USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=20 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 463 GLN :FLIP amide:sc= 0.126 F(o=-0.62,f=0.25) USER MOD Set 1.2: A 541 SER OG : rot 180:sc= 0.12 USER MOD Set 2.1: A 468 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 501 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.2) USER MOD Set 3.1: A 476 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 491 LYS NZ :NH3+ 162:sc= -0.0611 (180deg=-0.405) USER MOD Single : A 458 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00933) USER MOD Single : A 461 ASN : amide:sc=-0.00377 X(o=-0.0038,f=-0.029) USER MOD Single : A 465 LYS NZ :NH3+ -175:sc= 1.3 (180deg=1.2) USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 474 SER OG : rot 180:sc= -0.0386 USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 489 TYR OH : rot 180:sc= 0.609 USER MOD Single : A 492 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.5) USER MOD Single : A 506 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0174) USER MOD Single : A 515 ASN :FLIP amide:sc= -2.14! C(o=-3.3!,f=-2.1!) USER MOD Single : A 522 LYS NZ :NH3+ -137:sc= -0.353 (180deg=-2.97!) USER MOD Single : A 523 SER OG : rot 180:sc= 0 USER MOD Single : A 524 GLN : amide:sc= -5.34! C(o=-5.3!,f=-8.3!) USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 533 SER OG : rot 77:sc= 0.181 USER MOD Single : A 534 THR OG1 : rot -10:sc= 0.164 USER MOD Single : A 535 LYS NZ :NH3+ -149:sc= 1.23 (180deg=1.15) USER MOD Single : A 536 MET CE :methyl 163:sc= -0.0833 (180deg=-0.624) USER MOD Single : A 539 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 458 -11.288 -8.431 -1.990 1.00 4.23 N ATOM 139 CA LYS A 458 -11.647 -7.551 -3.064 1.00 30.12 C ATOM 140 C LYS A 458 -10.538 -6.623 -3.418 1.00 73.11 C ATOM 141 O LYS A 458 -9.909 -6.039 -2.552 1.00 45.34 O ATOM 142 CB LYS A 458 -12.927 -6.765 -2.772 1.00 24.22 C ATOM 143 CG LYS A 458 -14.206 -7.491 -3.139 1.00 31.40 C ATOM 144 CD LYS A 458 -14.250 -7.774 -4.651 1.00 0.22 C ATOM 145 CE LYS A 458 -14.133 -6.483 -5.489 1.00 20.33 C ATOM 146 NZ LYS A 458 -15.269 -5.559 -5.255 1.00 32.21 N ATOM 0 HA LYS A 458 -11.841 -8.192 -3.924 1.00 30.12 H new ATOM 0 HB2 LYS A 458 -12.954 -6.521 -1.710 1.00 24.22 H new ATOM 0 HB3 LYS A 458 -12.891 -5.821 -3.316 1.00 24.22 H new ATOM 0 HG2 LYS A 458 -14.271 -8.428 -2.586 1.00 31.40 H new ATOM 0 HG3 LYS A 458 -15.068 -6.890 -2.850 1.00 31.40 H new ATOM 0 HD2 LYS A 458 -13.439 -8.452 -4.916 1.00 0.22 H new ATOM 0 HD3 LYS A 458 -15.183 -8.282 -4.897 1.00 0.22 H new ATOM 0 HE2 LYS A 458 -13.199 -5.977 -5.245 1.00 20.33 H new ATOM 0 HE3 LYS A 458 -14.089 -6.741 -6.547 1.00 20.33 H new ATOM 0 HZ1 LYS A 458 -15.175 -4.730 -5.875 1.00 32.21 H new ATOM 0 HZ2 LYS A 458 -16.163 -6.048 -5.463 1.00 32.21 H new ATOM 0 HZ3 LYS A 458 -15.267 -5.251 -4.262 1.00 32.21 H new ATOM 160 N ARG A 459 -10.290 -6.502 -4.687 1.00 15.35 N ATOM 161 CA ARG A 459 -9.310 -5.580 -5.170 1.00 25.42 C ATOM 162 C ARG A 459 -10.030 -4.390 -5.769 1.00 52.33 C ATOM 163 O ARG A 459 -11.016 -4.553 -6.494 1.00 23.33 O ATOM 164 CB ARG A 459 -8.367 -6.244 -6.170 1.00 15.33 C ATOM 165 CG ARG A 459 -7.667 -7.468 -5.598 1.00 32.32 C ATOM 166 CD ARG A 459 -6.661 -8.043 -6.562 1.00 43.11 C ATOM 167 NE ARG A 459 -6.124 -9.337 -6.102 1.00 62.44 N ATOM 168 CZ ARG A 459 -5.088 -9.976 -6.653 1.00 41.31 C ATOM 169 NH1 ARG A 