812 1.00 53.34 N ATOM 233 CA ARG A 16 3.532 -9.957 1.308 1.00 22.02 C ATOM 234 C ARG A 16 4.002 -8.620 1.908 1.00 3.40 C ATOM 235 O ARG A 16 4.049 -7.598 1.221 1.00 43.32 O ATOM 236 CB ARG A 16 2.035 -10.185 1.606 1.00 50.33 C ATOM 237 CG ARG A 16 1.700 -10.305 3.091 1.00 0.34 C ATOM 238 CD ARG A 16 0.208 -10.535 3.334 1.00 61.12 C ATOM 239 NE ARG A 16 -0.089 -10.738 4.756 1.00 0.21 N ATOM 240 CZ ARG A 16 -1.181 -11.309 5.207 1.00 3.51 C ATOM 241 NH1 ARG A 16 -2.127 -11.661 4.397 1.00 24.34 N ATOM 242 NH2 ARG A 16 -1.345 -11.491 6.480 1.00 2.14 N ATOM 0 H ARG A 16 3.824 -11.773 2.342 1.00 53.34 H new ATOM 0 HA ARG A 16 3.662 -9.912 0.227 1.00 22.02 H new ATOM 0 HB2 ARG A 16 1.463 -9.360 1.182 1.00 50.33 H new ATOM 0 HB3 ARG A 16 1.710 -11.093 1.098 1.00 50.33 H new ATOM 0 HG2 ARG A 16 2.267 -11.129 3.523 1.00 0.34 H new ATOM 0 HG3 ARG A 16 2.014 -9.397 3.606 1.00 0.34 H new ATOM 0 HD2 ARG A 16 -0.356 -9.679 2.964 1.00 61.12 H new ATOM 0 HD3 ARG A 16 -0.123 -11.405 2.766 1.00 61.12 H new ATOM 0 HE ARG A 16 0.597 -10.415 5.438 1.00 0.21 H new ATOM 0 HH11 ARG A 16 -2.029 -11.495 3.395 1.00 24.34 H new ATOM 0 HH12 ARG A 16 -2.971 -12.104 4.760 1.00 24.34 H new ATOM 0 HH21 ARG A 16 -0.624 -11.190 7.135 1.00 2.14 H new ATOM 0 HH22 ARG A 16 -2.195 -11.935 6.826 1.00 2.14 H new ATOM 256 N LEU A 17 4.364 -8.645 3.192 1.00 52.34 N ATOM 257 CA LEU A 17 4.897 -7.465 3.876 1.00 13.30 C ATOM 258 C LEU A 17 6.224 -7.017 3.242 1.00 3.14 C ATOM 259 O LEU A 17 6.504 -5.820 3.129 1.00 31.44 O ATOM 260 CB LEU A 17 5.096 -7.773 5.368 1.00 23.53 C ATOM 261 CG LEU A 17 5.573 -6.595 6.231 1.00 30.30 C ATOM 262 CD1 LEU A 17 4.576 -5.443 6.178 1.00 13.23 C ATOM 263 CD2 LEU A 17 5.804 -7.043 7.674 1.00 40.20 C ATOM 0 H LEU A 17 4.297 -9.474 3.782 1.00 52.34 H new ATOM 0 HA LEU A 17 4.180 -6.650 3.772 1.00 13.30 H new ATOM 0 HB2 LEU A 17 4.153 -8.139 5.774 1.00 23.53 H new ATOM 0 HB3 LEU A 17 5.819 -8.584 5.460 1.00 23.53 H new ATOM 0 HG LEU A 17 6.521 -6.240 5.826 1.00 30.30 H new ATOM 0 HD11 LEU A 17 4.936 -4.621 6.797 1.00 13.23 H new ATOM 0 HD12 LEU A 17 4.469 -5.102 5.148 1.00 13.23 H new ATOM 0 HD13 LEU A 17 3.609 -5.781 6.551 1.00 13.23 H new ATOM 0 HD21 LEU A 17 6.141 -6.194 8.269 1.00 40.20 H new ATOM 0 HD22 LEU A 17 4.873 -7.429 8.089 1.00 40.20 H new ATOM 0 HD23 LEU A 17 6.563 -7.825 7.695 1.00 40.20 H new ATOM 275 N ASP A 18 7.030 -7.991 2.821 1.00 41.35 N ATOM 276 CA ASP A 18 8.306 -7.719 2.158 1.00 21.41 C ATOM 277 C ASP A 18 8.085 -7.006 0.811 1.00 11.02 C ATOM 278 O ASP A 18 8.707 -5.979 0.528 1.00 21.34 O ATOM 279 CB ASP A 18 9.070 -9.032 1.951 1.00 23.03 C ATOM 280 CG ASP A 18 10.519 -8.802 1.568 1.00 40.42 C ATOM 281 OD1 ASP A 18 11.343 -8.558 2.475 1.00 73.10 O ATOM 282 OD2 ASP A 18 10.846 -8.870 0.366 1.00 34.30 O ATOM 0 H ASP A 18 6.820 -8.983 2.928 1.00 41.35 H new ATOM 0 HA ASP A 18 8.896 -7.058 2.793 1.00 21.41 H new ATOM 0 HB2 ASP A 18 9.028 -9.622 2.866 1.00 23.03 H new ATOM 0 HB3 ASP A 18 8.579 -9.616 1.172 1.00 23.03 H new ATOM 287 N ILE A 19 7.181 -7.553 -0.005 1.00 50.30 N ATOM 288 CA ILE A 19 6.831 -6.955 -1.304 1.00 43.12 C ATOM 289 C ILE A 19 6.394 -5.487 -1.137 1.00 30.40 C ATOM 290 O ILE A 19 6.778 -4.608 -1.920 1.00 44.11 O ATOM 291 CB ILE A 19 5.681 -7.736 -1.994 1.00 5.44 C ATOM 292 CG1 ILE A 19 5.965 -9.248 -1.994 1.00 65.24 C ATOM 293 CG2 ILE A 19 5.477 -7.235 -3.426 1.00 51.34 C ATOM 294 CD1 ILE A 19 4.769 -10.085 -2.399 1.00 32.32 C ATOM 0 H ILE A 19 6.674 -8.412 0.208 1.00 50.30 H new ATOM 0 HA ILE A 19 7.726 -7.004 -1.925 1.00 43.12 H new ATOM 0 HB ILE A 19 4.767 -7.560 -1.427 1.00 5.44 H new ATOM 0 HG12 ILE A 19 6.791 -9.455 -2.674 1.00 65.24 H new ATOM 0 HG13 ILE A 19 6.289 -9.549 -0.998 1.00 65.24 H new ATOM 0 HG21 ILE A 19 4.667 -7.794 -3.895 1.00 51.34 H new ATOM 0 HG22 ILE A 19 5.224 -6.175 -3.408 1.00 51.34 H new ATOM 0 HG23 ILE A 19 6.395 -7.379 -3.996 1.00 51.34 H new ATOM 0 HD11 ILE A 19 5.040 -11.141 -2.377 1.00 32.32 H new ATOM 0 HD12 ILE A 19 3.948 -9.907 -1.705 1.00 32.32 H new ATOM 0 HD13 ILE A 19 4.458 -9.811 -3.407 1.00 32.32 H new ATOM 306 N LEU A 20 5.579 -5.240 -0.110 1.00 31.45 N ATOM 307 CA LEU A 20 5.143 -3.884 0.245 1.00 3.14 C ATOM 308 C LEU A 20 6.342 -2.951 0.477 1.00 65.20 C ATOM 309 O LEU A 20 6.421 -1.870 -0.110 1.00 23.42 O ATOM 310 CB LEU A 20 4.257 -3.938 1.505 1.00 24.41 C ATOM 311 CG LEU A 20 2.842 -4.506 1.283 1.00 25.13 C ATOM 312 CD1 LEU A 20 2.224 -4.973 2.598 1.00 14.44 C ATOM 313 CD2 LEU A 20 1.945 -3.466 0.615 1.00 0.22 C ATOM 0 H LEU A 20 5.203 -5.968 0.497 1.00 31.45 H new ATOM 0 HA LEU A 20 4.567 -3.481 -0.588 1.00 3.14 H new ATOM 0 HB2 LEU A 20 4.761 -4.543 2.259 1.00 24.41 H new ATOM 0 HB3 LEU A 20 4.168 -2.931 1.912 1.00 24.41 H new ATOM 0 HG LEU A 20 2.928 -5.369 0.623 1.00 25.13 H new ATOM 0 HD11 LEU A 20 1.226 -5.369 2.411 1.00 14.44 H new ATOM 0 HD12 LEU A 20 2.847 -5.753 3.036 1.00 14.44 H new ATOM 0 HD13 LEU A 20 2.157 -4.132 3.288 1.00 14.44 H new ATOM 0 HD21 LEU A 20 0.950 -3.885 0.466 1.00 0.22 H new ATOM 0 HD22 LEU A 20 1.876 -2.583 1.251 1.00 0.22 H new ATOM 0 HD23 LEU A 20 2.368 -3.186 -0.350 1.00 0.22 H new ATOM 325 N LYS A 21 7.280 -3.388 1.316 1.00 5.33 N ATOM 326 CA LYS A 21 8.479 -2.594 1.630 1.00 72.22 C ATOM 327 C LYS A 21 9.299 -2.265 0.366 1.00 12.22 C ATOM 328 O LYS A 21 9.895 -1.191 0.263 1.00 61.42 O ATOM 329 CB LYS A 21 9.361 -3.347 2.637 1.00 40.44 C ATOM 330 CG LYS A 21 8.687 -3.598 3.983 1.00 51.12 C ATOM 331 CD LYS A 21 9.571 -4.424 4.919 1.00 63.41 C ATOM 332 CE LYS A 21 8.883 -4.686 6.253 1.00 13.22 C ATOM 333 NZ LYS A 21 9.699 -5.551 7.147 1.00 62.14 N ATOM 0 H LYS A 21 7.238 -4.288 1.794 1.00 5.33 H new ATOM 0 HA LYS A 21 8.143 -1.653 2.065 1.00 72.22 H new ATOM 0 HB2 LYS A 21 9.654 -4.304 2.204 1.00 40.44 H new ATOM 0 HB3 LYS A 21 10.276 -2.778 2.800 1.00 40.44 H new ATOM 0 HG2 LYS A 21 8.451 -2.644 4.454 1.00 51.12 H new ATOM 0 HG3 LYS A 21 7.742 -4.117 3.824 1.00 51.12 H new ATOM 0 HD2 LYS A 21 9.818 -5.373 4.444 1.00 63.41 H new ATOM 0 HD3 LYS A 21 10.511 -3.899 5.090 1.00 63.41 H new ATOM 0 HE2 LYS A 21 8.686 -3.736 6.750 1.00 13.22 H new ATOM 0 HE3 LYS A 21 7.917 -5.159 6.075 1.00 13.22 H new ATOM 0 HZ1 LYS A 21 9.191 -5.702 8.042 1.00 62.14 H new ATOM 0 HZ2 LYS A 21 9.866 -6.468 6.685 1.00 62.14 H new ATOM 0 HZ3 LYS A 21 10.611 -5.089 7.340 1.00 62.14 H new ATOM 347 N ILE A 22 9.328 -3.197 -0.589 1.00 22.34 N ATOM 348 CA ILE A 22 10.090 -3.015 -1.837 1.00 42.34 C ATOM 349 C ILE A 22 9.420 -2.008 -2.793 1.00 41.41 C ATOM 350 O ILE A 22 10.094 -1.177 -3.402 1.00 44.13 O ATOM 351 CB ILE A 22 10.274 -4.364 -2.586 1.00 61.41 C ATOM 352 CG1 ILE A 22 10.967 -5.394 -1.679 1.00 73.22 C ATOM 353 CG2 ILE A 22 11.069 -4.164 -3.881 1.00 63.14 C ATOM 354 CD1 ILE A 22 11.111 -6.764 -2.312 1.00 20.13 C ATOM 0 H ILE A 22 8.834 -4.087 -0.527 1.00 22.34 H new ATOM 0 HA ILE A 22 11.062 -2.620 -1.540 1.00 42.34 H new ATOM 0 HB ILE A 22 9.287 -4.745 -2.849 1.00 61.41 H new ATOM 0 HG12 ILE A 22 11.956 -5.022 -1.411 1.00 73.22 H new ATOM 0 HG13 ILE A 22 10.400 -5.489 -0.753 1.00 73.22 H new ATOM 0 HG21 ILE A 22 11.185 -5.122 -4.388 1.00 63.14 H new ATOM 0 HG22 ILE A 22 10.536 -3.471 -4.532 1.00 63.14 H new ATOM 0 HG23 ILE A 22 12.052 -3.757 -3.645 1.00 63.14 H new ATOM 0 HD11 ILE A 22 11.609 -7.437 -1.614 1.00 20.13 H new ATOM 0 HD12 ILE A 22 10.124 -7.158 -2.555 1.00 20.13 H new ATOM 0 HD13 ILE A 22 11.704 -6.683 -3.223 1.00 20.13 H new ATOM 366 N HIS A 23 8.096 -2.090 -2.933 1.00 3.30 N ATOM 367 CA HIS A 23 7.367 -1.241 -3.892 1.00 24.11 C ATOM 368 C HIS A 23 7.056 0.165 -3.339 1.00 43.00 C ATOM 369 O HIS A 23 7.282 1.168 -4.022 1.00 