USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 662 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 477 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 524 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.035) USER MOD Set 2.1: A 476 THR OG1 : rot 180:sc= 0.275 USER MOD Set 2.2: A 491 LYS NZ :NH3+ 139:sc= -0.892 (180deg=-1.08) USER MOD Set 3.1: A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 534 THR OG1 : rot -11:sc= 0.809 USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 ASN : amide:sc= 0.823 K(o=0.82,f=-0.13) USER MOD Single : A 463 GLN : amide:sc= -0.803 K(o=-0.8,f=-1.5) USER MOD Single : A 465 LYS NZ :NH3+ 171:sc= 2.43 (180deg=2.32) USER MOD Single : A 468 THR OG1 : rot 180:sc= 0 USER MOD Single : A 474 SER OG : rot 180:sc= 0 USER MOD Single : A 489 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 ASN : amide:sc= -0.376 K(o=-0.38,f=-5.9!) USER MOD Single : A 501 GLN : amide:sc= -0.0133 K(o=-0.013,f=-2.5!) USER MOD Single : A 506 LYS NZ :NH3+ 168:sc= -0.0216 (180deg=-0.224) USER MOD Single : A 515 ASN : amide:sc= -7.45! C(o=-7.5!,f=-13!) USER MOD Single : A 522 LYS NZ :NH3+ -137:sc= -0.0984 (180deg=-3.13!) USER MOD Single : A 523 SER OG : rot 180:sc= 0 USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 533 SER OG : rot 75:sc= 0.289 USER MOD Single : A 535 LYS NZ :NH3+ 169:sc= 1.19 (180deg=1.08) USER MOD Single : A 536 MET CE :methyl 160:sc= -0.121 (180deg=-0.564) USER MOD Single : A 539 THR OG1 : rot 104:sc= 0.859 USER MOD Single : A 541 SER OG : rot -118:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 458 -11.626 -8.960 -2.607 1.00 64.10 N ATOM 139 CA LYS A 458 -12.036 -7.977 -3.564 1.00 11.20 C ATOM 140 C LYS A 458 -10.921 -6.955 -3.746 1.00 40.12 C ATOM 141 O LYS A 458 -10.340 -6.481 -2.768 1.00 5.32 O ATOM 142 CB LYS A 458 -13.314 -7.287 -3.037 1.00 21.31 C ATOM 143 CG LYS A 458 -13.905 -6.122 -3.863 1.00 74.25 C ATOM 144 CD LYS A 458 -14.602 -6.516 -5.195 1.00 2.44 C ATOM 145 CE LYS A 458 -13.654 -7.042 -6.259 1.00 20.41 C ATOM 146 NZ LYS A 458 -14.337 -7.280 -7.553 1.00 52.34 N ATOM 0 HA LYS A 458 -12.243 -8.443 -4.527 1.00 11.20 H new ATOM 0 HB2 LYS A 458 -14.087 -8.049 -2.935 1.00 21.31 H new ATOM 0 HB3 LYS A 458 -13.102 -6.912 -2.036 1.00 21.31 H new ATOM 0 HG2 LYS A 458 -14.627 -5.592 -3.242 1.00 74.25 H new ATOM 0 HG3 LYS A 458 -13.103 -5.420 -4.090 1.00 74.25 H new ATOM 0 HD2 LYS A 458 -15.356 -7.276 -4.987 1.00 2.44 H new ATOM 0 HD3 LYS A 458 -15.127 -5.646 -5.589 1.00 2.44 H new ATOM 0 HE2 LYS A 458 -12.843 -6.329 -6.405 1.00 20.41 H new ATOM 0 HE3 LYS A 458 -13.202 -7.972 -5.913 1.00 20.41 H new ATOM 0 HZ1 LYS A 458 -13.650 -7.638 -8.247 1.00 52.34 H new ATOM 0 HZ2 LYS A 458 -15.094 -7.981 -7.422 1.00 52.34 H new ATOM 0 HZ3 LYS A 458 -14.746 -6.389 -7.899 1.00 52.34 H new ATOM 160 N ARG A 459 -10.604 -6.641 -4.980 1.00 34.14 N ATOM 161 CA ARG A 459 -9.650 -5.609 -5.264 1.00 65.41 C ATOM 162 C ARG A 459 -10.383 -4.357 -5.677 1.00 75.54 C ATOM 163 O ARG A 459 -11.470 -4.435 -6.262 1.00 62.45 O ATOM 164 CB ARG A 459 -8.665 -6.042 -6.329 1.00 31.22 C ATOM 165 CG ARG A 459 -7.844 -7.246 -5.929 1.00 31.01 C ATOM 166 CD ARG A 459 -6.853 -7.627 -6.998 1.00 72.21 C ATOM 167 NE ARG A 459 -7.504 -7.972 -8.259 1.00 61.51 N ATOM 168 CZ ARG A 459 -6.873 -8.153 -9.420 1.00 60.12 C ATOM 169 NH1 ARG A 459 -5.543 -8.044 -9.485 1.00 22.03 N ATOM 170 NH2 ARG A 459 -7.569 -8.446 -10.507 1.00 52.42 N ATOM 0 H ARG A 459 -10.999 -7.092 -5.805 1.00 34.14 H new ATOM 0 HA ARG A 459 -9.071 -5.406 -4.363 1.00 65.41 H new ATOM 0 HB2 ARG A 459 -9.209 -6.270 -7.246 1.00 31.22 H new ATOM 0 HB3 ARG A 459 -7.995 -5.212 -6.553 1.00 31.22 H new ATOM 0 HG2 ARG A 459 -7.314 -7.032 -5.001 1.00 31.01 H new ATOM 0 HG3 ARG A 459 -8.507 -8.088 -5.731 1.00 31.01 H new ATOM 0 HD2 ARG A 459 -6.163 -6.799 -7.162 1.00 72.21 H new ATOM 0 HD3 ARG A 459 -6.259 -8.474 -6.655 1.00 72.21 H new ATOM 0 HE ARG A 459 -8.518 -8.083 -8.251 1.00 61.51 H new ATOM 0 HH11 ARG A 459 -5.008 -7.822 -8.646 1.00 22.03 H new ATOM 0 HH12 ARG A 459 -5.063 -8.183 -10.374 1.00 22.03 H new ATOM 0 HH21 ARG A 459 -8.584 -8.533 -10.455 1.00 52.42 H new ATOM 0 HH22 ARG A 459 -7.090 -8.585 -11.397 1.00 52.42 H new ATOM 184 N LEU A 460 -9.809 -3.221 -5.384 1.00 31.51 N ATOM 185 CA LEU A 460 -10.470 -1.951 -5.612 1.00 63.22 C ATOM 186 C LEU A 460 -9.514 -1.005 -6.270 1.00 32.45 C ATOM 187 O LEU A 460 -8.308 -1.105 -6.061 1.00 32.22 O ATOM 188 CB LEU A 460 -10.960 -1.290 -4.280 1.00 14.33 C ATOM 189 CG LEU A 460 -12.003 -2.024 -3.397 1.00 31.45 C ATOM 190 CD1 LEU A 460 -13.233 -2.421 -4.184 1.00 71.55 C ATOM 191 CD2 LEU A 460 -11.407 -3.204 -2.636 1.00 12.05 C ATOM 0 H LEU A 460 -8.875 -3.143 -4.982 1.00 31.51 H new ATOM 0 HA LEU A 460 -11.337 -2.148 -6.243 1.00 63.22 H new ATOM 0 HB2 LEU A 460 -10.080 -1.110 -3.663 1.00 14.33 H new ATOM 0 HB3 LEU A 460 -11.376 -0.315 -4.534 1.00 14.33 H new ATOM 0 HG LEU A 460 -12.323 -1.305 -2.643 1.00 31.45 H new ATOM 0 HD11 LEU A 460 -13.936 -2.932 -3.527 1.00 71.55 H new ATOM 0 HD12 LEU A 460 -13.704 -1.529 -4.597 1.00 71.55 H new ATOM 0 HD13 LEU A 460 -12.945 -3.088 -4.996 1.00 71.55 H new ATOM 0 HD21 LEU A 460 -12.183 -3.679 -2.035 1.00 12.05 H new ATOM 0 HD22 LEU A 460 -11.003 -3.927 -3.344 1.00 12.05 H new ATOM 0 HD23 LEU A 460 -10.609 -2.850 -1.984 1.00 12.05 H new ATOM 203 N ASN A 461 -10.038 -0.104 -7.053 1.00 75.11 N ATOM 204 CA ASN A 461 -9.233 0.917 -7.671 1.00 33.04 C ATOM 205 C ASN A 461 -9.669 2.295 -7.222 1.00 54.33 C ATOM 206 O ASN A 461 -10.808 2.720 -7.434 1.00 31.45 O ATOM 207 CB ASN A 461 -9.100 0.768 -9.217 1.00 65.11 C ATOM 208 CG ASN A 461 -10.403 0.656 -10.029 1.00 20.43 C ATOM 209 OD1 ASN A 461 -10.415 0.015 -11.079 1.00 23.34 O ATOM 210 ND2 ASN A 461 -11.467 1.267 -9.593 1.00 50.51 N ATOM 0 H ASN A 461 -11.031 -0.055 -7.281 1.00 75.11 H new ATOM 0 HA ASN A 461 -8.213 0.775 -7.315 1.00 33.04 H new ATOM 0 HB2 ASN A 461 -8.541 1.626 -9.592 1.00 65.11 H new ATOM 0 HB3 ASN A 461 -8.498 -0.118 -9.420 1.00 65.11 H new ATOM 0 HD21 ASN A 461 -12.336 1.220 -10.125 1.00 50.51 H new ATOM 0 HD22 ASN A 461 -11.432 1.792 -8.719 1.00 50.51 H new ATOM 217 N ILE A 462 -8.779 2.967 -6.573 1.00 31.10 N ATOM 218 CA ILE A 462 -9.036 4.249 -5.991 1.00 23.22 C ATOM 219 C ILE A 462 -8.051 5.210 -6.600 1.00 13.52 C ATOM 220 O ILE A 462 -6.914 4.838 -6.829 1.00 64.33 O ATOM 221 CB ILE A 462 -8.788 4.185 -4.459 1.00 63.22 C ATOM 222 CG1 ILE A 462 -9.598 3.035 -3.827 1.00 65.14 C ATOM 223 CG2 ILE A 462 -9.177 5.504 -3.818 1.00 13.44 C ATOM 224 CD1 ILE A 462 -9.366 2.855 -2.338 1.00 70.14 C ATOM 0 H ILE A 462 -7.826 2.634 -6.427 1.00 31.10 H new ATOM 0 HA ILE A 462 -10.065 4.558 -6.172 1.00 23.22 H new ATOM 0 HB ILE A 462 -7.728 3.999 -4.286 1.00 63.22 H new ATOM 0 HG12 ILE A 462 -10.659 3.216 -3.999 1.00 65.14 H new ATOM 0 HG13 ILE A 462 -9.347 2.105 -4.337 1.00 65.14 H new ATOM 0 HG21 ILE A 462 -9.001 5.452 -2.744 1.00 13.44 H new ATOM 0 HG22 ILE A 462 -8.577 6.307 -4.246 1.00 13.44 H new ATOM 0 HG23 ILE A 462 -10.233 5.701 -4.003 1.00 13.44 H new ATOM 0 HD11 ILE A 462 -9.973 2.026 -1.973 1.00 70.14 H new ATOM 0 HD12 ILE A 462 -8.313 2.641 -2.157 1.00 70.14 H new ATOM 0 HD13 ILE A 462 -9.646 3.768 -1.813 1.00 70.14 H new ATOM 236 N GLN A 463 -8.458 6.397 -6.925 1.00 53.51 N ATOM 237 CA GLN A 463 -7.519 7.320 -7.495 1.00 53.43 C ATOM 238 C GLN A 463 -7.537 8.593 -6.674 1.00 1.01 C ATOM 239 O GLN A 463 -8.587 9.183 -6.486 1.00 25.12 O ATOM 240 CB GLN A 463 -7.896 7.599 -8.932 1.00 1.41 C ATOM 241 CG GLN A 463 -6.780 8.144 -9.790 1.00 13.40 C ATOM 242 CD GLN A 463 -7.248 8.365 -11.211 1.00 72.11 C ATOM 243 OE1 GLN A 463 -8.418 8.647 -11.446 1.00 51.42 O ATOM 244 NE2 GLN A 463 -6.364 8.231 -12.158 1.00 10.53 N ATOM 0 H GLN A 463 -9.409 6.747 -6.811 1.00 53.51 H new ATOM 0 HA GLN A 463 -6.513 6.901 -7.482 1.00 53.43 H new ATOM 0 HB2 GLN A 463 -8.262 6.676 -9.382 1.00 1.41 H new ATOM 0 HB3 GLN A 463 -8.723 8.309 -8.944 1.00 1.41 H new ATOM 0 HG2 GLN A 463 -6.420 9.084 -9.371 1.00 13.40 H new ATOM 0 HG3 GLN A 463 -5.939 7.450 -9.784 1.00 13.40 H new ATOM 0 HE21 GLN A 463 -5.399 7.996 -11.925 1.00 10.53 H new ATOM 0 HE22 GLN A 463 -6.637 8.361 -13.132 1.00 10.53 H new ATOM 253 N LEU A 464 -6.401 9.036 -6.212 1.00 31.53 N ATOM 254 CA LEU A 464 -6.368 10.226 -5.378 1.00 52.22 C ATOM 255 C LEU A 464 -5.642 11.363 -6.032 1.00 41.00 C ATOM 256 O LEU A 464 -4.776 11.160 -6.858 1.00 75.20 O ATOM 257 CB LEU A 464 -5.804 9.975 -3.977 1.00 63.30 C ATOM 258 CG LEU A 464 -6.652 9.089 -3.040 1.00 21.54 C ATOM 259 CD1 LEU A 464 -6.578 7.642 -3.379 1.00 63.13 C ATOM 260 CD2 LEU A 464 -6.332 9.326 -1.588 1.00 74.20 C ATOM 0 H LEU A 464 -5.493 8.606 -6.390 1.00 31.53 H new ATOM 0 HA LEU A 464 -7.414 10.509 -5.258 1.00 52.22 H new ATOM 0 HB2 LEU A 464 -4.821 9.516 -4.083 1.00 63.30 H new ATOM 0 HB3 LEU A 464 -5.655 10.940 -3.492 1.00 63.30 H new ATOM 0 HG LEU A 464 -7.685 9.396 -3.205 1.00 21.54 H new ATOM 0 HD11 LEU A 464 -7.196 7.073 -2.684 1.00 63.13 H new ATOM 0 HD12 LEU A 464 -6.940 7.487 -4.396 1.00 63.13 H new ATOM 0 HD13 LEU A 464 -5.544 7.304 -3.306 1.00 63.13 H new ATOM 0 HD21 LEU A 464 -6.954 8.680 -0.968 1.00 74.20 H new ATOM 0 HD22 LEU A 464 -5.281 9.102 -1.406 1.00 74.20 H new ATOM 0 HD23 LEU A 464 -6.529 10.368 -1.337 1.00 74.20 H new ATOM 272 N LYS A 465 -6.018 12.564 -5.649 1.00 70.24 N ATOM 273 CA LYS A 465 -5.475 13.755 -6.191 1.00 61.25 C ATOM 274 C LYS A 465 -4.456 14.293 -5.234 1.00 14.23 C ATOM 275 O LYS A 465 -4.725 14.408 -4.031 1.00 71.20 O ATOM 276 CB LYS A 465 -6.546 14.879 -6.419 1.00 11.24 C ATOM 277 CG LYS A 465 -7.622 14.736 -7.544 1.00 45.20 C ATOM 278 CD LYS A 465 -8.854 13.852 -7.218 1.00 51.33 C ATOM 279 CE LYS A 465 -8.560 12.386 -7.225 1.00 52.10 C ATOM 280 NZ LYS A 465 -9.759 11.558 -6.957 1.00 32.13 N ATOM 0 H LYS A 465 -6.728 12.725 -4.934 1.00 70.24 H new ATOM 0 HA LYS A 465 -5.049 13.495 -7.160 1.00 61.25 H new ATOM 0 HB2 LYS A 465 -7.080 15.009 -5.478 1.00 11.24 H new ATOM 0 HB3 LYS A 465 -6.004 15.806 -6.609 1.00 11.24 H new ATOM 0 HG2 LYS A 465 -7.977 15.733 -7.804 1.00 45.20 H new ATOM 0 HG3 LYS A 465 -7.136 14.329 -8.431 1.00 45.20 H new ATOM 0 HD2 LYS A 465 -9.242 14.131 -6.238 1.00 51.33 H new ATOM 0 HD3 LYS A 465 -9.641 14.059 -7.943 1.00 51.33 H new ATOM 0 HE2 LYS A 465 -8.142 12.109 -8.193 1.00 52.10 H new ATOM 0 HE3 LYS A 465 -7.799 12.169 -6.475 1.00 52.10 H new ATOM 0 HZ1 LYS A 465 -9.533 10.556 -7.123 1.00 32.13 H new ATOM 0 HZ2 LYS A 465 -10.056 11.687 -5.969 1.00 32.13 H new ATOM 0 HZ3 LYS A 465 -10.531 11.849 -7.591 1.00 32.13 H new ATOM 294 N LYS A 466 -3.298 14.563 -5.735 1.00 13.31 N ATOM 295 CA LYS A 466 -2.271 15.238 -4.951 1.00 31.25 C ATOM 296 C LYS A 466 -2.768 16.605 -4.500 1.00 3.43 C ATOM 297 O LYS A 466 -3.004 17.492 -5.325 1.00 24.55 O ATOM 298 CB LYS A 466 -0.941 15.413 -5.707 1.00 53.24 C ATOM 299 CG LYS A 466 0.058 16.225 -4.873 1.00 31.10 C ATOM 300 CD LYS A 466 1.378 16.491 -5.558 1.00 31.33 C ATOM 301 CE LYS A 466 2.234 15.259 -5.641 1.00 14.31 C ATOM 302 NZ LYS A 466 3.556 15.544 -6.227 1.00 34.22 N ATOM 0 H LYS A 466 -3.020 14.332 -6.689 1.00 13.31 H new ATOM 0 HA LYS A 466 -2.075 14.596 -4.093 1.00 31.25 H new ATOM 0 HB2 LYS A 466 -0.518 14.435 -5.939 1.00 53.24 H new ATOM 0 HB3 LYS A 466 -1.121 15.916 -6.657 1.00 53.24 H new ATOM 0 HG2 LYS A 466 -0.399 17.179 -4.610 1.00 31.10 H new ATOM 0 HG3 LYS A 466 0.248 15.695 -3.940 1.00 31.10 H new ATOM 0 HD2 LYS A 466 1.194 16.871 -6.563 1.00 31.33 H new ATOM 0 HD3 LYS A 466 1.916 17.269 -5.016 1.00 31.33 H new ATOM 0 HE2 LYS A 466 2.363 14.839 -4.643 1.00 14.31 H new ATOM 0 HE3 LYS A 466 1.726 14.504 -6.242 1.00 14.31 H new ATOM 0 HZ1 LYS A 466 4.115 14.668 -6.266 1.00 34.22 H new ATOM 0 HZ2 LYS A 466 3.435 15.921 -7.189 1.00 34.22 H new ATOM 0 HZ3 LYS A 466 4.052 16.245 -5.640 1.00 34.22 H new ATOM 316 N GLY A 467 -2.948 16.752 -3.210 1.00 21.44 N ATOM 317 CA GLY A 467 -3.381 18.003 -2.669 1.00 64.03 C ATOM 318 C GLY A 467 -2.254 18.742 -1.998 1.00 1.55 C ATOM 319 O GLY A 467 -1.157 18.847 -2.555 1.00 13.55 O ATOM 0 H GLY A 467 -2.799 16.016 -2.520 1.00 21.44 H new ATOM 0 HA2 GLY A 467 -3.796 18.620 -3.466 1.00 64.03 H new ATOM 0 HA3 GLY A 467 -4.182 17.830 -1.950 1.00 64.03 H new ATOM 323 N THR A 468 -2.513 19.212 -0.798 1.00 31.40 N ATOM 324 CA THR A 468 -1.568 19.990 -0.033 1.00 75.50 C ATOM 325 C THR A 468 -0.296 19.188 0.297 1.00 23.13 C ATOM 326 O THR A 468 0.786 19.520 -0.175 1.00 45.34 O ATOM 327 CB THR A 468 -2.236 20.499 1.251 1.00 12.05 C ATOM 328 OG1 THR A 468 -3.463 21.149 0.892 1.00 74.23 O ATOM 329 CG2 THR A 468 -1.340 21.495 1.974 1.00 4.12 C ATOM 0 H THR A 468 -3.401 19.061 -0.320 1.00 31.40 H new ATOM 0 HA THR A 468 -1.260 20.840 -0.642 1.00 75.50 H new ATOM 0 HB THR A 468 -2.419 19.656 1.917 1.00 12.05 H new ATOM 0 HG1 THR A 468 -3.906 21.480 1.701 1.00 74.23 H new ATOM 0 HG21 THR A 468 -1.837 21.840 2.881 1.00 4.12 H new ATOM 0 HG22 THR A 468 -0.399 21.013 2.237 1.00 4.12 H new ATOM 0 HG23 THR A 468 -1.142 22.346 1.322 1.00 4.12 H new ATOM 337 N GLU A 469 -0.423 18.136 1.088 1.00 55.20 N ATOM 338 CA GLU A 469 0.747 17.342 1.429 1.00 61.25 C ATOM 339 C GLU A 469 0.992 16.314 0.350 1.00 15.01 C ATOM 340 O GLU A 469 2.124 15.989 0.024 1.00 61.01 O ATOM 341 CB GLU A 469 0.579 16.671 2.800 1.00 25.01 C ATOM 342 CG GLU A 469 0.358 17.640 3.942 1.00 11.23 C ATOM 343 CD GLU A 469 1.518 18.567 4.141 1.00 4.51 C ATOM 344 OE1 GLU A 469 1.539 19.640 3.531 1.00 63.22 O ATOM 345 OE2 GLU A 469 2.418 18.230 4.923 1.00 53.42 O ATOM 0 H GLU A 469 -1.301 17.817 1.498 1.00 55.20 H new ATOM 0 HA GLU A 469 1.613 18.001 1.494 1.00 61.25 H new ATOM 0 HB2 GLU A 469 -0.265 15.982 2.754 1.00 25.01 H new ATOM 0 HB3 GLU A 469 1.466 16.074 3.011 1.00 25.01 H new ATOM 0 HG2 GLU A 469 -0.541 18.225 3.749 1.00 11.23 H new ATOM 0 HG3 GLU A 469 0.183 17.080 4.861 1.00 11.23 H new ATOM 352 N GLY A 470 -0.098 15.859 -0.242 1.00 50.52 N ATOM 353 CA GLY A 470 -0.038 14.827 -1.254 1.00 54.53 C ATOM 354 C GLY A 470 0.324 13.460 -0.686 1.00 14.40 C ATOM 355 O GLY A 470 1.104 13.359 0.234 1.00 45.01 O ATOM 0 H GLY A 470 -1.040 16.192 -0.035 1.00 50.52 H new ATOM 0 HA2 GLY A 470 -1.003 14.762 -1.757 1.00 54.53 H new ATOM 0 HA3 GLY A 470 0.697 15.107 -2.009 1.00 54.53 H new ATOM 359 N LEU A 471 -0.321 12.434 -1.236 1.00 70.45 N ATOM 360 CA LEU A 471 -0.140 11.014 -0.876 1.00 72.43 C ATOM 361 C LEU A 471 0.031 10.768 0.614 1.00 23.13 C ATOM 362 O LEU A 471 1.133 10.666 1.129 1.00 72.45 O ATOM 363 CB LEU A 471 0.909 10.288 -1.744 1.00 24.10 C ATOM 364 CG LEU A 471 0.576 10.185 -3.253 1.00 35.32 C ATOM 365 CD1 LEU A 471 0.613 11.541 -3.940 1.00 41.31 C ATOM 366 CD2 LEU A 471 1.482 9.195 -3.955 1.00 41.50 C ATOM 0 H LEU A 471 -1.013 12.565 -1.974 1.00 70.45 H new ATOM 0 HA LEU A 471 -1.092 10.545 -1.123 1.00 72.43 H new ATOM 0 HB2 LEU A 471 1.863 10.804 -1.636 1.00 24.10 H new ATOM 0 HB3 LEU A 471 1.045 9.280 -1.351 1.00 24.10 H new ATOM 0 HG LEU A 471 -0.446 9.813 -3.325 1.00 35.32 H new ATOM 0 HD11 LEU A 471 0.373 11.420 -4.996 1.00 41.31 H new ATOM 0 HD12 LEU A 471 -0.117 12.204 -3.476 1.00 41.31 H new ATOM 0 HD13 LEU A 471 1.609 11.972 -3.841 1.00 41.31 H new ATOM 0 HD21 LEU A 471 1.220 9.148 -5.012 1.00 41.50 H new ATOM 0 HD22 LEU A 471 2.519 9.514 -3.852 1.00 41.50 H new ATOM 0 HD23 LEU A 471 1.360 8.209 -3.507 1.00 41.50 H new ATOM 378 N GLY A 472 -1.086 10.672 1.293 1.00 35.54 N ATOM 379 CA GLY A 472 -1.067 10.569 2.727 1.00 23.34 C ATOM 380 C GLY A 472 -1.099 9.152 3.197 1.00 63.33 C ATOM 381 O GLY A 472 -1.948 8.779 3.988 1.00 60.32 O ATOM 0 H GLY A 472 -2.016 10.663 0.875 1.00 35.54 H new ATOM 0 HA2 GLY A 472 -0.171 11.056 3.112 1.00 23.34 H new ATOM 0 HA3 GLY A 472 -1.923 11.105 3.138 1.00 23.34 H new ATOM 385 N PHE A 473 -0.187 8.365 2.719 1.00 4.01 N ATOM 386 CA PHE A 473 -0.130 6.994 3.100 1.00 42.35 C ATOM 387 C PHE A 473 1.278 6.515 3.137 1.00 51.12 C ATOM 388 O PHE A 473 2.111 6.918 2.322 1.00 52.11 O ATOM 389 CB PHE A 473 -1.022 6.092 2.199 1.00 55.21 C ATOM 390 CG PHE A 473 -0.713 6.068 0.707 1.00 13.14 C ATOM 391 CD1 PHE A 473 -0.881 7.203 -0.074 1.00 53.51 C ATOM 392 CD2 PHE A 473 -0.304 4.891 0.085 1.00 40.45 C ATOM 393 CE1 PHE A 473 -0.645 7.170 -1.431 1.00 3.04 C ATOM 394 CE2 PHE A 473 -0.064 4.862 -1.283 1.00 63.31 C ATOM 395 CZ PHE A 473 -0.237 6.006 -2.035 1.00 61.10 C ATOM 0 H PHE A 473 0.534 8.655 2.058 1.00 4.01 H new ATOM 0 HA PHE A 473 -0.539 6.919 4.108 1.00 42.35 H new ATOM 0 HB2 PHE A 473 -0.955 5.071 2.573 1.00 55.21 H new ATOM 0 HB3 PHE A 473 -2.057 6.410 2.324 1.00 55.21 H new ATOM 0 HD1 PHE A 473 -1.201 8.125 0.388 1.00 53.51 H new ATOM 0 HD2 PHE A 473 -0.172 3.993 0.671 1.00 40.45 H new ATOM 0 HE1 PHE A 473 -0.781 8.063 -2.022 1.00 3.04 H new ATOM 0 HE2 PHE A 473 0.257 3.946 -1.757 1.00 63.31 H new ATOM 0 HZ PHE A 473 -0.052 5.986 -3.099 1.00 61.10 H new ATOM 405 N SER A 474 1.544 5.702 4.092 1.00 43.20 N ATOM 406 CA SER A 474 2.814 5.101 4.256 1.00 2.24 C ATOM 407 C SER A 474 2.610 3.612 4.192 1.00 72.44 C ATOM 408 O SER A 474 1.582 3.108 4.660 1.00 25.20 O ATOM 409 CB SER A 474 3.394 5.510 5.602 1.00 72.22 C ATOM 410 OG SER A 474 3.448 6.933 5.711 1.00 33.01 O ATOM 0 H SER A 474 0.864 5.429 4.801 1.00 43.20 H new ATOM 0 HA SER A 474 3.511 5.418 3.480 1.00 2.24 H new ATOM 0 HB2 SER A 474 2.784 5.100 6.407 1.00 72.22 H new ATOM 0 HB3 SER A 474 4.394 5.092 5.716 1.00 72.22 H new ATOM 0 HG SER A 474 3.822 7.180 6.583 1.00 33.01 H new ATOM 416 N ILE A 475 3.534 2.915 3.622 1.00 61.11 N ATOM 417 CA ILE A 475 3.397 1.495 3.454 1.00 34.41 C ATOM 418 C ILE A 475 4.334 0.732 4.345 1.00 51.43 C ATOM 419 O ILE A 475 5.338 1.263 4.829 1.00 23.13 O ATOM 420 CB ILE A 475 3.630 1.058 1.995 1.00 2.15 C ATOM 421 CG1 ILE A 475 4.968 1.603 1.477 1.00 31.34 C ATOM 422 CG2 ILE A 475 2.461 1.463 1.105 1.00 34.12 C ATOM 423 CD1 ILE A 475 5.315 1.159 0.079 1.00 24.53 C ATOM 0 H ILE A 475 4.404 3.304 3.259 1.00 61.11 H new ATOM 0 HA ILE A 475 2.369 1.263 3.733 1.00 34.41 H new ATOM 0 HB ILE A 475 3.686 -0.030 1.964 1.00 2.15 H new ATOM 0 HG12 ILE A 475 4.939 2.692 1.504 1.00 31.34 H new ATOM 0 HG13 ILE A 475 5.762 1.289 2.154 1.00 31.34 H new ATOM 0 HG21 ILE A 475 2.654 1.141 0.082 1.00 34.12 H new ATOM 0 HG22 ILE A 475 1.547 0.991 1.467 1.00 34.12 H new ATOM 0 HG23 ILE A 475 2.344 2.546 1.129 1.00 34.12 H new ATOM 0 HD11 ILE A 475 6.274 1.587 -0.211 1.00 24.53 H new ATOM 0 HD12 ILE A 475 5.379 0.071 0.048 1.00 24.53 H new ATOM 0 HD13 ILE A 475 4.543 1.497 -0.612 1.00 24.53 H new ATOM 435 N THR A 476 3.988 -0.486 4.567 1.00 