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 515 ASN :FLIP amide:sc= -2.19 F(o=-4.1!,f=-1.8) USER MOD Set 1.2: A 535 LYS NZ :NH3+ 170:sc= 0.354 (180deg=0.37) USER MOD Set 2.1: A 477 SER OG : rot -72:sc= 0.341 USER MOD Set 2.2: A 524 GLN :FLIP amide:sc= 0.102 F(o=-1.2,f=0.44) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.028) USER MOD Single : A 463 GLN : amide:sc= -0.0915 K(o=-0.091,f=-1.3) USER MOD Single : A 465 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 466 LYS NZ :NH3+ -176:sc= 1.09 (180deg=1.08) USER MOD Single : A 468 THR OG1 : rot -76:sc= 1.21 USER MOD Single : A 474 SER OG : rot 180:sc= 0 USER MOD Single : A 476 THR OG1 : rot 180:sc= 0 USER MOD Single : A 489 TYR OH : rot 180:sc= 0 USER MOD Single : A 491 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 492 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.8) USER MOD Single : A 501 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.66) USER MOD Single : A 506 LYS NZ :NH3+ 144:sc= 1.26 (180deg=0.829) USER MOD Single : A 522 LYS NZ :NH3+ -145:sc= -0.416 (180deg=-3.04!) USER MOD Single : A 523 SER OG : rot 80:sc= 0.623 USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 533 SER OG : rot 180:sc= 0 USER MOD Single : A 534 THR OG1 : rot 2:sc= 0.74 USER MOD Single : A 536 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 539 THR OG1 : rot 180:sc= 0.00337 USER MOD Single : A 541 SER OG : rot 180:sc= -1.51! USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 458 -11.388 -8.420 -3.608 1.00 42.33 N ATOM 139 CA LYS A 458 -11.583 -7.476 -4.636 1.00 14.14 C ATOM 140 C LYS A 458 -10.376 -6.584 -4.723 1.00 42.13 C ATOM 141 O LYS A 458 -9.873 -6.114 -3.702 1.00 1.31 O ATOM 142 CB LYS A 458 -12.809 -6.631 -4.292 1.00 43.42 C ATOM 143 CG LYS A 458 -13.132 -5.544 -5.300 1.00 53.11 C ATOM 144 CD LYS A 458 -14.342 -4.729 -4.867 1.00 71.50 C ATOM 145 CE LYS A 458 -14.111 -4.071 -3.515 1.00 62.03 C ATOM 146 NZ LYS A 458 -15.269 -3.277 -3.071 1.00 11.43 N ATOM 0 HA LYS A 458 -11.731 -7.983 -5.590 1.00 14.14 H new ATOM 0 HB2 LYS A 458 -13.673 -7.289 -4.199 1.00 43.42 H new ATOM 0 HB3 LYS A 458 -12.653 -6.169 -3.317 1.00 43.42 H new ATOM 0 HG2 LYS A 458 -12.271 -4.886 -5.417 1.00 53.11 H new ATOM 0 HG3 LYS A 458 -13.324 -5.994 -6.274 1.00 53.11 H new ATOM 0 HD2 LYS A 458 -14.554 -3.964 -5.614 1.00 71.50 H new ATOM 0 HD3 LYS A 458 -15.218 -5.375 -4.814 1.00 71.50 H new ATOM 0 HE2 LYS A 458 -13.895 -4.839 -2.773 1.00 62.03 H new ATOM 0 HE3 LYS A 458 -13.233 -3.427 -3.573 1.00 62.03 H new ATOM 0 HZ1 LYS A 458 -15.062 -2.849 -2.146 1.00 11.43 H new ATOM 0 HZ2 LYS A 458 -15.461 -2.526 -3.764 1.00 11.43 H new ATOM 0 HZ3 LYS A 458 -16.102 -3.894 -2.989 1.00 11.43 H new ATOM 160 N ARG A 459 -9.913 -6.350 -5.911 1.00 12.31 N ATOM 161 CA ARG A 459 -8.861 -5.406 -6.115 1.00 43.20 C ATOM 162 C ARG A 459 -9.511 -4.152 -6.571 1.00 1.00 C ATOM 163 O ARG A 459 -10.383 -4.181 -7.439 1.00 3.44 O ATOM 164 CB ARG A 459 -7.822 -5.877 -7.131 1.00 24.25 C ATOM 165 CG ARG A 459 -7.009 -7.075 -6.691 1.00 33.12 C ATOM 166 CD ARG A 459 -5.926 -7.387 -7.706 1.00 12.44 C ATOM 167 NE ARG A 459 -5.060 -8.483 -7.271 1.00 53.13 N ATOM 168 CZ ARG A 459 -3.903 -8.835 -7.849 1.00 13.20 C ATOM 169 NH1 ARG A 459 -3.487 -8.236 -8.960 1.00 2.53 N ATOM 170 NH2 ARG A 459 -3.172 -9.796 -7.316 1.00 32.14 N ATOM 0 H ARG A 459 -10.250 -6.804 -6.760 1.00 12.31 H new ATOM 0 HA ARG A 459 -8.307 -5.267 -5.186 1.00 43.20 H new ATOM 0 HB2 ARG A 459 -8.330 -6.122 -8.064 1.00 24.25 H new ATOM 0 HB3 ARG A 459 -7.143 -5.052 -7.345 1.00 24.25 H new ATOM 0 HG2 ARG A 459 -6.558 -6.878 -5.719 1.00 33.12 H new ATOM 0 HG3 ARG A 459 -7.662 -7.940 -6.570 1.00 33.12 H new ATOM 0 HD2 ARG A 459 -6.387 -7.647 -8.659 1.00 12.44 H new ATOM 0 HD3 ARG A 459 -5.323 -6.495 -7.877 1.00 12.44 H new ATOM 0 HE ARG A 459 -5.362 -9.024 -6.461 1.00 53.13 H new ATOM 0 HH11 ARG A 459 -4.050 -7.498 -9.383 1.00 2.53 H new ATOM 0 HH12 ARG A 459 -2.604 -8.514 -9.389 1.00 2.53 H new ATOM 0 HH21 ARG A 459 -3.488 -10.267 -6.468 1.00 32.14 H new ATOM 0 HH22 ARG A 459 -2.291 -10.068 -7.752 1.00 32.14 H new ATOM 184 N LEU A 460 -9.138 -3.069 -5.985 1.00 3.22 N ATOM 185 CA LEU A 460 -9.825 -1.850 -6.228 1.00 35.55 C ATOM 186 C LEU A 460 -8.873 -0.805 -6.645 1.00 64.52 C ATOM 187 O LEU A 460 -7.847 -0.631 -6.020 1.00 10.23 O ATOM 188 CB LEU A 460 -10.452 -1.434 -4.949 1.00 32.31 C ATOM 189 CG LEU A 460 -11.583 -0.425 -5.022 1.00 52.35 C ATOM 190 CD1 LEU A 460 -12.747 -0.989 -5.830 1.00 32.54 C ATOM 191 CD2 LEU A 460 -12.037 -0.070 -3.625 1.00 53.04 C ATOM 0 H LEU A 460 -8.358 -3.002 -5.331 1.00 3.22 H new ATOM 0 HA LEU A 460 -10.567 -1.987 -7.015 1.00 35.55 H new ATOM 0 HB2 LEU A 460 -10.829 -2.328 -4.452 1.00 32.31 H new ATOM 0 HB3 LEU A 460 -9.672 -1.020 -4.310 1.00 32.31 H new ATOM 0 HG LEU A 460 -11.225 0.476 -5.521 1.00 52.35 H new ATOM 0 HD11 LEU A 460 -13.550 -0.253 -5.873 1.00 32.54 H new ATOM 0 HD12 LEU A 460 -12.411 -1.219 -6.841 1.00 32.54 H new ATOM 0 HD13 LEU A 460 -13.113 -1.899 -5.354 1.00 32.54 H new ATOM 0 HD21 LEU A 460 -12.849 0.655 -3.680 1.00 53.04 H new ATOM 0 HD22 LEU A 460 -12.386 -0.969 -3.116 1.00 53.04 H new ATOM 0 HD23 LEU A 460 -11.203 0.360 -3.070 1.00 53.04 H new ATOM 203 N ASN A 461 -9.204 -0.117 -7.673 1.00 51.32 N ATOM 204 CA ASN A 461 -8.361 0.954 -8.142 1.00 53.13 C ATOM 205 C ASN A 461 -8.904 2.265 -7.630 1.00 23.33 C ATOM 206 O ASN A 461 -10.012 2.687 -7.964 1.00 32.21 O ATOM 207 CB ASN A 461 -8.165 0.950 -9.686 1.00 72.23 C ATOM 208 CG ASN A 461 -9.449 1.059 -10.497 1.00 15.43 C ATOM 209 OD1 ASN A 461 -9.906 2.159 -10.826 1.00 32.20 O ATOM 210 ND2 ASN A 461 -10.019 -0.064 -10.858 1.00 33.33 N ATOM 0 H ASN A 461 -10.053 -0.265 -8.218 1.00 51.32 H new ATOM 0 HA ASN A 461 -7.359 0.803 -7.741 1.00 53.13 H new ATOM 0 HB2 ASN A 461 -7.511 1.779 -9.956 1.00 72.23 H new ATOM 0 HB3 ASN A 461 -7.650 0.032 -9.970 1.00 72.23 H new ATOM 0 HD21 ASN A 461 -10.865 -0.046 -11.427 1.00 33.33 H new ATOM 0 HD22 ASN A 461 -9.617 -0.956 -10.570 1.00 33.33 H new ATOM 217 N ILE A 462 -8.146 2.880 -6.805 1.00 14.24 N ATOM 218 CA ILE A 462 -8.527 4.084 -6.144 1.00 61.22 C ATOM 219 C ILE A 462 -7.635 5.219 -6.595 1.00 45.21 C ATOM 220 O ILE A 462 -6.437 5.064 -6.650 1.00 40.13 O ATOM 221 CB ILE A 462 -8.350 3.922 -4.613 1.00 41.32 C ATOM 222 CG1 ILE A 462 -9.172 2.744 -4.071 1.00 64.44 C ATOM 223 CG2 ILE A 462 -8.756 5.191 -3.916 1.00 50.04 C ATOM 224 CD1 ILE A 462 -9.060 2.564 -2.562 1.00 2.53 C ATOM 0 H ILE A 462 -7.211 2.555 -6.558 1.00 14.24 H new ATOM 0 HA ILE A 462 -9.568 4.297 -6.386 1.00 61.22 H new ATOM 0 HB ILE A 462 -7.298 3.715 -4.417 1.00 41.32 H new ATOM 0 HG12 ILE A 462 -10.219 2.891 -4.334 1.00 64.44 H new ATOM 0 HG13 ILE A 462 -8.846 1.828 -4.563 1.00 64.44 H new ATOM 0 HG21 ILE A 462 -8.630 5.072 -2.840 1.00 50.04 H new ATOM 0 HG22 ILE A 462 -8.132 6.014 -4.266 1.00 50.04 H new ATOM 0 HG23 ILE A 462 -9.801 5.409 -4.137 1.00 50.04 H new ATOM 0 HD11 ILE A 462 -9.667 1.714 -2.251 1.00 2.53 H new ATOM 0 HD12 ILE A 462 -8.019 2.385 -2.293 1.00 2.53 H new ATOM 0 HD13 ILE A 462 -9.414 3.465 -2.061 1.00 2.53 H new ATOM 236 N GLN A 463 -8.204 6.339 -6.918 1.00 12.21 N ATOM 237 CA GLN A 463 -7.403 7.475 -7.268 1.00 54.32 C ATOM 238 C GLN A 463 -7.398 8.519 -6.189 1.00 11.02 C ATOM 239 O GLN A 463 -8.448 8.930 -5.684 1.00 12.14 O ATOM 240 CB GLN A 463 -7.773 8.075 -8.624 1.00 54.23 C ATOM 241 CG GLN A 463 -7.408 7.182 -9.789 1.00 12.51 C ATOM 242 CD GLN A 463 -7.739 7.791 -11.126 1.00 74.33 C ATOM 243 OE1 GLN A 463 -6.914 8.478 -11.726 1.00 22.21 O ATOM 244 NE2 GLN A 463 -8.927 7.546 -11.606 1.00 4.23 N ATOM 0 H GLN A 463 -9.212 6.493 -6.947 1.00 12.21 H new ATOM 0 HA GLN A 463 -6.385 7.098 -7.364 1.00 54.32 H new ATOM 0 HB2 GLN A 463 -8.845 8.272 -8.647 1.00 54.23 H new ATOM 0 HB3 GLN A 463 -7.270 9.035 -8.739 1.00 54.23 H new ATOM 0 HG2 GLN A 463 -6.341 6.962 -9.751 1.00 12.51 H new ATOM 0 HG3 GLN A 463 -7.933 6.232 -9.689 1.00 12.51 H new ATOM 0 HE21 GLN A 463 -9.582 6.971 -11.077 1.00 4.23 H new ATOM 0 HE22 GLN A 463 -9.201 7.929 -12.511 1.00 4.23 H new ATOM 253 N LEU A 464 -6.218 8.924 -5.828 1.00 62.14 N ATOM 254 CA LEU A 464 -6.004 9.976 -4.882 1.00 25.34 C ATOM 255 C LEU A 464 -5.391 11.139 -5.590 1.00 31.35 C ATOM 256 O LEU A 464 -4.673 10.960 -6.583 1.00 44.54 O ATOM 257 CB LEU A 464 -5.074 9.516 -3.762 1.00 22.30 C ATOM 258 CG LEU A 464 -5.685 8.711 -2.594 1.00 43.31 C ATOM 259 CD1 LEU A 464 -6.669 9.555 -1.813 1.00 35.13 C ATOM 260 CD2 LEU A 464 -6.349 7.443 -3.038 1.00 71.33 C ATOM 0 H LEU A 464 -5.355 8.521 -6.193 1.00 62.14 H new ATOM 0 HA LEU A 464 -6.960 10.259 -4.441 1.00 25.34 H new ATOM 0 HB2 LEU A 464 -4.287 8.909 -4.210 1.00 22.30 H new ATOM 0 HB3 LEU A 464 -4.594 10.400 -3.343 1.00 22.30 H new ATOM 0 HG LEU A 464 -4.850 8.432 -1.952 1.00 43.31 H new ATOM 0 HD11 LEU A 464 -7.086 8.966 -0.996 1.00 35.13 H new ATOM 0 HD12 LEU A 464 -6.158 10.428 -1.407 1.00 35.13 H new ATOM 0 HD13 LEU A 464 -7.473 9.880 -2.473 1.00 35.13 H new ATOM 0 HD21 LEU A 464 -6.758 6.924 -2.171 1.00 71.33 H new ATOM 0 HD22 LEU A 464 -7.155 7.678 -3.733 1.00 71.33 H new ATOM 0 HD23 LEU A 464 -5.618 6.803 -3.533 1.00 71.33 H new ATOM 272 N LYS A 465 -5.674 12.303 -5.102 1.00 10.42 N ATOM 273 CA LYS A 465 -5.258 