61.01 O ATOM 370 CB HIS A 23 6.066 -1.930 -4.333 1.00 43.43 C ATOM 371 CG HIS A 23 6.279 -3.089 -5.261 1.00 73.33 C ATOM 372 ND1 HIS A 23 5.914 -3.061 -6.588 1.00 4.03 N ATOM 373 CD2 HIS A 23 6.806 -4.320 -5.049 1.00 25.41 C ATOM 374 CE1 HIS A 23 6.201 -4.216 -7.149 1.00 1.15 C ATOM 375 NE2 HIS A 23 6.746 -4.999 -6.240 1.00 4.22 N ATOM 0 H HIS A 23 7.505 -2.729 -2.401 1.00 3.30 H new ATOM 0 HA HIS A 23 8.025 -1.107 -4.751 1.00 24.11 H new ATOM 0 HB2 HIS A 23 5.532 -2.278 -3.449 1.00 43.43 H new ATOM 0 HB3 HIS A 23 5.426 -1.197 -4.824 1.00 43.43 H new ATOM 0 HD2 HIS A 23 7.200 -4.696 -4.116 1.00 25.41 H new ATOM 0 HE1 HIS A 23 6.020 -4.478 -8.181 1.00 1.15 H new ATOM 0 HE2 HIS A 23 7.070 -5.953 -6.396 1.00 4.22 H new ATOM 384 N SER A 24 6.558 0.236 -2.106 1.00 54.32 N ATOM 385 CA SER A 24 6.076 1.509 -1.530 1.00 71.42 C ATOM 386 C SER A 24 7.222 2.476 -1.198 1.00 73.44 C ATOM 387 O SER A 24 7.009 3.687 -1.093 1.00 13.40 O ATOM 388 CB SER A 24 5.254 1.248 -0.261 1.00 3.33 C ATOM 389 OG SER A 24 6.051 0.676 0.762 1.00 22.41 O ATOM 0 H SER A 24 6.474 -0.566 -1.481 1.00 54.32 H new ATOM 0 HA SER A 24 5.451 1.977 -2.291 1.00 71.42 H new ATOM 0 HB2 SER A 24 4.821 2.184 0.093 1.00 3.33 H new ATOM 0 HB3 SER A 24 4.424 0.581 -0.494 1.00 3.33 H new ATOM 0 HG SER A 24 6.337 -0.221 0.491 1.00 22.41 H new ATOM 395 N ARG A 25 8.438 1.945 -1.068 1.00 22.11 N ATOM 396 CA ARG A 25 9.593 2.738 -0.619 1.00 51.24 C ATOM 397 C ARG A 25 9.949 3.904 -1.568 1.00 62.44 C ATOM 398 O ARG A 25 10.867 4.681 -1.282 1.00 33.04 O ATOM 399 CB ARG A 25 10.812 1.829 -0.397 1.00 34.51 C ATOM 400 CG ARG A 25 11.295 1.083 -1.639 1.00 52.04 C ATOM 401 CD ARG A 25 12.485 0.179 -1.315 1.00 52.12 C ATOM 402 NE ARG A 25 12.936 -0.596 -2.473 1.00 11.22 N ATOM 403 CZ ARG A 25 14.002 -1.356 -2.477 1.00 65.50 C ATOM 404 NH1 ARG A 25 14.732 -1.480 -1.414 1.00 44.21 N ATOM 405 NH2 ARG A 25 14.332 -1.997 -3.549 1.00 23.12 N ATOM 0 H ARG A 25 8.653 0.968 -1.267 1.00 22.11 H new ATOM 0 HA ARG A 25 9.302 3.196 0.326 1.00 51.24 H new ATOM 0 HB2 ARG A 25 11.633 2.435 -0.013 1.00 34.51 H new ATOM 0 HB3 ARG A 25 10.566 1.099 0.374 1.00 34.51 H new ATOM 0 HG2 ARG A 25 10.480 0.484 -2.046 1.00 52.04 H new ATOM 0 HG3 ARG A 25 11.579 1.800 -2.409 1.00 52.04 H new ATOM 0 HD2 ARG A 25 13.310 0.789 -0.947 1.00 52.12 H new ATOM 0 HD3 ARG A 25 12.210 -0.503 -0.511 1.00 52.12 H new ATOM 0 HE ARG A 25 12.385 -0.540 -3.330 1.00 11.22 H new ATOM 0 HH11 ARG A 25 14.479 -0.982 -0.560 1.00 44.21 H new ATOM 0 HH12 ARG A 25 15.560 -2.075 -1.431 1.00 44.21 H new ATOM 0 HH21 ARG A 25 13.762 -1.911 -4.391 1.00 23.12 H new ATOM 0 HH22 ARG A 25 15.162 -2.590 -3.554 1.00 23.12 H new ATOM 419 N LYS A 26 9.231 4.037 -2.686 1.00 71.02 N ATOM 420 CA LYS A 26 9.397 5.199 -3.572 1.00 74.41 C ATOM 421 C LYS A 26 8.727 6.442 -2.969 1.00 2.02 C ATOM 422 O LYS A 26 9.303 7.532 -2.939 1.00 44.33 O ATOM 423 CB LYS A 26 8.767 4.948 -4.951 1.00 23.33 C ATOM 424 CG LYS A 26 9.188 3.650 -5.624 1.00 53.14 C ATOM 425 CD LYS A 26 8.576 3.531 -7.021 1.00 70.40 C ATOM 426 CE LYS A 26 8.683 2.117 -7.573 1.00 31.45 C ATOM 427 NZ LYS A 26 7.965 1.139 -6.713 1.00 0.44 N ATOM 0 H LYS A 26 8.534 3.362 -3.000 1.00 71.02 H new ATOM 0 HA LYS A 26 10.469 5.360 -3.681 1.00 74.41 H new ATOM 0 HB2 LYS A 26 7.682 4.949 -4.844 1.00 23.33 H new ATOM 0 HB3 LYS A 26 9.023 5.780 -5.607 1.00 23.33 H new ATOM 0 HG2 LYS A 26 10.275 3.609 -5.695 1.00 53.14 H new ATOM 0 HG3 LYS A 26 8.876 2.802 -5.014 1.00 53.14 H new ATOM 0 HD2 LYS A 26 7.528 3.827 -6.984 1.00 70.40 H new ATOM 0 HD3 LYS A 26 9.079 4.223 -7.697 1.00 70.40 H new ATOM 0 HE2 LYS A 26 8.271 2.087 -8.582 1.00 31.45 H new ATOM 0 HE3 LYS A 26 9.733 1.834 -7.649 1.00 31.45 H new ATOM 0 HZ1 LYS A 26 8.629 0.406 -6.391 1.00 0.44 H new ATOM 0 HZ2 LYS A 26 7.565 1.630 -5.888 1.00 0.44 H new ATOM 0 HZ3 LYS A 26 7.198 0.695 -7.257 1.00 0.44 H new ATOM 441 N MET A 27 7.507 6.250 -2.472 1.00 60.12 N ATOM 442 CA MET A 27 6.638 7.359 -2.063 1.00 51.14 C ATOM 443 C MET A 27 6.983 7.892 -0.667 1.00 11.21 C ATOM 444 O MET A 27 7.596 7.202 0.146 1.00 40.25 O ATOM 445 CB MET A 27 5.173 6.909 -2.096 1.00 32.33 C ATOM 446 CG MET A 27 4.726 6.395 -3.455 1.00 43.20 C ATOM 447 SD MET A 27 3.003 5.868 -3.467 1.00 5.13 S ATOM 448 CE MET A 27 3.018 4.586 -2.211 1.00 0.14 C ATOM 0 H MET A 27 7.092 5.328 -2.341 1.00 60.12 H new ATOM 0 HA MET A 27 6.798 8.173 -2.770 1.00 51.14 H new ATOM 0 HB2 MET A 27 5.025 6.125 -1.354 1.00 32.33 H new ATOM 0 HB3 MET A 27 4.538 7.746 -1.806 1.00 32.33 H new ATOM 0 HG2 MET A 27 4.867 7.178 -4.200 1.00 43.20 H new ATOM 0 HG3 MET A 27 5.360 5.558 -3.749 1.00 43.20 H new ATOM 0 HE1 MET A 27 2.163 3.926 -2.355 1.00 0.14 H new ATOM 0 HE2 MET A 27 3.939 4.009 -2.291 1.00 0.14 H new ATOM 0 HE3 MET A 27 2.961 5.044 -1.223 1.00 0.14 H new ATOM 458 N ASN A 28 6.572 9.128 -0.401 1.00 2.33 N ATOM 459 CA ASN A 28 6.790 9.756 0.905 1.00 31.32 C ATOM 460 C ASN A 28 5.922 9.093 1.988 1.00 32.24 C ATOM 461 O ASN A 28 4.793 9.515 2.241 1.00 21.44 O ATOM 462 CB ASN A 28 6.479 11.257 0.823 1.00 1.04 C ATOM 463 CG ASN A 28 7.238 11.946 -0.296 1.00 43.33 C ATOM 464 OD1 ASN A 28 8.348 11.561 -0.641 1.00 54.21 O ATOM 465 ND2 ASN A 28 6.640 12.963 -0.881 1.00 10.14 N ATOM 0 H ASN A 28 6.084 9.720 -1.073 1.00 2.33 H new ATOM 0 HA ASN A 28 7.836 9.621 1.180 1.00 31.32 H new ATOM 0 HB2 ASN A 28 5.409 11.395 0.671 1.00 1.04 H new ATOM 0 HB3 ASN A 28 6.730 11.729 1.773 1.00 1.04 H new ATOM 0 HD21 ASN A 28 7.102 13.455 -1.646 1.00 10.14 H new ATOM 0 HD22 ASN A 28 5.715 13.259 -0.569 1.00 10.14 H new ATOM 472 N LEU A 29 6.439 8.028 2.594 1.00 5.43 N ATOM 473 CA LEU A 29 5.714 7.307 3.648 1.00 43.25 C ATOM 474 C LEU A 29 5.630 8.147 4.932 1.00 21.35 C ATOM 475 O LEU A 29 6.655 8.565 5.481 1.00 31.44 O ATOM 476 CB LEU A 29 6.397 5.961 3.939 1.00 43.25 C ATOM 477 CG LEU A 29 6.509 5.007 2.734 1.00 24.33 C ATOM 478 CD1 LEU A 29 7.192 3.702 3.137 1.00 15.44 C ATOM 479 CD2 LEU A 29 5.134 4.735 2.125 1.00 25.12 C ATOM 0 H LEU A 29 7.357 7.641 2.377 1.00 5.43 H new ATOM 0 HA LEU A 29 4.700 7.121 3.295 1.00 43.25 H new ATOM 0 HB2 LEU A 29 7.399 6.156 4.322 1.00 43.25 H new ATOM 0 HB3 LEU A 29 5.845 5.456 4.732 1.00 43.25 H new ATOM 0 HG LEU A 29 7.124 5.491 1.976 1.00 24.33 H new ATOM 0 HD11 LEU A 29 7.260 3.044 2.270 1.00 15.44 H new ATOM 0 HD12 LEU A 29 8.194 3.916 3.510 1.00 15.44 H new ATOM 0 HD13 LEU A 29 6.610 3.213 3.919 1.00 15.44 H new ATOM 0 HD21 LEU A 29 5.239 4.059 1.276 1.00 25.12 H new ATOM 0 HD22 LEU A 29 4.488 4.278 2.875 1.00 25.12 H new ATOM 0 HD23 LEU A 29 4.693 5.673 1.789 1.00 25.12 H new ATOM 491 N THR A 30 4.406 8.386 5.404 1.00 64.41 N ATOM 492 CA THR A 30 4.171 9.229 6.587 1.00 62.23 C ATOM 493 C THR A 30 4.907 8.708 7.831 1.00 45.13 C ATOM 494 O THR A 30 5.217 7.518 7.936 1.00 44.13 O ATOM 495 CB THR A 30 2.660 9.340 6.910 1.00 60.35 C ATOM 496 OG1 THR A 30 2.443 10.287 7.970 1.00 40.55 O ATOM 497 CG2 THR A 30 2.078 7.989 7.310 1.00 14.21 C ATOM 0 H THR A 30 3.556 8.008 4.986 1.00 64.41 H new ATOM 0 HA THR A 30 4.565 10.214 6.336 1.00 62.23 H new ATOM 0 HB THR A 30 2.155 9.682 6.007 1.00 60.35 H new ATOM 0 HG1 THR A 30 1.484 10.348 8.163 1.00 40.55 H new ATOM 0 HG21 THR A 30 1.016 8.101 7.530 1.00 14.21 H new ATOM 0 HG22 THR A 30 2.206 7.281 6.491 1.00 14.21 H new ATOM 0 HG23 THR A 30 2.595 7.618 8.195 1.00 14.21 H new ATOM 505 N ARG A 31 5.184 9.609 8.768 1.00 12.40 N ATOM 506 CA ARG A 31 5.904 9.268 9.998 1.00 62.20 C ATOM 507 C ARG A 31 5.095 8.312 10.898 1.00 73.14 C ATOM 508 O ARG A 31 3.989 8.637 11.342 1.00 21.32 O ATOM 509 CB ARG A 31 6.245 10.556 10.758 1.00 13.41 C ATOM 510 