74.11 N ATOM 436 CA THR A 476 4.767 -1.401 5.310 1.00 44.13 C ATOM 437 C THR A 476 4.825 -2.671 4.507 1.00 24.33 C ATOM 438 O THR A 476 4.004 -2.874 3.616 1.00 5.14 O ATOM 439 CB THR A 476 4.165 -1.663 6.728 1.00 75.14 C ATOM 440 OG1 THR A 476 4.964 -2.581 7.474 1.00 64.35 O ATOM 441 CG2 THR A 476 2.733 -2.144 6.665 1.00 52.13 C ATOM 0 H THR A 476 3.116 -0.885 4.219 1.00 74.11 H new ATOM 0 HA THR A 476 5.765 -0.996 5.479 1.00 44.13 H new ATOM 0 HB THR A 476 4.168 -0.703 7.244 1.00 75.14 H new ATOM 0 HG1 THR A 476 4.562 -2.723 8.356 1.00 64.35 H new ATOM 0 HG21 THR A 476 2.361 -2.312 7.676 1.00 52.13 H new ATOM 0 HG22 THR A 476 2.118 -1.391 6.172 1.00 52.13 H new ATOM 0 HG23 THR A 476 2.687 -3.076 6.102 1.00 52.13 H new ATOM 449 N SER A 477 5.772 -3.477 4.760 1.00 10.35 N ATOM 450 CA SER A 477 5.892 -4.687 4.057 1.00 12.13 C ATOM 451 C SER A 477 6.043 -5.807 5.039 1.00 34.31 C ATOM 452 O SER A 477 6.641 -5.629 6.105 1.00 24.31 O ATOM 453 CB SER A 477 7.092 -4.615 3.085 1.00 73.23 C ATOM 454 OG SER A 477 8.295 -4.273 3.769 1.00 51.53 O ATOM 0 H SER A 477 6.492 -3.318 5.465 1.00 10.35 H new ATOM 0 HA SER A 477 4.998 -4.868 3.461 1.00 12.13 H new ATOM 0 HB2 SER A 477 7.216 -5.576 2.586 1.00 73.23 H new ATOM 0 HB3 SER A 477 6.890 -3.876 2.309 1.00 73.23 H new ATOM 0 HG SER A 477 9.036 -4.237 3.129 1.00 51.53 H new ATOM 580 N PRO A 487 5.593 -8.485 -0.107 1.00 53.40 N ATOM 581 CA PRO A 487 4.216 -7.994 -0.055 1.00 14.13 C ATOM 582 C PRO A 487 4.129 -6.610 0.621 1.00 32.34 C ATOM 583 O PRO A 487 4.727 -6.382 1.694 1.00 14.31 O ATOM 584 CB PRO A 487 3.497 -9.054 0.784 1.00 64.35 C ATOM 585 CG PRO A 487 4.564 -9.642 1.647 1.00 3.15 C ATOM 586 CD PRO A 487 5.832 -9.591 0.842 1.00 4.20 C ATOM 0 HA PRO A 487 3.783 -7.858 -1.046 1.00 14.13 H new ATOM 0 HB2 PRO A 487 2.702 -8.612 1.384 1.00 64.35 H new ATOM 0 HB3 PRO A 487 3.036 -9.813 0.152 1.00 64.35 H new ATOM 0 HG2 PRO A 487 4.669 -9.079 2.574 1.00 3.15 H new ATOM 0 HG3 PRO A 487 4.320 -10.668 1.923 1.00 3.15 H new ATOM 0 HD2 PRO A 487 6.700 -9.399 1.472 1.00 4.20 H new ATOM 0 HD3 PRO A 487 6.017 -10.532 0.324 1.00 4.20 H new ATOM 594 N ILE A 488 3.367 -5.714 0.012 1.00 74.23 N ATOM 595 CA ILE A 488 3.244 -4.335 0.469 1.00 54.40 C ATOM 596 C ILE A 488 1.841 -4.100 1.062 1.00 53.25 C ATOM 597 O ILE A 488 0.844 -4.535 0.494 1.00 31.42 O ATOM 598 CB ILE A 488 3.465 -3.351 -0.724 1.00 20.21 C ATOM 599 CG1 ILE A 488 4.810 -3.628 -1.440 1.00 4.34 C ATOM 600 CG2 ILE A 488 3.407 -1.905 -0.255 1.00 15.35 C ATOM 601 CD1 ILE A 488 6.041 -3.486 -0.557 1.00 24.21 C ATOM 0 H ILE A 488 2.813 -5.923 -0.818 1.00 74.23 H new ATOM 0 HA ILE A 488 4.000 -4.155 1.233 1.00 54.40 H new ATOM 0 HB ILE A 488 2.658 -3.517 -1.438 1.00 20.21 H new ATOM 0 HG12 ILE A 488 4.787 -4.638 -1.849 1.00 4.34 H new ATOM 0 HG13 ILE A 488 4.904 -2.945 -2.284 1.00 4.34 H new ATOM 0 HG21 ILE A 488 3.564 -1.240 -1.105 1.00 15.35 H new ATOM 0 HG22 ILE A 488 2.431 -1.705 0.187 1.00 15.35 H new ATOM 0 HG23 ILE A 488 4.185 -1.732 0.489 1.00 15.35 H new ATOM 0 HD11 ILE A 488 6.935 -3.698 -1.143 1.00 24.21 H new ATOM 0 HD12 ILE A 488 6.095 -2.469 -0.168 1.00 24.21 H new ATOM 0 HD13 ILE A 488 5.976 -4.189 0.274 1.00 24.21 H new ATOM 613 N TYR A 489 1.778 -3.414 2.186 1.00 51.22 N ATOM 614 CA TYR A 489 0.526 -3.138 2.883 1.00 62.33 C ATOM 615 C TYR A 489 0.503 -1.711 3.384 1.00 61.02 C ATOM 616 O TYR A 489 1.554 -1.099 3.546 1.00 33.35 O ATOM 617 CB TYR A 489 0.321 -4.111 4.061 1.00 23.53 C ATOM 618 CG TYR A 489 0.070 -5.540 3.642 1.00 65.52 C ATOM 619 CD1 TYR A 489 -1.191 -5.936 3.259 1.00 12.23 C ATOM 620 CD2 TYR A 489 1.089 -6.484 3.605 1.00 70.22 C ATOM 621 CE1 TYR A 489 -1.446 -7.223 2.852 1.00 11.50 C ATOM 622 CE2 TYR A 489 0.837 -7.784 3.190 1.00 42.40 C ATOM 623 CZ TYR A 489 -0.440 -8.139 2.815 1.00 0.14 C ATOM 624 OH TYR A 489 -0.712 -9.421 2.395 1.00 44.33 O ATOM 0 H TYR A 489 2.599 -3.026 2.650 1.00 51.22 H new ATOM 0 HA TYR A 489 -0.289 -3.279 2.173 1.00 62.33 H new ATOM 0 HB2 TYR A 489 1.203 -4.081 4.701 1.00 23.53 H new ATOM 0 HB3 TYR A 489 -0.521 -3.766 4.661 1.00 23.53 H new ATOM 0 HD1 TYR A 489 -1.998 -5.219 3.279 1.00 12.23 H new ATOM 0 HD2 TYR A 489 2.088 -6.203 3.903 1.00 70.22 H new ATOM 0 HE1 TYR A 489 -2.446 -7.508 2.561 1.00 11.50 H new ATOM 0 HE2 TYR A 489 1.635 -8.511 3.161 1.00 42.40 H new ATOM 0 HH TYR A 489 0.109 -9.956 2.423 1.00 44.33 H new ATOM 634 N VAL A 490 -0.681 -1.173 3.622 1.00 1.52 N ATOM 635 CA VAL A 490 -0.798 0.187 4.126 1.00 44.21 C ATOM 636 C VAL A 490 -0.412 0.181 5.593 1.00 24.30 C ATOM 637 O VAL A 490 -1.033 -0.527 6.393 1.00 44.44 O ATOM 638 CB VAL A 490 -2.242 0.768 4.033 1.00 54.34 C ATOM 639 CG1 VAL A 490 -2.222 2.263 4.315 1.00 70.14 C ATOM 640 CG2 VAL A 490 -2.917 0.478 2.710 1.00 60.11 C ATOM 0 H VAL A 490 -1.570 -1.652 3.476 1.00 1.52 H new ATOM 0 HA VAL A 490 -0.149 0.809 3.510 1.00 44.21 H new ATOM 0 HB VAL A 490 -2.838 0.263 4.793 1.00 54.34 H new ATOM 0 HG11 VAL A 490 -3.235 2.660 4.248 1.00 70.14 H new ATOM 0 HG12 VAL A 490 -1.829 2.439 5.316 1.00 70.14 H new ATOM 0 HG13 VAL A 490 -1.587 2.763 3.583 1.00 70.14 H new ATOM 0 HG21 VAL A 490 -3.918 0.909 2.710 1.00 60.11 H new ATOM 0 HG22 VAL A 490 -2.333 0.916 1.900 1.00 60.11 H new ATOM 0 HG23 VAL A 490 -2.986 -0.600 2.566 1.00 60.11 H new ATOM 650 N LYS A 491 0.584 0.952 5.939 1.00 2.33 N ATOM 651 CA LYS A 491 1.057 1.018 7.302 1.00 4.02 C ATOM 652 C LYS A 491 0.233 2.026 8.082 1.00 41.33 C ATOM 653 O LYS A 491 -0.418 1.686 9.070 1.00 12.32 O ATOM 654 CB LYS A 491 2.534 1.453 7.340 1.00 54.35 C ATOM 655 CG LYS A 491 3.122 1.505 8.739 1.00 0.55 C ATOM 656 CD LYS A 491 4.531 2.074 8.743 1.00 51.02 C ATOM 657 CE LYS A 491 5.589 1.156 8.139 1.00 44.10 C ATOM 658 NZ LYS A 491 5.795 -0.097 8.925 1.00 74.15 N ATOM 0 H LYS A 491 1.091 1.552 5.288 1.00 2.33 H new ATOM 0 HA LYS A 491 0.960 0.028 7.747 1.00 4.02 H new ATOM 0 HB2 LYS A 491 3.122 0.763 6.734 1.00 54.35 H new ATOM 0 HB3 LYS A 491 2.625 2.437 6.881 1.00 54.35 H new ATOM 0 HG2 LYS A 491 2.483 2.114 9.378 1.00 0.55 H new ATOM 0 HG3 LYS A 491 3.135 0.502 9.164 1.00 0.55 H new ATOM 0 HD2 LYS A 491 4.530 3.016 8.194 1.00 51.02 H new ATOM 0 HD3 LYS A 491 4.813 2.304 9.770 1.00 51.02 H new ATOM 0 HE2 LYS A 491 5.298 0.896 7.121 1.00 44.10 H new ATOM 0 HE3 LYS A 491 6.534 1.695 8.072 1.00 44.10 H new ATOM 0 HZ1 LYS A 491 5.904 -0.901 8.274 1.00 74.15 H new ATOM 0 HZ2 LYS A 491 6.652 -0.005 9.507 1.00 74.15 H new ATOM 0 HZ3 LYS A 491 4.973 -0.259 9.542 1.00 74.15 H new ATOM 672 N ASN A 492 0.243 3.255 7.611 1.00 23.31 N ATOM 673 CA ASN A 492 -0.389 4.349 8.316 1.00 40.22 C ATOM 674 C ASN A 492 -0.933 5.317 7.288 1.00 5.14 C ATOM 675 O ASN A 492 -0.366 5.450 6.189 1.00 11.41 O ATOM 676 CB ASN A 492 0.678 5.071 9.164 1.00 13.42 C ATOM 677 CG ASN A 492 0.134 6.052 10.214 1.00 61.30 C ATOM 678 OD1 ASN A 492 -0.921 6.654 10.056 1.00 24.22 O ATOM 679 ND2 ASN A 492 0.873 6.221 11.292 1.00 63.22 N ATOM 0 H ASN A 492 0.687 3.523 6.733 1.00 23.31 H new ATOM 0 HA ASN A 492 -1.190 3.983 8.958 1.00 40.22 H new ATOM 0 HB2 ASN A 492 1.283 4.320 9.672 1.00 13.42 H new ATOM 0 HB3 ASN A 492 1.343 5.615 8.493 1.00 13.42 H new ATOM 0 HD21 ASN A 492 0.571 6.867 12.022 1.00 63.22 H new ATOM 0 HD22 ASN A 492 1.747 5.706 11.397 1.00 63.22 H new ATOM 686 N ILE A 493 -2.011 5.951 7.618 1.00 41.14 N ATOM 687 CA ILE A 493 -2.604 6.963 6.796 1.00 20.44 C ATOM 688 C ILE A 493 -2.406 8.299 7.460 1.00 61.04 C ATOM 689 O ILE A 493 -2.975 8.573 8.527 1.00 15.43 O ATOM 690 CB ILE A 493 -4.109 6.675 6.554 1.00 51.31 C ATOM 691 CG1 ILE A 493 -4.273 5.450 5.671 1.00 2.24 C ATOM 692 CG2 ILE A 493 -4.845 7.867 5.956 1.00 54.23 C ATOM 693 CD1 ILE A 493 -3.777 5.615 4.253 1.00 32.42 C ATOM 0 H ILE A 493 -2.518 5.778 8.486 1.00 41.14 H new ATOM 0 HA ILE A 493 -2.121 6.968 5.819 1.00 20.44 H new ATOM 0 HB ILE A 493 -4.560 6.483 7.527 1.00 51.31 H new ATOM 0 HG12 ILE A 493 -3.743 4.616 6.131 1.00 2.24 H new ATOM 0 HG13 ILE A 493 -5.329 5.180 5.642 1.00 2.24 H new ATOM 0 HG21 ILE A 493 -5.894 7.610 5.808 1.00 54.23 H new ATOM 0 HG22 ILE A 493 -4.772 8.717 6.634 1.00 54.23 H new ATOM 0 HG23 ILE A 493 -4.396 8.128 4.998 1.00 54.23 H new ATOM 0 HD11 ILE A 493 -3.937 4.689 3.701 1.00 32.42 H new ATOM 0 HD12 ILE A 493 -4.323 6.425 3.768 1.00 32.42 H new ATOM 0 HD13 ILE A 493 -2.713 5.851 4.265 1.00 32.42 H new ATOM 705 N LEU A 494 -1.554 9.090 6.860 1.00 70.14 N ATOM 706 CA LEU A 494 -1.242 10.433 7.319 1.00 33.45 C ATOM 707 C LEU A 494 -2.524 11.277 7.486 1.00 74.33 C ATOM 708 O LEU A 494 -3.533 11.035 6.822 1.00 4.50 O ATOM 709 CB LEU A 494 -0.270 11.110 6.328 1.00 41.40 C ATOM 710 CG LEU A 494 1.090 10.417 6.134 1.00 32.12 C ATOM 711 CD1 LEU A 494 1.947 11.185 5.144 1.00 15.11 C ATOM 712 CD2 LEU A 494 1.821 10.268 7.461 1.00 53.21 C ATOM 0 H LEU A 494 -1.043 8.819 6.020 1.00 70.14 H new ATOM 0 HA LEU A 494 -0.764 10.363 8.296 1.00 33.45 H new ATOM 0 HB2 LEU A 494 -0.762 11.178 5.358 1.00 41.40 H new ATOM 0 HB3 LEU A 494 -0.090 12.130 6.667 1.00 41.40 H new ATOM 0 HG LEU A 494 0.903 9.421 5.733 1.00 32.12 H new ATOM 0 HD11 LEU A 494 2.904 10.678 5.021 1.00 15.11 H new ATOM 0 HD12 LEU A 494 1.436 11.234 4.182 1.00 15.11 H new ATOM 0 HD13 LEU A 494 2.117 12.195 5.517 1.00 15.11 H new ATOM 0 HD21 LEU A 494 2.779 9.775 7.295 1.00 53.21 