13.492 -5.688 1.00 55.25 C ATOM 274 C LYS A 465 -4.177 14.113 -4.867 1.00 23.52 C ATOM 275 O LYS A 465 -4.225 14.118 -3.643 1.00 5.44 O ATOM 276 CB LYS A 465 -6.418 14.437 -5.761 1.00 61.30 C ATOM 277 CG LYS A 465 -6.097 15.777 -6.413 1.00 23.53 C ATOM 278 CD LYS A 465 -7.256 16.726 -6.288 1.00 33.40 C ATOM 279 CE LYS A 465 -7.592 16.920 -4.836 1.00 52.10 C ATOM 280 NZ LYS A 465 -8.711 17.850 -4.620 1.00 25.14 N ATOM 0 H LYS A 465 -6.223 12.434 -4.252 1.00 10.42 H new ATOM 0 HA LYS A 465 -4.879 13.285 -6.689 1.00 55.25 H new ATOM 0 HB2 LYS A 465 -7.225 13.960 -6.317 1.00 61.30 H new ATOM 0 HB3 LYS A 465 -6.789 14.617 -4.752 1.00 61.30 H new ATOM 0 HG2 LYS A 465 -5.214 16.212 -5.945 1.00 23.53 H new ATOM 0 HG3 LYS A 465 -5.858 15.626 -7.466 1.00 23.53 H new ATOM 0 HD2 LYS A 465 -7.007 17.683 -6.745 1.00 33.40 H new ATOM 0 HD3 LYS A 465 -8.121 16.333 -6.823 1.00 33.40 H new ATOM 0 HE2 LYS A 465 -7.840 15.955 -4.395 1.00 52.10 H new ATOM 0 HE3 LYS A 465 -6.712 17.293 -4.313 1.00 52.10 H new ATOM 0 HZ1 LYS A 465 -8.894 17.942 -3.600 1.00 25.14 H new ATOM 0 HZ2 LYS A 465 -8.469 18.782 -5.014 1.00 25.14 H new ATOM 0 HZ3 LYS A 465 -9.562 17.485 -5.093 1.00 25.14 H new ATOM 294 N LYS A 466 -3.196 14.572 -5.527 1.00 72.13 N ATOM 295 CA LYS A 466 -2.159 15.341 -4.915 1.00 15.03 C ATOM 296 C LYS A 466 -2.728 16.723 -4.528 1.00 31.31 C ATOM 297 O LYS A 466 -2.704 17.674 -5.326 1.00 30.31 O ATOM 298 CB LYS A 466 -0.959 15.467 -5.872 1.00 32.44 C ATOM 299 CG LYS A 466 0.237 16.235 -5.321 1.00 63.54 C ATOM 300 CD LYS A 466 1.395 16.271 -6.327 1.00 1.02 C ATOM 301 CE LYS A 466 1.008 16.976 -7.632 1.00 34.30 C ATOM 302 NZ LYS A 466 2.123 17.005 -8.612 1.00 74.33 N ATOM 0 H LYS A 466 -3.073 14.430 -6.530 1.00 72.13 H new ATOM 0 HA LYS A 466 -1.803 14.845 -4.012 1.00 15.03 H new ATOM 0 HB2 LYS A 466 -0.630 14.466 -6.149 1.00 32.44 H new ATOM 0 HB3 LYS A 466 -1.294 15.957 -6.786 1.00 32.44 H new ATOM 0 HG2 LYS A 466 -0.065 17.253 -5.076 1.00 63.54 H new ATOM 0 HG3 LYS A 466 0.573 15.770 -4.394 1.00 63.54 H new ATOM 0 HD2 LYS A 466 2.247 16.782 -5.879 1.00 1.02 H new ATOM 0 HD3 LYS A 466 1.714 15.252 -6.547 1.00 1.02 H new ATOM 0 HE2 LYS A 466 0.151 16.469 -8.076 1.00 34.30 H new ATOM 0 HE3 LYS A 466 0.695 17.997 -7.411 1.00 34.30 H new ATOM 0 HZ1 LYS A 466 1.835 17.550 -9.450 1.00 74.33 H new ATOM 0 HZ2 LYS A 466 2.956 17.452 -8.178 1.00 74.33 H new ATOM 0 HZ3 LYS A 466 2.361 16.033 -8.896 1.00 74.33 H new ATOM 316 N GLY A 467 -3.342 16.778 -3.354 1.00 22.34 N ATOM 317 CA GLY A 467 -3.919 18.004 -2.856 1.00 62.13 C ATOM 318 C GLY A 467 -2.907 18.864 -2.149 1.00 44.33 C ATOM 319 O GLY A 467 -1.823 19.106 -2.676 1.00 12.43 O ATOM 0 H GLY A 467 -3.450 15.978 -2.730 1.00 22.34 H new ATOM 0 HA2 GLY A 467 -4.352 18.563 -3.686 1.00 62.13 H new ATOM 0 HA3 GLY A 467 -4.734 17.768 -2.172 1.00 62.13 H new ATOM 323 N THR A 468 -3.240 19.311 -0.954 1.00 65.44 N ATOM 324 CA THR A 468 -2.352 20.173 -0.203 1.00 43.15 C ATOM 325 C THR A 468 -1.050 19.446 0.239 1.00 34.22 C ATOM 326 O THR A 468 0.056 19.877 -0.113 1.00 54.23 O ATOM 327 CB THR A 468 -3.082 20.910 0.976 1.00 22.41 C ATOM 328 OG1 THR A 468 -2.171 21.753 1.701 1.00 0.20 O ATOM 329 CG2 THR A 468 -3.760 19.934 1.930 1.00 35.44 C ATOM 0 H THR A 468 -4.118 19.091 -0.484 1.00 65.44 H new ATOM 0 HA THR A 468 -2.033 20.959 -0.887 1.00 43.15 H new ATOM 0 HB THR A 468 -3.857 21.530 0.526 1.00 22.41 H new ATOM 0 HG1 THR A 468 -1.601 21.201 2.276 1.00 0.20 H new ATOM 0 HG21 THR A 468 -4.252 20.489 2.729 1.00 35.44 H new ATOM 0 HG22 THR A 468 -4.501 19.348 1.386 1.00 35.44 H new ATOM 0 HG23 THR A 468 -3.013 19.266 2.359 1.00 35.44 H new ATOM 337 N GLU A 469 -1.171 18.350 0.981 1.00 33.11 N ATOM 338 CA GLU A 469 0.011 17.586 1.379 1.00 31.53 C ATOM 339 C GLU A 469 0.237 16.417 0.439 1.00 60.22 C ATOM 340 O GLU A 469 1.261 15.730 0.513 1.00 3.33 O ATOM 341 CB GLU A 469 -0.058 17.110 2.852 1.00 1.43 C ATOM 342 CG GLU A 469 0.175 18.201 3.921 1.00 74.14 C ATOM 343 CD GLU A 469 -0.827 19.334 3.910 1.00 35.41 C ATOM 344 OE1 GLU A 469 -1.846 19.242 4.608 1.00 31.41 O ATOM 345 OE2 GLU A 469 -0.591 20.346 3.220 1.00 3.53 O ATOM 0 H GLU A 469 -2.058 17.974 1.315 1.00 33.11 H new ATOM 0 HA GLU A 469 0.865 18.260 1.308 1.00 31.53 H new ATOM 0 HB2 GLU A 469 -1.037 16.662 3.024 1.00 1.43 H new ATOM 0 HB3 GLU A 469 0.683 16.323 2.995 1.00 1.43 H new ATOM 0 HG2 GLU A 469 0.160 17.733 4.905 1.00 74.14 H new ATOM 0 HG3 GLU A 469 1.173 18.617 3.781 1.00 74.14 H new ATOM 352 N GLY A 470 -0.729 16.219 -0.457 1.00 55.32 N ATOM 353 CA GLY A 470 -0.695 15.123 -1.413 1.00 12.52 C ATOM 354 C GLY A 470 -0.627 13.792 -0.742 1.00 33.25 C ATOM 355 O GLY A 470 -1.045 13.690 0.386 1.00 70.12 O ATOM 0 H GLY A 470 -1.553 16.814 -0.537 1.00 55.32 H new ATOM 0 HA2 GLY A 470 -1.583 15.165 -2.043 1.00 12.52 H new ATOM 0 HA3 GLY A 470 0.167 15.242 -2.069 1.00 12.52 H new ATOM 359 N LEU A 471 -0.058 12.786 -1.414 1.00 71.21 N ATOM 360 CA LEU A 471 -0.083 11.383 -0.940 1.00 74.53 C ATOM 361 C LEU A 471 0.294 11.247 0.529 1.00 22.40 C ATOM 362 O LEU A 471 1.472 11.218 0.903 1.00 2.13 O ATOM 363 CB LEU A 471 0.778 10.469 -1.811 1.00 32.04 C ATOM 364 CG LEU A 471 0.468 10.487 -3.315 1.00 12.13 C ATOM 365 CD1 LEU A 471 1.347 9.501 -4.033 1.00 2.13 C ATOM 366 CD2 LEU A 471 -1.003 10.187 -3.585 1.00 63.21 C ATOM 0 H LEU A 471 0.433 12.912 -2.299 1.00 71.21 H new ATOM 0 HA LEU A 471 -1.119 11.058 -1.034 1.00 74.53 H new ATOM 0 HB2 LEU A 471 1.823 10.746 -1.672 1.00 32.04 H new ATOM 0 HB3 LEU A 471 0.669 9.447 -1.450 1.00 32.04 H new ATOM 0 HG LEU A 471 0.674 11.489 -3.692 1.00 12.13 H new ATOM 0 HD11 LEU A 471 1.120 9.520 -5.099 1.00 2.13 H new ATOM 0 HD12 LEU A 471 2.393 9.767 -3.879 1.00 2.13 H new ATOM 0 HD13 LEU A 471 1.166 8.500 -3.642 1.00 2.13 H new ATOM 0 HD21 LEU A 471 -1.187 10.208 -4.659 1.00 63.21 H new ATOM 0 HD22 LEU A 471 -1.251 9.201 -3.193 1.00 63.21 H new ATOM 0 HD23 LEU A 471 -1.623 10.938 -3.096 1.00 63.21 H new ATOM 378 N GLY A 472 -0.731 11.185 1.349 1.00 75.23 N ATOM 379 CA GLY A 472 -0.566 11.136 2.760 1.00 22.43 C ATOM 380 C GLY A 472 -0.827 9.779 3.276 1.00 63.35 C ATOM 381 O GLY A 472 -1.754 9.564 4.036 1.00 60.00 O ATOM 0 H GLY A 472 -1.703 11.168 1.041 1.00 75.23 H new ATOM 0 HA2 GLY A 472 0.448 11.440 3.022 1.00 22.43 H new ATOM 0 HA3 GLY A 472 -1.244 11.846 3.234 1.00 22.43 H new ATOM 385 N PHE A 473 -0.035 8.870 2.836 1.00 1.22 N ATOM 386 CA PHE A 473 -0.101 7.517 3.252 1.00 63.41 C ATOM 387 C PHE A 473 1.230 6.887 3.056 1.00 53.41 C ATOM 388 O PHE A 473 1.943 7.215 2.104 1.00 12.32 O ATOM 389 CB PHE A 473 -1.249 6.730 2.569 1.00 3.31 C ATOM 390 CG PHE A 473 -1.278 6.755 1.061 1.00 63.34 C ATOM 391 CD1 PHE A 473 -1.814 7.844 0.394 1.00 41.40 C ATOM 392 CD2 PHE A 473 -0.807 5.682 0.314 1.00 21.43 C ATOM 393 CE1 PHE A 473 -1.877 7.872 -0.975 1.00 62.21 C ATOM 394 CE2 PHE A 473 -0.869 5.710 -1.066 1.00 61.30 C ATOM 395 CZ PHE A 473 -1.407 6.809 -1.705 1.00 3.25 C ATOM 0 H PHE A 473 0.701 9.054 2.154 1.00 1.22 H new ATOM 0 HA PHE A 473 -0.349 7.489 4.313 1.00 63.41 H new ATOM 0 HB2 PHE A 473 -1.189 5.691 2.892 1.00 3.31 H new ATOM 0 HB3 PHE A 473 -2.197 7.124 2.935 1.00 3.31 H new ATOM 0 HD1 PHE A 473 -2.188 8.684 0.961 1.00 41.40 H new ATOM 0 HD2 PHE A 473 -0.390 4.821 0.815 1.00 21.43 H new ATOM 0 HE1 PHE A 473 -2.296 8.730 -1.479 1.00 62.21 H new ATOM 0 HE2 PHE A 473 -0.498 4.875 -1.642 1.00 61.30 H new ATOM 0 HZ PHE A 473 -1.458 6.832 -2.784 1.00 3.25 H new ATOM 405 N SER A 474 1.580 6.051 3.961 1.00 52.40 N ATOM 406 CA SER A 474 2.839 5.384 3.931 1.00 43.41 C ATOM 407 C SER A 474 2.611 3.898 3.817 1.00 32.15 C ATOM 408 O SER A 474 1.529 3.405 4.157 1.00 75.43 O ATOM 409 CB SER A 474 3.619 5.721 5.203 1.00 4.21 C ATOM 410 OG SER A 474 3.820 7.123 5.300 1.00 61.13 O ATOM 0 H SER A 474 0.995 5.803 4.759 1.00 52.40 H new ATOM 0 HA SER A 474 3.421 5.713 3.070 1.00 43.41 H new ATOM 0 HB2 SER A 474 3.075 5.363 6.077 1.00 4.21 H new ATOM 0 HB3 SER A 474 4.581 5.208 5.195 1.00 4.21 H new ATOM 0 HG SER A 474 4.319 7.326 6.119 1.00 61.13 H new ATOM 416 N ILE A 475 3.596 3.197 3.351 1.00 44.31 N ATOM 417 CA ILE A 475 3.510 1.775 3.171 1.00 41.12 C ATOM 418 C ILE A 475 4.494 1.049 4.046 1.00 23.45 C ATOM 419 O ILE A 475 5.491 1.614 4.490 1.00 72.23 O ATOM 420 CB ILE A 475 3.748 1.357 1.709 1.00 5.44 C ATOM 421 CG1 ILE A 475 5.020 2.028 1.156 1.00 60.22 C ATOM 422 CG2 ILE A 475 2.516 1.617 0.841 1.00 20.43 C ATOM 423 CD1 ILE A 475 5.393 1.588 -0.230 1.00 62.24 C ATOM 0 H ILE A 475 4.495 3.597 3.081 1.00 44.31 H new ATOM 0 HA ILE A 475 2.494 1.499 3.455 1.00 41.12 H new ATOM 0 HB ILE A 475 3.913 0.280 1.680 1.00 5.44 H new ATOM 0 HG12 ILE A 475 4.877 3.109 1.156 1.00 60.22 H new ATOM 0 HG13 ILE A 475 5.851 1.816 1.829 1.00 60.22 H new ATOM 0 HG21 ILE A 475 2.722 1.309 -0.184 1.00 20.43 H new ATOM 0 HG22 ILE A 475 1.671 1.047 1.228 1.00 20.43 H new ATOM 0 HG23 ILE A 475 2.276 2.680 0.860 1.00 20.43 H new ATOM 0 HD11 ILE A 475 6.298 2.107 -0.545 1.00 62.24 H new ATOM 0 HD12 ILE A 475 5.570 0.513 -0.235 1.00 62.24 H new ATOM 0 HD13 ILE A 475 4.581 1.825 -0.918 1.00 62.24 H new ATOM 435 N THR A 476 4.205 -0.182 4.306 1.00 40.23 N ATOM 436 CA THR A 476 5.062 -1.020 5.063 1.00 54.31 C ATOM 437 C THR A 476 5.051 -2.409 4.419 