CG ARG A 31 7.146 11.504 9.969 1.00 31.22 C ATOM 511 CD ARG A 31 7.255 12.872 10.629 1.00 72.13 C ATOM 512 NE ARG A 31 5.976 13.584 10.634 1.00 15.04 N ATOM 513 CZ ARG A 31 5.795 14.764 11.166 1.00 12.33 C ATOM 514 NH1 ARG A 31 6.772 15.392 11.734 1.00 13.40 N ATOM 515 NH2 ARG A 31 4.631 15.321 11.129 1.00 12.30 N ATOM 0 H ARG A 31 4.919 10.592 8.701 1.00 12.40 H new ATOM 0 HA ARG A 31 6.820 8.746 9.721 1.00 62.20 H new ATOM 0 HB2 ARG A 31 5.321 11.074 11.014 1.00 13.41 H new ATOM 0 HB3 ARG A 31 6.736 10.297 11.696 1.00 13.41 H new ATOM 0 HG2 ARG A 31 8.140 11.066 9.877 1.00 31.22 H new ATOM 0 HG3 ARG A 31 6.754 11.620 8.959 1.00 31.22 H new ATOM 0 HD2 ARG A 31 7.607 12.753 11.654 1.00 72.13 H new ATOM 0 HD3 ARG A 31 8.000 13.469 10.103 1.00 72.13 H new ATOM 0 HE ARG A 31 5.175 13.130 10.194 1.00 15.04 H new ATOM 0 HH11 ARG A 31 7.699 14.967 11.771 1.00 13.40 H new ATOM 0 HH12 ARG A 31 6.616 16.312 12.145 1.00 13.40 H new ATOM 0 HH21 ARG A 31 3.849 14.840 10.684 1.00 12.30 H new ATOM 0 HH22 ARG A 31 4.493 16.242 11.545 1.00 12.30 H new ATOM 529 N GLY A 32 5.660 7.134 11.163 1.00 31.14 N ATOM 530 CA GLY A 32 5.000 6.144 12.013 1.00 3.20 C ATOM 531 C GLY A 32 3.946 5.310 11.287 1.00 42.13 C ATOM 532 O GLY A 32 2.962 4.872 11.894 1.00 34.11 O ATOM 0 H GLY A 32 6.569 6.843 10.803 1.00 31.14 H new ATOM 0 HA2 GLY A 32 5.754 5.476 12.429 1.00 3.20 H new ATOM 0 HA3 GLY A 32 4.529 6.656 12.852 1.00 3.20 H new ATOM 536 N ILE A 33 4.147 5.077 9.993 1.00 41.12 N ATOM 537 CA ILE A 33 3.203 4.285 9.193 1.00 1.12 C ATOM 538 C ILE A 33 3.284 2.780 9.529 1.00 43.43 C ATOM 539 O ILE A 33 4.372 2.203 9.615 1.00 11.42 O ATOM 540 CB ILE A 33 3.443 4.499 7.673 1.00 4.10 C ATOM 541 CG1 ILE A 33 2.415 3.710 6.843 1.00 14.01 C ATOM 542 CG2 ILE A 33 4.873 4.111 7.283 1.00 30.14 C ATOM 543 CD1 ILE A 33 2.531 3.934 5.348 1.00 42.11 C ATOM 0 H ILE A 33 4.953 5.423 9.472 1.00 41.12 H new ATOM 0 HA ILE A 33 2.203 4.636 9.448 1.00 1.12 H new ATOM 0 HB ILE A 33 3.313 5.559 7.457 1.00 4.10 H new ATOM 0 HG12 ILE A 33 2.533 2.647 7.051 1.00 14.01 H new ATOM 0 HG13 ILE A 33 1.412 3.988 7.165 1.00 14.01 H new ATOM 0 HG21 ILE A 33 5.015 4.270 6.214 1.00 30.14 H new ATOM 0 HG22 ILE A 33 5.581 4.726 7.838 1.00 30.14 H new ATOM 0 HG23 ILE A 33 5.042 3.060 7.519 1.00 30.14 H new ATOM 0 HD11 ILE A 33 1.773 3.344 4.832 1.00 42.11 H new ATOM 0 HD12 ILE A 33 2.382 4.991 5.126 1.00 42.11 H new ATOM 0 HD13 ILE A 33 3.521 3.628 5.010 1.00 42.11 H new ATOM 555 N ASN A 34 2.122 2.154 9.721 1.00 2.41 N ATOM 556 CA ASN A 34 2.039 0.719 10.034 1.00 61.22 C ATOM 557 C ASN A 34 1.757 -0.094 8.758 1.00 2.44 C ATOM 558 O ASN A 34 0.709 0.063 8.131 1.00 33.13 O ATOM 559 CB ASN A 34 0.935 0.484 11.077 1.00 70.12 C ATOM 560 CG ASN A 34 0.849 -0.955 11.565 1.00 73.23 C ATOM 561 OD1 ASN A 34 1.179 -1.899 10.856 1.00 61.11 O ATOM 562 ND2 ASN A 34 0.380 -1.132 12.782 1.00 43.31 N ATOM 0 H ASN A 34 1.216 2.619 9.665 1.00 2.41 H new ATOM 0 HA ASN A 34 2.993 0.387 10.444 1.00 61.22 H new ATOM 0 HB2 ASN A 34 1.110 1.138 11.931 1.00 70.12 H new ATOM 0 HB3 ASN A 34 -0.025 0.770 10.647 1.00 70.12 H new ATOM 0 HD21 ASN A 34 0.283 -2.075 13.159 1.00 43.31 H new ATOM 0 HD22 ASN A 34 0.114 -0.326 13.348 1.00 43.31 H new ATOM 569 N LEU A 35 2.693 -0.967 8.387 1.00 12.32 N ATOM 570 CA LEU A 35 2.579 -1.747 7.148 1.00 65.44 C ATOM 571 C LEU A 35 1.993 -3.152 7.385 1.00 12.42 C ATOM 572 O LEU A 35 1.305 -3.690 6.517 1.00 51.35 O ATOM 573 CB LEU A 35 3.949 -1.861 6.461 1.00 60.34 C ATOM 574 CG LEU A 35 4.585 -0.528 6.027 1.00 71.24 C ATOM 575 CD1 LEU A 35 5.950 -0.762 5.380 1.00 72.14 C ATOM 576 CD2 LEU A 35 3.658 0.230 5.077 1.00 0.23 C ATOM 0 H LEU A 35 3.540 -1.154 8.924 1.00 12.32 H new ATOM 0 HA LEU A 35 1.886 -1.211 6.500 1.00 65.44 H new ATOM 0 HB2 LEU A 35 4.635 -2.367 7.140 1.00 60.34 H new ATOM 0 HB3 LEU A 35 3.843 -2.497 5.582 1.00 60.34 H new ATOM 0 HG LEU A 35 4.733 0.083 6.918 1.00 71.24 H new ATOM 0 HD11 LEU A 35 6.380 0.194 5.082 1.00 72.14 H new ATOM 0 HD12 LEU A 35 6.612 -1.250 6.095 1.00 72.14 H new ATOM 0 HD13 LEU A 35 5.832 -1.397 4.502 1.00 72.14 H new ATOM 0 HD21 LEU A 35 4.127 1.169 4.783 1.00 0.23 H new ATOM 0 HD22 LEU A 35 3.471 -0.376 4.190 1.00 0.23 H new ATOM 0 HD23 LEU A 35 2.713 0.438 5.579 1.00 0.23 H new ATOM 588 N ARG A 36 2.258 -3.756 8.550 1.00 40.24 N ATOM 589 CA ARG A 36 1.732 -5.101 8.830 1.00 12.33 C ATOM 590 C ARG A 36 0.199 -5.090 8.865 1.00 14.11 C ATOM 591 O ARG A 36 -0.451 -5.945 8.265 1.00 55.15 O ATOM 592 CB ARG A 36 2.254 -5.676 10.156 1.00 34.24 C ATOM 593 CG ARG A 36 1.830 -7.133 10.359 1.00 71.01 C ATOM 594 CD ARG A 36 2.144 -7.668 11.750 1.00 42.34 C ATOM 595 NE ARG A 36 1.778 -9.083 11.861 1.00 25.43 N ATOM 596 CZ ARG A 36 1.372 -9.671 12.953 1.00 21.22 C ATOM 597 NH1 ARG A 36 1.251 -9.016 14.065 1.00 31.24 N ATOM 598 NH2 ARG A 36 1.085 -10.931 12.923 1.00 65.23 N ATOM 0 H ARG A 36 2.819 -3.349 9.298 1.00 40.24 H new ATOM 0 HA ARG A 36 2.085 -5.739 8.019 1.00 12.33 H new ATOM 0 HB2 ARG A 36 3.342 -5.609 10.176 1.00 34.24 H new ATOM 0 HB3 ARG A 36 1.882 -5.072 10.984 1.00 34.24 H new ATOM 0 HG2 ARG A 36 0.759 -7.220 10.178 1.00 71.01 H new ATOM 0 HG3 ARG A 36 2.330 -7.756 9.617 1.00 71.01 H new ATOM 0 HD2 ARG A 36 3.207 -7.546 11.960 1.00 42.34 H new ATOM 0 HD3 ARG A 36 1.603 -7.088 12.498 1.00 42.34 H new ATOM 0 HE ARG A 36 1.846 -9.653 11.018 1.00 25.43 H new ATOM 0 HH11 ARG A 36 1.475 -8.021 14.098 1.00 31.24 H new ATOM 0 HH12 ARG A 36 0.932 -9.495 14.907 1.00 31.24 H new ATOM 0 HH21 ARG A 36 1.177 -11.454 12.052 1.00 65.23 H new ATOM 0 HH22 ARG A 36 0.767 -11.402 13.770 1.00 65.23 H new ATOM 612 N LYS A 37 -0.368 -4.107 9.567 1.00 33.03 N ATOM 613 CA LYS A 37 -1.824 -3.953 9.665 1.00 45.22 C ATOM 614 C LYS A 37 -2.458 -3.885 8.263 1.00 54.01 C ATOM 615 O LYS A 37 -3.574 -4.354 8.046 1.00 71.10 O ATOM 616 CB LYS A 37 -2.148 -2.693 10.493 1.00 52.42 C ATOM 617 CG LYS A 37 -3.621 -2.501 10.851 1.00 5.24 C ATOM 618 CD LYS A 37 -4.407 -1.809 9.735 1.00 31.12 C ATOM 619 CE LYS A 37 -5.756 -1.310 10.234 1.00 73.13 C ATOM 620 NZ LYS A 37 -6.508 -0.579 9.183 1.00 61.14 N ATOM 0 H LYS A 37 0.161 -3.401 10.079 1.00 33.03 H new ATOM 0 HA LYS A 37 -2.249 -4.821 10.170 1.00 45.22 H new ATOM 0 HB2 LYS A 37 -1.569 -2.728 11.416 1.00 52.42 H new ATOM 0 HB3 LYS A 37 -1.810 -1.818 9.938 1.00 52.42 H new ATOM 0 HG2 LYS A 37 -4.071 -3.472 11.060 1.00 5.24 H new ATOM 0 HG3 LYS A 37 -3.696 -1.911 11.764 1.00 5.24 H new ATOM 0 HD2 LYS A 37 -3.829 -0.971 9.346 1.00 31.12 H new ATOM 0 HD3 LYS A 37 -4.557 -2.504 8.909 1.00 31.12 H new ATOM 0 HE2 LYS A 37 -6.349 -2.156 10.580 1.00 73.13 H new ATOM 0 HE3 LYS A 37 -5.604 -0.655 11.092 1.00 73.13 H new ATOM 0 HZ1 LYS A 37 -7.061 0.186 9.620 1.00 61.14 H new ATOM 0 HZ2 LYS A 37 -5.840 -0.175 8.496 1.00 61.14 H new ATOM 0 HZ3 LYS A 37 -7.151 -1.236 8.696 1.00 61.14 H new ATOM 634 N ILE A 38 -1.725 -3.300 7.316 1.00 74.24 N ATOM 635 CA ILE A 38 -2.138 -3.282 5.909 1.00 25.13 C ATOM 636 C ILE A 38 -2.083 -4.694 5.300 1.00 54.22 C ATOM 637 O ILE A 38 -3.055 -5.170 4.711 1.00 53.25 O ATOM 638 CB ILE A 38 -1.234 -2.337 5.074 1.00 72.15 C ATOM 639 CG1 ILE A 38 -1.298 -0.906 5.628 1.00 44.11 C ATOM 640 CG2 ILE A 38 -1.626 -2.366 3.596 1.00 10.01 C ATOM 641 CD1 ILE A 38 -2.692 -0.319 5.643 1.00 34.13 C ATOM 0 H ILE A 38 -0.838 -2.830 7.497 1.00 74.24 H new ATOM 0 HA ILE A 38 -3.164 -2.916 5.880 1.00 25.13 H new ATOM 0 HB ILE A 38 -0.206 -2.691 5.153 1.00 72.15 H new ATOM 0 HG12 ILE A 38 -0.901 -0.901 6.643 1.00 44.11 H new ATOM 0 HG13 ILE A 38 -0.650 -0.265 5.029 1.00 44.11 H new ATOM 0 HG21 ILE A 38 -0.976 -1.695 3.034 1.00 