H new ATOM 0 HD22 LEU A 494 1.990 11.253 7.896 1.00 53.21 H new ATOM 0 HD23 LEU A 494 1.218 9.669 8.143 1.00 53.21 H new ATOM 724 N PRO A 495 -2.486 12.305 8.360 1.00 40.35 N ATOM 725 CA PRO A 495 -3.669 13.172 8.686 1.00 14.32 C ATOM 726 C PRO A 495 -3.981 14.120 7.574 1.00 32.15 C ATOM 727 O PRO A 495 -4.909 14.898 7.661 1.00 34.04 O ATOM 728 CB PRO A 495 -3.117 13.996 9.842 1.00 32.21 C ATOM 729 CG PRO A 495 -1.694 14.153 9.447 1.00 23.12 C ATOM 730 CD PRO A 495 -1.288 12.765 9.114 1.00 51.13 C ATOM 0 HA PRO A 495 -4.574 12.596 8.881 1.00 14.32 H new ATOM 0 HB2 PRO A 495 -3.623 14.956 9.939 1.00 32.21 H new ATOM 0 HB3 PRO A 495 -3.222 13.483 10.798 1.00 32.21 H new ATOM 0 HG2 PRO A 495 -1.583 14.822 8.594 1.00 23.12 H new ATOM 0 HG3 PRO A 495 -1.093 14.567 10.257 1.00 23.12 H new ATOM 0 HD2 PRO A 495 -0.381 12.732 8.511 1.00 51.13 H new ATOM 0 HD3 PRO A 495 -1.102 12.163 10.003 1.00 51.13 H new ATOM 738 N ARG A 496 -3.184 14.060 6.565 1.00 51.20 N ATOM 739 CA ARG A 496 -3.239 14.937 5.468 1.00 4.02 C ATOM 740 C ARG A 496 -2.742 14.203 4.238 1.00 63.31 C ATOM 741 O ARG A 496 -2.769 12.973 4.175 1.00 23.43 O ATOM 742 CB ARG A 496 -2.388 16.197 5.762 1.00 55.33 C ATOM 743 CG ARG A 496 -2.960 17.134 6.819 1.00 51.05 C ATOM 744 CD ARG A 496 -2.052 18.318 7.095 1.00 61.24 C ATOM 745 NE ARG A 496 -2.654 19.244 8.067 1.00 51.32 N ATOM 746 CZ ARG A 496 -2.017 20.261 8.670 1.00 65.32 C ATOM 747 NH1 ARG A 496 -0.716 20.447 8.479 1.00 11.41 N ATOM 748 NH2 ARG A 496 -2.681 21.077 9.487 1.00 3.41 N ATOM 0 H ARG A 496 -2.444 13.362 6.487 1.00 51.20 H new ATOM 0 HA ARG A 496 -4.263 15.266 5.290 1.00 4.02 H new ATOM 0 HB2 ARG A 496 -1.395 15.879 6.080 1.00 55.33 H new ATOM 0 HB3 ARG A 496 -2.262 16.755 4.834 1.00 55.33 H new ATOM 0 HG2 ARG A 496 -3.934 17.496 6.491 1.00 51.05 H new ATOM 0 HG3 ARG A 496 -3.121 16.579 7.744 1.00 51.05 H new ATOM 0 HD2 ARG A 496 -1.094 17.963 7.475 1.00 61.24 H new ATOM 0 HD3 ARG A 496 -1.849 18.847 6.164 1.00 61.24 H new ATOM 0 HE ARG A 496 -3.636 19.102 8.302 1.00 51.32 H new ATOM 0 HH11 ARG A 496 -0.194 19.815 7.871 1.00 11.41 H new ATOM 0 HH12 ARG A 496 -0.238 21.221 8.940 1.00 11.41 H new ATOM 0 HH21 ARG A 496 -3.676 20.930 9.656 1.00 3.41 H new ATOM 0 HH22 ARG A 496 -2.194 21.848 9.943 1.00 3.41 H new ATOM 762 N GLY A 497 -2.313 14.939 3.287 1.00 71.35 N ATOM 763 CA GLY A 497 -1.890 14.380 2.033 1.00 3.14 C ATOM 764 C GLY A 497 -3.056 14.131 1.124 1.00 40.42 C ATOM 765 O GLY A 497 -4.124 14.679 1.332 1.00 30.22 O ATOM 0 H GLY A 497 -2.239 15.955 3.342 1.00 71.35 H new ATOM 0 HA2 GLY A 497 -1.188 15.059 1.549 1.00 3.14 H new ATOM 0 HA3 GLY A 497 -1.359 13.445 2.210 1.00 3.14 H new ATOM 769 N ALA A 498 -2.856 13.319 0.109 1.00 23.03 N ATOM 770 CA ALA A 498 -3.902 13.037 -0.855 1.00 74.51 C ATOM 771 C ALA A 498 -4.986 12.193 -0.238 1.00 73.43 C ATOM 772 O ALA A 498 -6.143 12.277 -0.629 1.00 63.54 O ATOM 773 CB ALA A 498 -3.344 12.337 -2.082 1.00 30.03 C ATOM 0 H ALA A 498 -1.974 12.839 -0.072 1.00 23.03 H new ATOM 0 HA ALA A 498 -4.328 13.992 -1.163 1.00 74.51 H new ATOM 0 HB1 ALA A 498 -4.152 12.139 -2.787 1.00 30.03 H new ATOM 0 HB2 ALA A 498 -2.597 12.974 -2.556 1.00 30.03 H new ATOM 0 HB3 ALA A 498 -2.882 11.395 -1.785 1.00 30.03 H new ATOM 779 N ALA A 499 -4.589 11.400 0.766 1.00 43.42 N ATOM 780 CA ALA A 499 -5.465 10.423 1.394 1.00 54.03 C ATOM 781 C ALA A 499 -6.684 11.058 1.982 1.00 71.22 C ATOM 782 O ALA A 499 -7.766 10.541 1.861 1.00 11.13 O ATOM 783 CB ALA A 499 -4.722 9.622 2.443 1.00 55.44 C ATOM 0 H ALA A 499 -3.649 11.424 1.161 1.00 43.42 H new ATOM 0 HA ALA A 499 -5.797 9.743 0.610 1.00 54.03 H new ATOM 0 HB1 ALA A 499 -5.400 8.899 2.897 1.00 55.44 H new ATOM 0 HB2 ALA A 499 -3.889 9.095 1.977 1.00 55.44 H new ATOM 0 HB3 ALA A 499 -4.341 10.294 3.212 1.00 55.44 H new ATOM 789 N ILE A 500 -6.496 12.179 2.605 1.00 44.31 N ATOM 790 CA ILE A 500 -7.574 12.888 3.234 1.00 11.42 C ATOM 791 C ILE A 500 -8.398 13.683 2.212 1.00 12.23 C ATOM 792 O ILE A 500 -9.590 13.894 2.397 1.00 32.50 O ATOM 793 CB ILE A 500 -7.029 13.786 4.335 1.00 44.35 C ATOM 794 CG1 ILE A 500 -8.124 14.318 5.239 1.00 21.43 C ATOM 795 CG2 ILE A 500 -6.216 14.938 3.745 1.00 52.31 C ATOM 796 CD1 ILE A 500 -7.571 15.076 6.412 1.00 32.43 C ATOM 0 H ILE A 500 -5.587 12.633 2.694 1.00 44.31 H new ATOM 0 HA ILE A 500 -8.251 12.162 3.684 1.00 11.42 H new ATOM 0 HB ILE A 500 -6.372 13.170 4.950 1.00 44.35 H new ATOM 0 HG12 ILE A 500 -8.783 14.970 4.665 1.00 21.43 H new ATOM 0 HG13 ILE A 500 -8.732 13.488 5.599 1.00 21.43 H new ATOM 0 HG21 ILE A 500 -5.837 15.566 4.551 1.00 52.31 H new ATOM 0 HG22 ILE A 500 -5.379 14.537 3.173 1.00 52.31 H new ATOM 0 HG23 ILE A 500 -6.851 15.533 3.089 1.00 52.31 H new ATOM 0 HD11 ILE A 500 -8.392 15.438 7.031 1.00 32.43 H new ATOM 0 HD12 ILE A 500 -6.934 14.418 7.003 1.00 32.43 H new ATOM 0 HD13 ILE A 500 -6.985 15.923 6.055 1.00 32.43 H new ATOM 808 N GLN A 501 -7.740 14.112 1.127 1.00 73.42 N ATOM 809 CA GLN A 501 -8.401 14.885 0.080 1.00 73.03 C ATOM 810 C GLN A 501 -9.491 14.048 -0.544 1.00 31.11 C ATOM 811 O GLN A 501 -10.625 14.509 -0.740 1.00 61.34 O ATOM 812 CB GLN A 501 -7.410 15.291 -1.028 1.00 51.41 C ATOM 813 CG GLN A 501 -6.193 16.073 -0.567 1.00 41.30 C ATOM 814 CD GLN A 501 -6.533 17.365 0.135 1.00 31.44 C ATOM 815 OE1 GLN A 501 -6.692 17.392 1.346 1.00 25.22 O ATOM 816 NE2 GLN A 501 -6.634 18.430 -0.609 1.00 20.01 N ATOM 0 H GLN A 501 -6.750 13.934 0.956 1.00 73.42 H new ATOM 0 HA GLN A 501 -8.811 15.786 0.536 1.00 73.03 H new ATOM 0 HB2 GLN A 501 -7.069 14.388 -1.534 1.00 51.41 H new ATOM 0 HB3 GLN A 501 -7.944 15.888 -1.767 1.00 51.41 H new ATOM 0 HG2 GLN A 501 -5.604 15.449 0.105 1.00 41.30 H new ATOM 0 HG3 GLN A 501 -5.565 16.293 -1.430 1.00 41.30 H new ATOM 0 HE21 GLN A 501 -6.493 18.363 -1.617 1.00 20.01 H new ATOM 0 HE22 GLN A 501 -6.854 19.331 -0.183 1.00 20.01 H new ATOM 825 N ASP A 502 -9.150 12.810 -0.841 1.00 21.20 N ATOM 826 CA ASP A 502 -10.086 11.922 -1.494 1.00 43.04 C ATOM 827 C ASP A 502 -10.832 11.100 -0.459 1.00 12.31 C ATOM 828 O ASP A 502 -12.005 10.800 -0.630 1.00 31.42 O ATOM 829 CB ASP A 502 -9.372 11.014 -2.472 1.00 51.04 C ATOM 830 CG ASP A 502 -10.306 10.393 -3.479 1.00 42.21 C ATOM 831 OD1 ASP A 502 -10.621 11.074 -4.483 1.00 43.02 O ATOM 832 OD2 ASP A 502 -10.728 9.237 -3.307 1.00 51.43 O ATOM 0 H ASP A 502 -8.238 12.400 -0.642 1.00 21.20 H new ATOM 0 HA ASP A 502 -10.803 12.525 -2.051 1.00 43.04 H new ATOM 0 HB2 ASP A 502 -8.605 11.584 -2.997 1.00 51.04 H new ATOM 0 HB3 ASP A 502 -8.861 10.224 -1.921 1.00 51.04 H new ATOM 837 N GLY A 503 -10.145 10.736 0.636 1.00 1.41 N ATOM 838 CA GLY A 503 -10.805 10.031 1.713 1.00 25.50 C ATOM 839 C GLY A 503 -10.937 8.511 1.560 1.00 11.24 C ATOM 840 O GLY A 503 -10.990 7.797 2.563 1.00 44.30 O ATOM 0 H GLY A 503 -9.153 10.920 0.785 1.00 1.41 H new ATOM 0 HA2 GLY A 503 -10.262 10.235 2.636 1.00 25.50 H new ATOM 0 HA3 GLY A 503 -11.804 10.449 1.832 1.00 25.50 H new ATOM 844 N ARG A 504 -10.984 8.013 0.331 1.00 33.22 N ATOM 845 CA ARG A 504 -11.230 6.567 0.082 1.00 32.21 C ATOM 846 C ARG A 504 -10.092 5.650 0.536 1.00 52.21 C ATOM 847 O ARG A 504 -10.262 4.433 0.614 1.00 75.44 O ATOM 848 CB ARG A 504 -11.510 6.304 -1.386 1.00 63.54 C ATOM 849 CG ARG A 504 -12.774 6.924 -1.921 1.00 63.42 C ATOM 850 CD ARG A 504 -12.928 6.629 -3.408 1.00 35.52 C ATOM 851 NE ARG A 504 -12.993 5.181 -3.709 1.00 10.14 N ATOM 852 CZ ARG A 504 -12.791 4.633 -4.929 1.00 71.22 C ATOM 853 NH1 ARG A 504 -12.428 5.397 -5.952 1.00 31.02 N ATOM 854 NH2 ARG A 504 -12.932 3.313 -5.109 1.00 2.34 N ATOM 0 H ARG A 504 -10.858 8.570 -0.514 1.00 33.22 H new ATOM 0 HA ARG A 504 -12.103 6.327 0.689 1.00 32.21 H new ATOM 0 HB2 ARG A 504 -10.668 6.673 -1.971 1.00 63.54 H new ATOM 0 HB3 ARG A 504 -11.559 5.226 -1.542 1.00 63.54 H new ATOM 0 HG2 ARG A 504 -13.635 6.536 -1.377 1.00 63.42 H new ATOM 0 HG3 ARG A 504 -12.754 8.002 -1.759 1.00 63.42 H new ATOM 0 HD2 ARG A 504 -13.833 7.112 -3.776 1.00 35.52 H new ATOM 0 HD3 ARG A 504 -12.090 7.069 -3.948 1.00 35.52 H new ATOM 0 HE ARG A 504 -13.206 4.548 -2.938 1.00 10.14 H new ATOM 0 HH11 ARG A 504 -12.301 6.400 -5.819 1.00 31.02 H new ATOM 0 HH12 ARG A 504 -12.276 4.981 -6.871 1.00 31.02 H new ATOM 0 HH21 ARG A 504 -13.193 2.716 -4.324 1.00 2.34 H new ATOM 0 HH22 ARG A 504 -12.779 2.905 -6.031 1.00 2.34 H new ATOM 868 N LEU A 505 -8.963 6.203 0.822 1.00 51.24 N ATOM 869 CA LEU A 505 -7.816 5.395 1.177 1.00 15.23 C ATOM 870 C LEU A 505 -7.647 5.313 2.695 1.00 53.23 C ATOM 871 O LEU A 505 -7.574 6.340 3.371 1.00 21.30 O ATOM 872 CB LEU A 505 -6.568 5.967 0.511 1.00 4.33 C ATOM 873 CG LEU A 505 -5.270 5.183 0.688 1.00 41.13 C ATOM 874 CD1 LEU A 505 -5.403 3.772 0.122 1.00 2.34 C ATOM 875 CD2 LEU A 505 -4.140 5.914 0.010 1.00 64.54 C ATOM 0 H LEU A 505 -8.796 7.209 0.821 1.00 51.24 H new ATOM 0 HA LEU A 505 -7.973 4.378 0.818 1.00 15.23 H new ATOM 0 HB2 LEU A 505 -6.766 6.060 -0.557 1.00 4.33 H new ATOM 0 HB3 LEU A 505 -6.411 6.975 0.895 1.00 4.33 H new ATOM 0 HG LEU A 505 -5.057 5.099 1.754 1.00 41.13 H new ATOM 0 HD11 LEU A 505 -4.465 3.234 0.261 1.00 2.34 H new ATOM 0 HD12 LEU A 505 -6.203 3.245 0.642 1.00 2.34 H new ATOM 0 HD13 LEU A 505 -5.636 3.827 -0.941 1.00 2.34 H new ATOM 0 HD21 LEU A 505 -3.215 5.352 0.138 