1.00 42.02 C ATOM 438 O THR A 476 4.113 -2.742 3.691 1.00 60.24 O ATOM 439 CB THR A 476 4.617 -1.068 6.558 1.00 14.05 C ATOM 440 OG1 THR A 476 5.534 -1.828 7.336 1.00 72.24 O ATOM 441 CG2 THR A 476 3.204 -1.625 6.718 1.00 13.25 C ATOM 0 H THR A 476 3.349 -0.639 3.991 1.00 40.23 H new ATOM 0 HA THR A 476 6.079 -0.627 5.059 1.00 54.31 H new ATOM 0 HB THR A 476 4.612 -0.040 6.921 1.00 14.05 H new ATOM 0 HG1 THR A 476 5.237 -1.843 8.270 1.00 72.24 H new ATOM 0 HG21 THR A 476 2.936 -1.640 7.775 1.00 13.25 H new ATOM 0 HG22 THR A 476 2.501 -0.994 6.174 1.00 13.25 H new ATOM 0 HG23 THR A 476 3.165 -2.639 6.319 1.00 13.25 H new ATOM 449 N SER A 477 6.086 -3.177 4.631 1.00 20.03 N ATOM 450 CA SER A 477 6.179 -4.497 4.071 1.00 52.35 C ATOM 451 C SER A 477 6.694 -5.439 5.125 1.00 41.14 C ATOM 452 O SER A 477 7.440 -5.028 6.026 1.00 44.42 O ATOM 453 CB SER A 477 7.084 -4.497 2.828 1.00 43.41 C ATOM 454 OG SER A 477 8.382 -3.990 3.122 1.00 70.31 O ATOM 0 H SER A 477 6.889 -2.904 5.198 1.00 20.03 H new ATOM 0 HA SER A 477 5.192 -4.830 3.750 1.00 52.35 H new ATOM 0 HB2 SER A 477 7.169 -5.512 2.440 1.00 43.41 H new ATOM 0 HB3 SER A 477 6.626 -3.893 2.044 1.00 43.41 H new ATOM 0 HG SER A 477 8.331 -3.021 3.259 1.00 70.31 H new ATOM 580 N PRO A 487 4.328 -8.710 0.657 1.00 34.22 N ATOM 581 CA PRO A 487 3.160 -7.876 0.412 1.00 3.34 C ATOM 582 C PRO A 487 3.299 -6.477 1.027 1.00 23.22 C ATOM 583 O PRO A 487 3.793 -6.312 2.156 1.00 65.42 O ATOM 584 CB PRO A 487 2.019 -8.652 1.073 1.00 3.44 C ATOM 585 CG PRO A 487 2.670 -9.445 2.153 1.00 34.23 C ATOM 586 CD PRO A 487 4.070 -9.737 1.685 1.00 50.23 C ATOM 0 HA PRO A 487 3.004 -7.697 -0.652 1.00 3.34 H new ATOM 0 HB2 PRO A 487 1.265 -7.977 1.478 1.00 3.44 H new ATOM 0 HB3 PRO A 487 1.515 -9.300 0.356 1.00 3.44 H new ATOM 0 HG2 PRO A 487 2.683 -8.888 3.090 1.00 34.23 H new ATOM 0 HG3 PRO A 487 2.123 -10.369 2.339 1.00 34.23 H new ATOM 0 HD2 PRO A 487 4.786 -9.670 2.504 1.00 50.23 H new ATOM 0 HD3 PRO A 487 4.151 -10.743 1.273 1.00 50.23 H new ATOM 594 N ILE A 488 2.872 -5.485 0.282 1.00 12.33 N ATOM 595 CA ILE A 488 2.944 -4.109 0.714 1.00 43.35 C ATOM 596 C ILE A 488 1.610 -3.729 1.383 1.00 30.42 C ATOM 597 O ILE A 488 0.542 -4.072 0.878 1.00 42.35 O ATOM 598 CB ILE A 488 3.202 -3.165 -0.503 1.00 32.42 C ATOM 599 CG1 ILE A 488 4.468 -3.581 -1.286 1.00 24.31 C ATOM 600 CG2 ILE A 488 3.326 -1.721 -0.053 1.00 11.52 C ATOM 601 CD1 ILE A 488 5.756 -3.536 -0.485 1.00 2.43 C ATOM 0 H ILE A 488 2.463 -5.610 -0.644 1.00 12.33 H new ATOM 0 HA ILE A 488 3.767 -3.998 1.420 1.00 43.35 H new ATOM 0 HB ILE A 488 2.343 -3.256 -1.168 1.00 32.42 H new ATOM 0 HG12 ILE A 488 4.327 -4.593 -1.665 1.00 24.31 H new ATOM 0 HG13 ILE A 488 4.573 -2.928 -2.153 1.00 24.31 H new ATOM 0 HG21 ILE A 488 3.505 -1.084 -0.919 1.00 11.52 H new ATOM 0 HG22 ILE A 488 2.404 -1.413 0.439 1.00 11.52 H new ATOM 0 HG23 ILE A 488 4.158 -1.627 0.645 1.00 11.52 H new ATOM 0 HD11 ILE A 488 6.589 -3.844 -1.117 1.00 2.43 H new ATOM 0 HD12 ILE A 488 5.927 -2.520 -0.128 1.00 2.43 H new ATOM 0 HD13 ILE A 488 5.678 -4.211 0.367 1.00 2.43 H new ATOM 613 N TYR A 489 1.674 -3.040 2.497 1.00 34.24 N ATOM 614 CA TYR A 489 0.477 -2.651 3.235 1.00 2.14 C ATOM 615 C TYR A 489 0.518 -1.187 3.586 1.00 3.15 C ATOM 616 O TYR A 489 1.586 -0.583 3.597 1.00 72.40 O ATOM 617 CB TYR A 489 0.339 -3.462 4.529 1.00 45.03 C ATOM 618 CG TYR A 489 0.115 -4.939 4.333 1.00 32.54 C ATOM 619 CD1 TYR A 489 -1.067 -5.400 3.792 1.00 63.01 C ATOM 620 CD2 TYR A 489 1.082 -5.870 4.686 1.00 51.44 C ATOM 621 CE1 TYR A 489 -1.294 -6.740 3.599 1.00 12.22 C ATOM 622 CE2 TYR A 489 0.864 -7.222 4.501 1.00 14.15 C ATOM 623 CZ TYR A 489 -0.329 -7.651 3.954 1.00 2.13 C ATOM 624 OH TYR A 489 -0.559 -8.999 3.768 1.00 73.32 O ATOM 0 H TYR A 489 2.548 -2.730 2.923 1.00 34.24 H new ATOM 0 HA TYR A 489 -0.379 -2.850 2.590 1.00 2.14 H new ATOM 0 HB2 TYR A 489 1.240 -3.322 5.126 1.00 45.03 H new ATOM 0 HB3 TYR A 489 -0.492 -3.057 5.107 1.00 45.03 H new ATOM 0 HD1 TYR A 489 -1.832 -4.690 3.514 1.00 63.01 H new ATOM 0 HD2 TYR A 489 2.016 -5.534 5.111 1.00 51.44 H new ATOM 0 HE1 TYR A 489 -2.226 -7.076 3.170 1.00 12.22 H new ATOM 0 HE2 TYR A 489 1.622 -7.938 4.782 1.00 14.15 H new ATOM 0 HH TYR A 489 0.222 -9.509 4.069 1.00 73.32 H new ATOM 634 N VAL A 490 -0.639 -0.614 3.865 1.00 42.43 N ATOM 635 CA VAL A 490 -0.712 0.767 4.302 1.00 53.25 C ATOM 636 C VAL A 490 -0.258 0.853 5.757 1.00 40.24 C ATOM 637 O VAL A 490 -0.837 0.209 6.642 1.00 41.31 O ATOM 638 CB VAL A 490 -2.148 1.352 4.206 1.00 12.52 C ATOM 639 CG1 VAL A 490 -2.148 2.828 4.581 1.00 72.15 C ATOM 640 CG2 VAL A 490 -2.734 1.165 2.826 1.00 32.24 C ATOM 0 H VAL A 490 -1.541 -1.085 3.796 1.00 42.43 H new ATOM 0 HA VAL A 490 -0.067 1.348 3.642 1.00 53.25 H new ATOM 0 HB VAL A 490 -2.773 0.805 4.912 1.00 12.52 H new ATOM 0 HG11 VAL A 490 -3.162 3.222 4.508 1.00 72.15 H new ATOM 0 HG12 VAL A 490 -1.786 2.944 5.603 1.00 72.15 H new ATOM 0 HG13 VAL A 490 -1.496 3.376 3.901 1.00 72.15 H new ATOM 0 HG21 VAL A 490 -3.739 1.586 2.797 1.00 32.24 H new ATOM 0 HG22 VAL A 490 -2.107 1.672 2.093 1.00 32.24 H new ATOM 0 HG23 VAL A 490 -2.780 0.102 2.591 1.00 32.24 H new ATOM 650 N LYS A 491 0.754 1.628 5.994 1.00 70.21 N ATOM 651 CA LYS A 491 1.295 1.793 7.318 1.00 72.34 C ATOM 652 C LYS A 491 0.495 2.825 8.082 1.00 64.21 C ATOM 653 O LYS A 491 -0.048 2.550 9.146 1.00 1.02 O ATOM 654 CB LYS A 491 2.757 2.244 7.240 1.00 50.52 C ATOM 655 CG LYS A 491 3.411 2.413 8.546 1.00 52.34 C ATOM 656 CD LYS A 491 4.830 2.846 8.362 1.00 52.42 C ATOM 657 CE LYS A 491 5.538 2.724 9.653 1.00 31.21 C ATOM 658 NZ LYS A 491 6.950 3.132 9.571 1.00 71.34 N ATOM 0 H LYS A 491 1.234 2.169 5.275 1.00 70.21 H new ATOM 0 HA LYS A 491 1.240 0.835 7.835 1.00 72.34 H new ATOM 0 HB2 LYS A 491 3.319 1.514 6.658 1.00 50.52 H new ATOM 0 HB3 LYS A 491 2.805 3.189 6.698 1.00 50.52 H new ATOM 0 HG2 LYS A 491 2.872 3.153 9.138 1.00 52.34 H new ATOM 0 HG3 LYS A 491 3.379 1.475 9.101 1.00 52.34 H new ATOM 0 HD2 LYS A 491 5.317 2.231 7.605 1.00 52.42 H new ATOM 0 HD3 LYS A 491 4.867 3.876 8.007 1.00 52.42 H new ATOM 0 HE2 LYS A 491 5.031 3.335 10.399 1.00 31.21 H new ATOM 0 HE3 LYS A 491 5.483 1.691 9.996 1.00 31.21 H new ATOM 0 HZ1 LYS A 491 7.397 3.026 10.504 1.00 71.34 H new ATOM 0 HZ2 LYS A 491 7.445 2.533 8.880 1.00 71.34 H new ATOM 0 HZ3 LYS A 491 7.007 4.126 9.271 1.00 71.34 H new ATOM 672 N ASN A 492 0.416 4.003 7.528 1.00 44.21 N ATOM 673 CA ASN A 492 -0.250 5.109 8.194 1.00 61.44 C ATOM 674 C ASN A 492 -0.904 6.004 7.174 1.00 71.42 C ATOM 675 O ASN A 492 -0.474 6.054 6.016 1.00 64.32 O ATOM 676 CB ASN A 492 0.770 5.943 8.989 1.00 53.10 C ATOM 677 CG ASN A 492 0.124 7.034 9.839 1.00 41.31 C ATOM 678 OD1 ASN A 492 -1.007 6.889 10.312 1.00 12.33 O ATOM 679 ND2 ASN A 492 0.831 8.116 10.044 1.00 33.22 N ATOM 0 H ASN A 492 0.804 4.231 6.613 1.00 44.21 H new ATOM 0 HA ASN A 492 -1.001 4.700 8.870 1.00 61.44 H new ATOM 0 HB2 ASN A 492 1.346 5.281 9.636 1.00 53.10 H new ATOM 0 HB3 ASN A 492 1.474 6.402 8.295 1.00 53.10 H new ATOM 0 HD21 ASN A 492 0.451 8.874 10.611 1.00 33.22 H new ATOM 0 HD22 ASN A 492 1.762 8.201 9.637 1.00 33.22 H new ATOM 686 N ILE A 493 -1.928 6.679 7.599 1.00 23.15 N ATOM 687 CA ILE A 493 -2.628 7.642 6.811 1.00 52.32 C ATOM 688 C ILE A 493 -2.419 9.005 7.439 1.00 4.32 C ATOM 689 O ILE A 493 -2.938 9.280 8.523 1.00 5.35 O ATOM 690 CB ILE A 493 -4.145 7.309 6.771 1.00 43.45 C ATOM 691 CG1 ILE A 493 -4.397 5.995 6.060 1.00 63.54 C ATOM 692 CG2 ILE A 493 -4.971 8.409 6.138 1.00 4.21 C ATOM 693 CD1 ILE A 493 -4.057 5.985 4.585 1.00 45.45 C ATOM 0 H ILE A 493 -2.311 6.569 8.538 1.00 23.15 H new ATOM 0 HA ILE A 493 -2.250 7.630 5.789 1.00 52.32 H new ATOM 0 HB ILE A 493 -4.464 7.220 7.810 1.00 43.45 H new ATOM 0 HG12 ILE A 493 -3.818 5.215 6.555 1.00 63.54 H new ATOM 0 HG13 ILE A 493 -5.449 5.733 6.176 1.00 63.54 H new ATOM 0 HG21 ILE A 493 -6.022 8.120 6.138 1.00 4.21 H new ATOM 0 HG22 ILE A 493 -4.848 9.330 6.707 1.00 4.21 H new ATOM 0 HG23 ILE A 493 -4.639 8.569 5.112 1.00 4.21 H new ATOM 0 HD11 ILE A 493 -4.273 5.001 4.169 1.00 45.45 H new ATOM 0 HD12 ILE A 493 -4.654 6.736 4.069 1.00 45.45 H new ATOM 0 HD13 ILE A 493 -2.999 6.210 4.454 1.00 45.45 H new ATOM 705 N LEU A 494 -1.608 9.815 6.810 1.00 31.44 N ATOM 706 CA LEU A 494 -1.382 11.178 7.260 1.00 12.53 C ATOM 707 C LEU A 494 -2.706 11.947 7.213 1.00 21.43 C ATOM 708 O LEU A 494 -3.302 12.081 6.147 1.00 51.20 O ATOM 709 CB LEU A 494 -0.292 11.903 6.428 1.00 32.24 C ATOM 710 CG LEU A 494 1.176 11.415 6.576 1.00 45.44 C ATOM 711 CD1 LEU A 494 1.366 9.974 6.120 1.00 44.55 C ATOM 712 CD2 LEU A 494 2.118 12.338 5.820 1.00 41.00 C ATOM 0 H LEU A 494 -1.084 9.557 5.974 1.00 31.44 H new ATOM 0 HA LEU A 494 -1.011 11.141 8.284 1.00 12.53 H new ATOM 0 HB2 LEU A 494 -0.566 11.825 5.376 1.00 32.24 H new ATOM 0 HB3 LEU A 494 -0.321 12.961 6.688 1.00 32.24 H new ATOM 0 HG LEU A 494 1.415 11.445 7.639 1.00 45.44 H new ATOM 0 HD11 LEU A 494 2.410 9.687 6.246 1.00 44.55 H new ATOM 0 HD12 LEU A 494 0.734 9.317 6.718 1.00 44.55 H new ATOM 0 HD13 LEU A 494 1.090 9.885 5.069 1.00 44.55 H new ATOM 0 HD21 LEU A 494 3.143 11.984 5.933 1.00 41.00 H new ATOM 0 HD22 LEU A 494 1.851 12.345 4.763 1.00 41.00 H new ATOM 0 HD23 LEU A 494 2.037 