10.01 H new ATOM 0 HG22 ILE A 38 -1.520 -3.380 3.211 1.00 10.01 H new ATOM 0 HG23 ILE A 38 -2.662 -2.044 3.488 1.00 10.01 H new ATOM 0 HD11 ILE A 38 -2.656 0.693 6.047 1.00 34.13 H new ATOM 0 HD12 ILE A 38 -3.086 -0.290 4.627 1.00 34.13 H new ATOM 0 HD13 ILE A 38 -3.340 -0.936 6.266 1.00 34.13 H new ATOM 653 N ALA A 39 -0.941 -5.359 5.471 1.00 72.01 N ATOM 654 CA ALA A 39 -0.732 -6.713 4.946 1.00 65.11 C ATOM 655 C ALA A 39 -1.784 -7.702 5.473 1.00 4.54 C ATOM 656 O ALA A 39 -2.285 -8.546 4.728 1.00 31.02 O ATOM 657 CB ALA A 39 0.673 -7.196 5.296 1.00 30.10 C ATOM 0 H ALA A 39 -0.138 -4.980 5.973 1.00 72.01 H new ATOM 0 HA ALA A 39 -0.841 -6.670 3.862 1.00 65.11 H new ATOM 0 HB1 ALA A 39 0.820 -8.202 4.903 1.00 30.10 H new ATOM 0 HB2 ALA A 39 1.409 -6.523 4.856 1.00 30.10 H new ATOM 0 HB3 ALA A 39 0.794 -7.208 6.379 1.00 30.10 H new ATOM 663 N GLU A 40 -2.123 -7.587 6.758 1.00 62.04 N ATOM 664 CA GLU A 40 -3.124 -8.462 7.384 1.00 1.14 C ATOM 665 C GLU A 40 -4.505 -8.308 6.721 1.00 42.32 C ATOM 666 O GLU A 40 -5.330 -9.222 6.760 1.00 13.00 O ATOM 667 CB GLU A 40 -3.230 -8.163 8.886 1.00 61.50 C ATOM 668 CG GLU A 40 -1.937 -8.402 9.661 1.00 51.12 C ATOM 669 CD GLU A 40 -2.120 -8.250 11.163 1.00 72.13 C ATOM 670 OE1 GLU A 40 -1.964 -7.123 11.681 1.00 54.31 O ATOM 671 OE2 GLU A 40 -2.435 -9.260 11.831 1.00 21.41 O ATOM 0 H GLU A 40 -1.719 -6.895 7.390 1.00 62.04 H new ATOM 0 HA GLU A 40 -2.795 -9.491 7.243 1.00 1.14 H new ATOM 0 HB2 GLU A 40 -3.534 -7.125 9.018 1.00 61.50 H new ATOM 0 HB3 GLU A 40 -4.018 -8.783 9.314 1.00 61.50 H new ATOM 0 HG2 GLU A 40 -1.567 -9.404 9.443 1.00 51.12 H new ATOM 0 HG3 GLU A 40 -1.177 -7.700 9.318 1.00 51.12 H new ATOM 678 N LEU A 41 -4.748 -7.150 6.109 1.00 52.33 N ATOM 679 CA LEU A 41 -6.013 -6.892 5.410 1.00 63.22 C ATOM 680 C LEU A 41 -5.977 -7.411 3.962 1.00 1.40 C ATOM 681 O LEU A 41 -6.911 -7.182 3.189 1.00 54.13 O ATOM 682 CB LEU A 41 -6.325 -5.386 5.421 1.00 31.40 C ATOM 683 CG LEU A 41 -6.538 -4.767 6.813 1.00 74.50 C ATOM 684 CD1 LEU A 41 -6.814 -3.270 6.701 1.00 2.13 C ATOM 685 CD2 LEU A 41 -7.676 -5.473 7.549 1.00 41.02 C ATOM 0 H LEU A 41 -4.087 -6.373 6.081 1.00 52.33 H new ATOM 0 HA LEU A 41 -6.800 -7.430 5.938 1.00 63.22 H new ATOM 0 HB2 LEU A 41 -5.507 -4.859 4.929 1.00 31.40 H new ATOM 0 HB3 LEU A 41 -7.221 -5.213 4.824 1.00 31.40 H new ATOM 0 HG LEU A 41 -5.623 -4.902 7.390 1.00 74.50 H new ATOM 0 HD11 LEU A 41 -6.962 -2.852 7.697 1.00 2.13 H new ATOM 0 HD12 LEU A 41 -5.967 -2.779 6.223 1.00 2.13 H new ATOM 0 HD13 LEU A 41 -7.711 -3.109 6.103 1.00 2.13 H new ATOM 0 HD21 LEU A 41 -7.810 -5.020 8.531 1.00 41.02 H new ATOM 0 HD22 LEU A 41 -8.597 -5.374 6.975 1.00 41.02 H new ATOM 0 HD23 LEU A 41 -7.433 -6.529 7.667 1.00 41.02 H new ATOM 697 N MET A 42 -4.897 -8.113 3.602 1.00 33.12 N ATOM 698 CA MET A 42 -4.745 -8.685 2.255 1.00 73.34 C ATOM 699 C MET A 42 -4.752 -10.231 2.296 1.00 52.13 C ATOM 700 O MET A 42 -3.692 -10.866 2.295 1.00 0.01 O ATOM 701 CB MET A 42 -3.436 -8.187 1.616 1.00 11.32 C ATOM 702 CG MET A 42 -3.259 -6.674 1.664 1.00 63.30 C ATOM 703 SD MET A 42 -1.699 -6.123 0.940 1.00 71.14 S ATOM 704 CE MET A 42 -1.942 -6.547 -0.784 1.00 1.03 C ATOM 0 H MET A 42 -4.112 -8.300 4.225 1.00 33.12 H new ATOM 0 HA MET A 42 -5.593 -8.357 1.653 1.00 73.34 H new ATOM 0 HB2 MET A 42 -2.594 -8.657 2.124 1.00 11.32 H new ATOM 0 HB3 MET A 42 -3.404 -8.513 0.577 1.00 11.32 H new ATOM 0 HG2 MET A 42 -4.086 -6.200 1.135 1.00 63.30 H new ATOM 0 HG3 MET A 42 -3.310 -6.340 2.700 1.00 63.30 H new ATOM 0 HE1 MET A 42 -1.538 -5.754 -1.414 1.00 1.03 H new ATOM 0 HE2 MET A 42 -1.429 -7.483 -1.004 1.00 1.03 H new ATOM 0 HE3 MET A 42 -3.007 -6.662 -0.984 1.00 1.03 H new ATOM 714 N PRO A 43 -5.948 -10.860 2.353 1.00 50.04 N ATOM 715 CA PRO A 43 -6.077 -12.325 2.392 1.00 40.34 C ATOM 716 C PRO A 43 -5.838 -12.975 1.018 1.00 31.03 C ATOM 717 O PRO A 43 -6.663 -12.851 0.109 1.00 4.13 O ATOM 718 CB PRO A 43 -7.532 -12.557 2.858 1.00 51.03 C ATOM 719 CG PRO A 43 -8.087 -11.201 3.180 1.00 65.41 C ATOM 720 CD PRO A 43 -7.266 -10.213 2.400 1.00 45.21 C ATOM 0 HA PRO A 43 -5.334 -12.775 3.050 1.00 40.34 H new ATOM 0 HB2 PRO A 43 -8.118 -13.043 2.078 1.00 51.03 H new ATOM 0 HB3 PRO A 43 -7.562 -13.208 3.732 1.00 51.03 H new ATOM 0 HG2 PRO A 43 -9.139 -11.136 2.904 1.00 65.41 H new ATOM 0 HG3 PRO A 43 -8.025 -11.000 4.249 1.00 65.41 H new ATOM 0 HD2 PRO A 43 -7.672 -10.046 1.402 1.00 45.21 H new ATOM 0 HD3 PRO A 43 -7.224 -9.242 2.893 1.00 45.21 H new ATOM 728 N GLY A 44 -4.708 -13.664 0.874 1.00 4.32 N ATOM 729 CA GLY A 44 -4.380 -14.314 -0.393 1.00 23.54 C ATOM 730 C GLY A 44 -3.996 -13.323 -1.488 1.00 73.40 C ATOM 731 O GLY A 44 -4.584 -13.317 -2.573 1.00 60.11 O ATOM 0 H GLY A 44 -4.012 -13.786 1.609 1.00 4.32 H new ATOM 0 HA2 GLY A 44 -3.556 -15.010 -0.236 1.00 23.54 H new ATOM 0 HA3 GLY A 44 -5.235 -14.902 -0.726 1.00 23.54 H new ATOM 735 N ALA A 45 -3.004 -12.482 -1.200 1.00 2.35 N ATOM 736 CA ALA A 45 -2.534 -11.472 -2.155 1.00 3.01 C ATOM 737 C ALA A 45 -1.117 -11.786 -2.658 1.00 10.44 C ATOM 738 O ALA A 45 -0.282 -12.304 -1.917 1.00 71.52 O ATOM 739 CB ALA A 45 -2.570 -10.089 -1.516 1.00 54.44 C ATOM 0 H ALA A 45 -2.506 -12.478 -0.310 1.00 2.35 H new ATOM 0 HA ALA A 45 -3.204 -11.489 -3.015 1.00 3.01 H new ATOM 0 HB1 ALA A 45 -2.219 -9.347 -2.234 1.00 54.44 H new ATOM 0 HB2 ALA A 45 -3.592 -9.852 -1.219 1.00 54.44 H new ATOM 0 HB3 ALA A 45 -1.925 -10.077 -0.637 1.00 54.44 H new ATOM 745 N SER A 46 -0.856 -11.462 -3.922 1.00 34.44 N ATOM 746 CA SER A 46 0.461 -11.691 -4.534 1.00 1.14 C ATOM 747 C SER A 46 1.085 -10.376 -5.026 1.00 73.42 C ATOM 748 O SER A 46 0.561 -9.291 -4.764 1.00 73.50 O ATOM 749 CB SER A 46 0.340 -12.689 -5.695 1.00 61.32 C ATOM 750 OG SER A 46 -0.159 -13.945 -5.254 1.00 25.21 O ATOM 0 H SER A 46 -1.539 -11.038 -4.549 1.00 34.44 H new ATOM 0 HA SER A 46 1.118 -12.109 -3.771 1.00 1.14 H new ATOM 0 HB2 SER A 46 -0.322 -12.281 -6.459 1.00 61.32 H new ATOM 0 HB3 SER A 46 1.316 -12.827 -6.160 1.00 61.32 H new ATOM 0 HG SER A 46 -0.226 -14.557 -6.017 1.00 25.21 H new ATOM 756 N GLY A 47 2.196 -10.483 -5.758 1.00 12.25 N ATOM 757 CA GLY A 47 2.958 -9.309 -6.179 1.00 20.11 C ATOM 758 C GLY A 47 2.155 -8.251 -6.941 1.00 4.13 C ATOM 759 O GLY A 47 2.308 -7.050 -6.691 1.00 64.43 O ATOM 0 H GLY A 47 2.587 -11.372 -6.071 1.00 12.25 H new ATOM 0 HA2 GLY A 47 3.396 -8.844 -5.296 1.00 20.11 H new ATOM 0 HA3 GLY A 47 3.784 -9.638 -6.809 1.00 20.11 H new ATOM 763 N ALA A 48 1.310 -8.680 -7.879 1.00 20.22 N ATOM 764 CA ALA A 48 0.518 -7.740 -8.685 1.00 64.31 C ATOM 765 C ALA A 48 -0.470 -6.940 -7.821 1.00 23.33 C ATOM 766 O ALA A 48 -0.609 -5.726 -7.988 1.00 43.34 O ATOM 767 CB ALA A 48 -0.221 -8.474 -9.796 1.00 72.35 C ATOM 0 H ALA A 48 1.154 -9.663 -8.101 1.00 20.22 H new ATOM 0 HA ALA A 48 1.213 -7.031 -9.134 1.00 64.31 H new ATOM 0 HB1 ALA A 48 -0.801 -7.760 -10.381 1.00 72.35 H new ATOM 0 HB2 ALA A 48 0.499 -8.973 -10.444 1.00 72.35 H new ATOM 0 HB3 ALA A 48 -0.891 -9.215 -9.360 1.00 72.35 H new ATOM 773 N GLU A 49 -1.141 -7.624 -6.892 1.00 44.32 N ATOM 774 CA GLU A 49 -2.074 -6.971 -5.965 1.00 14.22 C ATOM 775 C GLU A 49 -1.356 -5.916 -5.108 1.00 13.10 C ATOM 776 O GLU A 49 -1.839 -4.795 -4.949 1.00 54.35 O ATOM 777 CB GLU A 49 -2.758 -8.010 -5.052 1.00 31.41 C ATOM 778 CG GLU A 49 -3.690 -8.987 -5.778 1.00 35.14 C ATOM 779 CD GLU A 49 -2.952 -10.004 -6.641 1.00 21.24 C ATOM 780 OE1 GLU A 49 -2.700 -9.721 -7.831 1.00 12.15 O ATOM 781 OE2 GLU A 49 -2.618 -11.091 -6.131 1.00 73.02 O ATOM 0 H GLU A 49 -1.057 -8.632 -6.760 1.00 44.32 H new ATOM 0 HA GLU A 49 -2.836 -6.472 -6.564 1.00 