1.00 64.54 H new ATOM 0 HD22 LEU A 505 -4.359 6.016 -1.053 1.00 64.54 H new ATOM 0 HD23 LEU A 505 -4.028 6.903 0.454 1.00 64.54 H new ATOM 887 N LYS A 506 -7.600 4.091 3.226 1.00 2.35 N ATOM 888 CA LYS A 506 -7.416 3.886 4.652 1.00 42.24 C ATOM 889 C LYS A 506 -6.375 2.772 4.945 1.00 11.25 C ATOM 890 O LYS A 506 -6.035 1.986 4.050 1.00 72.11 O ATOM 891 CB LYS A 506 -8.775 3.718 5.391 1.00 75.50 C ATOM 892 CG LYS A 506 -9.688 2.570 4.920 1.00 55.01 C ATOM 893 CD LYS A 506 -9.227 1.190 5.383 1.00 3.11 C ATOM 894 CE LYS A 506 -9.239 1.074 6.909 1.00 61.52 C ATOM 895 NZ LYS A 506 -10.568 1.354 7.490 1.00 14.52 N ATOM 0 H LYS A 506 -7.687 3.231 2.684 1.00 2.35 H new ATOM 0 HA LYS A 506 -6.980 4.792 5.073 1.00 42.24 H new ATOM 0 HB2 LYS A 506 -8.569 3.574 6.452 1.00 75.50 H new ATOM 0 HB3 LYS A 506 -9.329 4.652 5.298 1.00 75.50 H new ATOM 0 HG2 LYS A 506 -10.699 2.748 5.287 1.00 55.01 H new ATOM 0 HG3 LYS A 506 -9.738 2.580 3.831 1.00 55.01 H new ATOM 0 HD2 LYS A 506 -9.876 0.426 4.954 1.00 3.11 H new ATOM 0 HD3 LYS A 506 -8.221 0.998 5.011 1.00 3.11 H new ATOM 0 HE2 LYS A 506 -8.925 0.070 7.196 1.00 61.52 H new ATOM 0 HE3 LYS A 506 -8.510 1.768 7.328 1.00 61.52 H new ATOM 0 HZ1 LYS A 506 -10.577 1.068 8.490 1.00 14.52 H new ATOM 0 HZ2 LYS A 506 -10.770 2.372 7.419 1.00 14.52 H new ATOM 0 HZ3 LYS A 506 -11.294 0.820 6.970 1.00 14.52 H new ATOM 909 N ALA A 507 -5.881 2.715 6.185 1.00 64.34 N ATOM 910 CA ALA A 507 -4.778 1.821 6.550 1.00 54.22 C ATOM 911 C ALA A 507 -5.214 0.402 6.850 1.00 43.31 C ATOM 912 O ALA A 507 -6.376 0.141 7.150 1.00 25.24 O ATOM 913 CB ALA A 507 -3.976 2.395 7.715 1.00 11.51 C ATOM 0 H ALA A 507 -6.230 3.282 6.958 1.00 64.34 H new ATOM 0 HA ALA A 507 -4.140 1.760 5.668 1.00 54.22 H new ATOM 0 HB1 ALA A 507 -3.163 1.714 7.968 1.00 11.51 H new ATOM 0 HB2 ALA A 507 -3.563 3.363 7.431 1.00 11.51 H new ATOM 0 HB3 ALA A 507 -4.628 2.518 8.580 1.00 11.51 H new ATOM 919 N GLY A 508 -4.260 -0.505 6.783 1.00 15.23 N ATOM 920 CA GLY A 508 -4.522 -1.902 7.041 1.00 32.41 C ATOM 921 C GLY A 508 -5.160 -2.590 5.862 1.00 32.12 C ATOM 922 O GLY A 508 -6.147 -3.314 6.013 1.00 1.02 O ATOM 0 H GLY A 508 -3.290 -0.294 6.550 1.00 15.23 H new ATOM 0 HA2 GLY A 508 -3.588 -2.405 7.291 1.00 32.41 H new ATOM 0 HA3 GLY A 508 -5.175 -1.993 7.909 1.00 32.41 H new ATOM 926 N ASP A 509 -4.616 -2.368 4.697 1.00 42.54 N ATOM 927 CA ASP A 509 -5.133 -2.984 3.491 1.00 32.33 C ATOM 928 C ASP A 509 -3.927 -3.294 2.609 1.00 0.43 C ATOM 929 O ASP A 509 -2.794 -2.956 3.000 1.00 62.54 O ATOM 930 CB ASP A 509 -6.112 -2.030 2.796 1.00 41.10 C ATOM 931 CG ASP A 509 -7.041 -2.739 1.841 1.00 55.31 C ATOM 932 OD1 ASP A 509 -6.653 -3.000 0.712 1.00 54.01 O ATOM 933 OD2 ASP A 509 -8.202 -3.027 2.244 1.00 34.14 O ATOM 0 H ASP A 509 -3.809 -1.762 4.550 1.00 42.54 H new ATOM 0 HA ASP A 509 -5.684 -3.899 3.707 1.00 32.33 H new ATOM 0 HB2 ASP A 509 -6.702 -1.509 3.550 1.00 41.10 H new ATOM 0 HB3 ASP A 509 -5.549 -1.272 2.252 1.00 41.10 H new ATOM 938 N ARG A 510 -4.114 -3.890 1.448 1.00 10.34 N ATOM 939 CA ARG A 510 -2.960 -4.286 0.662 1.00 71.24 C ATOM 940 C ARG A 510 -2.772 -3.453 -0.577 1.00 23.13 C ATOM 941 O ARG A 510 -3.714 -3.168 -1.285 1.00 42.21 O ATOM 942 CB ARG A 510 -2.939 -5.793 0.303 1.00 10.04 C ATOM 943 CG ARG A 510 -1.665 -6.153 -0.462 1.00 4.44 C ATOM 944 CD ARG A 510 -1.432 -7.622 -0.733 1.00 42.40 C ATOM 945 NE ARG A 510 -2.480 -8.276 -1.518 1.00 32.40 N ATOM 946 CZ ARG A 510 -2.363 -8.591 -2.820 1.00 62.24 C ATOM 947 NH1 ARG A 510 -1.337 -8.119 -3.535 1.00 2.34 N ATOM 948 NH2 ARG A 510 -3.270 -9.364 -3.402 1.00 21.35 N ATOM 0 H ARG A 510 -5.022 -4.106 1.037 1.00 10.34 H new ATOM 0 HA ARG A 510 -2.114 -4.098 1.323 1.00 71.24 H new ATOM 0 HB2 ARG A 510 -3.002 -6.389 1.213 1.00 10.04 H new ATOM 0 HB3 ARG A 510 -3.813 -6.040 -0.301 1.00 10.04 H new ATOM 0 HG2 ARG A 510 -1.681 -5.628 -1.417 1.00 4.44 H new ATOM 0 HG3 ARG A 510 -0.812 -5.770 0.098 1.00 4.44 H new ATOM 0 HD2 ARG A 510 -0.482 -7.734 -1.256 1.00 42.40 H new ATOM 0 HD3 ARG A 510 -1.334 -8.142 0.220 1.00 42.40 H new ATOM 0 HE ARG A 510 -3.355 -8.508 -1.047 1.00 32.40 H new ATOM 0 HH11 ARG A 510 -0.641 -7.519 -3.093 1.00 2.34 H new ATOM 0 HH12 ARG A 510 -1.250 -8.359 -4.522 1.00 2.34 H new ATOM 0 HH21 ARG A 510 -4.058 -9.721 -2.862 1.00 21.35 H new ATOM 0 HH22 ARG A 510 -3.179 -9.602 -4.390 1.00 21.35 H new ATOM 962 N LEU A 511 -1.537 -3.088 -0.822 1.00 60.24 N ATOM 963 CA LEU A 511 -1.150 -2.368 -2.003 1.00 44.30 C ATOM 964 C LEU A 511 -0.820 -3.332 -3.142 1.00 24.44 C ATOM 965 O LEU A 511 0.048 -4.203 -3.004 1.00 63.44 O ATOM 966 CB LEU A 511 0.061 -1.467 -1.729 1.00 70.02 C ATOM 967 CG LEU A 511 -0.170 -0.094 -1.115 1.00 3.24 C ATOM 968 CD1 LEU A 511 -1.032 0.759 -2.029 1.00 23.24 C ATOM 969 CD2 LEU A 511 -0.760 -0.192 0.255 1.00 41.21 C ATOM 0 H LEU A 511 -0.761 -3.289 -0.192 1.00 60.24 H new ATOM 0 HA LEU A 511 -1.994 -1.743 -2.296 1.00 44.30 H new ATOM 0 HB2 LEU A 511 0.736 -2.013 -1.071 1.00 70.02 H new ATOM 0 HB3 LEU A 511 0.585 -1.322 -2.674 1.00 70.02 H new ATOM 0 HG LEU A 511 0.800 0.392 -1.009 1.00 3.24 H new ATOM 0 HD11 LEU A 511 -1.187 1.737 -1.574 1.00 23.24 H new ATOM 0 HD12 LEU A 511 -0.533 0.881 -2.990 1.00 23.24 H new ATOM 0 HD13 LEU A 511 -1.995 0.272 -2.179 1.00 23.24 H new ATOM 0 HD21 LEU A 511 -0.910 0.809 0.659 1.00 41.21 H new ATOM 0 HD22 LEU A 511 -1.718 -0.709 0.202 1.00 41.21 H new ATOM 0 HD23 LEU A 511 -0.083 -0.748 0.904 1.00 41.21 H new ATOM 981 N ILE A 512 -1.530 -3.196 -4.237 1.00 55.31 N ATOM 982 CA ILE A 512 -1.288 -3.998 -5.444 1.00 15.15 C ATOM 983 C ILE A 512 -0.642 -3.140 -6.493 1.00 51.21 C ATOM 984 O ILE A 512 0.370 -3.524 -7.099 1.00 44.44 O ATOM 985 CB ILE A 512 -2.606 -4.642 -6.029 1.00 25.32 C ATOM 986 CG1 ILE A 512 -3.165 -5.752 -5.133 1.00 20.52 C ATOM 987 CG2 ILE A 512 -2.433 -5.146 -7.461 1.00 13.12 C ATOM 988 CD1 ILE A 512 -3.632 -5.297 -3.798 1.00 24.15 C ATOM 0 H ILE A 512 -2.296 -2.529 -4.330 1.00 55.31 H new ATOM 0 HA ILE A 512 -0.630 -4.819 -5.158 1.00 15.15 H new ATOM 0 HB ILE A 512 -3.336 -3.833 -6.052 1.00 25.32 H new ATOM 0 HG12 ILE A 512 -3.996 -6.233 -5.649 1.00 20.52 H new ATOM 0 HG13 ILE A 512 -2.395 -6.510 -4.994 1.00 20.52 H new ATOM 0 HG21 ILE A 512 -3.371 -5.578 -7.810 1.00 13.12 H new ATOM 0 HG22 ILE A 512 -2.153 -4.315 -8.108 1.00 13.12 H new ATOM 0 HG23 ILE A 512 -1.651 -5.905 -7.488 1.00 13.12 H new ATOM 0 HD11 ILE A 512 -4.010 -6.150 -3.235 1.00 24.15 H new ATOM 0 HD12 ILE A 512 -2.801 -4.844 -3.257 1.00 24.15 H new ATOM 0 HD13 ILE A 512 -4.428 -4.562 -3.922 1.00 24.15 H new ATOM 1000 N GLU A 513 -1.213 -1.995 -6.701 1.00 53.33 N ATOM 1001 CA GLU A 513 -0.710 -1.069 -7.650 1.00 44.11 C ATOM 1002 C GLU A 513 -0.887 0.314 -7.137 1.00 62.20 C ATOM 1003 O GLU A 513 -1.855 0.611 -6.434 1.00 21.53 O ATOM 1004 CB GLU A 513 -1.389 -1.333 -9.034 1.00 44.54 C ATOM 1005 CG GLU A 513 -1.225 -0.304 -10.161 1.00 31.20 C ATOM 1006 CD GLU A 513 -2.140 0.910 -10.048 1.00 32.44 C ATOM 1007 OE1 GLU A 513 -3.339 0.794 -10.393 1.00 14.23 O ATOM 1008 OE2 GLU A 513 -1.673 1.971 -9.659 1.00 54.10 O ATOM 0 H GLU A 513 -2.049 -1.680 -6.209 1.00 53.33 H new ATOM 0 HA GLU A 513 0.362 -1.198 -7.803 1.00 44.11 H new ATOM 0 HB2 GLU A 513 -1.015 -2.287 -9.405 1.00 44.54 H new ATOM 0 HB3 GLU A 513 -2.457 -1.456 -8.856 1.00 44.54 H new ATOM 0 HG2 GLU A 513 -0.190 0.037 -10.176 1.00 31.20 H new ATOM 0 HG3 GLU A 513 -1.412 -0.796 -11.115 1.00 31.20 H new ATOM 1015 N VAL A 514 0.074 1.120 -7.425 1.00 34.25 N ATOM 1016 CA VAL A 514 0.048 2.509 -7.108 1.00 41.21 C ATOM 1017 C VAL A 514 0.752 3.296 -8.209 1.00 70.21 C ATOM 1018 O VAL A 514 1.908 3.019 -8.547 1.00 34.05 O ATOM 1019 CB VAL A 514 0.594 2.842 -5.684 1.00 3.21 C ATOM 1020 CG1 VAL A 514 1.981 2.349 -5.511 1.00 61.52 C ATOM 1021 CG2 VAL A 514 0.521 4.323 -5.390 1.00 75.25 C ATOM 0 H VAL A 514 0.926 0.825 -7.902 1.00 34.25 H new ATOM 0 HA VAL A 514 -0.996 2.818 -7.068 1.00 41.21 H new ATOM 0 HB VAL A 514 -0.046 2.326 -4.969 1.00 3.21 H new ATOM 0 HG11 VAL A 514 2.333 2.596 -4.509 1.00 61.52 H new ATOM 0 HG12 VAL A 514 2.002 1.268 -5.646 1.00 61.52 H new ATOM 0 HG13 VAL A 514 2.629 2.820 -6.250 1.00 61.52 H new ATOM 0 HG21 VAL A 514 0.910 4.515 -4.390 1.00 75.25 H new ATOM 0 HG22 VAL A 514 1.116 4.869 -6.122 1.00 75.25 H new ATOM 0 HG23 VAL A 514 -0.516 4.654 -5.446 1.00 75.25 H new ATOM 1031 N ASN A 515 0.029 4.224 -8.793 1.00 1.10 N ATOM 1032 CA ASN A 515 0.508 5.069 -9.916 1.00 1.30 C ATOM 1033 C ASN A 515 0.747 4.260 -11.182 1.00 63.40 C ATOM 1034 O ASN A 515 1.463 4.705 -12.093 1.00 50.10 O ATOM 1035 CB ASN A 515 1.763 5.914 -9.558 1.00 34.00 C ATOM 1036 CG ASN A 515 1.452 7.042 -8.600 1.00 12.31 C ATOM 1037 OD1 ASN A 515 1.090 8.125 -9.008 1.00 4.53 O ATOM 1038 ND2 ASN A 515 1.625 6.828 -7.338 1.00 10.31 N ATOM 0 H ASN A 515 -0.929 4.434 -8.512 1.00 1.10 H new ATOM 0 HA ASN A 515 -0.302 5.772 -10.111 1.00 1.30 H new ATOM 0 HB2 ASN A 515 2.519 5.265 -9.116 1.00 34.00 H new ATOM 0 HB3 ASN A 515 2.191 6.326 -10.472 1.00 34.00 H new ATOM 0 HD21 ASN A 515 1.457 7.577 -6.666 1.00 10.31 H new ATOM 0 HD22 ASN A 515 1.930 5.910 -7.013 1.00 10.31 H new ATOM 1045 N GLY A 516 0.111 3.111 -11.270 1.00 13.00 N ATOM 1046 CA GLY A 516 0.248 2.270 -12.433 1.00 20.03 C ATOM 1047 C GLY A 516 1.480 1.403 -12.366 1.00 24.50 C ATOM 1048 O GLY A 516 2.028 0.998 -13.398 1.00 73.03 O ATOM 0 H GLY A 516 -0.506 2.740 -10.547 1.00 13.00 H new ATOM 0 HA2 GLY A 516 -0.635 1.638 -12.528 1.00 20.03 H new ATOM 0 HA3 GLY A 516 0.292 2.893 -13.327 1.00 20.03 H new ATOM 1052 N VAL A 517 1.928 1.117 -11.171 1.00 60.10 N ATOM 1053 CA VAL A 517 3.108 0.308 -10.979 1.00 64.34 C ATOM 1054 C VAL A 517 2.762 -0.916 -10.144 1.00 54.32 C ATOM 1055 O VAL A 517 2.013 -0.810 -9.172 1.00 41.12 O ATOM 1056 CB VAL A 517 4.268 1.124 -10.313 1.00 75.32 C ATOM 1057 CG1 VAL A 517 5.505 0.266 -10.156 1.00 74.43 C ATOM 1058 CG2 VAL A 517 4.600 2.347 -11.160 1.00 14.33 C ATOM 0 H VAL A 517 1.490 1.435 -10.307 1.00 60.10 H new ATOM 0 HA VAL A 517 3.463 -0.014 -11.958 1.00 64.34 H new ATOM 0 HB VAL A 517 3.936 1.445 -9.326 1.00 75.32 H new ATOM 0 HG11 VAL A 517 6.298 0.852 -9.692 1.00 74.43 H new ATOM 0 HG12 VAL A 517 5.274 -0.594 -9.527 1.00 74.43 H new ATOM 0 HG13 VAL A 517 5.835 -0.079 -11.136 1.00 74.43 H new ATOM 0 HG21 VAL A 517 5.407 2.908 -10.689 1.00 14.33 H new ATOM 0 HG22 VAL A 517 4.912 2.027 -12.154 1.00 14.33 H new ATOM 0 HG23 VAL A 517 3.718 2.982 -11.244 1.00 14.33 H new ATOM 1068 N ASP A 518 3.297 -2.068 -10.530 1.00 24.11 N ATOM 1069 CA ASP A 518 3.030 -3.316 -9.830 1.00 13.15 C ATOM 1070 C ASP A 518 3.977 -3.441 -8.675 1.00 72.04 C ATOM 1071 O ASP A 518 5.196 -3.311 -8.837 1.00 34.40 O ATOM 1072 CB ASP A 518 3.149 -4.519 -10.754 1.00 74.24 C ATOM 1073 CG ASP A 518 2.949 -5.822 -10.022 1.00 74.14 C ATOM 1074 OD1 ASP A 518 1.797 -6.216 -9.777 1.00 32.32 O ATOM 1075 OD2 ASP A 518 3.943 -6.476 -9.686 1.00 30.12 O ATOM 0 H ASP A 518 3.923 -2.162 -11.330 1.00 24.11 H new ATOM 0 HA ASP A 518 2.003 -3.297 -9.465 1.00 13.15 H new ATOM 0 HB2 ASP A 518 2.412 -4.436 -11.552 1.00 74.24 H new ATOM 0 HB3 ASP A 518 4.132 -4.517 -11.226 1.00 74.24 H new ATOM 1080 N LEU A 519 3.436 -3.691 -7.531 1.00 13.11 N ATOM 1081 CA LEU A 519 4.201 -3.633 -6.313 1.00 33.45 C ATOM 1082 C LEU A 519 4.703 -4.968 -5.874 1.00 13.10 C ATOM 1083 O LEU A 519 5.851 -5.096 -5.477 1.00 24.00 O ATOM 1084 CB LEU A 519 3.326 -3.083 -5.234 1.00 34.32 C ATOM 1085 CG LEU A 519 2.555 -1.853 -5.618 1.00 74.14 C ATOM 1086 CD1 LEU A 519 1.755 -1.402 -4.459 1.00 42.45 C ATOM 1087 CD2 LEU A 519 3.471 -0.771 -6.121 1.00 54.23 C ATOM 0 H LEU A 519 2.455 -3.941 -7.404 1.00 13.11 H new ATOM 0 HA LEU A 519 5.070 -3.002 -6.502 1.00 33.45 H new ATOM 0 HB2 LEU A 519 2.621 -3.856 -4.927 1.00 34.32 H new ATOM 0 HB3 LEU A 519 3.944 -2.852 -4.366 1.00 34.32 H new ATOM 0 HG LEU A 519 1.878 -2.092 -6.439 1.00 74.14 H new ATOM 0 HD11 LEU A 519 1.192 -0.509 -4.731 1.00 42.45 H new ATOM 0 HD12 LEU A 519 1.063 -2.191 -4.165 1.00 42.45 H new ATOM 0 HD13 LEU A 519 2.419 -1.173 -3.626 1.00 42.45 H new ATOM 0 HD21 LEU A 519 2.884 0.107 -6.391 1.00 54.23 H new ATOM 0 HD22 LEU A 519 4.183 -0.505 -5.340 1.00 54.23 H new ATOM 0 HD23 LEU A 519 4.011 -1.130 -6.997 1.00 54.23 H new ATOM 1099 N VAL A 520 3.849 -5.959 -5.940 1.00 21.52 N ATOM 1100 CA VAL A 520 4.195 -7.262 -5.432 1.00 73.13 C ATOM 1101 C VAL A 520 5.202 -7.939 -6.348 1.00 44.23 C ATOM 1102 O VAL A 520 4.848 -8.572 -7.349 1.00 34.41 O ATOM 1103 CB VAL A 520 2.940 -8.137 -5.183 1.00 74.05 C ATOM 1104 CG1 VAL A 520 3.318 -9.495 -4.601 1.00 0.22 C ATOM 1105 CG2 VAL A 520 1.977 -7.404 -4.250 1.00 70.33 C ATOM 0 H VAL A 520 2.913 -5.889 -6.339 1.00 21.52 H new ATOM 0 HA VAL A 520 4.669 -7.133 -4.459 1.00 73.13 H new ATOM 0 HB VAL A 520 2.448 -8.314 -6.140 1.00 74.05 H new ATOM 0 HG11 VAL A 520 2.416 -10.085 -4.438 1.00 0.22 H new ATOM 0 HG12 VAL A 520 3.973 -10.019 -5.296 1.00 0.22 H new ATOM 0 HG13 VAL A 520 3.835 -9.353 -3.652 1.00 0.22 H new ATOM 0 HG21 VAL A 520 1.096 -8.022 -4.077 1.00 70.33 H new ATOM 0 HG22 VAL A 520 2.472 -7.205 -3.300 1.00 70.33 H new ATOM 0 HG23 VAL A 520 1.675 -6.461 -4.706 1.00 70.33 H new ATOM 1115 N GLY A 521 6.451 -7.750 -6.014 1.00 63.23 N ATOM 1116 CA GLY A 521 7.542 -8.231 -6.802 1.00 54.30 C ATOM 1117 C GLY A 521 8.727 -7.309 -6.655 1.00 12.40 C ATOM 1118 O GLY A 521 9.869 -7.713 -6.830 1.00 41.12 O ATOM 0 H GLY A 521 6.738 -7.249 -5.173 1.00 63.23 H new ATOM 0 HA2 GLY A 521 7.813 -9.239 -6.487 1.00 54.30 H new ATOM 0 HA3 GLY A 521 7.246 -8.293 -7.849 1.00 54.30 H new ATOM 1122 N LYS A 522 8.446 -6.058 -6.335 1.00 61.41 N ATOM 1123 CA LYS A 522 9.479 -5.074 -6.099 1.00 63.14 C ATOM 1124 C LYS A 522 9.586 -4.755 -4.623 1.00 14.41 C ATOM 1125 O LYS A 522 8.846 -5.313 -3.811 1.00 54.35 O ATOM 1126 CB LYS A 522 9.274 -3.807 -6.943 1.00 41.44 C ATOM 1127 CG LYS A 522 7.931 -3.106 -6.795 1.00 62.42 C ATOM 1128 CD LYS A 522 7.880 -1.738 -7.504 1.00 15.44 C ATOM 1129 CE LYS A 522 8.111 -1.802 -9.031 1.00 4.21 C ATOM 1130 NZ LYS A 522 9.517 -2.109 -9.423 1.00 44.11 N ATOM 0 H LYS A 522 7.497 -5.700 -6.232 1.00 61.41 H new ATOM 0 HA LYS A 522 10.427 -5.507 -6.419 1.00 63.14 H new ATOM 0 HB2 LYS A 522 10.060 -3.096 -6.689 1.00 41.44 H new ATOM 0 HB3 LYS A 522 9.409 -4.070 -7.992 1.00 41.44 H new ATOM 0 HG2 LYS A 522 7.147 -3.747 -7.199 1.00 62.42 H new ATOM 0 HG3 LYS A 522 7.715 -2.967 -5.736 1.00 62.42 H new ATOM 0 HD2 LYS A 522 6.909 -1.280 -7.314 1.00 15.44 H new ATOM 0 HD3 LYS A 522 8.632 -1.085 -7.062 1.00 15.44 H new ATOM 0 HE2 LYS A 522 7.453 -2.560 -9.455 1.00 4.21 H new ATOM 0 HE3 LYS A 522 7.823 -0.847 -9.471 1.00 4.21 H new ATOM 0 HZ1 LYS A 522 9.800 -1.493 -10.212 1.00 44.11 H new ATOM 0 HZ2 LYS A 522 10.147 -1.944 -8.612 1.00 44.11 H new ATOM 0 HZ3 LYS A 522 9.586 -3.104 -9.718 1.00 44.11 H new ATOM 1144 N SER A 523 10.503 -3.886 -4.273 1.00 61.43 N ATOM 1145 CA SER A 523 10.729 -3.557 -2.894 1.00 24.12 C ATOM 1146 C SER A 523 9.939 -2.316 -2.470 1.00 14.22 C ATOM 1147 O SER A 523 9.565 -1.477 -3.307 1.00 24.04 O ATOM 1148 CB SER A 523 12.218 -3.363 -2.649 1.00 44.01 C ATOM 1149 OG SER A 523 12.944 -4.546 -2.957 1.00 55.23 O ATOM 0 H SER A 523 11.106 -3.393 -4.932 1.00 61.43 H new ATOM 0 HA SER A 523 10.372 -4.386 -2.283 1.00 24.12 H new ATOM 0 HB2 SER A 523 12.586 -2.537 -3.258 1.00 44.01 H new ATOM 0 HB3 SER A 523 12.386 -3.090 -1.607 1.00 44.01 H new ATOM 0 HG SER A 523 13.899 -4.396 -2.793 1.00 55.23 H new ATOM 1155 N GLN A 524 9.719 -2.206 -1.164 1.00 44.20 N ATOM 1156 CA GLN A 524 8.965 -1.122 -0.543 1.00 70.41 C ATOM 1157 C GLN A 524 9.483 0.247 -0.956 1.00 10.14 C ATOM 1158 O GLN A 524 8.710 1.127 -1.319 1.00 72.45 O ATOM 1159 CB GLN A 524 9.069 -1.239 0.968 1.00 73.21 C ATOM 1160 CG GLN A 524 8.292 -0.180 1.718 1.00 15.13 C ATOM 1161 CD GLN A 524 8.486 -0.262 3.201 1.00 53.10 C ATOM 1162 OE1 GLN A 524 9.384 0.363 3.758 1.00 4.30 O ATOM 1163 NE2 GLN A 524 7.667 -1.024 3.847 1.00 55.11 N ATOM 0 H GLN A 524 10.070 -2.887 -0.490 1.00 44.20 H new ATOM 0 HA GLN A 524 7.931 -1.212 -0.875 1.00 70.41 H new ATOM 0 HB2 GLN A 524 8.711 -2.223 1.272 1.00 73.21 H new ATOM 0 HB3 GLN A 524 10.118 -1.179 1.256 1.00 73.21 H new ATOM 0 HG2 GLN A 524 8.600 0.806 1.369 1.00 15.13 H new ATOM 0 HG3 GLN A 524 7.231 -0.282 1.488 1.00 15.13 H new ATOM 0 HE21 GLN A 524 6.934 -1.526 3.346 1.00 55.11 H new ATOM 0 HE22 GLN A 524 7.753 -1.124 4.858 1.00 55.11 H new ATOM 1172 N GLU A 525 10.788 0.414 -0.899 1.00 1.04 N ATOM 1173 CA GLU A 525 11.415 1.694 -1.201 1.00 33.53 C ATOM 1174 C GLU A 525 11.143 2.157 -2.631 1.00 32.35 C ATOM 1175 O GLU A 525 10.986 3.348 -2.880 1.00 32.30 O ATOM 1176 CB GLU A 525 12.889 1.654 -0.907 1.00 24.11 C ATOM 1177 CG GLU A 525 13.202 1.390 0.547 1.00 15.13 C ATOM 1178 CD GLU A 525 14.670 1.321 0.801 1.00 23.45 C ATOM 1179 OE1 GLU A 525 15.300 2.374 0.981 1.00 20.22 O ATOM 1180 OE2 GLU A 525 15.226 0.205 0.828 1.00 35.35 O ATOM 0 H GLU A 525 11.444 -0.325 -0.645 1.00 1.04 H new ATOM 0 HA GLU A 525 10.958 2.435 -0.545 1.00 33.53 H new ATOM 0 HB2 GLU A 525 13.353 0.880 -1.518 1.00 24.11 H new ATOM 0 HB3 GLU A 525 13.337 2.603 -1.201 1.00 24.11 H new ATOM 0 HG2 GLU A 525 12.765 2.178 1.160 1.00 15.13 H new ATOM 0 HG3 GLU A 525 12.737 0.453 0.853 1.00 15.13 H new ATOM 1187 N GLU A 526 11.058 1.210 -3.554 1.00 63.41 N ATOM 1188 CA GLU A 526 10.719 1.505 -4.943 1.00 43.04 C ATOM 1189 C GLU A 526 9.343 2.131 -5.006 1.00 25.33 C ATOM 1190 O GLU A 526 9.116 3.123 -5.710 1.00 23.33 O ATOM 1191 CB GLU A 526 10.736 0.218 -5.763 1.00 42.10 C ATOM 1192 CG GLU A 526 12.102 -0.401 -5.913 1.00 10.23 C ATOM 1193 CD GLU A 526 12.055 -1.688 -6.684 1.00 73.32 C ATOM 1194 OE1 GLU A 526 11.799 -1.658 -7.914 1.00 22.15 O ATOM 1195 OE2 GLU A 526 12.294 -2.755 -6.081 1.00 43.03 O ATOM 0 H GLU A 526 11.220 0.221 -3.365 1.00 63.41 H new ATOM 0 HA GLU A 526 11.452 2.200 -5.353 1.00 43.04 H new ATOM 0 HB2 GLU A 526 10.070 -0.507 -5.294 1.00 42.10 H new ATOM 0 HB3 GLU A 526 10.333 0.427 -6.754 1.00 42.10 H new ATOM 0 HG2 GLU A 526 12.764 0.301 -6.420 1.00 10.23 H new ATOM 0 HG3 GLU A 526 12.527 -0.585 -4.926 1.00 10.23 H new ATOM 1202 N VAL A 527 8.450 1.572 -4.225 1.00 74.52 N ATOM 1203 CA VAL A 527 7.082 2.013 -4.169 1.00 53.22 C ATOM 1204 C VAL A 527 6.989 3.374 -3.476 1.00 75.22 C ATOM 1205 O VAL A 527 6.246 4.251 -3.914 1.00 75.42 O ATOM 1206 CB VAL A 527 6.196 0.985 -3.424 1.00 2.50 C ATOM 1207 CG1 VAL A 527 4.734 1.396 -3.441 1.00 2.32 C ATOM 1208 CG2 VAL A 527 6.385 -0.413 -3.996 1.00 51.22 C ATOM 0 H VAL A 527 8.658 0.790 -3.605 1.00 74.52 