13.348 6.221 1.00 41.00 H new ATOM 724 N PRO A 495 -3.133 12.498 8.367 1.00 74.01 N ATOM 725 CA PRO A 495 -4.498 13.128 8.599 1.00 2.13 C ATOM 726 C PRO A 495 -4.730 14.438 7.877 1.00 11.31 C ATOM 727 O PRO A 495 -5.547 15.264 8.309 1.00 4.11 O ATOM 728 CB PRO A 495 -4.436 13.419 10.082 1.00 72.51 C ATOM 729 CG PRO A 495 -3.001 13.685 10.319 1.00 75.23 C ATOM 730 CD PRO A 495 -2.309 12.603 9.589 1.00 3.21 C ATOM 0 HA PRO A 495 -5.295 12.475 8.243 1.00 2.13 H new ATOM 0 HB2 PRO A 495 -5.053 14.277 10.349 1.00 72.51 H new ATOM 0 HB3 PRO A 495 -4.791 12.574 10.672 1.00 72.51 H new ATOM 0 HG2 PRO A 495 -2.711 14.667 9.946 1.00 75.23 H new ATOM 0 HG3 PRO A 495 -2.762 13.665 11.382 1.00 75.23 H new ATOM 0 HD2 PRO A 495 -1.273 12.857 9.365 1.00 3.21 H new ATOM 0 HD3 PRO A 495 -2.293 11.671 10.155 1.00 3.21 H new ATOM 738 N ARG A 496 -4.085 14.602 6.778 1.00 23.03 N ATOM 739 CA ARG A 496 -4.154 15.838 6.064 1.00 33.14 C ATOM 740 C ARG A 496 -3.672 15.726 4.624 1.00 22.21 C ATOM 741 O ARG A 496 -3.684 16.707 3.877 1.00 2.43 O ATOM 742 CB ARG A 496 -3.387 16.878 6.809 1.00 21.45 C ATOM 743 CG ARG A 496 -1.963 16.492 7.139 1.00 44.13 C ATOM 744 CD ARG A 496 -1.295 17.595 7.920 1.00 34.21 C ATOM 745 NE ARG A 496 -1.375 18.887 7.228 1.00 15.30 N ATOM 746 CZ ARG A 496 -1.320 20.079 7.833 1.00 54.35 C ATOM 747 NH1 ARG A 496 -1.154 20.153 9.151 1.00 2.03 N ATOM 748 NH2 ARG A 496 -1.429 21.193 7.114 1.00 72.32 N ATOM 0 H ARG A 496 -3.496 13.891 6.345 1.00 23.03 H new ATOM 0 HA ARG A 496 -5.203 16.126 6.000 1.00 33.14 H new ATOM 0 HB2 ARG A 496 -3.374 17.794 6.219 1.00 21.45 H new ATOM 0 HB3 ARG A 496 -3.913 17.104 7.737 1.00 21.45 H new ATOM 0 HG2 ARG A 496 -1.953 15.569 7.718 1.00 44.13 H new ATOM 0 HG3 ARG A 496 -1.408 16.299 6.221 1.00 44.13 H new ATOM 0 HD2 ARG A 496 -1.764 17.680 8.901 1.00 34.21 H new ATOM 0 HD3 ARG A 496 -0.249 17.338 8.088 1.00 34.21 H new ATOM 0 HE ARG A 496 -1.480 18.875 6.213 1.00 15.30 H new ATOM 0 HH11 ARG A 496 -1.068 19.300 9.703 1.00 2.03 H new ATOM 0 HH12 ARG A 496 -1.112 21.063 9.609 1.00 2.03 H new ATOM 0 HH21 ARG A 496 -1.554 21.137 6.103 1.00 72.32 H new ATOM 0 HH22 ARG A 496 -1.387 22.103 7.573 1.00 72.32 H new ATOM 762 N GLY A 497 -3.252 14.551 4.238 1.00 44.11 N ATOM 763 CA GLY A 497 -2.823 14.359 2.869 1.00 62.34 C ATOM 764 C GLY A 497 -3.920 13.761 1.994 1.00 44.11 C ATOM 765 O GLY A 497 -5.064 13.685 2.412 1.00 72.44 O ATOM 0 H GLY A 497 -3.196 13.725 4.834 1.00 44.11 H new ATOM 0 HA2 GLY A 497 -2.510 15.316 2.452 1.00 62.34 H new ATOM 0 HA3 GLY A 497 -1.952 13.704 2.853 1.00 62.34 H new ATOM 769 N ALA A 498 -3.538 13.289 0.811 1.00 74.12 N ATOM 770 CA ALA A 498 -4.418 12.828 -0.225 1.00 71.13 C ATOM 771 C ALA A 498 -5.451 11.848 0.279 1.00 25.11 C ATOM 772 O ALA A 498 -6.636 12.018 0.058 1.00 64.41 O ATOM 773 CB ALA A 498 -3.606 12.142 -1.304 1.00 41.24 C ATOM 0 H ALA A 498 -2.555 13.220 0.549 1.00 74.12 H new ATOM 0 HA ALA A 498 -4.940 13.704 -0.610 1.00 71.13 H new ATOM 0 HB1 ALA A 498 -4.272 11.791 -2.092 1.00 41.24 H new ATOM 0 HB2 ALA A 498 -2.888 12.847 -1.723 1.00 41.24 H new ATOM 0 HB3 ALA A 498 -3.073 11.294 -0.874 1.00 41.24 H new ATOM 779 N ALA A 499 -4.977 10.848 1.034 1.00 35.14 N ATOM 780 CA ALA A 499 -5.807 9.741 1.476 1.00 1.31 C ATOM 781 C ALA A 499 -7.011 10.209 2.249 1.00 0.23 C ATOM 782 O ALA A 499 -8.108 9.750 2.008 1.00 62.35 O ATOM 783 CB ALA A 499 -4.987 8.774 2.299 1.00 13.24 C ATOM 0 H ALA A 499 -4.009 10.792 1.350 1.00 35.14 H new ATOM 0 HA ALA A 499 -6.177 9.230 0.587 1.00 1.31 H new ATOM 0 HB1 ALA A 499 -5.618 7.948 2.626 1.00 13.24 H new ATOM 0 HB2 ALA A 499 -4.166 8.387 1.695 1.00 13.24 H new ATOM 0 HB3 ALA A 499 -4.584 9.289 3.171 1.00 13.24 H new ATOM 789 N ILE A 500 -6.792 11.093 3.175 1.00 5.55 N ATOM 790 CA ILE A 500 -7.836 11.660 4.000 1.00 51.01 C ATOM 791 C ILE A 500 -8.603 12.812 3.297 1.00 50.11 C ATOM 792 O ILE A 500 -9.823 12.945 3.472 1.00 13.12 O ATOM 793 CB ILE A 500 -7.246 12.028 5.389 1.00 13.40 C ATOM 794 CG1 ILE A 500 -8.236 12.663 6.395 1.00 64.02 C ATOM 795 CG2 ILE A 500 -6.060 12.899 5.204 1.00 31.31 C ATOM 796 CD1 ILE A 500 -8.415 14.172 6.272 1.00 72.55 C ATOM 0 H ILE A 500 -5.862 11.454 3.389 1.00 5.55 H new ATOM 0 HA ILE A 500 -8.611 10.911 4.165 1.00 51.01 H new ATOM 0 HB ILE A 500 -6.972 11.079 5.849 1.00 13.40 H new ATOM 0 HG12 ILE A 500 -9.209 12.187 6.271 1.00 64.02 H new ATOM 0 HG13 ILE A 500 -7.897 12.436 7.406 1.00 64.02 H new ATOM 0 HG21 ILE A 500 -5.644 13.159 6.177 1.00 31.31 H new ATOM 0 HG22 ILE A 500 -5.308 12.371 4.617 1.00 31.31 H new ATOM 0 HG23 ILE A 500 -6.355 13.809 4.681 1.00 31.31 H new ATOM 0 HD11 ILE A 500 -9.128 14.516 7.021 1.00 72.55 H new ATOM 0 HD12 ILE A 500 -7.456 14.666 6.429 1.00 72.55 H new ATOM 0 HD13 ILE A 500 -8.789 14.414 5.277 1.00 72.55 H new ATOM 808 N GLN A 501 -7.898 13.621 2.499 1.00 71.23 N ATOM 809 CA GLN A 501 -8.525 14.748 1.785 1.00 53.13 C ATOM 810 C GLN A 501 -9.483 14.248 0.716 1.00 73.31 C ATOM 811 O GLN A 501 -10.546 14.835 0.489 1.00 41.45 O ATOM 812 CB GLN A 501 -7.479 15.684 1.174 1.00 61.43 C ATOM 813 CG GLN A 501 -6.568 16.360 2.187 1.00 22.55 C ATOM 814 CD GLN A 501 -7.324 17.198 3.191 1.00 71.14 C ATOM 815 OE1 GLN A 501 -7.726 16.718 4.242 1.00 61.23 O ATOM 816 NE2 GLN A 501 -7.516 18.449 2.883 1.00 61.35 N ATOM 0 H GLN A 501 -6.897 13.521 2.329 1.00 71.23 H new ATOM 0 HA GLN A 501 -9.093 15.320 2.519 1.00 53.13 H new ATOM 0 HB2 GLN A 501 -6.865 15.115 0.475 1.00 61.43 H new ATOM 0 HB3 GLN A 501 -7.992 16.453 0.596 1.00 61.43 H new ATOM 0 HG2 GLN A 501 -5.993 15.599 2.716 1.00 22.55 H new ATOM 0 HG3 GLN A 501 -5.852 16.991 1.660 1.00 22.55 H new ATOM 0 HE21 GLN A 501 -7.167 18.816 1.998 1.00 61.35 H new ATOM 0 HE22 GLN A 501 -8.016 19.062 3.527 1.00 61.35 H new ATOM 825 N ASP A 502 -9.112 13.176 0.063 1.00 33.23 N ATOM 826 CA ASP A 502 -9.998 12.540 -0.894 1.00 30.10 C ATOM 827 C ASP A 502 -10.862 11.553 -0.162 1.00 61.34 C ATOM 828 O ASP A 502 -12.005 11.301 -0.543 1.00 54.53 O ATOM 829 CB ASP A 502 -9.241 11.839 -2.033 1.00 22.44 C ATOM 830 CG ASP A 502 -8.528 12.781 -2.993 1.00 42.02 C ATOM 831 OD1 ASP A 502 -9.165 13.224 -3.984 1.00 13.15 O ATOM 832 OD2 ASP A 502 -7.336 13.067 -2.795 1.00 15.22 O ATOM 0 H ASP A 502 -8.205 12.722 0.172 1.00 33.23 H new ATOM 0 HA ASP A 502 -10.605 13.316 -1.360 1.00 30.10 H new ATOM 0 HB2 ASP A 502 -8.507 11.159 -1.600 1.00 22.44 H new ATOM 0 HB3 ASP A 502 -9.946 11.229 -2.599 1.00 22.44 H new ATOM 837 N GLY A 503 -10.306 10.996 0.910 1.00 44.54 N ATOM 838 CA GLY A 503 -11.039 10.096 1.751 1.00 62.23 C ATOM 839 C GLY A 503 -11.353 8.791 1.097 1.00 41.34 C ATOM 840 O GLY A 503 -12.493 8.338 1.124 1.00 32.14 O ATOM 0 H GLY A 503 -9.344 11.162 1.206 1.00 44.54 H new ATOM 0 HA2 GLY A 503 -10.464 9.910 2.658 1.00 62.23 H new ATOM 0 HA3 GLY A 503 -11.970 10.574 2.056 1.00 62.23 H new ATOM 844 N ARG A 504 -10.370 8.171 0.511 1.00 64.43 N ATOM 845 CA ARG A 504 -10.631 6.934 -0.195 1.00 34.32 C ATOM 846 C ARG A 504 -9.864 5.762 0.424 1.00 1.24 C ATOM 847 O ARG A 504 -10.384 4.654 0.530 1.00 42.12 O ATOM 848 CB ARG A 504 -10.270 7.068 -1.675 1.00 13.04 C ATOM 849 CG ARG A 504 -10.895 8.258 -2.407 1.00 42.02 C ATOM 850 CD ARG A 504 -12.416 8.285 -2.309 1.00 43.33 C ATOM 851 NE ARG A 504 -13.070 7.118 -2.920 1.00 10.04 N ATOM 852 CZ ARG A 504 -14.390 6.892 -2.862 1.00 5.14 C ATOM 853 NH1 ARG A 504 -15.178 7.709 -2.159 1.00 11.01 N ATOM 854 NH2 ARG A 504 -14.915 5.848 -3.489 1.00 61.13 N ATOM 0 H ARG A 504 -9.400 8.485 0.502 1.00 64.43 H new ATOM 0 HA ARG A 504 -11.698 6.729 -0.107 1.00 34.32 H new ATOM 0 HB2 ARG A 504 -9.186 7.142 -1.760 1.00 13.04 H new ATOM 0 HB3 ARG A 504 -10.568 6.153 -2.187 1.00 13.04 H new ATOM 0 HG2 ARG A 504 -10.493 9.183 -1.994 1.00 42.02 H new ATOM 0 HG3 ARG A 504 -10.605 8.225 -3.457 1.00 42.02 H new ATOM 0 HD2 ARG A 504 -12.702 8.342 -1.259 1.00 43.33 H new ATOM 0 HD3 ARG A 504 -12.786 9.191 -2.790 1.00 43.33 H new ATOM 0 HE ARG A 504 -12.487 6.443 -3.415 1.00 10.04 H new ATOM 0 HH11 ARG A 504 -14.776 8.506 -1.666 1.00 11.01 H new ATOM 0 HH12 ARG A 504 -16.182 7.536 -2.115 1.00 11.01 H new ATOM 0 HH21 ARG A 504 -14.314 5.215 -4.017 1.00 61.13 H new ATOM 0 HH22 ARG A 504 -15.920 5.678 -3.443 1.00 61.13 H new ATOM 868 N LEU A 505 -8.650 6.014 0.843 1.00 32.24 N ATOM 869 CA LEU A 505 -7.796 4.973 1.378 1.00 22.55 C ATOM 870 C LEU A 505 -7.624 5.148 2.879 1.00 71.25 C ATOM 871 O LEU A 505 -7.658 6.273 3.380 1.00 34.42 O ATOM 872 CB LEU A 505 -6.432 5.026 0.678 1.00 42.35 C ATOM 873 CG LEU A 505 -5.408 3.963 1.082 1.00 15.15 C ATOM 874 CD1 LEU A 505 -5.921 2.568 0.764 1.00 20.40 C ATOM 875 CD2 LEU A 505 -4.088 4.219 0.388 1.00 55.34 C ATOM 0 H LEU A 505 -8.223 6.940 0.825 1.00 32.24 H new ATOM 0 HA LEU A 505 -8.258 4.002 1.198 1.00 22.55 H new ATOM 0 HB2 LEU A 505 -6.598 4.947 -0.396 1.00 42.35 H new ATOM 0 HB3 LEU A 505 -5.994 6.007 0.861 1.00 42.35 H new ATOM 0 HG LEU A 505 -5.253 4.025 2.159 1.00 15.15 H new ATOM 0 HD11 LEU A 505 -5.176 1.830 1.060 1.00 20.40 H new ATOM 0 HD12 LEU A 505 -6.847 2.388 1.310 1.00 20.40 H new ATOM 0 HD13 LEU A 505 -6.109 2.485 -0.306 1.00 20.40 H new ATOM 0 HD21 LEU A 505 -3.368 3.456 0.683 1.00 55.34 H new ATOM 0 HD22 LEU A 505 -4.232 4.183 -0.692 1.00 55.34 H new ATOM 0 HD23 LEU A 505 -3.712 5.202 0.672 1.00 55.34 H new ATOM 887 N LYS A 506 -7.462 4.045 3.585 1.00 72.33 N ATOM 888 CA LYS A 506 -7.243 4.070 5.009 1.00 32.34 C ATOM 889 C LYS A 506 -6.157 3.072 5.387 1.00 51.41 C ATOM 890 O LYS A 506 -5.720 2.280 4.548 1.00 62.20 O ATOM 891 CB LYS A 506 -8.536 3.864 5.846 1.00 14.25 C ATOM 892 CG LYS A 506 -9.310 2.547 5.625 1.00 42.42 C ATOM 893 CD LYS A 506 -9.958 2.444 4.238 1.00 5.53 C ATOM 894 CE LYS A 506 -10.957 3.566 4.001 1.00 33.54 C ATOM 895 NZ LYS A 506 -11.618 3.453 2.689 1.00 23.11 N ATOM 0 H LYS A 506 -7.479 3.108 3.182 1.00 72.33 H new ATOM 0 HA LYS A 506 -6.905 5.075 5.260 1.00 32.34 H new ATOM 0 HB2 LYS A 506 -8.271 3.928 6.901 1.00 14.25 H new ATOM 0 HB3 LYS A 506 -9.211 4.693 5.636 1.00 14.25 H new ATOM 0 HG2 LYS A 506 -8.629 1.707 5.763 1.00 42.42 H new ATOM 0 HG3 LYS A 506 -10.084 2.458 6.387 1.00 42.42 H new ATOM 0 HD2 LYS A 506 -9.184 2.477 3.471 1.00 5.53 H new ATOM 0 HD3 LYS A 506 -10.461 1.482 4.142 1.00 5.53 H new ATOM 0 HE2 LYS A 506 -11.711 3.552 4.788 1.00 33.54 H new ATOM 0 HE3 LYS A 506 -10.445 4.526 4.067 1.00 33.54 H new ATOM 0 HZ1 LYS A 506 -12.608 3.762 2.771 1.00 23.11 H new ATOM 0 HZ2 LYS A 506 -11.124 4.053 1.998 1.00 23.11 H new ATOM 0 HZ3 LYS A 506 -11.590 2.463 2.370 1.00 23.11 H new ATOM 909 N ALA A 507 -5.712 3.109 6.622 1.00 24.13 N ATOM 910 CA ALA A 507 -4.617 2.270 7.037 1.00 71.24 C ATOM 911 C ALA A 507 -5.064 0.918 7.518 1.00 42.34 C ATOM 912 O ALA A 507 -5.314 0.708 8.709 1.00 4.12 O ATOM 913 CB ALA A 507 -3.732 2.950 8.054 1.00 22.52 C ATOM 0 H ALA A 507 -6.092 3.710 7.353 1.00 24.13 H new ATOM 0 HA ALA A 507 -4.019 2.101 6.142 1.00 71.24 H new ATOM 0 HB1 ALA A 507 -2.921 2.279 8.337 1.00 22.52 H new ATOM 0 HB2 ALA A 507 -3.316 3.861 7.623 1.00 22.52 H new ATOM 0 HB3 ALA A 507 -4.319 3.202 8.937 1.00 22.52 H new ATOM 919 N GLY A 508 -5.226 0.039 6.583 1.00 43.53 N ATOM 920 CA GLY A 508 -5.566 -1.328 6.871 1.00 54.11 C ATOM 921 C GLY A 508 -5.773 -2.087 5.603 1.00 32.24 C ATOM 922 O GLY A 508 -6.388 -3.157 5.585 1.00 42.10 O ATOM 0 H GLY A 508 -5.127 0.245 5.589 1.00 43.53 H new ATOM 0 HA2 GLY A 508 -4.772 -1.792 7.455 1.00 54.11 H new ATOM 0 HA3 GLY A 508 -6.471 -1.365 7.477 1.00 54.11 H new ATOM 926 N ASP A 509 -5.247 -1.551 4.532 1.00 64.21 N ATOM 927 CA ASP A 509 -5.434 -2.133 3.224 1.00 44.03 C ATOM 928 C ASP A 509 -4.131 -2.577 2.645 1.00 75.12 C ATOM 929 O ASP A 509 -3.060 -2.050 2.997 1.00 12.54 O ATOM 930 CB ASP A 509 -6.136 -1.153 2.265 1.00 61.51 C ATOM 931 CG ASP A 509 -7.551 -0.831 2.686 1.00 55.14 C ATOM 932 OD1 ASP A 509 -8.470 -1.595 2.337 1.00 23.35 O ATOM 933 OD2 ASP A 509 -7.767 0.163 3.394 1.00 15.42 O ATOM 0 H ASP A 509 -4.680 -0.703 4.539 1.00 64.21 H new ATOM 0 HA ASP A 509 -6.076 -3.005 3.347 1.00 44.03 H new ATOM 0 HB2 ASP A 509 -5.559 -0.230 2.211 1.00 61.51 H new ATOM 0 HB3 ASP A 509 -6.149 -1.580 1.262 1.00 61.51 H new ATOM 938 N ARG A 510 -4.203 -3.553 1.787 1.00 32.51 N ATOM 939 CA ARG A 510 -3.047 -4.055 1.120 1.00 73.24 C ATOM 940 C ARG A 510 -2.883 -3.382 -0.208 1.00 13.11 C ATOM 941 O ARG A 510 -3.841 -3.245 -0.969 1.00 72.44 O ATOM 942 CB ARG A 510 -3.145 -5.558 0.892 1.00 52.33 C ATOM 943 CG ARG A 510 -1.979 -6.132 0.081 1.00 4.40 C ATOM 944 CD ARG A 510 -2.279 -7.524 -0.357 1.00 1.30 C ATOM 945 NE ARG A 510 -1.242 -8.108 -1.205 1.00 13.22 N ATOM 946 CZ ARG A 510 -0.970 -9.422 -1.263 1.00 42.52 C ATOM 947 NH1 ARG A 510 -1.502 -10.268 -0.368 1.00 65.52 N ATOM 948 NH2 ARG A 510 -0.168 -9.885 -2.202 1.00 54.33 N ATOM 0 H ARG A 510 -5.072 -4.022 1.532 1.00 32.51 H new ATOM 0 HA ARG A 510 -2.188 -3.847 1.758 1.00 73.24 H new ATOM 0 HB2 ARG A 510 -3.188 -6.062 1.858 1.00 52.33 H new ATOM 0 HB3 ARG A 510 -4.079 -5.779 0.376 1.00 52.33 H new ATOM 0 HG2 ARG A 510 -1.791 -5.504 -0.790 1.00 4.40 H new ATOM 0 HG3 ARG A 510 -1.071 -6.122 0.683 1.00 4.40 H new ATOM 0 HD2 ARG A 510 -2.412 -8.152 0.524 1.00 1.30 H new ATOM 0 HD3 ARG A 510 -3.225 -7.529 -0.899 1.00 1.30 H new ATOM 0 HE ARG A 510 -0.691 -7.479 -1.789 1.00 13.22 H new ATOM 0 HH11 ARG A 510 -2.118 -9.915 0.364 1.00 65.52 H new ATOM 0 HH12 ARG A 510 -1.290 -11.264 -0.419 1.00 65.52 H new ATOM 0 HH21 ARG A 510 0.244 -9.246 -2.882 1.00 54.33 H new ATOM 0 HH22 ARG A 510 0.040 -10.882 -2.248 1.00 54.33 H new ATOM 962 N LEU A 511 -1.689 -2.991 -0.475 1.00 52.00 N ATOM 963 CA LEU A 511 -1.324 -2.430 -1.723 1.00 60.42 C ATOM 964 C LEU A 511 -1.032 -3.540 -2.735 1.00 53.23 C ATOM 965 O LEU A 511 -0.291 -4.489 -2.437 1.00 25.44 O ATOM 966 CB LEU A 511 -0.105 -1.522 -1.551 1.00 74.01 C ATOM 967 CG LEU A 511 -0.348 -0.044 -1.268 1.00 52.21 C ATOM 968 CD1 LEU A 511 -1.046 0.601 -2.450 1.00 71.24 C ATOM 969 CD2 LEU A 511 -1.139 0.156 -0.001 1.00 14.33 C ATOM 0 H LEU A 511 -0.917 -3.055 0.189 1.00 52.00 H new ATOM 0 HA LEU A 511 -2.153 -1.831 -2.100 1.00 60.42 H new ATOM 0 HB2 LEU A 511 0.498 -1.923 -0.736 1.00 74.01 H new ATOM 0 HB3 LEU A 511 0.496 -1.594 -2.458 1.00 74.01 H new ATOM 0 HG LEU A 511 0.619 0.438 -1.123 1.00 52.21 H new ATOM 0 HD11 LEU A 511 -1.216 1.657 -2.240 1.00 71.24 H new ATOM 0 HD12 LEU A 511 -0.422 0.504 -3.338 1.00 71.24 H new ATOM 0 HD13 LEU A 511 -2.002 0.107 -2.622 1.00 71.24 H new ATOM 0 HD21 LEU A 511 -1.292 1.222 0.168 1.00 14.33 H new ATOM 0 HD22 LEU A 511 -2.105 -0.340 -0.093 1.00 14.33 H new ATOM 0 HD23 LEU A 511 -0.592 -0.269 0.840 1.00 14.33 H new ATOM 981 N ILE A 512 -1.640 -3.441 -3.895 1.00 35.45 N ATOM 982 CA ILE A 512 -1.408 -4.384 -4.987 1.00 25.43 C ATOM 983 C ILE A 512 -0.591 -3.716 -6.087 1.00 61.33 C ATOM 984 O ILE A 512 0.358 -4.307 -6.633 1.00 3.41 O ATOM 985 CB ILE A 512 -2.741 -4.885 -5.615 1.00 53.31 C ATOM 986 CG1 ILE A 512 -3.628 -5.605 -4.584 1.00 33.52 C ATOM 987 CG2 ILE A 512 -2.451 -5.814 -6.794 1.00 64.41 C ATOM 988 CD1 ILE A 512 -3.050 -6.906 -4.076 1.00 1.41 C ATOM 0 H ILE A 512 -2.312 -2.706 -4.117 1.00 35.45 H new ATOM 0 HA ILE A 512 -0.873 -5.235 -4.565 1.00 25.43 H new ATOM 0 HB ILE A 512 -3.287 -4.009 -5.966 1.00 53.31 H new ATOM 0 HG12 ILE A 512 -3.797 -4.939 -3.737 1.00 33.52 H new ATOM 0 HG13 ILE A 512 -4.601 -5.803 -5.033 1.00 33.52 H new ATOM 0 HG21 ILE A 512 -3.391 -6.158 -7.226 1.00 64.41 H new ATOM 0 HG22 ILE A 512 -1.880 -5.275 -7.550 1.00 64.41 H new ATOM 0 HG23 ILE A 512 -1.875 -6.672 -6.448 1.00 64.41 H new ATOM 0 HD11 ILE A 512 -3.735 -7.351 -3.354 1.00 1.41 H new ATOM 0 HD12 ILE A 512 -2.908 -7.592 -4.911 1.00 1.41 H new ATOM 0 HD13 ILE A 512 -2.090 -6.715 -3.596 1.00 1.41 H new ATOM 1000 N GLU A 513 -0.956 -2.491 -6.401 1.00 1.24 N ATOM 1001 CA GLU A 513 -0.344 -1.740 -7.473 1.00 31.34 C ATOM 1002 C GLU A 513 -0.572 -0.260 -7.264 1.00 2.21 C ATOM 1003 O GLU A 513 -1.497 0.133 -6.570 1.00 21.31 O ATOM 1004 CB GLU A 513 -0.954 -2.208 -8.807 1.00 74.32 C ATOM 1005 CG GLU A 513 -0.603 -1.429 -10.034 1.00 62.43 C ATOM 1006 CD GLU A 513 -1.314 -1.949 -11.245 1.00 11.11 C ATOM 1007 OE1 GLU A 513 -0.912 -3.003 -11.785 1.00 1.22 O ATOM 1008 OE2 GLU A 513 -2.294 -1.308 -11.679 1.00 41.03 O ATOM 0 H GLU A 513 -1.694 -1.984 -5.913 1.00 1.24 H new ATOM 0 HA GLU A 513 0.732 -1.912 -7.488 1.00 31.34 H new ATOM 0 HB2 GLU A 513 -0.656 -3.244 -8.969 1.00 74.32 H new ATOM 0 HB3 GLU A 513 -2.039 -2.201 -8.702 1.00 74.32 H new ATOM 0 HG2 GLU A 513 -0.859 -0.380 -9.884 1.00 62.43 H new ATOM 0 HG3 GLU A 513 0.474 -1.474 -10.197 1.00 62.43 H new ATOM 1015 N VAL A 514 0.294 0.538 -7.814 1.00 61.33 N ATOM 1016 CA VAL A 514 0.139 1.952 -7.828 1.00 74.35 C ATOM 1017 C VAL A 514 0.663 2.512 -9.160 1.00 65.12 C ATOM 1018 O VAL A 514 1.774 2.209 -9.580 1.00 51.22 O ATOM 1019 CB VAL A 514 0.761 2.646 -6.575 1.00 10.33 C ATOM 1020 CG1 VAL A 514 2.167 2.224 -6.380 1.00 31.14 C ATOM 1021 CG2 VAL A 514 0.696 4.149 -6.696 1.00 24.42 C ATOM 0 H VAL A 514 1.144 0.212 -8.274 1.00 61.33 H new ATOM 0 HA VAL A 514 -0.924 2.184 -7.760 1.00 74.35 H new ATOM 0 HB VAL A 514 0.175 2.339 -5.709 1.00 10.33 H new ATOM 0 HG11 VAL A 514 2.578 2.721 -5.501 1.00 31.14 H new ATOM 0 HG12 VAL A 514 2.206 1.144 -6.237 1.00 31.14 H new ATOM 0 HG13 VAL A 514 2.753 2.496 -7.258 1.00 31.14 H new ATOM 0 HG21 VAL A 514 1.136 4.605 -5.809 1.00 24.42 H new ATOM 0 HG22 VAL A 514 1.249 4.467 -7.580 1.00 24.42 H new ATOM 0 HG23 VAL A 514 -0.344 4.462 -6.786 1.00 24.42 H new ATOM 1031 N ASN A 515 -0.196 3.258 -9.830 1.00 13.30 N ATOM 1032 CA ASN A 515 0.047 3.860 -11.183 1.00 22.14 C ATOM 1033 C ASN A 515 0.273 2.828 -12.294 1.00 62.11 C ATOM 1034 O ASN A 515 0.663 3.186 -13.410 1.00 12.51 O ATOM 1035 CB ASN A 515 1.163 4.930 -11.219 1.00 41.05 C ATOM 1036 CG ASN A 515 0.825 6.196 -10.461 1.00 51.31 C ATOM 1037 OD1 ASN A 515 1.313 6.321 -9.260 1.00 1.52 O flip ATOM 1038 ND2 ASN A 515 0.169 7.089 -10.987 1.00 0.15 N flip ATOM 0 H ASN A 515 -1.119 3.485 -9.460 1.00 13.30 H new ATOM 0 HA ASN A 515 -0.895 4.369 -11.388 1.00 22.14 H new ATOM 0 HB2 ASN A 515 2.076 4.503 -10.804 1.00 41.05 H new ATOM 0 HB3 ASN A 515 1.374 5.186 -12.257 1.00 41.05 H new ATOM 0 HD21 ASN A 515 -0.201 6.963 -11.929 1.00 0.15 H new ATOM 0 HD22 ASN A 515 -0.007 7.958 -10.482 1.00 0.15 H new ATOM 1045 N GLY A 516 -0.018 1.580 -12.024 1.00 63.43 N ATOM 1046 CA GLY A 516 0.167 0.551 -13.034 1.00 34.14 C ATOM 1047 C GLY A 516 1.425 -0.263 -12.821 1.00 3.21 C ATOM 1048 O GLY A 516 1.860 -0.994 -13.711 