459 -4.420 -9.416 -7.654 1.00 72.53 N ATOM 170 NH2 ARG A 459 -4.734 -11.177 -6.206 1.00 31.54 N ATOM 0 H ARG A 459 -10.761 -7.039 -5.415 1.00 15.35 H new ATOM 0 HA ARG A 459 -8.682 -5.240 -4.346 1.00 25.42 H new ATOM 0 HB2 ARG A 459 -8.931 -6.535 -7.056 1.00 15.33 H new ATOM 0 HB3 ARG A 459 -7.618 -5.520 -6.492 1.00 15.33 H new ATOM 0 HG2 ARG A 459 -7.166 -7.198 -4.669 1.00 32.32 H new ATOM 0 HG3 ARG A 459 -8.409 -8.228 -5.351 1.00 32.32 H new ATOM 0 HD2 ARG A 459 -7.129 -8.172 -7.538 1.00 43.11 H new ATOM 0 HD3 ARG A 459 -5.841 -7.337 -6.692 1.00 43.11 H new ATOM 0 HE ARG A 459 -6.578 -9.778 -5.302 1.00 62.44 H new ATOM 0 HH11 ARG A 459 -4.698 -8.498 -8.002 1.00 72.53 H new ATOM 0 HH12 ARG A 459 -3.629 -9.903 -8.075 1.00 72.53 H new ATOM 0 HH21 ARG A 459 -5.253 -11.610 -5.443 1.00 31.54 H new ATOM 0 HH22 ARG A 459 -3.943 -11.665 -6.627 1.00 31.54 H new ATOM 184 N LEU A 460 -9.569 -3.213 -5.458 1.00 0.22 N ATOM 185 CA LEU A 460 -10.261 -1.983 -5.835 1.00 74.42 C ATOM 186 C LEU A 460 -9.324 -1.015 -6.447 1.00 54.31 C ATOM 187 O LEU A 460 -8.179 -0.894 -6.020 1.00 24.25 O ATOM 188 CB LEU A 460 -10.954 -1.255 -4.634 1.00 2.42 C ATOM 189 CG LEU A 460 -12.174 -1.900 -3.951 1.00 55.33 C ATOM 190 CD1 LEU A 460 -11.811 -3.179 -3.257 1.00 64.33 C ATOM 191 CD2 LEU A 460 -12.810 -0.923 -2.978 1.00 20.13 C ATOM 0 H LEU A 460 -8.705 -3.063 -4.937 1.00 0.22 H new ATOM 0 HA LEU A 460 -11.028 -2.303 -6.541 1.00 74.42 H new ATOM 0 HB2 LEU A 460 -10.196 -1.099 -3.866 1.00 2.42 H new ATOM 0 HB3 LEU A 460 -11.260 -0.269 -4.984 1.00 2.42 H new ATOM 0 HG LEU A 460 -12.898 -2.146 -4.727 1.00 55.33 H new ATOM 0 HD11 LEU A 460 -12.699 -3.603 -2.788 1.00 64.33 H new ATOM 0 HD12 LEU A 460 -11.412 -3.887 -3.984 1.00 64.33 H new ATOM 0 HD13 LEU A 460 -11.058 -2.978 -2.495 1.00 64.33 H new ATOM 0 HD21 LEU A 460 -13.671 -1.392 -2.502 1.00 20.13 H new ATOM 0 HD22 LEU A 460 -12.083 -0.643 -2.216 1.00 20.13 H new ATOM 0 HD23 LEU A 460 -13.133 -0.032 -3.516 1.00 20.13 H new ATOM 203 N ASN A 461 -9.803 -0.332 -7.432 1.00 60.41 N ATOM 204 CA ASN A 461 -9.050 0.737 -8.049 1.00 73.01 C ATOM 205 C ASN A 461 -9.514 2.060 -7.464 1.00 61.24 C ATOM 206 O ASN A 461 -10.678 2.444 -7.585 1.00 51.24 O ATOM 207 CB ASN A 461 -9.118 0.722 -9.605 1.00 21.00 C ATOM 208 CG ASN A 461 -10.525 0.777 -10.179 1.00 70.11 C ATOM 209 OD1 ASN A 461 -11.084 1.849 -10.395 1.00 4.11 O ATOM 210 ND2 ASN A 461 -11.094 -0.368 -10.454 1.00 34.21 N ATOM 0 H ASN A 461 -10.724 -0.489 -7.840 1.00 60.41 H new ATOM 0 HA ASN A 461 -7.994 0.589 -7.822 1.00 73.01 H new ATOM 0 HB2 ASN A 461 -8.550 1.570 -9.988 1.00 21.00 H new ATOM 0 HB3 ASN A 461 -8.627 -0.181 -9.968 1.00 21.00 H new ATOM 0 HD21 ASN A 461 -12.029 -0.388 -10.860 1.00 34.21 H new ATOM 0 HD22 ASN A 461 -10.602 -1.241 -10.262 1.00 34.21 H new ATOM 217 N ILE A 462 -8.614 2.712 -6.793 1.00 41.12 N ATOM 218 CA ILE A 462 -8.878 3.933 -6.076 1.00 3.14 C ATOM 219 C ILE A 462 -7.946 5.034 -6.557 1.00 32.43 C ATOM 220 O ILE A 462 -6.751 4.875 -6.526 1.00 55.33 O ATOM 221 CB ILE A 462 -8.621 3.699 -4.556 1.00 63.12 C ATOM 222 CG1 ILE A 462 -9.592 2.664 -3.972 1.00 14.55 C ATOM 223 CG2 ILE A 462 -8.667 4.992 -3.773 1.00 23.13 C ATOM 224 CD1 ILE A 462 -9.362 2.375 -2.499 1.00 4.41 C ATOM 0 H ILE A 462 -7.644 2.404 -6.724 1.00 41.12 H new ATOM 0 HA ILE A 462 -9.913 4.228 -6.249 1.00 3.14 H new ATOM 0 HB ILE A 462 -7.612 3.296 -4.463 