H new ATOM 0 HA VAL A 527 6.718 2.106 -5.192 1.00 53.22 H new ATOM 0 HB VAL A 527 6.515 0.965 -2.382 1.00 2.50 H new ATOM 0 HG11 VAL A 527 4.141 0.652 -2.909 1.00 2.32 H new ATOM 0 HG12 VAL A 527 4.623 2.365 -2.954 1.00 2.32 H new ATOM 0 HG13 VAL A 527 4.388 1.467 -4.472 1.00 2.32 H new ATOM 0 HG21 VAL A 527 5.752 -1.116 -3.455 1.00 51.22 H new ATOM 0 HG22 VAL A 527 6.111 -0.415 -5.051 1.00 51.22 H new ATOM 0 HG23 VAL A 527 7.428 -0.711 -3.892 1.00 51.22 H new ATOM 1218 N VAL A 528 7.759 3.569 -2.412 1.00 13.42 N ATOM 1219 CA VAL A 528 7.685 4.848 -1.707 1.00 63.30 C ATOM 1220 C VAL A 528 8.254 5.959 -2.568 1.00 51.11 C ATOM 1221 O VAL A 528 7.721 7.048 -2.615 1.00 12.03 O ATOM 1222 CB VAL A 528 8.346 4.872 -0.288 1.00 32.44 C ATOM 1223 CG1 VAL A 528 7.842 3.768 0.613 1.00 42.12 C ATOM 1224 CG2 VAL A 528 9.866 4.936 -0.313 1.00 54.03 C ATOM 0 H VAL A 528 8.417 2.891 -2.028 1.00 13.42 H new ATOM 0 HA VAL A 528 6.622 5.007 -1.527 1.00 63.30 H new ATOM 0 HB VAL A 528 8.020 5.815 0.150 1.00 32.44 H new ATOM 0 HG11 VAL A 528 8.336 3.836 1.582 1.00 42.12 H new ATOM 0 HG12 VAL A 528 6.765 3.870 0.746 1.00 42.12 H new ATOM 0 HG13 VAL A 528 8.061 2.801 0.161 1.00 42.12 H new ATOM 0 HG21 VAL A 528 10.246 4.949 0.708 1.00 54.03 H new ATOM 0 HG22 VAL A 528 10.258 4.063 -0.835 1.00 54.03 H new ATOM 0 HG23 VAL A 528 10.184 5.841 -0.830 1.00 54.03 H new ATOM 1234 N SER A 529 9.315 5.652 -3.268 1.00 53.11 N ATOM 1235 CA SER A 529 9.964 6.588 -4.153 1.00 74.25 C ATOM 1236 C SER A 529 9.005 7.021 -5.280 1.00 21.04 C ATOM 1237 O SER A 529 8.901 8.219 -5.594 1.00 52.20 O ATOM 1238 CB SER A 529 11.252 5.970 -4.717 1.00 32.11 C ATOM 1239 OG SER A 529 11.996 6.899 -5.490 1.00 53.22 O ATOM 0 H SER A 529 9.759 4.734 -3.240 1.00 53.11 H new ATOM 0 HA SER A 529 10.235 7.482 -3.591 1.00 74.25 H new ATOM 0 HB2 SER A 529 11.869 5.606 -3.895 1.00 32.11 H new ATOM 0 HB3 SER A 529 11.000 5.107 -5.333 1.00 32.11 H new ATOM 0 HG SER A 529 12.808 6.467 -5.829 1.00 53.22 H new ATOM 1245 N LEU A 530 8.268 6.057 -5.854 1.00 3.43 N ATOM 1246 CA LEU A 530 7.323 6.373 -6.918 1.00 20.02 C ATOM 1247 C LEU A 530 6.175 7.216 -6.354 1.00 10.44 C ATOM 1248 O LEU A 530 5.624 8.093 -7.038 1.00 22.22 O ATOM 1249 CB LEU A 530 6.851 5.075 -7.671 1.00 52.14 C ATOM 1250 CG LEU A 530 5.981 4.045 -6.930 1.00 65.34 C ATOM 1251 CD1 LEU A 530 4.551 4.516 -6.761 1.00 75.43 C ATOM 1252 CD2 LEU A 530 6.024 2.708 -7.627 1.00 21.24 C ATOM 0 H LEU A 530 8.312 5.070 -5.599 1.00 3.43 H new ATOM 0 HA LEU A 530 7.816 6.977 -7.679 1.00 20.02 H new ATOM 0 HB2 LEU A 530 6.299 5.393 -8.556 1.00 52.14 H new ATOM 0 HB3 LEU A 530 7.744 4.557 -8.021 1.00 52.14 H new ATOM 0 HG LEU A 530 6.401 3.932 -5.931 1.00 65.34 H new ATOM 0 HD11 LEU A 530 3.977 3.755 -6.233 1.00 75.43 H new ATOM 0 HD12 LEU A 530 4.539 5.443 -6.188 1.00 75.43 H new ATOM 0 HD13 LEU A 530 4.107 4.690 -7.741 1.00 75.43 H new ATOM 0 HD21 LEU A 530 5.402 1.995 -7.086 1.00 21.24 H new ATOM 0 HD22 LEU A 530 5.650 2.816 -8.645 1.00 21.24 H new ATOM 0 HD23 LEU A 530 7.051 2.345 -7.655 1.00 21.24 H new ATOM 1264 N LEU A 531 5.854 6.952 -5.088 1.00 21.41 N ATOM 1265 CA LEU A 531 4.867 7.682 -4.335 1.00 23.30 C ATOM 1266 C LEU A 531 5.297 9.117 -4.122 1.00 50.42 C ATOM 1267 O LEU A 531 4.535 10.048 -4.375 1.00 52.40 O ATOM 1268 CB LEU A 531 4.594 6.932 -2.992 1.00 52.50 C ATOM 1269 CG LEU A 531 3.843 7.673 -1.871 1.00 53.05 C ATOM 1270 CD1 LEU A 531 3.158 6.672 -0.968 1.00 53.34 C ATOM 1271 CD2 LEU A 531 4.817 8.466 -1.004 1.00 71.15 C ATOM 0 H LEU A 531 6.292 6.201 -4.554 1.00 21.41 H new ATOM 0 HA LEU A 531 3.934 7.727 -4.896 1.00 23.30 H new ATOM 0 HB2 LEU A 531 4.030 6.029 -3.226 1.00 52.50 H new ATOM 0 HB3 LEU A 531 5.556 6.612 -2.590 1.00 52.50 H new ATOM 0 HG LEU A 531 3.121 8.342 -2.340 1.00 53.05 H new ATOM 0 HD11 LEU A 531 2.627 7.200 -0.176 1.00 53.34 H new ATOM 0 HD12 LEU A 531 2.449 6.083 -1.550 1.00 53.34 H new ATOM 0 HD13 LEU A 531 3.903 6.010 -0.527 1.00 53.34 H new ATOM 0 HD21 LEU A 531 4.267 8.983 -0.218 1.00 71.15 H new ATOM 0 HD22 LEU A 531 5.540 7.786 -0.554 1.00 71.15 H new ATOM 0 HD23 LEU A 531 5.341 9.197 -1.620 1.00 71.15 H new ATOM 1283 N ARG A 532 6.526 9.290 -3.695 1.00 34.13 N ATOM 1284 CA ARG A 532 7.062 10.602 -3.398 1.00 15.41 C ATOM 1285 C ARG A 532 7.102 11.462 -4.663 1.00 14.53 C ATOM 1286 O ARG A 532 6.849 12.654 -4.613 1.00 3.13 O ATOM 1287 CB ARG A 532 8.465 10.484 -2.776 1.00 12.45 C ATOM 1288 CG ARG A 532 8.539 9.682 -1.466 1.00 42.04 C ATOM 1289 CD ARG A 532 8.153 10.463 -0.200 1.00 52.05 C ATOM 1290 NE ARG A 532 6.822 11.116 -0.232 1.00 3.05 N ATOM 1291 CZ ARG A 532 6.198 11.625 0.850 1.00 40.23 C ATOM 1292 NH1 ARG A 532 6.693 11.413 2.070 1.00 0.41 N ATOM 1293 NH2 ARG A 532 5.068 12.317 0.709 1.00 55.32 N ATOM 0 H ARG A 532 7.185 8.526 -3.543 1.00 34.13 H new ATOM 0 HA ARG A 532 6.407 11.087 -2.674 1.00 15.41 H new ATOM 0 HB2 ARG A 532 9.129 10.020 -3.505 1.00 12.45 H new ATOM 0 HB3 ARG A 532 8.847 11.488 -2.590 1.00 12.45 H new ATOM 0 HG2 ARG A 532 7.885 8.814 -1.552 1.00 42.04 H new ATOM 0 HG3 ARG A 532 9.555 9.305 -1.346 1.00 42.04 H new ATOM 0 HD2 ARG A 532 8.183 9.781 0.650 1.00 52.05 H new ATOM 0 HD3 ARG A 532 8.909 11.228 -0.022 1.00 52.05 H new ATOM 0 HE ARG A 532 6.347 11.185 -1.132 1.00 3.05 H new ATOM 0 HH11 ARG A 532 7.545 10.865 2.186 1.00 0.41 H new ATOM 0 HH12 ARG A 532 6.219 11.799 2.887 1.00 0.41 H new ATOM 0 HH21 ARG A 532 4.672 12.463 -0.220 1.00 55.32 H new ATOM 0 HH22 ARG A 532 4.599 12.700 1.530 1.00 55.32 H new ATOM 1307 N SER A 533 7.411 10.841 -5.789 1.00 53.52 N ATOM 1308 CA SER A 533 7.434 11.543 -7.052 1.00 72.32 C ATOM 1309 C SER A 533 6.001 11.840 -7.530 1.00 73.31 C ATOM 1310 O SER A 533 5.716 12.937 -8.027 1.00 0.43 O ATOM 1311 CB SER A 533 8.194 10.721 -8.088 1.00 43.21 C ATOM 1312 OG SER A 533 9.515 10.428 -7.627 1.00 12.13 O ATOM 0 H SER A 533 7.649 9.851 -5.850 1.00 53.52 H new ATOM 0 HA SER A 533 7.947 12.495 -6.919 1.00 72.32 H new ATOM 0 HB2 SER A 533 7.658 9.793 -8.288 1.00 43.21 H new ATOM 0 HB3 SER A 533 8.244 11.269 -9.029 1.00 43.21 H new ATOM 0 HG SER A 533 9.474 9.731 -6.940 1.00 12.13 H new ATOM 1318 N THR A 534 5.109 10.849 -7.349 1.00 61.32 N ATOM 1319 CA THR A 534 3.693 10.937 -7.727 1.00 54.43 C ATOM 1320 C THR A 534 3.523 10.965 -9.269 1.00 0.32 C ATOM 1321 O THR A 534 4.475 11.230 -10.019 1.00 14.33 O ATOM 1322 CB THR A 534 3.013 12.195 -7.082 1.00 43.42 C ATOM 1323 OG1 THR A 534 3.282 12.227 -5.672 1.00 30.34 O ATOM 1324 CG2 THR A 534 1.492 12.178 -7.286 1.00 14.33 C ATOM 0 H THR A 534 5.359 9.953 -6.930 1.00 61.32 H new ATOM 0 HA THR A 534 3.198 10.044 -7.345 1.00 54.43 H new ATOM 0 HB THR A 534 3.426 13.077 -7.571 1.00 43.42 H new ATOM 0 HG1 THR A 534 3.672 11.372 -5.394 1.00 30.34 H new ATOM 0 HG21 THR A 534 1.053 13.064 -6.827 1.00 14.33 H new ATOM 0 HG22 THR A 534 1.268 12.174 -8.353 1.00 14.33 H new ATOM 0 HG23 THR A 534 1.073 11.284 -6.824 1.00 14.33 H new ATOM 1332 N LYS A 535 2.349 10.604 -9.726 1.00 41.20 N ATOM 1333 CA LYS A 535 1.987 10.728 -11.104 1.00 10.02 C ATOM 1334 C LYS A 535 1.900 12.216 -11.411 1.00 14.40 C ATOM 1335 O LYS A 535 1.194 12.945 -10.712 1.00 70.33 O ATOM 1336 CB LYS A 535 0.607 10.100 -11.309 1.00 62.45 C ATOM 1337 CG LYS A 535 0.112 10.058 -12.746 1.00 64.32 C ATOM 1338 CD LYS A 535 0.929 9.110 -13.622 1.00 60.34 C ATOM 1339 CE LYS A 535 0.866 7.682 -13.102 1.00 43.42 C ATOM 1340 NZ LYS A 535 1.576 6.729 -13.971 1.00 12.40 N ATOM 0 H LYS A 535 1.613 10.212 -9.138 1.00 41.20 H new ATOM 0 HA LYS A 535 2.713 10.234 -11.750 1.00 10.02 H new ATOM 0 HB2 LYS A 535 0.630 9.081 -10.921 1.00 62.45 H new ATOM 0 HB3 LYS A 535 -0.117 10.653 -10.710 1.00 62.45 H new ATOM 0 HG2 LYS A 535 -0.933 9.747 -12.757 1.00 64.32 H new ATOM 0 HG3 LYS A 535 0.151 11.062 -13.169 1.00 64.32 H new ATOM 0 HD2 LYS A 535 0.554 9.143 -14.645 1.00 60.34 H new ATOM 0 HD3 LYS A 535 1.967 9.443 -13.652 1.00 60.34 H new ATOM 0 HE2 LYS A 535 1.296 7.645 -12.101 1.00 43.42 H new ATOM 0 HE3 LYS A 535 -0.177 7.378 -13.012 1.00 43.42 H new ATOM 0 HZ1 LYS A 535 1.663 5.814 -13.484 1.00 12.40 H new ATOM 0 HZ2 LYS A 535 1.043 6.602 -14.855 1.00 12.40 H new ATOM 0 HZ3 LYS A 535 2.524 7.097 -14.188 1.00 12.40 H new ATOM 1354 N MET A 536 2.594 12.663 -12.443 1.00 12.33 N ATOM 1355 CA MET A 536 2.612 14.090 -12.828 1.00 2.35 C ATOM 1356 C MET A 536 1.205 14.591 -13.203 1.00 41.43 C ATOM 1357 O MET A 536 0.941 15.789 -13.228 1.00 11.00 O ATOM 1358 CB MET A 536 3.584 14.313 -13.989 1.00 25.53 C ATOM 1359 CG MET A 536 3.193 13.587 -15.267 1.00 34.11 C ATOM 1360 SD MET A 536 4.369 13.815 -16.609 1.00 22.12 S ATOM 1361 CE MET A 536 5.806 12.994 -15.927 1.00 73.04 C ATOM 0 H MET A 536 3.161 12.064 -13.043 1.00 12.33 H new ATOM 0 HA MET A 536 2.950 14.665 -11.966 1.00 2.35 H new ATOM 0 HB2 MET A 536 3.650 15.381 -14.195 1.00 25.53 H new ATOM 0 HB3 MET A 536 4.578 13.985 -13.686 1.00 25.53 H new ATOM 0 HG2 MET A 536 3.097 12.522 -15.056 1.00 34.11 H new ATOM 0 HG3 MET A 536 2.213 13.938 -15.590 1.00 34.11 H new ATOM 0 HE1 MET A 536 6.491 12.731 -16.733 1.00 73.04 H new ATOM 0 HE2 MET A 536 6.308 13.662 -15.227 1.00 73.04 H new ATOM 0 HE3 MET A 536 5.495 12.089 -15.405 1.00 73.04 H new ATOM 1371 N GLU A 537 0.321 13.649 -13.484 1.00 62.44 N ATOM 1372 CA GLU A 537 -1.067 