1.00 1.24 O ATOM 0 H GLY A 516 -0.379 1.248 -11.129 1.00 63.43 H new ATOM 0 HA2 GLY A 516 -0.696 -0.115 -13.029 1.00 34.14 H new ATOM 0 HA3 GLY A 516 0.204 1.018 -14.018 1.00 34.14 H new ATOM 1052 N VAL A 517 1.990 -0.167 -11.637 1.00 14.14 N ATOM 1053 CA VAL A 517 3.208 -0.870 -11.318 1.00 31.35 C ATOM 1054 C VAL A 517 2.919 -1.858 -10.217 1.00 3.33 C ATOM 1055 O VAL A 517 2.363 -1.488 -9.174 1.00 72.41 O ATOM 1056 CB VAL A 517 4.322 0.100 -10.875 1.00 63.44 C ATOM 1057 CG1 VAL A 517 5.606 -0.645 -10.580 1.00 33.33 C ATOM 1058 CG2 VAL A 517 4.560 1.153 -11.931 1.00 42.31 C ATOM 0 H VAL A 517 1.618 0.398 -10.874 1.00 14.14 H new ATOM 0 HA VAL A 517 3.560 -1.387 -12.211 1.00 31.35 H new ATOM 0 HB VAL A 517 3.994 0.591 -9.959 1.00 63.44 H new ATOM 0 HG11 VAL A 517 6.374 0.063 -10.270 1.00 33.33 H new ATOM 0 HG12 VAL A 517 5.433 -1.366 -9.781 1.00 33.33 H new ATOM 0 HG13 VAL A 517 5.936 -1.170 -11.476 1.00 33.33 H new ATOM 0 HG21 VAL A 517 5.349 1.828 -11.600 1.00 42.31 H new ATOM 0 HG22 VAL A 517 4.860 0.673 -12.863 1.00 42.31 H new ATOM 0 HG23 VAL A 517 3.643 1.719 -12.093 1.00 42.31 H new ATOM 1068 N ASP A 518 3.306 -3.086 -10.430 1.00 25.51 N ATOM 1069 CA ASP A 518 2.968 -4.167 -9.527 1.00 2.11 C ATOM 1070 C ASP A 518 3.969 -4.199 -8.394 1.00 52.15 C ATOM 1071 O ASP A 518 5.158 -3.922 -8.596 1.00 23.23 O ATOM 1072 CB ASP A 518 2.951 -5.485 -10.281 1.00 34.12 C ATOM 1073 CG ASP A 518 2.317 -6.598 -9.498 1.00 71.21 C ATOM 1074 OD1 ASP A 518 3.006 -7.270 -8.718 1.00 22.34 O ATOM 1075 OD2 ASP A 518 1.103 -6.823 -9.663 1.00 50.03 O ATOM 0 H ASP A 518 3.865 -3.372 -11.234 1.00 25.51 H new ATOM 0 HA ASP A 518 1.974 -4.006 -9.110 1.00 2.11 H new ATOM 0 HB2 ASP A 518 2.411 -5.354 -11.219 1.00 34.12 H new ATOM 0 HB3 ASP A 518 3.973 -5.764 -10.537 1.00 34.12 H new ATOM 1080 N LEU A 519 3.508 -4.526 -7.221 1.00 11.32 N ATOM 1081 CA LEU A 519 4.329 -4.412 -6.032 1.00 43.11 C ATOM 1082 C LEU A 519 4.960 -5.718 -5.633 1.00 13.10 C ATOM 1083 O LEU A 519 6.158 -5.787 -5.379 1.00 41.41 O ATOM 1084 CB LEU A 519 3.470 -3.946 -4.897 1.00 31.42 C ATOM 1085 CG LEU A 519 2.598 -2.751 -5.184 1.00 53.30 C ATOM 1086 CD1 LEU A 519 1.824 -2.398 -3.973 1.00 71.33 C ATOM 1087 CD2 LEU A 519 3.397 -1.575 -5.680 1.00 61.54 C ATOM 0 H LEU A 519 2.565 -4.876 -7.054 1.00 11.32 H new ATOM 0 HA LEU A 519 5.129 -3.706 -6.257 1.00 43.11 H new ATOM 0 HB2 LEU A 519 2.831 -4.773 -4.586 1.00 31.42 H new ATOM 0 HB3 LEU A 519 4.115 -3.707 -4.052 1.00 31.42 H new ATOM 0 HG LEU A 519 1.907 -3.018 -5.984 1.00 53.30 H new ATOM 0 HD11 LEU A 519 1.194 -1.534 -4.183 1.00 71.33 H new ATOM 0 HD12 LEU A 519 1.198 -3.242 -3.683 1.00 71.33 H new ATOM 0 HD13 LEU A 519 2.509 -2.159 -3.160 1.00 71.33 H new ATOM 0 HD21 LEU A 519 2.728 -0.737 -5.874 1.00 61.54 H new ATOM 0 HD22 LEU A 519 4.129 -1.288 -4.925 1.00 61.54 H new ATOM 0 HD23 LEU A 519 3.913 -1.848 -6.600 1.00 61.54 H new ATOM 1099 N VAL A 520 4.159 -6.746 -5.565 1.00 50.20 N ATOM 1100 CA VAL A 520 4.618 -8.028 -5.104 1.00 2.03 C ATOM 1101 C VAL A 520 5.540 -8.673 -6.117 1.00 4.31 C ATOM 1102 O VAL A 520 5.114 -9.275 -7.106 1.00 63.24 O ATOM 1103 CB VAL A 520 3.445 -8.936 -4.678 1.00 64.35 C ATOM 1104 CG1 VAL A 520 3.926 -10.322 -4.285 1.00 31.31 C ATOM 1105 CG2 VAL A 520 2.728 -8.284 -3.505 1.00 13.25 C ATOM 0 H VAL A 520 3.173 -6.719 -5.826 1.00 50.20 H new ATOM 0 HA VAL A 520 5.212 -7.873 -4.203 1.00 2.03 H new ATOM 0 HB VAL A 520 2.766 -9.053 -5.523 1.00 64.35 H new ATOM 0 HG11 VAL A 520 3.073 -10.933 -3.991 1.00 31.31 H new ATOM 0 HG12 VAL A 520 4.430 -10.786 -5.133 1.00 31.31 H new ATOM 0 HG13 VAL A 520 4.621 -10.243 -3.449 1.00 31.31 H new ATOM 0 HG21 VAL A 520 1.895 -8.914 -3.192 1.00 13.25 H new ATOM 0 HG22 VAL A 520 3.424 -8.163 -2.675 1.00 13.25 H new ATOM 0 HG23 VAL A 520 2.350 -7.307 -3.807 1.00 13.25 H new ATOM 1115 N GLY A 521 6.800 -8.496 -5.870 1.00 61.51 N ATOM 1116 CA GLY A 521 7.831 -8.934 -6.748 1.00 2.11 C ATOM 1117 C GLY A 521 8.971 -7.955 -6.697 1.00 71.34 C ATOM 1118 O GLY A 521 10.115 -8.292 -7.007 1.00 50.40 O ATOM 0 H GLY A 521 7.145 -8.031 -5.030 1.00 61.51 H new ATOM 0 HA2 GLY A 521 8.175 -9.927 -6.458 1.00 2.11 H new ATOM 0 HA3 GLY A 521 7.449 -9.014 -7.766 1.00 2.11 H new ATOM 1122 N LYS A 522 8.659 -6.726 -6.303 1.00 41.33 N ATOM 1123 CA LYS A 522 9.660 -5.700 -6.149 1.00 11.55 C ATOM 1124 C LYS A 522 9.864 -5.348 -4.686 1.00 61.03 C ATOM 1125 O LYS A 522 9.191 -5.896 -3.806 1.00 45.42 O ATOM 1126 CB LYS A 522 9.357 -4.437 -6.969 1.00 14.21 C ATOM 1127 CG LYS A 522 8.032 -3.738 -6.681 1.00 35.31 C ATOM 1128 CD LYS A 522 7.965 -2.312 -7.269 1.00 22.22 C ATOM 1129 CE LYS A 522 8.033 -2.226 -8.803 1.00 35.13 C ATOM 1130 NZ LYS A 522 9.303 -2.722 -9.399 1.00 2.23 N ATOM 0 H LYS A 522 7.710 -6.423 -6.085 1.00 41.33 H new ATOM 0 HA LYS A 522 10.586 -6.119 -6.544 1.00 11.55 H new ATOM 0 HB2 LYS A 522 10.163 -3.722 -6.803 1.00 14.21 H new ATOM 0 HB3 LYS A 522 9.379 -4.703 -8.026 1.00 14.21 H new ATOM 0 HG2 LYS A 522 7.216 -4.333 -7.091 1.00 35.31 H new ATOM 0 HG3 LYS A 522 7.880 -3.689 -5.603 1.00 35.31 H new ATOM 0 HD2 LYS A 522 7.039 -1.844 -6.937 1.00 22.22 H new ATOM 0 HD3 LYS A 522 8.785 -1.727 -6.853 1.00 22.22 H new ATOM 0 HE2 LYS A 522 7.204 -2.796 -9.222 1.00 35.13 H new ATOM 0 HE3 LYS A 522 7.889 -1.188 -9.102 1.00 35.13 H new ATOM 0 HZ1 LYS A 522 9.542 -2.149 -10.233 1.00 2.23 H new ATOM 0 HZ2 LYS A 522 10.067 -2.649 -8.698 1.00 2.23 H new ATOM 0 HZ3 LYS A 522 9.188 -3.716 -9.683 1.00 2.23 H new ATOM 1144 N SER A 523 10.786 -4.451 -4.443 1.00 21.51 N ATOM 1145 CA SER A 523 11.156 -4.028 -3.112 1.00 72.32 C ATOM 1146 C SER A 523 10.285 -2.841 -2.693 1.00 4.33 C ATOM 1147 O SER A 523 9.724 -2.144 -3.553 1.00 43.13 O ATOM 1148 CB SER A 523 12.612 -3.595 -3.160 1.00 54.44 C ATOM 1149 OG SER A 523 13.393 -4.564 -3.858 1.00 73.13 O ATOM 0 H SER A 523 11.313 -3.983 -5.180 1.00 21.51 H new ATOM 0 HA SER A 523 11.016 -4.838 -2.396 1.00 72.32 H new ATOM 0 HB2 SER A 523 12.695 -2.627 -3.654 1.00 54.44 H new ATOM 0 HB3 SER A 523 12.995 -3.470 -2.147 1.00 54.44 H new ATOM 0 HG SER A 523 13.282 -4.439 -4.824 1.00 73.13 H new ATOM 1155 N GLN A 524 10.192 -2.599 -1.388 1.00 50.40 N ATOM 1156 CA GLN A 524 9.385 -1.499 -0.861 1.00 43.20 C ATOM 1157 C GLN A 524 9.874 -0.158 -1.378 1.00 62.55 C ATOM 1158 O GLN A 524 9.079 0.687 -1.763 1.00 25.40 O ATOM 1159 CB GLN A 524 9.421 -1.470 0.661 1.00 73.13 C ATOM 1160 CG GLN A 524 8.535 -0.381 1.254 1.00 20.23 C ATOM 1161 CD GLN A 524 8.632 -0.285 2.747 1.00 22.00 C ATOM 1162 OE1 GLN A 524 7.812 -1.011 3.424 1.00 40.13 O flip ATOM 1163 NE2 GLN A 524 9.448 0.453 3.289 1.00 43.33 N flip ATOM 0 H GLN A 524 10.666 -3.151 -0.673 1.00 50.40 H new ATOM 0 HA GLN A 524 8.364 -1.670 -1.201 1.00 43.20 H new ATOM 0 HB2 GLN A 524 9.104 -2.439 1.046 1.00 73.13 H new ATOM 0 HB3 GLN A 524 10.448 -1.316 0.992 1.00 73.13 H new ATOM 0 HG2 GLN A 524 8.809 0.579 0.817 1.00 20.23 H new ATOM 0 HG3 GLN A 524 7.499 -0.574 0.976 1.00 20.23 H new ATOM 0 HE21 GLN A 524 10.083 1.015 2.722 1.00 43.33 H new ATOM 0 HE22 GLN A 524 9.492 0.505 4.307 1.00 43.33 H new ATOM 1172 N GLU A 525 11.184 0.023 -1.374 1.00 73.13 N ATOM 1173 CA GLU A 525 11.811 1.285 -1.798 1.00 44.45 C ATOM 1174 C GLU A 525 11.406 1.655 -3.218 1.00 54.23 C ATOM 1175 O GLU A 525 11.214 2.832 -3.542 1.00 14.01 O ATOM 1176 CB GLU A 525 13.339 1.239 -1.714 1.00 24.11 C ATOM 1177 CG GLU A 525 13.902 0.724 -0.405 1.00 65.31 C ATOM 1178 CD GLU A 525 13.895 -0.782 -0.339 1.00 41.34 C ATOM 1179 OE1 GLU A 525 14.885 -1.396 -0.781 1.00 62.22 O ATOM 1180 OE2 GLU A 525 12.906 -1.371 0.125 1.00 23.01 O ATOM 0 H GLU A 525 11.850 -0.692 -1.080 1.00 73.13 H new ATOM 0 HA GLU A 525 11.451 2.044 -1.104 1.00 44.45 H new ATOM 0 HB2 GLU A 525 13.712 0.610 -2.523 1.00 24.11 H new ATOM 0 HB3 GLU A 525 13.726 2.243 -1.886 1.00 24.11 H new ATOM 0 HG2 GLU A 525 14.922 1.087 -0.282 1.00 65.31 H new ATOM 0 HG3 GLU A 525 13.318 1.126 0.423 1.00 65.31 H new ATOM 1187 N GLU A 526 11.258 0.650 -4.051 1.00 3.22 N ATOM 1188 CA GLU A 526 10.834 0.842 -5.415 1.00 60.14 C ATOM 1189 C GLU A 526 9.435 1.443 -5.438 1.00 14.11 C ATOM 1190 O GLU A 526 9.129 2.321 -6.248 1.00 21.42 O ATOM 1191 CB GLU A 526 10.845 -0.488 -6.149 1.00 13.24 C ATOM 1192 CG GLU A 526 12.224 -1.119 -6.297 1.00 65.02 C ATOM 1193 CD GLU A 526 12.170 -2.465 -6.985 1.00 34.31 C ATOM 1194 OE1 GLU A 526 11.807 -2.516 -8.184 1.00 11.43 O ATOM 1195 OE2 GLU A 526 12.443 -3.496 -6.327 1.00 74.32 O ATOM 0 H GLU A 526 11.429 -0.324 -3.800 1.00 3.22 H new ATOM 0 HA GLU A 526 11.521 1.526 -5.914 1.00 60.14 H new ATOM 0 HB2 GLU A 526 10.196 -1.185 -5.620 1.00 13.24 H new ATOM 0 HB3 GLU A 526 10.417 -0.344 -7.141 1.00 13.24 H new ATOM 0 HG2 GLU A 526 12.868 -0.449 -6.866 1.00 65.02 H new ATOM 0 HG3 GLU A 526 12.675 -1.235 -5.312 1.00 65.02 H new ATOM 1202 N VAL A 527 8.606 0.983 -4.523 1.00 31.44 N ATOM 1203 CA VAL A 527 7.244 1.447 -4.410 1.00 60.10 C ATOM 1204 C VAL A 527 7.211 2.832 -3.756 1.00 42.34 C ATOM 1205 O VAL A 527 6.409 3.678 -4.136 1.00 1.23 O ATOM 1206 CB VAL A 527 6.360 0.470 -3.587 1.00 30.10 C ATOM 1207 CG1 VAL A 527 4.890 0.886 -3.642 1.00 41.22 C ATOM 1208 CG2 VAL A 527 6.543 -0.966 -4.058 1.00 10.10 C ATOM 0 H VAL A 527 8.862 0.274 -3.836 1.00 31.44 H new ATOM 0 HA VAL