14.22 H new ATOM 0 HB2 GLU A 49 -1.988 -8.581 -4.534 1.00 31.41 H new ATOM 0 HB3 GLU A 49 -3.330 -7.482 -4.289 1.00 31.41 H new ATOM 0 HG2 GLU A 49 -4.293 -9.517 -5.041 1.00 35.14 H new ATOM 0 HG3 GLU A 49 -4.379 -8.421 -6.406 1.00 35.14 H new ATOM 788 N VAL A 50 -0.198 -6.287 -4.561 1.00 3.24 N ATOM 789 CA VAL A 50 0.628 -5.354 -3.782 1.00 31.34 C ATOM 790 C VAL A 50 1.023 -4.124 -4.616 1.00 21.51 C ATOM 791 O VAL A 50 1.004 -2.991 -4.128 1.00 73.12 O ATOM 792 CB VAL A 50 1.911 -6.044 -3.256 1.00 21.41 C ATOM 793 CG1 VAL A 50 2.793 -5.054 -2.498 1.00 34.12 C ATOM 794 CG2 VAL A 50 1.559 -7.242 -2.374 1.00 70.32 C ATOM 0 H VAL A 50 0.192 -7.226 -4.641 1.00 3.24 H new ATOM 0 HA VAL A 50 0.023 -5.030 -2.935 1.00 31.34 H new ATOM 0 HB VAL A 50 2.475 -6.407 -4.115 1.00 21.41 H new ATOM 0 HG11 VAL A 50 3.687 -5.564 -2.139 1.00 34.12 H new ATOM 0 HG12 VAL A 50 3.082 -4.240 -3.163 1.00 34.12 H new ATOM 0 HG13 VAL A 50 2.241 -4.650 -1.650 1.00 34.12 H new ATOM 0 HG21 VAL A 50 2.475 -7.712 -2.016 1.00 70.32 H new ATOM 0 HG22 VAL A 50 0.967 -6.906 -1.523 1.00 70.32 H new ATOM 0 HG23 VAL A 50 0.984 -7.964 -2.954 1.00 70.32 H new ATOM 804 N LYS A 51 1.389 -4.356 -5.877 1.00 11.41 N ATOM 805 CA LYS A 51 1.716 -3.262 -6.797 1.00 21.43 C ATOM 806 C LYS A 51 0.500 -2.354 -7.016 1.00 52.55 C ATOM 807 O LYS A 51 0.628 -1.128 -7.049 1.00 21.22 O ATOM 808 CB LYS A 51 2.212 -3.814 -8.141 1.00 33.51 C ATOM 809 CG LYS A 51 2.575 -2.730 -9.152 1.00 13.04 C ATOM 810 CD LYS A 51 3.064 -3.316 -10.474 1.00 40.32 C ATOM 811 CE LYS A 51 3.359 -2.223 -11.495 1.00 12.02 C ATOM 812 NZ LYS A 51 3.803 -2.778 -12.803 1.00 32.42 N ATOM 0 H LYS A 51 1.467 -5.287 -6.285 1.00 11.41 H new ATOM 0 HA LYS A 51 2.514 -2.671 -6.347 1.00 21.43 H new ATOM 0 HB2 LYS A 51 3.085 -4.442 -7.966 1.00 33.51 H new ATOM 0 HB3 LYS A 51 1.440 -4.453 -8.569 1.00 33.51 H new ATOM 0 HG2 LYS A 51 1.704 -2.100 -9.335 1.00 13.04 H new ATOM 0 HG3 LYS A 51 3.350 -2.088 -8.732 1.00 13.04 H new ATOM 0 HD2 LYS A 51 3.964 -3.906 -10.301 1.00 40.32 H new ATOM 0 HD3 LYS A 51 2.310 -3.994 -10.873 1.00 40.32 H new ATOM 0 HE2 LYS A 51 2.465 -1.617 -11.644 1.00 12.02 H new ATOM 0 HE3 LYS A 51 4.131 -1.561 -11.103 1.00 12.02 H new ATOM 0 HZ1 LYS A 51 3.992 -1.998 -13.465 1.00 32.42 H new ATOM 0 HZ2 LYS A 51 4.671 -3.335 -12.667 1.00 32.42 H new ATOM 0 HZ3 LYS A 51 3.057 -3.389 -13.192 1.00 32.42 H new ATOM 826 N GLY A 52 -0.677 -2.960 -7.160 1.00 35.20 N ATOM 827 CA GLY A 52 -1.909 -2.190 -7.302 1.00 74.13 C ATOM 828 C GLY A 52 -2.184 -1.302 -6.094 1.00 50.45 C ATOM 829 O GLY A 52 -2.516 -0.123 -6.236 1.00 3.34 O ATOM 0 H GLY A 52 -0.803 -3.972 -7.181 1.00 35.20 H new ATOM 0 HA2 GLY A 52 -1.846 -1.571 -8.197 1.00 74.13 H new ATOM 0 HA3 GLY A 52 -2.746 -2.873 -7.445 1.00 74.13 H new ATOM 833 N VAL A 53 -2.033 -1.875 -4.899 1.00 71.00 N ATOM 834 CA VAL A 53 -2.190 -1.127 -3.648 1.00 23.04 C ATOM 835 C VAL A 53 -1.211 0.056 -3.579 1.00 2.53 C ATOM 836 O VAL A 53 -1.608 1.194 -3.322 1.00 12.00 O ATOM 837 CB VAL A 53 -1.972 -2.044 -2.417 1.00 62.34 C ATOM 838 CG1 VAL A 53 -2.064 -1.251 -1.111 1.00 61.10 C ATOM 839 CG2 VAL A 53 -2.975 -3.200 -2.426 1.00 61.21 C ATOM 0 H VAL A 53 -1.801 -2.860 -4.770 1.00 71.00 H new ATOM 0 HA VAL A 53 -3.210 -0.744 -3.631 1.00 23.04 H new ATOM 0 HB VAL A 53 -0.966 -2.460 -2.480 1.00 62.34 H new ATOM 0 HG11 VAL A 53 -1.907 -1.922 -0.266 1.00 61.10 H new ATOM 0 HG12 VAL A 53 -1.301 -0.473 -1.103 1.00 61.10 H new ATOM 0 HG13 VAL A 53 -3.050 -0.793 -1.032 1.00 61.10 H new ATOM 0 HG21 VAL A 53 -2.808 -3.834 -1.555 1.00 61.21 H new ATOM 0 HG22 VAL A 53 -3.989 -2.802 -2.396 1.00 61.21 H new ATOM 0 HG23 VAL A 53 -2.843 -3.789 -3.334 1.00 61.21 H new ATOM 849 N CYS A 54 0.071 -0.223 -3.824 1.00 5.13 N ATOM 850 CA CYS A 54 1.115 0.813 -3.793 1.00 64.33 C ATOM 851 C CYS A 54 0.853 1.919 -4.826 1.00 2.24 C ATOM 852 O CYS A 54 1.009 3.108 -4.536 1.00 20.32 O ATOM 853 CB CYS A 54 2.492 0.190 -4.052 1.00 13.41 C ATOM 854 SG CYS A 54 3.860 1.375 -4.022 1.00 32.21 S ATOM 0 H CYS A 54 0.415 -1.157 -4.047 1.00 5.13 H new ATOM 0 HA CYS A 54 1.095 1.262 -2.800 1.00 64.33 H new ATOM 0 HB2 CYS A 54 2.677 -0.580 -3.303 1.00 13.41 H new ATOM 0 HB3 CYS A 54 2.477 -0.306 -5.022 1.00 13.41 H new ATOM 0 HG CYS A 54 3.398 2.576 -4.206 1.00 32.21 H new ATOM 860 N THR A 55 0.447 1.523 -6.033 1.00 44.12 N ATOM 861 CA THR A 55 0.190 2.482 -7.115 1.00 64.01 C ATOM 862 C THR A 55 -1.019 3.375 -6.802 1.00 62.45 C ATOM 863 O THR A 55 -0.923 4.602 -6.855 1.00 12.44 O ATOM 864 CB THR A 55 -0.044 1.766 -8.469 1.00 64.42 C ATOM 865 OG1 THR A 55 1.064 0.899 -8.769 1.00 51.42 O ATOM 866 CG2 THR A 55 -0.221 2.776 -9.601 1.00 63.41 C ATOM 0 H THR A 55 0.289 0.548 -6.288 1.00 44.12 H new ATOM 0 HA THR A 55 1.081 3.105 -7.193 1.00 64.01 H new ATOM 0 HB THR A 55 -0.957 1.176 -8.383 1.00 64.42 H new ATOM 0 HG1 THR A 55 0.979 0.070 -8.254 1.00 51.42 H new ATOM 0 HG21 THR A 55 -0.384 2.246 -10.539 1.00 63.41 H new ATOM 0 HG22 THR A 55 -1.081 3.412 -9.390 1.00 63.41 H new ATOM 0 HG23 THR A 55 0.675 3.392 -9.683 1.00 63.41 H new ATOM 874 N GLU A 56 -2.153 2.762 -6.463 1.00 22.30 N ATOM 875 CA GLU A 56 -3.361 3.522 -6.121 1.00 64.23 C ATOM 876 C GLU A 56 -3.148 4.404 -4.884 1.00 22.41 C ATOM 877 O GLU A 56 -3.652 5.525 -4.831 1.00 44.10 O ATOM 878 CB GLU A 56 -4.566 2.589 -5.910 1.00 33.35 C ATOM 879 CG GLU A 56 -5.239 2.149 -7.209 1.00 32.44 C ATOM 880 CD GLU A 56 -5.764 3.329 -8.021 1.00 1.54 C ATOM 881 OE1 GLU A 56 -6.680 4.030 -7.538 1.00 11.41 O ATOM 882 OE2 GLU A 56 -5.272 3.561 -9.142 1.00 54.11 O ATOM 0 H GLU A 56 -2.263 1.749 -6.417 1.00 22.30 H new ATOM 0 HA GLU A 56 -3.574 4.176 -6.967 1.00 64.23 H new ATOM 0 HB2 GLU A 56 -4.238 1.705 -5.364 1.00 33.35 H new ATOM 0 HB3 GLU A 56 -5.301 3.096 -5.284 1.00 33.35 H new ATOM 0 HG2 GLU A 56 -4.526 1.585 -7.811 1.00 32.44 H new ATOM 0 HG3 GLU A 56 -6.064 1.475 -6.977 1.00 32.44 H new ATOM 889 N ALA A 57 -2.398 3.903 -3.899 1.00 11.54 N ATOM 890 CA ALA A 57 -2.062 4.693 -2.704 1.00 73.41 C ATOM 891 C ALA A 57 -1.396 6.022 -3.090 1.00 14.50 C ATOM 892 O ALA A 57 -1.774 7.088 -2.596 1.00 11.35 O ATOM 893 CB ALA A 57 -1.151 3.896 -1.774 1.00 74.33 C ATOM 0 H ALA A 57 -2.012 2.959 -3.902 1.00 11.54 H new ATOM 0 HA ALA A 57 -2.990 4.917 -2.178 1.00 73.41 H new ATOM 0 HB1 ALA A 57 -0.913 4.496 -0.896 1.00 74.33 H new ATOM 0 HB2 ALA A 57 -1.658 2.983 -1.463 1.00 74.33 H new ATOM 0 HB3 ALA A 57 -0.231 3.639 -2.298 1.00 74.33 H new ATOM 899 N GLY A 58 -0.415 5.949 -3.990 1.00 3.24 N ATOM 900 CA GLY A 58 0.220 7.152 -4.511 1.00 30.52 C ATOM 901 C GLY A 58 -0.743 8.018 -5.313 1.00 22.00 C ATOM 902 O GLY A 58 -0.730 9.247 -5.205 1.00 0.14 O ATOM 0 H GLY A 58 -0.048 5.076 -4.369 1.00 3.24 H new ATOM 0 HA2 GLY A 58 0.623 7.734 -3.682 1.00 30.52 H new ATOM 0 HA3 GLY A 58 1.062 6.870 -5.143 1.00 30.52 H new ATOM 906 N MET A 59 -1.590 7.379 -6.118 1.00 65.22 N ATOM 907 CA MET A 59 -2.580 8.104 -6.916 1.00 41.55 C ATOM 908 C MET A 59 -3.638 8.789 -6.033 1.00 12.32 C ATOM 909 O MET A 59 -4.186 9.823 -6.414 1.00 34.55 O ATOM 910 CB MET A 59 -3.260 7.177 -7.932 1.00 50.44 C ATOM 911 CG MET A 59 -2.307 6.584 -8.968 1.00 13.25 C ATOM 912 SD MET A 59 -3.080 6.401 -10.588 1.00 53.43 S ATOM 913 CE MET A 59 -3.396 8.124 -10.978 1.00 52.42 C ATOM 0 H MET A 59 -1.612 6.366 -6.236 1.00 65.22 H new ATOM 0 HA MET A 59 -2.041 8.881 -7.458 1.00 41.55 H new ATOM 0 HB2 MET A 59 -3.749 6.364 -7.396 1.00 50.44 H new ATOM 0 HB3 MET A 59 -4.042 7.733 -8.449 1.00 50.44 H new ATOM 0 HG2 MET A 59 -1.429 7.223 -9.058 1.00 13.25 H new ATOM 0 HG3 MET A 59 -1.959 5.611 -8.622 1.00 13.25 H new ATOM 0 HE1 MET A 59 -3.306 8.276 -12.054 1.00 52.42 H new ATOM 0 HE2 MET A 59 -4.403 8.391 -10.657 1.00 52.42 H new ATOM 0 HE3 MET A 59 -2.671 8.753 -10.461 1.00 52.42 H new ATOM 923 N TYR A 60 -3.943 8.206 -4.870 1.00 75.23 N ATOM 924 CA TYR A 60 -4.836 8.853 -3.898 1.00 0.30 C ATOM 925 C TYR A 60 -4.225 10.168 -3.410 1.00 34.20 C ATOM 926 O TYR A 60 -4.885 11.209 -3.398 1.00 74.12 O ATOM 927 CB TYR A 60 -5.113 7.937 -2.695 1.00 13.24 C ATOM 928 CG TYR A 60 -6.033 6.764 -2.992 1.00 63.44 C ATOM 929 CD1 TYR A 60 -7.255 6.957 -3.631 1.00 73.22 C ATOM 930 CD2 TYR A 60 -5.686 5.465 -2.625 1.00 5.11 C ATOM 931 CE1 TYR A 60 -8.097 5.895 -3.897 1.00 34.43 C ATOM 932 CE2 TYR A 60 -6.526 4.401 -2.889 1.00 1.21 C ATOM 933 CZ TYR A 60 -7.728 4.620 -3.525 1.00 31.23 C ATOM 934 OH TYR A 60 -8.568 3.564 -3.786 1.00 60.14 O ATOM 0 H TYR A 60 -3.589 7.295 -4.578 1.00 75.23 H new ATOM 0 HA TYR A 60 -5.781 9.055 -4.402 1.00 0.30 H new ATOM 0 HB2 TYR A 60 -4.164 7.552 -2.322 1.00 13.24 H new ATOM 0 HB3 TYR A 60 -5.552 8.533 -1.895 1.00 13.24 H new ATOM 0 HD1 TYR A 60 -7.549 7.954 -3.924 1.00 73.22 H new ATOM 0 HD2 TYR A 60 -4.745 5.288 -2.126 1.00 5.11 H new ATOM 0 HE1 TYR A 60 -9.041 6.063 -4.394 1.00 34.43 H new ATOM 0 HE2 TYR A 60 -6.241 3.401 -2.598 1.00 1.21 H new ATOM 0 HH TYR A 60 -8.160 2.734 -3.462 1.00 60.14 H new ATOM 944 N ALA A 61 -2.954 10.105 -3.014 1.00 33.34 N ATOM 945 CA ALA A 61 -2.207 11.298 -2.612 1.00 73.45 C ATOM 946 C ALA A 61 -2.244 12.370 -3.711 1.00 55.32 C ATOM 947 O ALA A 61 -2.668 13.500 -3.475 1.00 54.45 O ATOM 948 CB ALA A 61 -0.765 10.929 -2.273 1.00 22.23 C ATOM 0 H ALA A 61 -2.418 9.238 -2.963 1.00 33.34 H new ATOM 0 HA ALA A 61 -2.682 11.713 -1.723 1.00 73.45 H new ATOM 0 HB1 ALA A 61 -0.220 11.825 -1.976 1.00 22.23 H new ATOM 0 HB2 ALA A 61 -0.756 10.210 -1.453 1.00 22.23 H new ATOM 0 HB3 ALA A 61 -0.287 10.488 -3.148 1.00 22.23 H new ATOM 954 N LEU A 62 -1.835 11.995 -4.924 1.00 10.04 N ATOM 955 CA LEU A 62 -1.799 12.930 -6.057 1.00 20.01 C ATOM 956 C LEU A 62 -3.171 13.577 -6.316 1.00 2.34 C ATOM 957 O LEU A 62 -3.293 14.803 -6.365 1.00 54.14 O ATOM 958 CB LEU A 62 -1.316 12.211 -7.327 1.00 30.04 C ATOM 959 CG LEU A 62 0.120 11.659 -7.268 1.00 52.24 C ATOM 960 CD1 LEU A 62 0.468 10.923 -8.562 1.00 12.02 C ATOM 961 CD2 LEU A 62 1.120 12.784 -6.991 1.00 63.21 C ATOM 0 H LEU A 62 -1.523 11.051 -5.150 1.00 10.04 H new ATOM 0 HA LEU A 62 -1.099 13.725 -5.797 1.00 20.01 H new ATOM 0 HB2 LEU A 62 -1.996 11.386 -7.538 1.00 30.04 H new ATOM 0 HB3 LEU A 62 -1.387 12.904 -8.165 1.00 30.04 H new ATOM 0 HG LEU A 62 0.180 10.945 -6.447 1.00 52.24 H new ATOM 0 HD11 LEU A 62 1.487 10.541 -8.500 1.00 12.02 H new ATOM 0 HD12 LEU A 62 -0.223 10.093 -8.705 1.00 12.02 H new ATOM 0 HD13 LEU A 62 0.389 11.610 -9.404 1.00 12.02 H new ATOM 0 HD21 LEU A 62 2.129 12.373 -6.953 1.00 63.21 H new ATOM 0 HD22 LEU A 62 1.061 13.527 -7.786 1.00 63.21 H new ATOM 0 HD23 LEU A 62 0.884 13.254 -6.036 1.00 63.21 H new ATOM 973 N ARG A 63 -4.206 12.747 -6.456 1.00 25.13 N ATOM 974 CA ARG A 63 -5.547 13.233 -6.808 1.00 33.21 C ATOM 975 C ARG A 63 -6.135 14.138 -5.706 1.00 72.52 C ATOM 976 O ARG A 63 -6.995 14.981 -5.971 1.00 4.23 O ATOM 977 CB ARG A 63 -6.490 12.046 -7.099 1.00 54.32 C ATOM 978 CG ARG A 63 -6.977 11.300 -5.858 1.00 40.31 C ATOM 979 CD ARG A 63 -7.796 10.056 -6.215 1.00 34.25 C ATOM 980 NE ARG A 63 -6.955 8.910 -6.575 1.00 51.44 N ATOM 981 CZ ARG A 63 -7.413 7.770 -7.033 1.00 60.13 C ATOM 982 NH1 ARG A 63 -8.664 7.638 -7.353 1.00 12.35 N ATOM 983 NH2 ARG A 63 -6.606 6.768 -7.196 1.00 11.42 N ATOM 0 H ARG A 63 -4.145 11.736 -6.332 1.00 25.13 H new ATOM 0 HA ARG A 63 -5.454 13.838 -7.710 1.00 33.21 H new ATOM 0 HB2 ARG A 63 -7.356 12.414 -7.649 1.00 54.32 H new ATOM 0 HB3 ARG A 63 -5.974 11.341 -7.751 1.00 54.32 H new ATOM 0 HG2 ARG A 63 -6.119 11.007 -5.253 1.00 40.31 H new ATOM 0 HG3 ARG A 63 -7.584 11.970 -5.248 1.00 40.31 H new ATOM 0 HD2 ARG A 63 -8.428 9.786 -5.369 1.00 34.25 H new ATOM 0 HD3 ARG A 63 -8.460 10.290 -7.047 1.00 34.25 H new ATOM 0 HE ARG A 63 -5.946 9.006 -6.461 1.00 51.44 H new ATOM 0 HH11 ARG A 63 -9.303 8.426 -7.249 1.00 12.35 H new ATOM 0 HH12 ARG A 63 -9.008 6.746 -7.708 1.00 12.35 H new ATOM 0 HH21 ARG A 63 -5.617 6.868 -6.968 1.00 11.42 H new ATOM 0 HH22 ARG A 63 -6.960 5.880 -7.552 1.00 11.42 H new ATOM 997 N GLU A 64 -5.663 13.966 -4.470 1.00 22.43 N ATOM 998 CA GLU A 64 -6.135 14.781 -3.339 1.00 54.21 C ATOM 999 C GLU A 64 -5.091 15.821 -2.893 1.00 15.24 C ATOM 1000 O GLU A 64 -5.224 16.422 -1.825 1.00 41.33 O ATOM 1001 CB GLU A 64 -6.512 13.878 -2.158 1.00 52.15 C ATOM 1002 CG GLU A 64 -7.688 12.954 -2.450 1.00 73.42 C ATOM 1003 CD GLU A 64 -8.038 12.055 -1.277 1.00 22.11 C ATOM 1004 OE1 GLU A 64 -8.853 12.464 -0.423 1.00 1.54 O ATOM 1005 OE2 GLU A 64 -7.498 10.933 -1.202 1.00 33.44 O ATOM 0 H GLU A 64 -4.956 13.273 -4.223 1.00 22.43 H new ATOM 0 HA GLU A 64 -7.015 15.327 -3.679 1.00 54.21 H new ATOM 0 HB2 GLU A 64 -5.647 13.275 -1.881 1.00 52.15 H new ATOM 0 HB3 GLU A 64 -6.755 14.501 -1.297 1.00 52.15 H new ATOM 0 HG2 GLU A 64 -8.559 13.554 -2.714 1.00 73.42 H new ATOM 0 HG3 GLU A 64 -7.452 12.337 -3.317 1.00 73.42 H new ATOM 1012 N ARG A 65 -4.056 16.026 -3.714 1.00 24.34 N ATOM 1013 CA ARG A 65 -3.020 17.040 -3.441 1.00 0.45 C ATOM 1014 C ARG A 65 -2.322 16.821 -2.084 1.00 63.24 C ATOM 1015 O ARG A 65 -2.005 17.777 -1.373 1.00 40.13 O ATOM 1016 CB ARG A 65 -3.636 18.447 -3.492 1.00 44.43 C ATOM 1017 CG ARG A 65 -4.242 18.815 -4.842 1.00 44.54 C ATOM 1018 CD ARG A 65 -3.200 18.818 -5.958 1.00 54.31 C ATOM 1019 NE ARG A 65 -3.741 19.348 -7.205 1.00 61.44 N ATOM 1020 CZ ARG A 65 -3.140 20.233 -7.955 1.00 22.01 C ATOM 1021 NH1 ARG A 65 -1.968 20.687 -7.639 1.00 52.03 N ATOM 1022 NH2 ARG A 65 -3.715 20.662 -9.027 1.00 71.23 N ATOM 0 H ARG A 65 -3.909 15.503 -4.577 1.00 24.34 H new ATOM 0 HA ARG A 65 -2.259 16.939 -4.215 1.00 0.45 H new ATOM 0 HB2 ARG A 65 -4.409 18.521 -2.727 1.00 44.43 H new ATOM 0 HB3 ARG A 65 -2.867 19.177 -3.240 1.00 44.43 H new ATOM 0 HG2 ARG A 65 -5.034 18.108 -5.088 1.00 44.54 H new ATOM 0 HG3 ARG A 65 -4.704 19.800 -4.775 1.00 44.54 H new ATOM 0 HD2 ARG A 65 -2.341 19.416 -5.652 1.00 54.31 H new ATOM 0 HD3 ARG A 65 -2.840 17.802 -6.121 1.00 54.31 H new ATOM 0 HE ARG A 65 -4.651 19.004 -7.512 1.00 61.44 H new ATOM 0 HH11 ARG A 65 -1.502 20.353 -6.795 1.00 52.03 H new ATOM 0 HH12 ARG A 65 -1.511 21.378 -8.234 1.00 52.03 H new ATOM 0 HH21 ARG A 65 -4.636 20.310 -9.287 1.00 71.23 H new ATOM 0 HH22 ARG A 65 -3.248 21.353 -9.615 1.00 71.23 H new ATOM 1036 N ARG A 66 -2.084 15.566 -1.729 1.00 62.33 N ATOM 1037 CA ARG A 66 -1.395 15.228 -0.478 1.00 24.05 C ATOM 1038 C ARG A 66 0.064 14.820 -0.737 1.00 64.24 C ATOM 1039 O ARG A 66 0.350 14.037 -1.640 1.00 65.43 O ATOM 1040 CB ARG A 66 -2.154 14.112 0.254 1.00 35.44 C ATOM 1041 CG ARG A 66 -3.496 14.569 0.819 1.00 2.14 C ATOM 1042 CD ARG A 66 -4.245 13.432 1.513 1.00 2.34 C ATOM 1043 NE ARG A 66 -4.784 12.456 0.562 1.00 61.30 N ATOM 1044 CZ ARG A 66 -4.451 11.192 0.526 1.00 2.55 C ATOM 1045 NH1 ARG A 66 -3.535 10.724 1.312 1.00 51.30 N ATOM 1046 NH2 ARG A 66 -5.033 10.397 -0.305 1.00 50.01 N ATOM 0 H ARG A 66 -2.357 14.758 -2.288 1.00 62.33 H new ATOM 0 HA ARG A 66 -1.378 16.115 0.155 1.00 24.05 H new ATOM 0 HB2 ARG A 66 -2.320 13.283 -0.434 1.00 35.44 H new ATOM 0 HB3 ARG A 66 -1.535 13.733 1.067 1.00 35.44 H new ATOM 0 HG2 ARG A 66 -3.333 15.381 1.528 1.00 2.14 H new ATOM 0 HG3 ARG A 66 -4.111 14.969 0.013 1.00 2.14 H new ATOM 0 HD2 ARG A 66 -3.572 12.927 2.206 1.00 2.34 H new ATOM 0 HD3 ARG A 66 -5.061 13.846 2.106 1.00 2.34 H new ATOM 0 HE