1.00 63.12 H new ATOM 0 HG12 ILE A 462 -10.613 3.019 -4.108 1.00 14.55 H new ATOM 0 HG13 ILE A 462 -9.500 1.735 -4.534 1.00 14.55 H new ATOM 0 HG21 ILE A 462 -8.483 4.786 -2.719 1.00 23.13 H new ATOM 0 HG22 ILE A 462 -7.902 5.672 -4.148 1.00 23.13 H new ATOM 0 HG23 ILE A 462 -9.649 5.452 -3.887 1.00 23.13 H new ATOM 0 HD11 ILE A 462 -10.085 1.635 -2.156 1.00 4.41 H new ATOM 0 HD12 ILE A 462 -8.353 1.989 -2.357 1.00 4.41 H new ATOM 0 HD13 ILE A 462 -9.483 3.294 -1.925 1.00 4.41 H new ATOM 236 N GLN A 463 -8.480 6.125 -7.010 1.00 54.42 N ATOM 237 CA GLN A 463 -7.636 7.235 -7.389 1.00 61.22 C ATOM 238 C GLN A 463 -7.577 8.309 -6.325 1.00 30.15 C ATOM 239 O GLN A 463 -8.588 8.631 -5.689 1.00 43.22 O ATOM 240 CB GLN A 463 -7.996 7.822 -8.743 1.00 74.43 C ATOM 241 CG GLN A 463 -7.582 6.965 -9.921 1.00 10.41 C ATOM 242 CD GLN A 463 -7.839 7.623 -11.259 1.00 4.43 C ATOM 243 OE1 GLN A 463 -8.847 8.453 -11.341 1.00 4.45 O flip ATOM 244 NE2 GLN A 463 -7.121 7.379 -12.222 1.00 34.42 N flip ATOM 0 H GLN A 463 -9.481 6.279 -7.129 1.00 54.42 H new ATOM 0 HA GLN A 463 -6.635 6.815 -7.484 1.00 61.22 H new ATOM 0 HB2 GLN A 463 -9.074 7.979 -8.783 1.00 74.43 H new ATOM 0 HB3 GLN A 463 -7.527 8.801 -8.838 1.00 74.43 H new ATOM 0 HG2 GLN A 463 -6.521 6.732 -9.837 1.00 10.41 H new ATOM 0 HG3 GLN A 463 -8.121 6.018 -9.880 1.00 10.41 H new ATOM 0 HE21 GLN A 463 -6.343 6.727 -12.126 1.00 34.42 H new ATOM 0 HE22 GLN A 463 -7.302 7.828 -13.120 1.00 34.42 H new ATOM 253 N LEU A 464 -6.380 8.807 -6.100 1.00 13.30 N ATOM 254 CA LEU A 464 -6.117 9.888 -5.167 1.00 51.24 C ATOM 255 C LEU A 464 -5.586 11.080 -5.894 1.00 74.51 C ATOM 256 O LEU A 464 -4.712 10.943 -6.746 1.00 12.14 O ATOM 257 CB LEU A 464 -5.103 9.457 -4.107 1.00 65.23 C ATOM 258 CG LEU A 464 -5.629 8.702 -2.885 1.00 2.30 C ATOM 259 CD1 LEU A 464 -6.472 9.609 -2.023 1.00 52.44 C ATOM 260 CD2 LEU A 464 -6.418 7.482 -3.248 1.00 74.13 C ATOM 0 H LEU A 464 -5.542 8.465 -6.570 1.00 13.30 H new ATOM 0 HA LEU A 464 -7.057 10.144 -4.678 1.00 51.24 H new ATOM 0 HB2 LEU A 464 -4.356 8.829 -4.593 1.00 65.23 H new ATOM 0 HB3 LEU A 464 -4.588 10.350 -3.753 1.00 65.23 H new ATOM 0 HG LEU A 464 -4.752 8.371 -2.329 1.00 2.30 H new ATOM 0 HD11 LEU A 464 -6.837 9.054 -1.159 1.00 52.44 H new ATOM 0 HD12 LEU A 464 -5.870 10.452 -1.685 1.00 52.44 H new ATOM 0 HD13 LEU A 464 -7.319 9.977 -2.602 1.00 52.44 H new ATOM 0 HD21 LEU A 464 -6.764 6.989 -2.340 1.00 74.13 H new ATOM 0 HD22 LEU A 464 -7.277 7.771 -3.854 1.00 74.13 H new ATOM 0 HD23 LEU A 464 -5.788 6.797 -3.815 1.00 74.13 H new ATOM 272 N LYS A 465 -6.075 12.236 -5.556 1.00 55.52 N ATOM 273 CA LYS A 465 -5.651 13.423 -6.195 1.00 72.13 C ATOM 274 C LYS A 465 -4.801 14.170 -5.207 1.00 64.12 C ATOM 275 O LYS A 465 -5.242 14.476 -4.104 1.00 45.21 O ATOM 276 CB LYS A 465 -6.881 14.244 -6.659 1.00 15.15 C ATOM 277 CG LYS A 465 -6.611 15.374 -7.692 1.00 5.25 C ATOM 278 CD LYS A 465 -5.795 16.554 -7.161 1.00 44.44 C ATOM 279 CE LYS A 465 -6.518 17.276 -6.041 1.00 3.44 C ATOM 280 NZ LYS A 465 -5.770 18.464 -5.576 1.00 2.03 N ATOM 0 H LYS A 465 -6.778 12.371 -4.829 1.00 55.52 H new ATOM 0 HA LYS A 465 -5.067 13.216 -7.092 1.00 72.13 H new ATOM 0 HB2 LYS A 465 -7.608 13.555 -7.089 1.00 15.15 H new ATOM 0 HB3 LYS A 465 -7.345 14.690 -5.779 1.00 15.15 H new ATOM 0 HG2 LYS A 465 -6.089 14.946 -8.548 1.00 5.25 H new ATOM 0 HG3 LYS A 465 -7.568 15.748 -8.057 1.00 5.25 H new ATOM 0 HD2 LYS A 465 -4.830 16.197 -6.801 1.00 44.44 H new ATOM 0 HD3 LYS A 465 -5.593 17.252 -7.973 1.00 44.44 H new ATOM 0 HE2 LYS A 465 -7.506 17.581 -6.385 1.00 3.44 H new ATOM 0 HE3 LYS A 465 -6.668 16.592 -5.206 1.00 3.44 H new ATOM 0 HZ1 LYS A 465 -6.255 18.880 -4.755 1.00 2.03 H new ATOM 0 HZ2 LYS A 465 -4.807 18.183 -5.303 1.00 2.03 H new ATOM 0 HZ3 LYS A 465 -5.722 19.166 -6.342 1.00 2.03 H new ATOM 294 N LYS A 466 -3.576 14.397 -5.596 1.00 73.31 N ATOM 295 CA LYS A 466 -2.572 15.115 -4.812 1.00 32.41 C ATOM 296 C LYS A 466 -3.148 16.399 -4.204 1.00 4.32 C ATOM 297 O LYS A 466 -3.329 17.402 -4.889 1.00 23.04 O ATOM 298 CB LYS A 466 -1.357 15.416 -5.700 1.00 41.01 C ATOM 299 CG LYS A 466 -0.241 16.200 -5.028 1.00 54.41 C ATOM 300 CD LYS A 466 0.950 16.400 -5.961 1.00 12.43 C ATOM 301 CE LYS A 466 0.542 17.110 -7.241 1.00 21.24 C ATOM 302 NZ LYS A 466 1.695 17.369 -8.128 1.00 74.12 N ATOM 0 H LYS A 466 -3.223 14.081 -6.499 1.00 73.31 H new ATOM 0 HA LYS A 466 -2.258 14.486 -3.979 1.00 32.41 H new ATOM 0 HB2 LYS A 466 -0.949 14.472 -6.062 1.00 41.01 H new ATOM 0 HB3 LYS A 466 -1.695 15.973 -6.574 1.00 41.01 H new ATOM 0 HG2 LYS A 466 -0.620 17.171 -4.708 1.00 54.41 H new ATOM 0 HG3 LYS A 466 0.084 15.674 -4.131 1.00 54.41 H new ATOM 0 HD2 LYS A 466 1.719 16.980 -5.451 1.00 12.43 H new ATOM 0 HD3 LYS A 466 1.389 15.433 -6.204 1.00 12.43 H new ATOM 0 HE2 LYS A 466 -0.193 16.505 -7.771 1.00 21.24 H new ATOM 0 HE3 LYS A 466 0.058 18.054 -6.992 1.00 21.24 H new ATOM 0 HZ1 LYS A 466 1.369 17.854 -8.988 1.00 74.12 H new ATOM 0 HZ2 LYS A 466 2.386 17.968 -7.633 1.00 74.12 H new ATOM 0 HZ3 LYS A 466 2.142 16.467 -8.388 1.00 74.12 H new ATOM 316 N GLY A 467 -3.482 16.324 -2.928 1.00 22.02 N ATOM 317 CA GLY A 467 -4.101 17.438 -2.249 1.00 51.40 C ATOM 318 C GLY A 467 -3.105 18.331 -1.557 1.00 72.31 C ATOM 319 O GLY A 467 -2.199 18.868 -2.194 1.00 53.32 O ATOM 0 H GLY A 467 -3.333 15.501 -2.345 1.00 22.02 H new ATOM 0 HA2 GLY A 467 -4.669 18.026 -2.970 1.00 51.40 H new ATOM 0 HA3 GLY A 467 -4.813 17.059 -1.515 1.00 51.40 H new ATOM 323 N THR A 468 -3.268 18.482 -0.255 1.00 64.34 N ATOM 324 CA THR A 468 -2.417 19.332 0.552 1.00 11.13 C ATOM 325 C THR A 468 -0.935 18.884 0.491 1.00 15.14 C ATOM 326 O THR A 468 -0.059 19.676 0.127 1.00 11.22 O ATOM 327 CB THR A 468 -2.910 19.344 2.013 1.00 10.22 C ATOM 328 OG1 THR A 468 -4.304 19.707 2.046 1.00 14.52 O ATOM 329 CG2 THR A 468 -2.115 20.330 2.851 1.00 43.11 C ATOM 0 H THR A 468 -4.002 18.013 0.275 1.00 64.34 H new ATOM 0 HA THR A 468 -2.474 20.341 0.144 1.00 11.13 H new ATOM 0 HB THR A 468 -2.771 18.346 2.429 1.00 10.22 H new ATOM 0 HG1 THR A 468 -4.619 19.713 2.974 1.00 14.52 H new ATOM 0 HG21 THR A 468 -2.485 20.317 3.876 1.00 43.11 H new ATOM 0 HG22 THR A 468 -1.062 20.049 2.841 1.00 43.11 H new ATOM 0 HG23 THR A 468 -2.227 21.332 2.438 1.00 43.11 H new ATOM 337 N GLU A 469 -0.662 17.635 0.850 1.00 13.14 N ATOM 338 CA GLU A 469 0.709 17.138 0.800 1.00 51.30 C ATOM 339 C GLU A 469 0.881 16.064 -0.283 1.00 2.34 C ATOM 340 O GLU A 469 1.995 15.632 -0.597 1.00 31.40 O ATOM 341 CB GLU A 469 1.146 16.626 2.180 1.00 20.53 C ATOM 342 CG GLU A 469 2.598 16.199 2.243 1.00 24.01 C ATOM 343 CD GLU A 469 3.018 15.777 3.605 1.00 12.12 C ATOM 344 OE1 GLU A 469 2.898 14.586 3.936 1.00 63.13 O ATOM 345 OE2 GLU A 469 3.492 16.636 4.369 1.00 40.30 O ATOM 0 H GLU