13.914 -13.810 1.00 32.33 C ATOM 1373 C GLU A 537 -1.824 14.425 -12.566 1.00 1.42 C ATOM 1374 O GLU A 537 -2.843 15.116 -12.675 1.00 35.25 O ATOM 1375 CB GLU A 537 -1.691 12.618 -14.332 1.00 41.23 C ATOM 1376 CG GLU A 537 -3.138 12.702 -14.746 1.00 15.23 C ATOM 1377 CD GLU A 537 -3.639 11.380 -15.260 1.00 51.44 C ATOM 1378 OE1 GLU A 537 -3.474 11.109 -16.468 1.00 51.04 O ATOM 1379 OE2 GLU A 537 -4.199 10.587 -14.462 1.00 43.15 O ATOM 0 H GLU A 537 0.555 12.656 -13.492 1.00 62.44 H new ATOM 0 HA GLU A 537 -1.132 14.688 -14.574 1.00 32.33 H new ATOM 0 HB2 GLU A 537 -1.108 12.276 -15.187 1.00 41.23 H new ATOM 0 HB3 GLU A 537 -1.599 11.856 -13.558 1.00 41.23 H new ATOM 0 HG2 GLU A 537 -3.744 13.017 -13.896 1.00 15.23 H new ATOM 0 HG3 GLU A 537 -3.254 13.462 -15.519 1.00 15.23 H new ATOM 1386 N GLY A 538 -1.315 14.082 -11.395 1.00 42.24 N ATOM 1387 CA GLY A 538 -1.918 14.519 -10.159 1.00 54.43 C ATOM 1388 C GLY A 538 -2.716 13.434 -9.487 1.00 52.03 C ATOM 1389 O GLY A 538 -2.848 13.413 -8.259 1.00 2.15 O ATOM 0 H GLY A 538 -0.484 13.501 -11.280 1.00 42.24 H new ATOM 0 HA2 GLY A 538 -1.138 14.864 -9.481 1.00 54.43 H new ATOM 0 HA3 GLY A 538 -2.567 15.372 -10.358 1.00 54.43 H new ATOM 1393 N THR A 539 -3.241 12.551 -10.278 1.00 54.53 N ATOM 1394 CA THR A 539 -4.001 11.441 -9.810 1.00 31.24 C ATOM 1395 C THR A 539 -3.159 10.191 -9.652 1.00 11.13 C ATOM 1396 O THR A 539 -2.504 9.744 -10.589 1.00 13.12 O ATOM 1397 CB THR A 539 -5.192 11.200 -10.737 1.00 52.23 C ATOM 1398 OG1 THR A 539 -4.906 11.717 -12.061 1.00 25.34 O ATOM 1399 CG2 THR A 539 -6.433 11.850 -10.170 1.00 45.25 C ATOM 0 H THR A 539 -3.149 12.586 -11.293 1.00 54.53 H new ATOM 0 HA THR A 539 -4.372 11.685 -8.815 1.00 31.24 H new ATOM 0 HB THR A 539 -5.369 10.127 -10.815 1.00 52.23 H new ATOM 0 HG1 THR A 539 -4.701 10.973 -12.665 1.00 25.34 H new ATOM 0 HG21 THR A 539 -7.275 11.672 -10.839 1.00 45.25 H new ATOM 0 HG22 THR A 539 -6.651 11.425 -9.190 1.00 45.25 H new ATOM 0 HG23 THR A 539 -6.269 12.923 -10.071 1.00 45.25 H new ATOM 1407 N VAL A 540 -3.181 9.646 -8.457 1.00 63.23 N ATOM 1408 CA VAL A 540 -2.480 8.461 -8.116 1.00 63.41 C ATOM 1409 C VAL A 540 -3.468 7.325 -8.036 1.00 3.32 C ATOM 1410 O VAL A 540 -4.501 7.449 -7.390 1.00 74.13 O ATOM 1411 CB VAL A 540 -1.833 8.655 -6.725 1.00 54.14 C ATOM 1412 CG1 VAL A 540 -1.190 7.389 -6.214 1.00 32.31 C ATOM 1413 CG2 VAL A 540 -0.824 9.770 -6.784 1.00 33.43 C ATOM 0 H VAL A 540 -3.710 10.041 -7.679 1.00 63.23 H new ATOM 0 HA VAL A 540 -1.715 8.244 -8.861 1.00 63.41 H new ATOM 0 HB VAL A 540 -2.625 8.916 -6.024 1.00 54.14 H new ATOM 0 HG11 VAL A 540 -0.749 7.575 -5.235 1.00 32.31 H new ATOM 0 HG12 VAL A 540 -1.944 6.606 -6.130 1.00 32.31 H new ATOM 0 HG13 VAL A 540 -0.412 7.071 -6.908 1.00 32.31 H new ATOM 0 HG21 VAL A 540 -0.371 9.903 -5.802 1.00 33.43 H new ATOM 0 HG22 VAL A 540 -0.050 9.522 -7.510 1.00 33.43 H new ATOM 0 HG23 VAL A 540 -1.320 10.694 -7.083 1.00 33.43 H new ATOM 1423 N SER A 541 -3.164 6.252 -8.698 1.00 20.51 N ATOM 1424 CA SER A 541 -4.001 5.093 -8.696 1.00 20.54 C ATOM 1425 C SER A 541 -3.563 4.189 -7.574 1.00 12.34 C ATOM 1426 O SER A 541 -2.383 4.024 -7.334 1.00 45.50 O ATOM 1427 CB SER A 541 -3.886 4.361 -10.055 1.00 31.15 C ATOM 1428 OG SER A 541 -4.708 3.194 -10.107 1.00 10.12 O ATOM 0 H SER A 541 -2.319 6.155 -9.261 1.00 20.51 H new ATOM 0 HA SER A 541 -5.042 5.380 -8.549 1.00 20.54 H new ATOM 0 HB2 SER A 541 -4.171 5.041 -10.858 1.00 31.15 H new ATOM 0 HB3 SER A 541 -2.847 4.080 -10.229 1.00 31.15 H new ATOM 0 HG SER A 541 -4.144 2.402 -10.226 1.00 10.12 H new ATOM 1434 N LEU A 542 -4.523 3.714 -6.843 1.00 2.14 N ATOM 1435 CA LEU A 542 -4.330 2.765 -5.793 1.00 1.33 C ATOM 1436 C LEU A 542 -5.180 1.569 -6.090 1.00 2.33 C ATOM 1437 O LEU A 542 -6.405 1.682 -6.179 1.00 1.43 O ATOM 1438 CB LEU A 542 -4.793 3.335 -4.419 1.00 50.34 C ATOM 1439 CG LEU A 542 -3.967 4.453 -3.771 1.00 72.04 C ATOM 1440 CD1 LEU A 542 -2.556 4.004 -3.564 1.00 71.32 C ATOM 1441 CD2 LEU A 542 -4.012 5.736 -4.566 1.00 73.23 C ATOM 0 H LEU A 542 -5.498 3.987 -6.966 1.00 2.14 H new ATOM 0 HA LEU A 542 -3.269 2.520 -5.738 1.00 1.33 H new ATOM 0 HB2 LEU A 542 -5.811 3.704 -4.540 1.00 50.34 H new ATOM 0 HB3 LEU A 542 -4.836 2.505 -3.714 1.00 50.34 H new ATOM 0 HG LEU A 542 -4.416 4.668 -2.801 1.00 72.04 H new ATOM 0 HD11 LEU A 542 -1.982 4.808 -3.103 1.00 71.32 H new ATOM 0 HD12 LEU A 542 -2.544 3.130 -2.912 1.00 71.32 H new ATOM 0 HD13 LEU A 542 -2.112 3.746 -4.525 1.00 71.32 H new ATOM 0 HD21 LEU A 542 -3.412 6.496 -4.065 1.00 73.23 H new ATOM 0 HD22 LEU A 542 -3.614 5.559 -5.565 1.00 73.23 H new ATOM 0 HD23 LEU A 542 -5.043 6.081 -4.642 1.00 73.23 H new ATOM 1453 N LEU A 543 -4.570 0.452 -6.267 1.00 1.43 N ATOM 1454 CA LEU A 543 -5.306 -0.764 -6.421 1.00 43.11 C ATOM 1455 C LEU A 543 -5.029 -1.526 -5.166 1.00 73.31 C ATOM 1456 O LEU A 543 -3.870 -1.858 -4.871 1.00 44.43 O ATOM 1457 CB LEU A 543 -4.835 -1.539 -7.662 1.00 25.30 C ATOM 1458 CG LEU A 543 -5.743 -2.663 -8.236 1.00 54.11 C ATOM 1459 CD1 LEU A 543 -5.135 -3.231 -9.505 1.00 51.12 C ATOM 1460 CD2 LEU A 543 -5.987 -3.786 -7.246 1.00 3.21 C ATOM 0 H LEU A 543 -3.556 0.348 -6.310 1.00 1.43 H new ATOM 0 HA LEU A 543 -6.372 -0.591 -6.570 1.00 43.11 H new ATOM 0 HB2 LEU A 543 -4.665 -0.814 -8.458 1.00 25.30 H new ATOM 0 HB3 LEU A 543 -3.869 -1.985 -7.425 1.00 25.30 H new ATOM 0 HG LEU A 543 -6.708 -2.204 -8.453 1.00 54.11 H new ATOM 0 HD11 LEU A 543 -5.780 -4.017 -9.897 1.00 51.12 H new ATOM 0 HD12 LEU A 543 -5.036 -2.439 -10.247 1.00 51.12 H new ATOM 0 HD13 LEU A 543 -4.152 -3.646 -9.283 1.00 51.12 H new ATOM 0 HD21 LEU A 543 -6.627 -4.541 -7.703 1.00 3.21 H new ATOM 0 HD22 LEU A 543 -5.035 -4.238 -6.967 1.00 3.21 H new ATOM 0 HD23 LEU A 543 -6.474 -3.387 -6.356 1.00 3.21 H new ATOM 1472 N VAL A 544 -6.048 -1.777 -4.426 1.00 5.31 N ATOM 1473 CA VAL A 544 -5.912 -2.410 -3.148 1.00 72.13 C ATOM 1474 C VAL A 544 -6.697 -3.700 -3.087 1.00 20.23 C ATOM 1475 O VAL A 544 -7.588 -3.920 -3.894 1.00 70.24 O ATOM 1476 CB VAL A 544 -6.331 -1.462 -1.996 1.00 64.40 C ATOM 1477 CG1 VAL A 544 -5.386 -0.265 -1.902 1.00 34.43 C ATOM 1478 CG2 VAL A 544 -7.764 -0.983 -2.182 1.00 13.31 C ATOM 0 H VAL A 544 -7.009 -1.551 -4.684 1.00 5.31 H new ATOM 0 HA VAL A 544 -4.856 -2.649 -3.019 1.00 72.13 H new ATOM 0 HB VAL A 544 -6.270 -2.025 -1.065 1.00 64.40 H new ATOM 0 HG11 VAL A 544 -5.702 0.385 -1.086 1.00 34.43 H new ATOM 0 HG12 VAL A 544 -4.371 -0.616 -1.714 1.00 34.43 H new ATOM 0 HG13 VAL A 544 -5.410 0.292 -2.839 1.00 34.43 H new ATOM 0 HG21 VAL A 544 -8.035 -0.319 -1.361 1.00 13.31 H new ATOM 0 HG22 VAL A 544 -7.848 -0.445 -3.126 1.00 13.31 H new ATOM 0 HG23 VAL A 544 -8.436 -1.841 -2.192 1.00 13.31 H new ATOM 1488 N PHE A 545 -6.348 -4.548 -2.155 1.00 33.04 N ATOM 1489 CA PHE A 545 -7.005 -5.827 -1.981 1.00 24.35 C ATOM 1490 C PHE A 545 -7.493 -5.979 -0.584 1.00 24.03 C ATOM 1491 O PHE A 545 -6.702 -5.975 0.373 1.00 4.12 O ATOM 1492 CB PHE A 545 -6.064 -7.001 -2.325 1.00 60.55 C ATOM 1493 CG PHE A 545 -6.621 -8.381 -2.023 1.00 12.12 C ATOM 1494 CD1 PHE A 545 -7.446 -9.030 -2.918 1.00 32.23 C ATOM 1495 CD2 PHE A 545 -6.308 -9.022 -0.831 1.00 23.23 C ATOM 1496 CE1 PHE A 545 -7.948 -10.283 -2.637 1.00 3.12 C ATOM 1497 CE2 PHE A 545 -6.807 -10.275 -0.546 1.00 71.05 C ATOM 1498 CZ PHE A 545 -7.628 -10.905 -1.450 1.00 14.01 C ATOM 0 H PHE A 545 -5.596 -4.374 -1.489 1.00 33.04 H new ATOM 0 HA PHE A 545 -7.852 -5.850 -2.667 1.00 24.35 H new ATOM 0 HB2 PHE A 545 -5.817 -6.950 -3.385 1.00 60.55 H new ATOM 0 HB3 PHE A 545 -5.132 -6.873 -1.774 1.00 60.55 H new ATOM 0 HD1 PHE A 545 -7.702 -8.550 -3.851 1.00 32.23 H new ATOM 0 HD2 PHE A 545 -5.664 -8.531 -0.117 1.00 23.23 H new ATOM 0 HE1 PHE A 545 -8.593 -10.778 -3.348 1.00 3.12 H new ATOM 0 HE2 PHE A 545 -6.553 -10.760 0.385 1.00 71.05 H new ATOM 0 HZ PHE A 545 -8.022 -11.886 -1.230 1.00 14.01 H new ATOM 1508 N ARG A 546 -8.762 -6.133 -0.457 1.00 11.40 N ATOM 1509 CA ARG A 546 -9.336 -6.392 0.795 1.00 35.10 C ATOM 1510 C ARG A 546 -10.024 -7.690 0.725 1.00 5.20 C ATOM 1511 O ARG A 546 -10.881 -7.917 -0.138 1.00 31.33 O ATOM 1512 CB ARG A 546 -10.275 -5.307 1.207 1.00 70.34 C ATOM 1513 CG ARG A 546 -10.842 -5.498 2.594 1.00 1.41 C ATOM 1514 CD ARG A 546 -11.648 -4.308 3.001 1.00 43.22 C ATOM 1515 NE ARG A 546 -10.858 -3.078 2.933 1.00 55.33 N ATOM 1516 CZ ARG A 546 -11.292 -1.871 3.264 1.00 4.33 C ATOM 1517 NH1 ARG A 546 -12.465 -1.717 3.870 1.00 71.22 N ATOM 1518 NH2 ARG A 546 -10.532 -0.821 3.023 1.00 31.53 N ATOM 0 H ARG A 546 -9.427 -6.081 -1.229 1.00 11.40 H new ATOM 0 HA ARG A 546 -8.553 -6.425 1.553 1.00 35.10 H new ATOM 0 HB2 ARG A 546 -9.754 -4.350 1.164 1.00 70.34 H new ATOM 0 HB3 ARG A 546 -11.095 -5.256 0.491 1.00 70.34 H new ATOM 0 HG2 ARG A 546 -11.466 -6.392 2.618 1.00 1.41 H new ATOM 0 HG3 ARG A 546 -10.031 -5.656 3.306 1.00 1.41 H new ATOM 0 HD2 ARG A 546 -12.520 -4.218 2.353 1.00 43.22 H new ATOM 0 HD3 ARG A 546 -12.019 -4.448 4.016 1.00 43.22 H new ATOM 0 HE ARG A 546 -9.896 -3.156 2.604 1.00 55.33 H new ATOM 0 HH11 ARG A 546 -13.039 -2.532 4.084 1.00 71.22 H new ATOM 0 HH12 ARG A 546 -12.791 -0.784 4.121 1.00 71.22 H new ATOM 0 HH21 ARG A 546 -9.619 -0.942 2.585 1.00 31.53 H new ATOM 0 HH22 ARG A 546 -10.857 0.113 3.274 1.00 31.53 H new