ARG A 66 -5.467 12.786 -0.120 1.00 61.30 H new ATOM 0 HH11 ARG A 66 -3.063 11.344 1.970 1.00 51.30 H new ATOM 0 HH12 ARG A 66 -3.286 9.736 1.273 1.00 51.30 H new ATOM 0 HH21 ARG A 66 -5.753 10.754 -0.934 1.00 50.01 H new ATOM 0 HH22 ARG A 66 -4.774 9.411 -0.334 1.00 50.01 H new ATOM 1060 N VAL A 67 0.976 15.363 0.066 1.00 34.42 N ATOM 1061 CA VAL A 67 2.418 15.156 -0.129 1.00 2.42 C ATOM 1062 C VAL A 67 2.905 13.819 0.459 1.00 22.51 C ATOM 1063 O VAL A 67 3.732 13.131 -0.146 1.00 53.25 O ATOM 1064 CB VAL A 67 3.232 16.313 0.510 1.00 24.25 C ATOM 1065 CG1 VAL A 67 4.724 16.173 0.207 1.00 42.25 C ATOM 1066 CG2 VAL A 67 2.706 17.666 0.037 1.00 24.54 C ATOM 0 H VAL A 67 0.745 15.954 0.864 1.00 34.42 H new ATOM 0 HA VAL A 67 2.581 15.135 -1.206 1.00 2.42 H new ATOM 0 HB VAL A 67 3.106 16.255 1.591 1.00 24.25 H new ATOM 0 HG11 VAL A 67 5.268 16.998 0.668 1.00 42.25 H new ATOM 0 HG12 VAL A 67 5.090 15.228 0.609 1.00 42.25 H new ATOM 0 HG13 VAL A 67 4.880 16.193 -0.872 1.00 42.25 H new ATOM 0 HG21 VAL A 67 3.290 18.464 0.496 1.00 24.54 H new ATOM 0 HG22 VAL A 67 2.793 17.731 -1.048 1.00 24.54 H new ATOM 0 HG23 VAL A 67 1.660 17.770 0.324 1.00 24.54 H new ATOM 1076 N HIS A 68 2.408 13.458 1.643 1.00 73.23 N ATOM 1077 CA HIS A 68 2.836 12.219 2.308 1.00 22.24 C ATOM 1078 C HIS A 68 1.738 11.143 2.274 1.00 73.23 C ATOM 1079 O HIS A 68 0.585 11.403 2.619 1.00 64.42 O ATOM 1080 CB HIS A 68 3.266 12.496 3.760 1.00 32.54 C ATOM 1081 CG HIS A 68 2.187 13.057 4.645 1.00 42.15 C ATOM 1082 ND1 HIS A 68 2.077 14.397 4.943 1.00 70.11 N ATOM 1083 CD2 HIS A 68 1.186 12.445 5.324 1.00 4.42 C ATOM 1084 CE1 HIS A 68 1.061 14.584 5.760 1.00 21.22 C ATOM 1085 NE2 HIS A 68 0.504 13.418 6.007 1.00 3.12 N ATOM 0 H HIS A 68 1.715 13.998 2.160 1.00 73.23 H new ATOM 0 HA HIS A 68 3.694 11.837 1.754 1.00 22.24 H new ATOM 0 HB2 HIS A 68 3.629 11.567 4.199 1.00 32.54 H new ATOM 0 HB3 HIS A 68 4.105 13.192 3.748 1.00 32.54 H new ATOM 0 HD2 HIS A 68 0.967 11.387 5.326 1.00 4.42 H new ATOM 0 HE1 HIS A 68 0.739 15.534 6.160 1.00 21.22 H new ATOM 0 HE2 HIS A 68 -0.305 13.263 6.609 1.00 3.12 H new ATOM 1094 N VAL A 69 2.113 9.932 1.867 1.00 75.21 N ATOM 1095 CA VAL A 69 1.182 8.799 1.815 1.00 71.14 C ATOM 1096 C VAL A 69 0.990 8.187 3.211 1.00 71.33 C ATOM 1097 O VAL A 69 1.958 7.954 3.939 1.00 23.45 O ATOM 1098 CB VAL A 69 1.681 7.706 0.836 1.00 12.01 C ATOM 1099 CG1 VAL A 69 0.659 6.573 0.715 1.00 52.41 C ATOM 1100 CG2 VAL A 69 1.989 8.314 -0.535 1.00 3.11 C ATOM 0 H VAL A 69 3.061 9.706 1.566 1.00 75.21 H new ATOM 0 HA VAL A 69 0.226 9.180 1.456 1.00 71.14 H new ATOM 0 HB VAL A 69 2.602 7.283 1.237 1.00 12.01 H new ATOM 0 HG11 VAL A 69 1.032 5.819 0.022 1.00 52.41 H new ATOM 0 HG12 VAL A 69 0.500 6.120 1.694 1.00 52.41 H new ATOM 0 HG13 VAL A 69 -0.284 6.972 0.343 1.00 52.41 H new ATOM 0 HG21 VAL A 69 2.338 7.532 -1.210 1.00 3.11 H new ATOM 0 HG22 VAL A 69 1.086 8.768 -0.943 1.00 3.11 H new ATOM 0 HG23 VAL A 69 2.763 9.075 -0.430 1.00 3.11 H new ATOM 1110 N THR A 70 -0.261 7.926 3.576 1.00 62.35 N ATOM 1111 CA THR A 70 -0.594 7.434 4.920 1.00 42.14 C ATOM 1112 C THR A 70 -1.010 5.959 4.907 1.00 61.41 C ATOM 1113 O THR A 70 -1.232 5.371 3.846 1.00 15.31 O ATOM 1114 CB THR A 70 -1.750 8.254 5.545 1.00 42.14 C ATOM 1115 OG1 THR A 70 -2.991 7.932 4.900 1.00 64.15 O ATOM 1116 CG2 THR A 70 -1.494 9.754 5.421 1.00 24.21 C ATOM 0 H THR A 70 -1.067 8.045 2.962 1.00 62.35 H new ATOM 0 HA THR A 70 0.312 7.547 5.515 1.00 42.14 H new ATOM 0 HB THR A 70 -1.806 7.995 6.602 1.00 42.14 H new ATOM 0 HG1 THR A 70 -2.884 8.008 3.929 1.00 64.15 H new ATOM 0 HG21 THR A 70 -2.323 10.303 5.869 1.00 24.21 H new ATOM 0 HG22 THR A 70 -0.569 10.009 5.938 1.00 24.21 H new ATOM 0 HG23 THR A 70 -1.408 10.023 4.368 1.00 24.21 H new ATOM 1124 N GLN A 71 -1.121 5.367 6.096 1.00 14.45 N ATOM 1125 CA GLN A 71 -1.625 3.999 6.236 1.00 21.34 C ATOM 1126 C GLN A 71 -3.042 3.878 5.652 1.00 42.31 C ATOM 1127 O GLN A 71 -3.402 2.861 5.055 1.00 23.51 O ATOM 1128 CB GLN A 71 -1.627 3.592 7.720 1.00 51.14 C ATOM 1129 CG GLN A 71 -2.150 2.181 7.970 1.00 15.14 C ATOM 1130 CD GLN A 71 -2.141 1.788 9.436 1.00 52.55 C ATOM 1131 OE1 GLN A 71 -2.289 2.620 10.324 1.00 24.12 O ATOM 1132 NE2 GLN A 71 -1.959 0.511 9.706 1.00 53.54 N ATOM 0 H GLN A 71 -0.869 5.813 6.978 1.00 14.45 H new ATOM 0 HA GLN A 71 -0.968 3.329 5.681 1.00 21.34 H new ATOM 0 HB2 GLN A 71 -0.612 3.668 8.109 1.00 51.14 H new ATOM 0 HB3 GLN A 71 -2.237 4.300 8.281 1.00 51.14 H new ATOM 0 HG2 GLN A 71 -3.168 2.105 7.587 1.00 15.14 H new ATOM 0 HG3 GLN A 71 -1.544 1.471 7.407 1.00 15.14 H new ATOM 0 HE21 GLN A 71 -1.839 -0.159 8.946 1.00 53.54 H new ATOM 0 HE22 GLN A 71 -1.939 0.192 10.675 1.00 53.54 H new ATOM 1141 N GLU A 72 -3.825 4.949 5.807 1.00 23.53 N ATOM 1142 CA GLU A 72 -5.207 4.997 5.315 1.00 31.40 C ATOM 1143 C GLU A 72 -5.269 4.781 3.797 1.00 64.21 C ATOM 1144 O GLU A 72 -6.156 4.092 3.290 1.00 35.41 O ATOM 1145 CB GLU A 72 -5.842 6.345 5.691 1.00 41.21 C ATOM 1146 CG GLU A 72 -5.822 6.626 7.194 1.00 53.33 C ATOM 1147 CD GLU A 72 -6.321 8.020 7.552 1.00 44.12 C ATOM 1148 OE1 GLU A 72 -7.552 8.215 7.648 1.00 71.03 O ATOM 1149 OE2 GLU A 72 -5.480 8.923 7.760 1.00 22.21 O ATOM 0 H GLU A 72 -3.522 5.804 6.274 1.00 23.53 H new ATOM 0 HA GLU A 72 -5.767 4.189 5.785 1.00 31.40 H new ATOM 0 HB2 GLU A 72 -5.314 7.145 5.172 1.00 41.21 H new ATOM 0 HB3 GLU A 72 -6.873 6.363 5.339 1.00 41.21 H new ATOM 0 HG2 GLU A 72 -6.438 5.885 7.704 1.00 53.33 H new ATOM 0 HG3 GLU A 72 -4.805 6.505 7.566 1.00 53.33 H new ATOM 1156 N ASP A 73 -4.310 5.362 3.077 1.00 1.12 N ATOM 1157 CA ASP A 73 -4.215 5.188 1.625 1.00 54.34 C ATOM 1158 C ASP A 73 -4.042 3.711 1.239 1.00 61.01 C ATOM 1159 O ASP A 73 -4.756 3.194 0.376 1.00 24.51 O ATOM 1160 CB ASP A 73 -3.045 6.007 1.071 1.00 24.41 C ATOM 1161 CG ASP A 73 -3.292 7.495 1.189 1.00 62.32 C ATOM 1162 OD1 ASP A 73 -4.102 8.019 0.407 1.00 0.35 O ATOM 1163 OD2 ASP A 73 -2.690 8.147 2.068 1.00 73.34 O ATOM 0 H ASP A 73 -3.585 5.959 3.475 1.00 1.12 H new ATOM 0 HA ASP A 73 -5.149 5.543 1.190 1.00 54.34 H new ATOM 0 HB2 ASP A 73 -2.133 5.747 1.608 1.00 24.41 H new ATOM 0 HB3 ASP A 73 -2.884 5.748 0.025 1.00 24.41 H new ATOM 1168 N PHE A 74 -3.098 3.036 1.894 1.00 42.00 N ATOM 1169 CA PHE A 74 -2.806 1.632 1.597 1.00 33.12 C ATOM 1170 C PHE A 74 -4.018 0.724 1.854 1.00 54.33 C ATOM 1171 O PHE A 74 -4.426 -0.020 0.970 1.00 44.24 O ATOM 1172 CB PHE A 74 -1.594 1.148 2.405 1.00 11.51 C ATOM 1173 CG PHE A 74 -0.286 1.721 1.922 1.00 32.34 C ATOM 1174 CD1 PHE A 74 0.390 1.133 0.860 1.00 30.11 C ATOM 1175 CD2 PHE A 74 0.261 2.851 2.516 1.00 74.21 C ATOM 1176 CE1 PHE A 74 1.584 1.654 0.406 1.00 35.01 C ATOM 1177 CE2 PHE A 74 1.456 3.376 2.062 1.00 71.24 C ATOM 1178 CZ PHE A 74 2.117 2.779 1.005 1.00 45.32 C ATOM 0 H PHE A 74 -2.522 3.438 2.634 1.00 42.00 H new ATOM 0 HA PHE A 74 -2.570 1.570 0.535 1.00 33.12 H new ATOM 0 HB2 PHE A 74 -1.735 1.415 3.452 1.00 11.51 H new ATOM 0 HB3 PHE A 74 -1.546 0.060 2.357 1.00 11.51 H new ATOM 0 HD1 PHE A 74 -0.025 0.257 0.384 1.00 30.11 H new ATOM 0 HD2 PHE A 74 -0.252 3.324 3.340 1.00 74.21 H new ATOM 0 HE1 PHE A 74 2.101 1.183 -0.417 1.00 35.01 H new ATOM 0 HE2 PHE A 74 1.874 4.253 2.533 1.00 71.24 H new ATOM 0 HZ PHE A 74 3.049 3.192 0.648 1.00 45.32 H new ATOM 1188 N GLU A 75 -4.600 0.791 3.051 1.00 3.04 N ATOM 1189 CA GLU A 75 -5.749 -0.063 3.387 1.00 34.31 C ATOM 1190 C GLU A 75 -6.964 0.222 2.484 1.00 61.34 C ATOM 1191 O GLU A 75 -7.730 -0.690 2.162 1.00 52.31 O ATOM 1192 CB GLU A 75 -6.119 0.068 4.874 1.00 41.12 C ATOM 1193 CG GLU A 75 -6.335 1.497 5.351 1.00 33.34 C ATOM 1194 CD