A 469 -1.355 16.960 1.173 1.00 13.14 H new ATOM 0 HA GLU A 469 1.360 17.969 0.527 1.00 51.30 H new ATOM 0 HB2 GLU A 469 0.975 17.409 2.918 1.00 20.53 H new ATOM 0 HB3 GLU A 469 0.516 15.781 2.460 1.00 20.53 H new ATOM 0 HG2 GLU A 469 2.760 15.376 1.547 1.00 24.01 H new ATOM 0 HG3 GLU A 469 3.229 17.024 1.913 1.00 24.01 H new ATOM 352 N GLY A 470 -0.212 15.671 -0.878 1.00 55.51 N ATOM 353 CA GLY A 470 -0.162 14.613 -1.858 1.00 44.43 C ATOM 354 C GLY A 470 -0.056 13.273 -1.195 1.00 23.44 C ATOM 355 O GLY A 470 -0.415 13.171 -0.056 1.00 31.24 O ATOM 0 H GLY A 470 -1.139 16.060 -0.707 1.00 55.51 H new ATOM 0 HA2 GLY A 470 -1.057 14.646 -2.480 1.00 44.43 H new ATOM 0 HA3 GLY A 470 0.691 14.764 -2.519 1.00 44.43 H new ATOM 359 N LEU A 471 0.463 12.261 -1.881 1.00 4.13 N ATOM 360 CA LEU A 471 0.439 10.881 -1.352 1.00 53.40 C ATOM 361 C LEU A 471 0.969 10.783 0.078 1.00 32.30 C ATOM 362 O LEU A 471 2.168 10.818 0.331 1.00 71.44 O ATOM 363 CB LEU A 471 1.142 9.889 -2.269 1.00 31.14 C ATOM 364 CG LEU A 471 0.618 9.807 -3.710 1.00 64.03 C ATOM 365 CD1 LEU A 471 1.271 8.655 -4.449 1.00 31.31 C ATOM 366 CD2 LEU A 471 -0.911 9.717 -3.766 1.00 14.23 C ATOM 0 H LEU A 471 0.904 12.357 -2.796 1.00 4.13 H new ATOM 0 HA LEU A 471 -0.614 10.602 -1.321 1.00 53.40 H new ATOM 0 HB2 LEU A 471 2.201 10.146 -2.304 1.00 31.14 H new ATOM 0 HB3 LEU A 471 1.069 8.898 -1.821 1.00 31.14 H new ATOM 0 HG LEU A 471 0.892 10.735 -4.213 1.00 64.03 H new ATOM 0 HD11 LEU A 471 0.887 8.613 -5.468 1.00 31.31 H new ATOM 0 HD12 LEU A 471 2.351 8.804 -4.473 1.00 31.31 H new ATOM 0 HD13 LEU A 471 1.045 7.720 -3.937 1.00 31.31 H new ATOM 0 HD21 LEU A 471 -1.234 9.661 -4.805 1.00 14.23 H new ATOM 0 HD22 LEU A 471 -1.243 8.825 -3.234 1.00 14.23 H new ATOM 0 HD23 LEU A 471 -1.345 10.601 -3.298 1.00 14.23 H new ATOM 378 N GLY A 472 0.035 10.672 1.000 1.00 32.22 N ATOM 379 CA GLY A 472 0.343 10.681 2.388 1.00 22.41 C ATOM 380 C GLY A 472 -0.138 9.450 3.052 1.00 62.22 C ATOM 381 O GLY A 472 -0.898 9.499 3.999 1.00 60.33 O ATOM 0 H GLY A 472 -0.959 10.573 0.792 1.00 32.22 H new ATOM 0 HA2 GLY A 472 1.421 10.773 2.523 1.00 22.41 H new ATOM 0 HA3 GLY A 472 -0.112 11.552 2.858 1.00 22.41 H new ATOM 385 N PHE A 473 0.255 8.360 2.518 1.00 12.01 N ATOM 386 CA PHE A 473 -0.006 7.087 3.075 1.00 72.43 C ATOM 387 C PHE A 473 1.308 6.394 3.197 1.00 62.32 C ATOM 388 O PHE A 473 2.195 6.619 2.393 1.00 1.03 O ATOM 389 CB PHE A 473 -1.046 6.276 2.241 1.00 3.44 C ATOM 390 CG PHE A 473 -0.700 5.990 0.783 1.00 0.05 C ATOM 391 CD1 PHE A 473 -0.652 7.015 -0.148 1.00 35.15 C ATOM 392 CD2 PHE A 473 -0.452 4.687 0.344 1.00 61.30 C ATOM 393 CE1 PHE A 473 -0.361 6.757 -1.471 1.00 43.50 C ATOM 394 CE2 PHE A 473 -0.160 4.437 -0.995 1.00 74.50 C ATOM 395 CZ PHE A 473 -0.115 5.479 -1.889 1.00 50.53 C ATOM 0 H PHE A 473 0.787 8.325 1.649 1.00 12.01 H new ATOM 0 HA PHE A 473 -0.469 7.185 4.057 1.00 72.43 H new ATOM 0 HB2 PHE A 473 -1.211 5.322 2.742 1.00 3.44 H new ATOM 0 HB3 PHE A 473 -1.992 6.816 2.264 1.00 3.44 H new ATOM 0 HD1 PHE A 473 -0.845 8.030 0.167 1.00 35.15 H new ATOM 0 HD2 PHE A 473 -0.487 3.868 1.047 1.00 61.30 H new ATOM 0 HE1 PHE A 473 -0.327 7.570 -2.181 1.00 43.50 H new ATOM 0 HE2 PHE A 473 0.030 3.428 -1.329 1.00 74.50 H new ATOM 0 HZ PHE A 473 0.116 5.288 -2.927 1.00 50.53 H new ATOM 405 N SER A 474 1.467 5.627 4.196 1.00 2.21 N ATOM 406 CA SER A 474 2.702 4.961 4.410 