A 527 6.838 1.500 -5.420 1.00 60.10 H new ATOM 0 HB VAL A 527 6.684 0.520 -2.547 1.00 30.10 H new ATOM 0 HG11 VAL A 527 4.292 0.186 -3.058 1.00 41.22 H new ATOM 0 HG12 VAL A 527 4.780 1.889 -3.230 1.00 41.22 H new ATOM 0 HG13 VAL A 527 4.549 0.880 -4.677 1.00 41.22 H new ATOM 0 HG21 VAL A 527 5.912 -1.627 -3.464 1.00 10.10 H new ATOM 0 HG22 VAL A 527 6.262 -1.043 -5.108 1.00 10.10 H new ATOM 0 HG23 VAL A 527 7.587 -1.258 -3.940 1.00 10.10 H new ATOM 1218 N VAL A 528 8.101 3.074 -2.780 1.00 33.22 N ATOM 1219 CA VAL A 528 8.106 4.378 -2.107 1.00 15.33 C ATOM 1220 C VAL A 528 8.493 5.475 -3.081 1.00 54.21 C ATOM 1221 O VAL A 528 7.893 6.515 -3.095 1.00 71.33 O ATOM 1222 CB VAL A 528 8.983 4.468 -0.807 1.00 3.04 C ATOM 1223 CG1 VAL A 528 8.641 3.399 0.205 1.00 3.44 C ATOM 1224 CG2 VAL A 528 10.481 4.534 -1.072 1.00 3.10 C ATOM 0 H VAL A 528 8.801 2.410 -2.450 1.00 33.22 H new ATOM 0 HA VAL A 528 7.081 4.515 -1.762 1.00 15.33 H new ATOM 0 HB VAL A 528 8.718 5.428 -0.365 1.00 3.04 H new ATOM 0 HG11 VAL A 528 9.279 3.511 1.082 1.00 3.44 H new ATOM 0 HG12 VAL A 528 7.597 3.499 0.501 1.00 3.44 H new ATOM 0 HG13 VAL A 528 8.801 2.415 -0.237 1.00 3.44 H new ATOM 0 HG21 VAL A 528 11.016 4.594 -0.124 1.00 3.10 H new ATOM 0 HG22 VAL A 528 10.795 3.639 -1.610 1.00 3.10 H new ATOM 0 HG23 VAL A 528 10.706 5.416 -1.672 1.00 3.10 H new ATOM 1234 N SER A 529 9.474 5.197 -3.914 1.00 43.24 N ATOM 1235 CA SER A 529 9.925 6.123 -4.945 1.00 72.22 C ATOM 1236 C SER A 529 8.778 6.424 -5.919 1.00 42.04 C ATOM 1237 O SER A 529 8.571 7.563 -6.336 1.00 40.33 O ATOM 1238 CB SER A 529 11.121 5.510 -5.677 1.00 63.00 C ATOM 1239 OG SER A 529 11.601 6.349 -6.718 1.00 4.01 O ATOM 0 H SER A 529 9.988 4.316 -3.899 1.00 43.24 H new ATOM 0 HA SER A 529 10.234 7.064 -4.490 1.00 72.22 H new ATOM 0 HB2 SER A 529 11.924 5.323 -4.964 1.00 63.00 H new ATOM 0 HB3 SER A 529 10.834 4.545 -6.094 1.00 63.00 H new ATOM 0 HG SER A 529 12.365 5.920 -7.158 1.00 4.01 H new ATOM 1245 N LEU A 530 8.031 5.395 -6.234 1.00 13.13 N ATOM 1246 CA LEU A 530 6.876 5.462 -7.083 1.00 33.50 C ATOM 1247 C LEU A 530 5.785 6.336 -6.417 1.00 12.41 C ATOM 1248 O LEU A 530 5.086 7.111 -7.082 1.00 42.31 O ATOM 1249 CB LEU A 530 6.445 4.010 -7.302 1.00 22.24 C ATOM 1250 CG LEU A 530 5.142 3.695 -7.995 1.00 31.23 C ATOM 1251 CD1 LEU A 530 5.054 4.308 -9.376 1.00 71.42 C ATOM 1252 CD2 LEU A 530 4.997 2.198 -8.091 1.00 32.03 C ATOM 0 H LEU A 530 8.221 4.453 -5.891 1.00 13.13 H new ATOM 0 HA LEU A 530 7.075 5.934 -8.045 1.00 33.50 H new ATOM 0 HB2 LEU A 530 7.237 3.521 -7.869 1.00 22.24 H new ATOM 0 HB3 LEU A 530 6.412 3.533 -6.323 1.00 22.24 H new ATOM 0 HG LEU A 530 4.334 4.128 -7.406 1.00 31.23 H new ATOM 0 HD11 LEU A 530 4.097 4.050 -9.828 1.00 71.42 H new ATOM 0 HD12 LEU A 530 5.138 5.392 -9.299 1.00 71.42 H new ATOM 0 HD13 LEU A 530 5.864 3.924 -9.997 1.00 71.42 H new ATOM 0 HD21 LEU A 530 4.059 1.955 -8.590 1.00 32.03 H new ATOM 0 HD22 LEU A 530 5.829 1.788 -8.663 1.00 32.03 H new ATOM 0 HD23 LEU A 530 4.998 1.767 -7.090 1.00 32.03 H new ATOM 1264 N LEU A 531 5.691 6.232 -5.099 1.00 71.31 N ATOM 1265 CA LEU A 531 4.774 7.026 -4.302 1.00 31.44 C ATOM 1266 C LEU A 531 5.262 8.496 -4.271 1.00 21.21 C ATOM 1267 O LEU A 531 4.485 9.435 -4.444 1.00 23.14 O ATOM 1268 CB LEU A 531 4.743 6.473 -2.865 1.00 64.14 C ATOM 1269 CG LEU A 531 3.706 7.079 -1.934 1.00 73.33 C ATOM 1270 CD1 LEU A 531 2.315 6.623 -2.321 1.00 41.32 C ATOM 1271 CD2 LEU A 531 4.003 6.756 -0.482 1.00 23.14 C ATOM 0 H LEU A 531 6.257 5.586 -4.549 1.00 71.31 H new ATOM 0 HA LEU A 531 3.776 6.980 -4.737 1.00 31.44 H new ATOM 0 HB2 LEU A 531 4.571 5.398 -2.916 1.00 64.14 H new ATOM 0 HB3 LEU A 531 5.728 6.618 -2.421 1.00 64.14 H new ATOM 0 HG LEU A 531 3.754 8.163 -2.040 1.00 73.33 H new ATOM 0 HD11 LEU A 531 1.585 7.067 -1.644 1.00 41.32 H new ATOM 0 HD12 LEU A 531 2.100 6.937 -3.342 1.00 41.32 H new ATOM 0 HD13 LEU A 531 2.257 5.536 -2.256 1.00 41.32 H new ATOM 0 HD21 LEU A 531 3.241 7.206 0.154 1.00 23.14 H new ATOM 0 HD22 LEU A 531 4.001 5.675 -0.342 1.00 23.14 H new ATOM 0 HD23 LEU A 531 4.981 7.155 -0.213 1.00 23.14 H new ATOM 1283 N ARG A 532 6.562 8.665 -4.047 1.00 3.52 N ATOM 1284 CA ARG A 532 7.229 9.984 -3.980 1.00 54.45 C ATOM 1285 C ARG A 532 7.060 10.743 -5.284 1.00 34.13 C ATOM 1286 O ARG A 532 6.849 11.953 -5.289 1.00 51.52 O ATOM 1287 CB ARG A 532 8.726 9.789 -3.706 1.00 24.30 C ATOM 1288 CG ARG A 532 9.063 9.107 -2.381 1.00 54.42 C ATOM 1289 CD ARG A 532 8.920 10.016 -1.170 1.00 33.43 C ATOM 1290 NE ARG A 532 7.596 10.642 -1.016 1.00 15.02 N ATOM 1291 CZ ARG A 532 7.405 11.855 -0.465 1.00 71.44 C ATOM 1292 NH1 ARG A 532 8.451 12.581 -0.076 1.00 51.13 N ATOM 1293 NH2 ARG A 532 6.179 12.346 -0.332 1.00 54.13 N ATOM 0 H ARG A 532 7.202 7.884 -3.903 1.00 3.52 H new ATOM 0 HA ARG A 532 6.770 10.559 -3.176 1.00 54.45 H new ATOM 0 HB2 ARG A 532 9.154 9.201 -4.518 1.00 24.30 H new ATOM 0 HB3 ARG A 532 9.213 10.764 -3.728 1.00 24.30 H new ATOM 0 HG2 ARG A 532 8.413 8.241 -2.253 1.00 54.42 H new ATOM 0 HG3 ARG A 532 10.086 8.734 -2.425 1.00 54.42 H new ATOM 0 HD2 ARG A 532 9.139 9.438 -0.272 1.00 33.43 H new ATOM 0 HD3 ARG A 532 9.672 10.802 -1.234 1.00 33.43 H new ATOM 0 HE ARG A 532 6.779 10.128 -1.345 1.00 15.02 H new ATOM 0 HH11 ARG A 532 9.397 12.218 -0.196 1.00 51.13 H new ATOM 0 HH12 ARG A 532 8.307 13.500 0.342 1.00 51.13 H new ATOM 0 HH21 ARG A 532 5.375 11.803 -0.648 1.00 54.13 H new ATOM 0 HH22 ARG A 532 6.041 13.266 0.086 1.00 54.13 H new ATOM 1307 N SER A 533 7.161 10.016 -6.378 1.00 61.12 N ATOM 1308 CA SER A 533 7.015 10.574 -7.699 1.00 14.12 C ATOM 1309 C SER A 533 5.578 11.095 -7.893 1.00 71.31 C ATOM 1310 O SER A 533 5.369 12.186 -8.445 1.00 55.21 O ATOM 1311 CB SER A 533 7.368 9.491 -8.737 1.00 0.32 C ATOM 1312 OG SER A 533 7.363 9.985 -10.061 1.00 23.45 O ATOM 0 H SER A 533 7.348 9.013 -6.371 1.00 61.12 H new ATOM 0 HA SER A 533 7.692 11.418 -7.830 1.00 14.12 H new ATOM 0 HB2 SER A 533 8.352 9.082 -8.509 1.00 0.32 H new ATOM 0 HB3 SER A 533 6.655 8.670 -8.657 1.00 0.32 H new ATOM 0 HG SER A 533 7.594 9.262 -10.681 1.00 23.45 H new ATOM 1318 N THR A 534 4.601 10.315 -7.405 1.00 3.12 N ATOM 1319 CA THR A 534 3.184 10.652 -7.490 1.00 33.51 C ATOM 1320 C THR A 534 2.716 10.709 -8.954 1.00 22.22 C ATOM 1321 O THR A 534 2.352 9.675 -9.534 1.00 22.13 O ATOM 1322 CB THR A 534 2.846 11.992 -6.731 1.00 1.41 C ATOM 1323 OG1 THR A 534 3.232 11.869 -5.354 1.00 11.24 O ATOM 1324 CG2 THR A 534 1.345 12.350 -6.806 1.00 32.10 C ATOM 0 H THR A 534 4.781 9.426 -6.938 1.00 3.12 H new ATOM 0 HA THR A 534 2.634 9.855 -6.989 1.00 33.51 H new ATOM 0 HB THR A 534 3.401 12.793 -7.219 1.00 1.41 H new ATOM 0 HG1 THR A 534 3.639 10.990 -5.206 1.00 11.24 H new ATOM 0 HG21 THR A 534 1.166 13.281 -6.268 1.00 32.10 H new ATOM 0 HG22 THR A 534 1.052 12.471 -7.849 1.00 32.10 H new ATOM 0 HG23 THR A 534 0.757 11.551 -6.354 1.00 32.10 H new ATOM 1332 N LYS A 535 2.802 11.900 -9.534 1.00 44.42 N ATOM 1333 CA LYS A 535 2.401 12.224 -10.882 1.00 44.02 C ATOM 1334 C LYS A 535 2.389 13.733 -10.955 1.00 43.43 C ATOM 1335 O LYS A 535 2.086 14.398 -9.941 1.00 45.44 O ATOM 1336 CB LYS A 535 1.005 11.641 -11.211 1.00 55.13 C ATOM 1337 CG LYS A 535 0.528 11.876 -12.639 1.00 43.31 C ATOM 1338 CD LYS A 535 -0.717 11.056 -12.963 1.00 71.33 C ATOM 1339 CE LYS A 535 -0.414 9.556 -12.943 1.00 64.13 C ATOM 1340 NZ LYS A 535 -1.607 8.730 -13.239 1.00 34.02 N ATOM 0 H LYS A 535 3.177 12.709 -9.039 1.00 44.42 H new ATOM 0 HA LYS A 535 3.086 11.793 -11.612 1.00 44.02 H new ATOM 0 HB2 LYS A 535 1.023 10.568 -11.022 1.00 55.13 H new ATOM 0 HB3 LYS A 535 0.277 12.073 -10.525 1.00 55.13 H new ATOM 0 HG2 LYS A 535 0.313 12.935 -12.781 1.00 43.31 H new ATOM 0 HG3 LYS A 535 1.325 11.617 -13.336 1.00 43.31 H new ATOM 0 HD2 LYS A 535 -1.502 11.281 -12.240 1.00 71.33 H new ATOM 0 HD3 LYS A 535 -1.097 11.340 -13.944 1.00 71.33 H new ATOM 0 HE2 LYS A 535 0.365 9.337 -13.673 1.00 64.13 H new ATOM 0 HE3 LYS A 535 -0.020 9.282 -11.964 1.00 64.13 H new ATOM 0 HZ1 LYS A 535 -1.318 7.741 -13.380 1.00 34.02 H new ATOM 0 HZ2 LYS A 535 -2.274 8.786 -12.443 1.00 34.02 H new ATOM 0 HZ3 LYS A 535 -2.068 9.083 -14.102 1.00 34.02 H new ATOM 1354 N MET A 536 2.733 14.287 -12.092 1.00 70.44 N ATOM 1355 CA MET A 536 2.828 15.732 -12.222 1.00 33.30 C ATOM 1356 C MET A 536 1.475 16.392 -12.082 1.00 21.15 C ATOM 1357 O MET A 536 1.347 17.430 -11.420 1.00 24.51 O ATOM 1358 CB MET A 536 3.526 16.145 -13.516 1.00 31.44 C ATOM 1359 CG MET A 536 4.961 15.662 -13.611 1.00 42.12 C ATOM 1360 SD MET A 536 5.755 16.143 -15.151 1.00 14.51 S ATOM 1361 CE MET A 536 7.382 15.431 -14.910 1.00 73.24 C ATOM 0 H MET A 536 2.952 13.767 -12.942 1.00 70.44 H new ATOM 0 HA MET A 536 3.450 16.086 -11.400 1.00 33.30 H new ATOM 0 HB2 MET A 536 2.963 15.755 -14.364 1.00 31.44 H new ATOM 0 HB3 MET A 536 3.511 17.232 -13.597 1.00 31.44 H new ATOM 0 HG2 MET A 536 5.531 16.062 -12.773 1.00 42.12 H new ATOM 0 HG3 MET A 536 4.981 14.576 -13.520 1.00 42.12 H new ATOM 0 HE1 MET A 536 8.003 15.640 -15.781 1.00 73.24 H new ATOM 0 HE2 MET A 536 7.842 15.866 -14.023 1.00 73.24 H new ATOM 0 HE3 MET A 536 7.292 14.353 -14.780 1.00 73.24 H new ATOM 1371 N GLU A 537 0.464 15.785 -12.671 1.00 62.14 N ATOM 1372 CA GLU A 537 -0.884 