GLU A 75 -6.515 1.579 6.857 1.00 15.41 C ATOM 1195 OE1 GLU A 75 -5.529 1.369 7.592 1.00 72.52 O ATOM 1196 OE2 GLU A 75 -7.648 1.827 7.319 1.00 4.32 O ATOM 0 H GLU A 75 -4.303 1.418 3.799 1.00 3.04 H new ATOM 0 HA GLU A 75 -5.448 -1.094 3.203 1.00 34.31 H new ATOM 0 HB2 GLU A 75 -7.028 -0.504 5.060 1.00 41.12 H new ATOM 0 HB3 GLU A 75 -5.329 -0.385 5.473 1.00 41.12 H new ATOM 0 HG2 GLU A 75 -5.483 2.110 5.055 1.00 33.34 H new ATOM 0 HG3 GLU A 75 -7.214 1.913 4.859 1.00 33.34 H new ATOM 1203 N MET A 76 -7.139 1.480 2.066 1.00 20.41 N ATOM 1204 CA MET A 76 -8.161 1.806 1.063 1.00 55.41 C ATOM 1205 C MET A 76 -7.862 1.101 -0.267 1.00 34.13 C ATOM 1206 O MET A 76 -8.734 0.461 -0.857 1.00 12.45 O ATOM 1207 CB MET A 76 -8.254 3.318 0.826 1.00 30.04 C ATOM 1208 CG MET A 76 -9.043 4.074 1.884 1.00 43.23 C ATOM 1209 SD MET A 76 -9.361 5.780 1.395 1.00 51.40 S ATOM 1210 CE MET A 76 -10.162 5.531 -0.194 1.00 31.23 C ATOM 0 H MET A 76 -6.597 2.278 2.399 1.00 20.41 H new ATOM 0 HA MET A 76 -9.117 1.455 1.452 1.00 55.41 H new ATOM 0 HB2 MET A 76 -7.245 3.729 0.780 1.00 30.04 H new ATOM 0 HB3 MET A 76 -8.714 3.493 -0.147 1.00 30.04 H new ATOM 0 HG2 MET A 76 -9.990 3.565 2.063 1.00 43.23 H new ATOM 0 HG3 MET A 76 -8.492 4.063 2.825 1.00 43.23 H new ATOM 0 HE1 MET A 76 -10.853 6.352 -0.386 1.00 31.23 H new ATOM 0 HE2 MET A 76 -9.408 5.499 -0.981 1.00 31.23 H new ATOM 0 HE3 MET A 76 -10.712 4.590 -0.181 1.00 31.23 H new ATOM 1220 N ALA A 77 -6.622 1.225 -0.729 1.00 63.31 N ATOM 1221 CA ALA A 77 -6.190 0.563 -1.960 1.00 12.51 C ATOM 1222 C ALA A 77 -6.329 -0.964 -1.843 1.00 54.04 C ATOM 1223 O ALA A 77 -6.703 -1.637 -2.800 1.00 70.31 O ATOM 1224 CB ALA A 77 -4.759 0.963 -2.289 1.00 41.41 C ATOM 0 H ALA A 77 -5.897 1.777 -0.271 1.00 63.31 H new ATOM 0 HA ALA A 77 -6.836 0.886 -2.777 1.00 12.51 H new ATOM 0 HB1 ALA A 77 -4.444 0.466 -3.207 1.00 41.41 H new ATOM 0 HB2 ALA A 77 -4.705 2.043 -2.424 1.00 41.41 H new ATOM 0 HB3 ALA A 77 -4.101 0.666 -1.472 1.00 41.41 H new ATOM 1230 N VAL A 78 -6.046 -1.500 -0.656 1.00 21.51 N ATOM 1231 CA VAL A 78 -6.234 -2.930 -0.385 1.00 54.15 C ATOM 1232 C VAL A 78 -7.697 -3.341 -0.587 1.00 54.23 C ATOM 1233 O VAL A 78 -7.985 -4.320 -1.270 1.00 60.51 O ATOM 1234 CB VAL A 78 -5.793 -3.304 1.056 1.00 60.10 C ATOM 1235 CG1 VAL A 78 -6.177 -4.745 1.389 1.00 71.41 C ATOM 1236 CG2 VAL A 78 -4.289 -3.092 1.233 1.00 20.14 C ATOM 0 H VAL A 78 -5.685 -0.967 0.136 1.00 21.51 H new ATOM 0 HA VAL A 78 -5.606 -3.469 -1.094 1.00 54.15 H new ATOM 0 HB VAL A 78 -6.316 -2.646 1.750 1.00 60.10 H new ATOM 0 HG11 VAL A 78 -5.857 -4.982 2.404 1.00 71.41 H new ATOM 0 HG12 VAL A 78 -7.258 -4.860 1.313 1.00 71.41 H new ATOM 0 HG13 VAL A 78 -5.690 -5.423 0.688 1.00 71.41 H new ATOM 0 HG21 VAL A 78 -4.001 -3.360 2.250 1.00 20.14 H new ATOM 0 HG22 VAL A 78 -3.747 -3.719 0.525 1.00 20.14 H new ATOM 0 HG23 VAL A 78 -4.045 -2.045 1.051 1.00 20.14 H new ATOM 1246 N ALA A 79 -8.617 -2.585 0.007 1.00 52.31 N ATOM 1247 CA ALA A 79 -10.048 -2.846 -0.160 1.00 60.21 C ATOM 1248 C ALA A 79 -10.465 -2.744 -1.636 1.00 12.42 C ATOM 1249 O ALA A 79 -11.236 -3.566 -2.137 1.00 3.52 O ATOM 1250 CB ALA A 79 -10.862 -1.879 0.692 1.00 74.31 C ATOM 0 H ALA A 79 -8.400 -1.789 0.607 1.00 52.31 H new ATOM 0 HA ALA A 79 -10.247 -3.865 0.173 1.00 60.21 H new ATOM 0 HB1 ALA A 79 -11.924 -2.083 0.559 1.00 74.31 H new ATOM 0 HB2 ALA A 79 -10.596 -2.006 1.741 1.00 74.31 H new ATOM 0 HB3 ALA A 79 -10.648 -0.855 0.385 1.00 74.31 H new ATOM 1256 N LYS A 80 -9.931 -1.736 -2.328 1.00 51.30 N ATOM 1257 CA LYS A 80 -10.238 -1.504 -3.746 1.00 25.04 C ATOM 1258 C LYS A 80 -9.669 -2.621 -4.648 1.00 41.13 C ATOM 1259 O LYS A 80 -10.306 -3.036 -5.617 1.00 44.15 O ATOM 1260 CB LYS A 80 -9.679 -0.139 -4.187 1.00 0.33 C ATOM 1261 CG LYS A 80 -10.039 0.239 -5.623 1.00 32.22 C ATOM 1262 CD LYS A 80 -9.450 1.590 -6.020 1.00 43.52 C ATOM 1263 CE LYS A 80 -9.831 1.983 -7.441 1.00 53.23 C ATOM 1264 NZ LYS A 80 -9.272 3.308 -7.812 1.00 12.14 N ATOM 0 H LYS A 80 -9.279 -1.061 -1.928 1.00 51.30 H new ATOM 0 HA LYS A 80 -11.323 -1.510 -3.855 1.00 25.04 H new ATOM 0 HB2 LYS A 80 -10.054 0.632 -3.513 1.00 0.33 H new ATOM 0 HB3 LYS A 80 -8.594 -0.151 -4.085 1.00 0.33 H new ATOM 0 HG2 LYS A 80 -9.674 -0.530 -6.303 1.00 32.22 H new ATOM 0 HG3 LYS A 80 -11.123 0.270 -5.729 1.00 32.22 H new ATOM 0 HD2 LYS A 80 -9.798 2.355 -5.326 1.00 43.52 H new ATOM 0 HD3 LYS A 80 -8.364 1.552 -5.933 1.00 43.52 H new ATOM 0 HE2 LYS A 80 -9.468 1.227 -8.137 1.00 53.23 H new ATOM 0 HE3 LYS A 80 -10.917 2.007 -7.533 1.00 53.23 H new ATOM 0 HZ1 LYS A 80 -9.420 3.475 -8.828 1.00 12.14 H new ATOM 0 HZ2 LYS A 80 -9.751 4.052 -7.265 1.00 12.14 H new ATOM 0 HZ3 LYS A 80 -8.253 3.326 -7.603 1.00 12.14 H new ATOM 1278 N VAL A 81 -8.468 -3.106 -4.326 1.00 62.42 N ATOM 1279 CA VAL A 81 -7.804 -4.143 -5.135 1.00 11.33 C ATOM 1280 C VAL A 81 -8.289 -5.561 -4.778 1.00 43.52 C ATOM 1281 O VAL A 81 -8.710 -6.320 -5.658 1.00 44.40 O ATOM 1282 CB VAL A 81 -6.259 -4.071 -4.988 1.00 75.44 C ATOM 1283 CG1 VAL A 81 -5.580 -5.220 -5.740 1.00 12.24 C ATOM 1284 CG2 VAL A 81 -5.738 -2.719 -5.481 1.00 75.43 C ATOM 0 H VAL A 81 -7.932 -2.801 -3.513 1.00 62.42 H new ATOM 0 HA VAL A 81 -8.075 -3.941 -6.171 1.00 11.33 H new ATOM 0 HB VAL A 81 -6.013 -4.172 -3.931 1.00 75.44 H new ATOM 0 HG11 VAL A 81 -4.499 -5.145 -5.620 1.00 12.24 H new ATOM 0 HG12 VAL A 81 -5.924 -6.172 -5.337 1.00 12.24 H new ATOM 0 HG13 VAL A 81 -5.832 -5.161 -6.799 1.00 12.24 H new ATOM 0 HG21 VAL A 81 -4.654 -2.685 -5.371 1.00 75.43 H new ATOM 0 HG22 VAL A 81 -6.001 -2.589 -6.531 1.00 75.43 H new ATOM 0 HG23 VAL A 81 -6.188 -1.919 -4.893 1.00 75.43 H new ATOM 1294 N MET A 82 -8.235 -5.917 -3.494 1.00 61.40 N ATOM 1295 CA MET A 82 -8.633 -7.261 -3.046 1.00 13.34 C ATOM 1296 C MET A 82 -10.137 -7.503 -3.250 1.00 11.03 C ATOM 1297 O MET A 82 -10.559 -8.631 -3.506 1.00 52.45 O ATOM 1298 CB MET A 82 -8.270 -7.464 -1.569 1.00 11.00 C ATOM 1299 CG MET A 82 -6.778 -7.340 -1.278 1.00 21.53 C ATOM 1300 SD MET A 82 -5.778 -8.529 -2.198 1.00 14.44 S ATOM 1301 CE MET A 82 -6.439 -10.080 -1.597 1.00 51.41 C ATOM 0 H MET A 82 -7.922 -5.299 -2.745 1.00 61.40 H new ATOM 0 HA MET A 82 -8.087 -7.983 -3.654 1.00 13.34 H new ATOM 0 HB2 MET A 82 -8.810 -6.732 -0.968 1.00 11.00 H new ATOM 0 HB3 MET A 82 -8.611 -8.450 -1.253 1.00 11.00 H new ATOM 0 HG2 MET A 82 -6.448 -6.330 -1.523 1.00 21.53 H new ATOM 0 HG3 MET A 82 -6.609 -7.481 -0.210 1.00 21.53 H new ATOM 0 HE1 MET A 82 -5.788 -10.897 -1.906 1.00 51.41 H new ATOM 0 HE2 MET A 82 -6.496 -10.054 -0.509 1.00 51.41 H new ATOM 0 HE3 MET A 82 -7.436 -10.235 -2.009 1.00 51.41 H new ATOM 1311 N GLN A 83 -10.937 -6.438 -3.127 1.00 33.24 N ATOM 1312 CA GLN A 83 -12.388 -6.503 -3.382 1.00 1.14 C ATOM 1313 C GLN A 83 -13.100 -7.545 -2.498 1.00 20.54 C ATOM 1314 O GLN A 83 -14.194 -8.010 -2.831 1.00 51.30 O ATOM 1315 CB GLN A 83 -12.641 -6.813 -4.866 1.00 71.13 C ATOM 1316 CG GLN A 83 -12.098 -5.748 -5.811 1.00 34.14 C ATOM 1317 CD GLN A 83 -12.136 -6.179 -7.266 1.00 33.32 C ATOM 1318 OE1 GLN A 83 -13.116 -5.960 -7.970 1.00 64.15 O ATOM 1319 NE2 GLN A 83 -11.072 -6.806 -7.728 1.00 71.23 N ATOM 0 H GLN A 83 -10.605 -5.514 -2.851 1.00 33.24 H new ATOM 0 HA GLN A 83 -12.805 -5.529 -3.126 1.00 1.14 H new ATOM 0 HB2 GLN A 83 -12.185 -7.772 -5.112 1.00 71.13 H new ATOM 0 HB3 GLN A 83 -13.713 -6.919 -5.029 1.00 71.13 H new ATOM 0 HG2 GLN A 83 -12.679 -4.833 -5.692 1.00 34.14 H new ATOM 0 HG3 GLN A 83 -11.071 -5.512 -5.533 1.00 34.14 H new ATOM 0 HE21 GLN A 83 -10.273 -6.973 -7.117 1.00 71.23 H new ATOM 0 HE22 GLN A 83 -11.048 -7.124 -8.697 1.00 71.23 H new