1.00 62.13 C ATOM 407 C SER A 474 2.491 3.495 4.281 1.00 22.41 C ATOM 408 O SER A 474 1.490 2.968 4.745 1.00 45.21 O ATOM 409 CB SER A 474 3.240 5.322 5.780 1.00 21.14 C ATOM 410 OG SER A 474 3.371 6.726 5.885 1.00 0.43 O ATOM 0 H SER A 474 0.750 5.436 4.896 1.00 2.21 H new ATOM 0 HA SER A 474 3.435 5.272 3.666 1.00 62.13 H new ATOM 0 HB2 SER A 474 2.569 4.951 6.554 1.00 21.14 H new ATOM 0 HB3 SER A 474 4.206 4.844 5.940 1.00 21.14 H new ATOM 0 HG SER A 474 3.717 6.957 6.772 1.00 0.43 H new ATOM 416 N ILE A 475 3.400 2.848 3.645 1.00 11.15 N ATOM 417 CA ILE A 475 3.303 1.446 3.395 1.00 1.30 C ATOM 418 C ILE A 475 4.296 0.666 4.205 1.00 33.41 C ATOM 419 O ILE A 475 5.346 1.162 4.571 1.00 74.20 O ATOM 420 CB ILE A 475 3.489 1.119 1.909 1.00 50.44 C ATOM 421 CG1 ILE A 475 4.726 1.854 1.369 1.00 40.51 C ATOM 422 CG2 ILE A 475 2.220 1.427 1.103 1.00 75.12 C ATOM 423 CD1 ILE A 475 5.074 1.518 -0.043 1.00 32.55 C ATOM 0 H ILE A 475 4.247 3.280 3.276 1.00 11.15 H new ATOM 0 HA ILE A 475 2.297 1.152 3.695 1.00 1.30 H new ATOM 0 HB ILE A 475 3.661 0.048 1.798 1.00 50.44 H new ATOM 0 HG12 ILE A 475 4.557 2.928 1.443 1.00 40.51 H new ATOM 0 HG13 ILE A 475 5.579 1.621 2.006 1.00 40.51 H new ATOM 0 HG21 ILE A 475 2.387 1.183 0.054 1.00 75.12 H new ATOM 0 HG22 ILE A 475 1.392 0.831 1.486 1.00 75.12 H new ATOM 0 HG23 ILE A 475 1.978 2.486 1.196 1.00 75.12 H new ATOM 0 HD11 ILE A 475 5.958 2.080 -0.343 1.00 32.55 H new ATOM 0 HD12 ILE A 475 5.278 0.450 -0.123 1.00 32.55 H new ATOM 0 HD13 ILE A 475 4.240 1.778 -0.695 1.00 32.55 H new ATOM 435 N THR A 476 3.952 -0.529 4.474 1.00 15.20 N ATOM 436 CA THR A 476 4.759 -1.426 5.214 1.00 23.31 C ATOM 437 C THR A 476 4.709 -2.765 4.506 1.00 31.12 C ATOM 438 O THR A 476 3.808 -3.001 3.691 1.00 54.43 O ATOM 439 CB THR A 476 4.220 -1.559 6.671 1.00 21.32 C ATOM 440 OG1 THR A 476 5.066 -2.397 7.464 1.00 74.42 O ATOM 441 CG2 THR A 476 2.789 -2.105 6.689 1.00 0.11 C ATOM 0 H THR A 476 3.064 -0.932 4.175 1.00 15.20 H new ATOM 0 HA THR A 476 5.785 -1.064 5.274 1.00 23.31 H new ATOM 0 HB THR A 476 4.217 -0.558 7.102 1.00 21.32 H new ATOM 0 HG1 THR A 476 4.704 -2.461 8.373 1.00 74.42 H new ATOM 0 HG21 THR A 476 2.443 -2.186 7.720 1.00 0.11 H new ATOM 0 HG22 THR A 476 2.135 -1.429 6.138 1.00 0.11 H new ATOM 0 HG23 THR A 476 2.769 -3.090 6.222 1.00 0.11 H new ATOM 449 N SER A 477 5.655 -3.593 4.756 1.00 33.34 N ATOM 450 CA SER A 477 5.682 -4.886 4.182 1.00 54.15 C ATOM 451 C SER A 477 5.633 -5.914 5.284 1.00 43.20 C ATOM 452 O SER A 477 6.199 -5.705 6.352 1.00 54.11 O ATOM 453 CB SER A 477 6.949 -5.061 3.349 1.00 43.21 C ATOM 454 OG SER A 477 8.113 -4.737 4.106 1.00 43.53 O ATOM 0 H SER A 477 6.442 -3.389 5.372 1.00 33.34 H new ATOM 0 HA SER A 477 4.820 -5.016 3.528 1.00 54.15 H new ATOM 0 HB2 SER A 477 7.016 -6.090 2.996 1.00 43.21 H new ATOM 0 HB3 SER A 477 6.898 -4.424 2.466 1.00 43.21 H new ATOM 0 HG SER A 477 8.910 -4.859 3.549 1.00 43.53 H new ATOM 580 N PRO A 487 4.299 -8.907 0.556 1.00 53.24 N ATOM 581 CA PRO A 487 3.134 -8.061 0.248 1.00 1.14 C ATOM 582 C PRO A 487 3.200 -6.666 0.899 1.00 45.24 C ATOM 583 O PRO A 487 3.685 -6.502 2.034 1.00 4.34 O ATOM 584 CB PRO A 487 1.943 -8.857 0.783 1.00 1.01 C ATOM 585 CG PRO A 487 2.522 -9.815 1.766 1.00 71.43 C ATOM 586 CD PRO A 487 3.913 -10.116 1.298 1.00 40.34 C ATOM 0 HA PRO A 487 3.074 -7.854 -0.821 1.00 1.14 H new ATOM 0 HB2 PRO A 487 