16.295 -12.553 1.00 43.13 C ATOM 1373 C GLU A 537 -1.442 16.107 -11.151 1.00 41.21 C ATOM 1374 O GLU A 537 -1.417 17.048 -10.365 1.00 53.51 O ATOM 1375 CB GLU A 537 -1.820 15.785 -13.654 1.00 73.12 C ATOM 1376 CG GLU A 537 -1.619 16.458 -15.017 1.00 53.13 C ATOM 1377 CD GLU A 537 -0.209 16.366 -15.539 1.00 3.20 C ATOM 1378 OE1 GLU A 537 0.140 15.345 -16.152 1.00 3.04 O ATOM 1379 OE2 GLU A 537 0.571 17.315 -15.333 1.00 11.33 O ATOM 0 H GLU A 537 0.552 14.940 -13.235 1.00 62.14 H new ATOM 0 HA GLU A 537 -0.823 17.371 -12.715 1.00 43.13 H new ATOM 0 HB2 GLU A 537 -1.676 14.711 -13.768 1.00 73.12 H new ATOM 0 HB3 GLU A 537 -2.852 15.936 -13.336 1.00 73.12 H new ATOM 0 HG2 GLU A 537 -2.295 16.001 -15.740 1.00 53.13 H new ATOM 0 HG3 GLU A 537 -1.899 17.508 -14.938 1.00 53.13 H new ATOM 1386 N GLY A 538 -1.916 14.921 -10.797 1.00 11.01 N ATOM 1387 CA GLY A 538 -2.399 14.794 -9.436 1.00 55.04 C ATOM 1388 C GLY A 538 -2.967 13.452 -9.044 1.00 43.41 C ATOM 1389 O GLY A 538 -2.927 13.103 -7.878 1.00 52.34 O ATOM 0 H GLY A 538 -1.975 14.090 -11.386 1.00 11.01 H new ATOM 0 HA2 GLY A 538 -1.577 15.027 -8.759 1.00 55.04 H new ATOM 0 HA3 GLY A 538 -3.168 15.550 -9.275 1.00 55.04 H new ATOM 1393 N THR A 539 -3.464 12.698 -9.977 1.00 13.25 N ATOM 1394 CA THR A 539 -4.131 11.452 -9.637 1.00 65.53 C ATOM 1395 C THR A 539 -3.257 10.228 -9.696 1.00 74.55 C ATOM 1396 O THR A 539 -2.686 9.879 -10.733 1.00 2.22 O ATOM 1397 CB THR A 539 -5.442 11.231 -10.410 1.00 1.30 C ATOM 1398 OG1 THR A 539 -5.338 11.741 -11.752 1.00 14.45 O ATOM 1399 CG2 THR A 539 -6.626 11.832 -9.683 1.00 32.22 C ATOM 0 H THR A 539 -3.428 12.910 -10.974 1.00 13.25 H new ATOM 0 HA THR A 539 -4.385 11.587 -8.586 1.00 65.53 H new ATOM 0 HB THR A 539 -5.613 10.156 -10.471 1.00 1.30 H new ATOM 0 HG1 THR A 539 -6.182 11.589 -12.226 1.00 14.45 H new ATOM 0 HG21 THR A 539 -7.534 11.656 -10.259 1.00 32.22 H new ATOM 0 HG22 THR A 539 -6.724 11.369 -8.701 1.00 32.22 H new ATOM 0 HG23 THR A 539 -6.474 12.905 -9.564 1.00 32.22 H new ATOM 1407 N VAL A 540 -3.160 9.589 -8.573 1.00 31.32 N ATOM 1408 CA VAL A 540 -2.421 8.389 -8.415 1.00 63.42 C ATOM 1409 C VAL A 540 -3.382 7.253 -8.253 1.00 53.52 C ATOM 1410 O VAL A 540 -4.335 7.357 -7.483 1.00 72.55 O ATOM 1411 CB VAL A 540 -1.531 8.505 -7.175 1.00 3.34 C ATOM 1412 CG1 VAL A 540 -0.780 7.232 -6.894 1.00 71.03 C ATOM 1413 CG2 VAL A 540 -0.579 9.640 -7.356 1.00 2.23 C ATOM 0 H VAL A 540 -3.611 9.905 -7.714 1.00 31.32 H new ATOM 0 HA VAL A 540 -1.792 8.213 -9.288 1.00 63.42 H new ATOM 0 HB VAL A 540 -2.173 8.692 -6.314 1.00 3.34 H new ATOM 0 HG11 VAL A 540 -0.162 7.363 -6.005 1.00 71.03 H new ATOM 0 HG12 VAL A 540 -1.489 6.421 -6.727 1.00 71.03 H new ATOM 0 HG13 VAL A 540 -0.144 6.989 -7.745 1.00 71.03 H new ATOM 0 HG21 VAL A 540 0.057 9.726 -6.475 1.00 2.23 H new ATOM 0 HG22 VAL A 540 0.041 9.459 -8.234 1.00 2.23 H new ATOM 0 HG23 VAL A 540 -1.138 10.566 -7.492 1.00 2.23 H new ATOM 1423 N SER A 541 -3.164 6.201 -8.984 1.00 64.15 N ATOM 1424 CA SER A 541 -4.007 5.063 -8.904 1.00 41.12 C ATOM 1425 C SER A 541 -3.437 4.020 -7.945 1.00 14.51 C ATOM 1426 O SER A 541 -2.373 3.468 -8.170 1.00 0.30 O ATOM 1427 CB SER A 541 -4.236 4.501 -10.304 1.00 23.21 C ATOM 1428 OG SER A 541 -3.004 4.310 -10.976 1.00 4.02 O ATOM 0 H SER A 541 -2.396 6.115 -9.649 1.00 64.15 H new ATOM 0 HA SER A 541 -4.973 5.357 -8.495 1.00 41.12 H new ATOM 0 HB2 SER A 541 -4.770 3.553 -10.238 1.00 23.21 H new ATOM 0 HB3 SER A 541 -4.866 5.182 -10.876 1.00 23.21 H new ATOM 0 HG SER A 541 -3.172 3.948 -11.871 1.00 4.02 H new ATOM 1434 N LEU A 542 -4.142 3.799 -6.877 1.00 31.40 N ATOM 1435 CA LEU A 542 -3.797 2.832 -5.874 1.00 13.32 C ATOM 1436 C LEU A 542 -4.685 1.642 -6.049 1.00 2.30 C ATOM 1437 O LEU A 542 -5.890 1.768 -6.026 1.00 30.33 O ATOM 1438 CB LEU A 542 -4.008 3.399 -4.441 1.00 53.14 C ATOM 1439 CG LEU A 542 -3.100 4.555 -3.982 1.00 41.33 C ATOM 1440 CD1 LEU A 542 -1.646 4.157 -4.078 1.00 45.22 C ATOM 1441 CD2 LEU A 542 -3.362 5.835 -4.753 1.00 35.43 C ATOM 0 H LEU A 542 -5.004 4.304 -6.671 1.00 31.40 H new ATOM 0 HA LEU A 542 -2.745 2.569 -5.988 1.00 13.32 H new ATOM 0 HB2 LEU A 542 -5.042 3.735 -4.363 1.00 53.14 H new ATOM 0 HB3 LEU A 542 -3.886 2.577 -3.735 1.00 53.14 H new ATOM 0 HG LEU A 542 -3.340 4.759 -2.939 1.00 41.33 H new ATOM 0 HD11 LEU A 542 -1.019 4.986 -3.750 1.00 45.22 H new ATOM 0 HD12 LEU A 542 -1.463 3.290 -3.443 1.00 45.22 H new ATOM 0 HD13 LEU A 542 -1.405 3.907 -5.111 1.00 45.22 H new ATOM 0 HD21 LEU A 542 -2.697 6.620 -4.392 1.00 35.43 H new ATOM 0 HD22 LEU A 542 -3.180 5.664 -5.814 1.00 35.43 H new ATOM 0 HD23 LEU A 542 -4.398 6.142 -4.607 1.00 35.43 H new ATOM 1453 N LEU A 543 -4.115 0.518 -6.232 1.00 62.41 N ATOM 1454 CA LEU A 543 -4.877 -0.678 -6.367 1.00 4.30 C ATOM 1455 C LEU A 543 -4.752 -1.410 -5.065 1.00 33.42 C ATOM 1456 O LEU A 543 -3.644 -1.775 -4.658 1.00 63.42 O ATOM 1457 CB LEU A 543 -4.312 -1.534 -7.502 1.00 4.14 C ATOM 1458 CG LEU A 543 -5.077 -2.810 -7.854 1.00 52.40 C ATOM 1459 CD1 LEU A 543 -6.442 -2.492 -8.419 1.00 31.41 C ATOM 1460 CD2 LEU A 543 -4.286 -3.650 -8.820 1.00 33.15 C ATOM 0 H LEU A 543 -3.105 0.389 -6.294 1.00 62.41 H new ATOM 0 HA LEU A 543 -5.919 -0.458 -6.601 1.00 4.30 H new ATOM 0 HB2 LEU A 543 -4.255 -0.915 -8.397 1.00 4.14 H new ATOM 0 HB3 LEU A 543 -3.291 -1.812 -7.241 1.00 4.14 H new ATOM 0 HG LEU A 543 -5.221 -3.379 -6.936 1.00 52.40 H new ATOM 0 HD11 LEU A 543 -6.961 -3.420 -8.659 1.00 31.41 H new ATOM 0 HD12 LEU A 543 -7.019 -1.933 -7.683 1.00 31.41 H new ATOM 0 HD13 LEU A 543 -6.331 -1.893 -9.323 1.00 31.41 H new ATOM 0 HD21 LEU A 543 -4.846 -4.554 -9.059 1.00 33.15 H new ATOM 0 HD22 LEU A 543 -4.106 -3.082 -9.733 1.00 33.15 H new ATOM 0 HD23 LEU A 543 -3.332 -3.923 -8.368 1.00 33.15 H new ATOM 1472 N VAL A 544 -5.856 -1.604 -4.395 1.00 3.14 N ATOM 1473 CA VAL A 544 -5.826 -2.215 -3.102 1.00 3.35 C ATOM 1474 C VAL A 544 -6.562 -3.510 -3.112 1.00 60.23 C ATOM 1475 O VAL A 544 -7.360 -3.769 -4.010 1.00 1.04 O ATOM 1476 CB VAL A 544 -6.396 -1.296 -1.992 1.00 71.22 C ATOM 1477 CG1 VAL A 544 -5.547 -0.044 -1.844 1.00 23.12 C ATOM 1478 CG2 VAL A 544 -7.850 -0.926 -2.269 1.00 53.52 C ATOM 0 H VAL A 544 -6.786 -1.346 -4.727 1.00 3.14 H new ATOM 0 HA VAL A 544 -4.776 -2.394 -2.871 1.00 3.35 H new ATOM 0 HB VAL A 544 -6.365 -1.850 -1.054 1.00 71.22 H new ATOM 0 HG11 VAL A 544 -5.964 0.588 -1.060 1.00 23.12 H new ATOM 0 HG12 VAL A 544 -4.527 -0.325 -1.580 1.00 23.12 H new ATOM 0 HG13 VAL A 544 -5.540 0.504 -2.786 1.00 23.12 H new ATOM 0 HG21 VAL A 544 -8.220 -0.281 -1.472 1.00 53.52 H new ATOM 0 HG22 VAL A 544 -7.917 -0.400 -3.221 1.00 53.52 H new ATOM 0 HG23 VAL A 544 -8.454 -1.832 -2.312 1.00 53.52 H new ATOM 1488 N PHE A 545 -6.296 -4.317 -2.145 1.00 13.40 N ATOM 1489 CA PHE A 545 -6.957 -5.570 -2.022 1.00 1.04 C ATOM 1490 C PHE A 545 -7.853 -5.548 -0.829 1.00 71.12 C ATOM 1491 O PHE A 545 -7.407 -5.368 0.304 1.00 71.30 O ATOM 1492 CB PHE A 545 -5.959 -6.723 -1.931 1.00 41.34 C ATOM 1493 CG PHE A 545 -6.595 -8.084 -1.774 1.00 73.42 C ATOM 1494 CD1 PHE A 545 -7.140 -8.736 -2.867 1.00 51.02 C ATOM 1495 CD2 PHE A 545 -6.652 -8.704 -0.532 1.00 64.24 C ATOM 1496 CE1 PHE A 545 -7.728 -9.977 -2.727 1.00 35.44 C ATOM 1497 CE2 PHE A 545 -7.241 -9.944 -0.388 1.00 54.01 C ATOM 1498 CZ PHE A 545 -7.779 -10.580 -1.486 1.00 21.34 C ATOM 0 H PHE A 545 -5.611 -4.126 -1.414 1.00 13.40 H new ATOM 0 HA PHE A 545 -7.557 -5.734 -2.917 1.00 1.04 H new ATOM 0 HB2 PHE A 545 -5.341 -6.725 -2.829 1.00 41.34 H new ATOM 0 HB3 PHE A 545 -5.293 -6.546 -1.086 1.00 41.34 H new ATOM 0 HD1 PHE A 545 -7.105 -8.268 -3.840 1.00 51.02 H new ATOM 0 HD2 PHE A 545 -6.231 -8.210 0.331 1.00 64.24 H new ATOM 0 HE1 PHE A 545 -8.148 -10.476 -3.588 1.00 35.44 H new ATOM 0 HE2 PHE A 545 -7.280 -10.415 0.583 1.00 54.01 H new ATOM 0 HZ PHE A 545 -8.241 -11.550 -1.376 1.00 21.34 H new ATOM 1508 N ARG A 546 -9.102 -5.696 -1.100 1.00 33.51 N ATOM 1509 CA ARG A 546 -10.117 -5.755 -0.105 1.00 14.32 C ATOM 1510 C ARG A 546 -10.555 -7.177 0.000 1.00 4.43 C ATOM 1511 O ARG A 546 -10.702 -7.849 -1.021 1.00 21.54 O ATOM 1512 CB ARG A 546 -11.309 -4.920 -0.538 1.00 4.34 C ATOM 1513 CG ARG A 546 -11.057 -3.458 -0.678 1.00 53.52 C ATOM 1514 CD ARG A 546 -10.732 -2.864 0.639 1.00 60.44 C ATOM 1515 NE ARG A 546 -11.812 -3.084 1.613 1.00 30.53 N ATOM 1516 CZ ARG A 546 -11.893 -2.522 2.813 1.00 42.32 C ATOM 1517 NH1 ARG A 546 -10.947 -1.692 3.233 1.00 4.32 N ATOM 1518 NH2 ARG A 546 -12.903 -2.816 3.601 1.00 51.24 N ATOM 0 H ARG A 546 -9.458 -5.782 -2.052 1.00 33.51 H new ATOM 0 HA ARG A 546 -9.738 -5.379 0.845 1.00 14.32 H new ATOM 0 HB2 ARG A 546 -11.668 -5.301 -1.494 1.00 4.34 H new ATOM 0 HB3 ARG A 546 -12.112 -5.064 0.185 1.00 4.34 H new ATOM 0 HG2 ARG A 546 -10.235 -3.289 -1.374 1.00 53.52 H new ATOM 0 HG3 ARG A 546 -11.936 -2.969 -1.098 1.00 53.52 H new ATOM 0 HD2 ARG A 546 -9.807 -3.299 1.017 1.00 60.44 H new ATOM 0 HD3 ARG A 546 -10.558 -1.794 0.523 1.00 60.44 H new ATOM 0 HE ARG A 546 -12.561 -3.722 1.344 1.00 30.53 H new ATOM 0 HH11 ARG A 546 -10.150 -1.481 2.632 1.00 4.32 H new ATOM 0 HH12 ARG A 546 -11.017 -1.264 4.156 1.00 4.32 H new ATOM 0 HH21 ARG A 546 -13.619 -3.473 3.289 1.00 51.24 H new ATOM 0 HH22 ARG A 546 -12.971 -2.388 4.524 1.00 51.24 H new