1.212 -8.201 1.256 1.00 1.01 H new ATOM 0 HB3 PRO A 487 1.427 -9.382 -0.021 1.00 1.01 H new ATOM 0 HG2 PRO A 487 2.534 -9.384 2.767 1.00 71.43 H new ATOM 0 HG3 PRO A 487 1.925 -10.725 1.818 1.00 71.43 H new ATOM 0 HD2 PRO A 487 4.585 -10.304 2.135 1.00 40.34 H new ATOM 0 HD3 PRO A 487 3.939 -11.001 0.663 1.00 40.34 H new ATOM 594 N ILE A 488 2.690 -5.686 0.178 1.00 44.20 N ATOM 595 CA ILE A 488 2.726 -4.297 0.593 1.00 14.12 C ATOM 596 C ILE A 488 1.398 -3.947 1.290 1.00 50.12 C ATOM 597 O ILE A 488 0.332 -4.281 0.791 1.00 34.43 O ATOM 598 CB ILE A 488 2.865 -3.380 -0.654 1.00 10.23 C ATOM 599 CG1 ILE A 488 3.978 -3.877 -1.618 1.00 74.25 C ATOM 600 CG2 ILE A 488 3.126 -1.939 -0.240 1.00 33.10 C ATOM 601 CD1 ILE A 488 5.375 -3.935 -1.042 1.00 2.33 C ATOM 0 H ILE A 488 2.234 -5.834 -0.722 1.00 44.20 H new ATOM 0 HA ILE A 488 3.570 -4.148 1.266 1.00 14.12 H new ATOM 0 HB ILE A 488 1.918 -3.424 -1.193 1.00 10.23 H new ATOM 0 HG12 ILE A 488 3.709 -4.873 -1.969 1.00 74.25 H new ATOM 0 HG13 ILE A 488 3.993 -3.225 -2.491 1.00 74.25 H new ATOM 0 HG21 ILE A 488 3.220 -1.316 -1.130 1.00 33.10 H new ATOM 0 HG22 ILE A 488 2.297 -1.579 0.369 1.00 33.10 H new ATOM 0 HG23 ILE A 488 4.049 -1.888 0.338 1.00 33.10 H new ATOM 0 HD11 ILE A 488 6.068 -4.295 -1.803 1.00 2.33 H new ATOM 0 HD12 ILE A 488 5.677 -2.939 -0.719 1.00 2.33 H new ATOM 0 HD13 ILE A 488 5.389 -4.613 -0.189 1.00 2.33 H new ATOM 613 N TYR A 489 1.461 -3.292 2.422 1.00 31.35 N ATOM 614 CA TYR A 489 0.263 -2.908 3.165 1.00 44.20 C ATOM 615 C TYR A 489 0.322 -1.468 3.550 1.00 64.15 C ATOM 616 O TYR A 489 1.399 -0.918 3.714 1.00 32.53 O ATOM 617 CB TYR A 489 0.095 -3.761 4.427 1.00 31.12 C ATOM 618 CG TYR A 489 -0.092 -5.206 4.135 1.00 75.20 C ATOM 619 CD1 TYR A 489 -1.314 -5.671 3.726 1.00 40.45 C ATOM 620 CD2 TYR A 489 0.955 -6.102 4.239 1.00 24.22 C ATOM 621 CE1 TYR A 489 -1.507 -6.985 3.427 1.00 12.30 C ATOM 622 CE2 TYR A 489 0.771 -7.427 3.944 1.00 53.30 C ATOM 623 CZ TYR A 489 -0.468 -7.863 3.536 1.00 70.44 C ATOM 624 OH TYR A 489 -0.663 -9.182 3.219 1.00 2.33 O ATOM 0 H TYR A 489 2.335 -3.006 2.862 1.00 31.35 H new ATOM 0 HA TYR A 489 -0.593 -3.074 2.511 1.00 44.20 H new ATOM 0 HB2 TYR A 489 0.972 -3.636 5.062 1.00 31.12 H new ATOM 0 HB3 TYR A 489 -0.763 -3.397 4.992 1.00 31.12 H new ATOM 0 HD1 TYR A 489 -2.141 -4.981 3.639 1.00 40.45 H new ATOM 0 HD2 TYR A 489 1.927 -5.754 4.556 1.00 24.22 H new ATOM 0 HE1 TYR A 489 -2.478 -7.331 3.105 1.00 12.30 H new ATOM 0 HE2 TYR A 489 1.592 -8.123 4.031 1.00 53.30 H new ATOM 0 HH TYR A 489 0.173 -9.676 3.348 1.00 2.33 H new ATOM 634 N VAL A 490 -0.818 -0.854 3.686 1.00 50.01 N ATOM 635 CA VAL A 490 -0.874 0.514 4.121 1.00 21.54 C ATOM 636 C VAL A 490 -0.828 0.545 5.647 1.00 32.41 C ATOM 637 O VAL A 490 -1.711 -0.002 6.318 1.00 12.12 O ATOM 638 CB VAL A 490 -2.158 1.229 3.619 1.00 22.14 C ATOM 639 CG1 VAL A 490 -2.170 2.688 4.052 1.00 54.21 C ATOM 640 CG2 VAL A 490 -2.282 1.122 2.102 1.00 14.11 C ATOM 0 H VAL A 490 -1.726 -1.280 3.501 1.00 50.01 H new ATOM 0 HA VAL A 490 -0.020 1.045 3.700 1.00 21.54 H new ATOM 0 HB VAL A 490 -3.017 0.731 4.069 1.00 22.14 H new ATOM 0 HG11 VAL A 490 -3.079 3.168 3.689 1.00 54.21 H new ATOM 0 HG12 VAL A 490 -2.140 2.745 5.140 1.00 54.21 H new ATOM 0 HG13 VAL A 490 -1.300 3.198 3.638 1.00 54.21 H new ATOM 0 HG21 VAL A 490 -3.189 1.630 1.774 1.00 14.11 H new ATOM 0 HG22 VAL A 490 -1.415 1.587 1.632 1.00 14.11 H new ATOM 0 HG23 VAL A 490 -2.330 0.072 1.814 1.00 14.11 H new ATOM 650 N LYS A 491 0.192 1.182 6.170 1.00 24.35 N ATOM 651 CA LYS A 491 0.421 1.295 7.592 1.00 74.21 C ATOM 652 C LYS A 491 -0.392 2.431 8.161 1.00 11.34 C ATOM 653 O LYS A 491 -1.189 2.242 9.075 1.00 42.14 O ATOM 654 CB LYS A 491 1.920 1.568 7.863 1.00 31.12 C ATOM 655 CG LYS A 491 2.277 1.847 9.326 1.00 25.10 C ATOM 656 CD LYS A 491 2.081 0.644 10.205 1.00 30.02 C ATOM 657 CE LYS A 491 3.118 -0.445 9.930 1.00 25.53 C ATOM 658 NZ LYS A 491 4.511 0.028 10.154 1.00 3.45 N ATOM 0 H LYS A 491 0.903 1.647 5.606 1.00 24.35 H new ATOM 0 HA LYS A 491 0.123 0.360 8.066 1.00 74.21 H new ATOM 0 HB2 LYS A 491 2.497 0.708 7.522 1.00 31.12 H new ATOM 0 HB3 LYS A 491 2.233 2.421 7.260 1.00 31.12 H new ATOM 0 HG2 LYS A 491 3.315 2.173 9.388 1.00 25.10 H new ATOM 0 HG3 LYS A 491 1.663 2.668 9.696 1.00 25.10 H new ATOM 0 HD2 LYS A 491 2.142 0.946 11.251 1.00 30.02 H new ATOM 0 HD3 LYS A 491 1.081 0.240 10.048 1.00 30.02 H new ATOM 0 HE2 LYS A 491 2.920 -1.302 10.574 1.00 25.53 H new ATOM 0 HE3 LYS A 491 3.015 -0.789 8.901 1.00 25.53 H new ATOM 0 HZ1 LYS A 491 5.144 -0.791 10.256 1.00 3.45 H new ATOM 0 HZ2 LYS A 491 4.817 0.603 9.343 1.00 3.45 H new ATOM 0 HZ3 LYS A 491 4.547 0.603 11.020 1.00 3.45 H new ATOM 672 N ASN A 492 -0.197 3.600 7.601 1.00 30.31 N ATOM 673 CA ASN A 492 -0.818 4.797 8.136 1.00 63.33 C ATOM 674 C ASN A 492 -1.264 5.706 7.017 1.00 53.02 C ATOM 675 O ASN A 492 -0.697 5.680 5.917 1.00 45.53 O ATOM 676 CB ASN A 492 0.189 5.560 9.016 1.00 2.14 C ATOM 677 CG ASN A 492 -0.435 6.727 9.779 1.00 34.20 C ATOM 678 OD1 ASN A 492 -1.613 6.702 10.133 1.00 41.22 O ATOM 679 ND2 ASN A 492 0.348 7.743 10.040 1.00 2.31 N ATOM 0 H ASN A 492 0.384 3.753 6.777 1.00 30.31 H new ATOM 0 HA ASN A 492 -1.683 4.497 8.728 1.00 63.33 H new ATOM 0 HB2 ASN A 492 0.636 4.867 9.729 1.00 2.14 H new ATOM 0 HB3 ASN A 492 0.997 5.936 8.388 1.00 2.14 H new ATOM 0 HD21 ASN A 492 -0.014 8.547 10.552 1.00 2.31 H new ATOM 0 HD22 ASN A 492 1.320 7.730 9.731 1.00 2.31 H new ATOM 686 N ILE A 493 -2.264 6.479 7.300 1.00 14.42 N ATOM 687 CA ILE A 493 -2.788 7.483 6.424 1.00 20.22 C ATOM 688 C ILE A 493 -2.587 8.821 7.121 1.00 34.13 C ATOM 689 O ILE A 493 -3.264 9.125 8.101 1.00 11.34 O ATOM 690 CB ILE A 493 -4.309 7.241 6.188 1.00 73.32 C ATOM 691 CG1 ILE A 493 -4.559 5.923 5.467 1.00 53.21 C ATOM 692 CG2 ILE A 493 -4.967 8.380 5.440 1.00 74.34 C ATOM 693 CD1 ILE A 493 -4.088 5.873 4.027 1.00 52.13 C ATOM 0 H ILE A 493 -2.762 6.426 8.189 1.00 14.42 H new ATOM 0 HA ILE A 493 -2.285 7.459 5.457 1.00 20.22 H new ATOM 0 HB ILE A 493 -4.766 7.189 7.176 1.00 73.32 H new ATOM 0 HG12 ILE A 493 -4.065 5.125 6.021 1.00 53.21 H new ATOM 0 HG13 ILE A 493 -5.628 5.712 5.490 1.00 53.21 H new ATOM 0 HG21 ILE A 493 -6.026 8.161 5.302 1.00 74.34 H new ATOM 0 HG22 ILE A 493 -4.859 9.302 6.012 1.00 74.34 H new ATOM 0 HG23 ILE A 493 -4.491 8.499 4.467 1.00 74.34 H new ATOM 0 HD11 ILE A 493 -4.312 4.894 3.605 1.00 52.13 H new ATOM 0 HD12 ILE A 493 -4.600 6.643 3.450 1.00 52.13 H new ATOM 0 HD13 ILE A 493 -3.013 6.046 3.990 1.00 52.13 H new ATOM 705 N LEU A 494 -1.628 9.569 6.659 1.00 60.45 N ATOM 706 CA LEU A 494 -1.311 10.868 7.225 1.00 42.42 C ATOM 707 C LEU A 494 -2.504 11.838 7.114 1.00 55.12 C ATOM 708 O LEU A 494 -3.261 11.789 6.152 1.00 30.03 O ATOM 709 CB LEU A 494 -0.027 11.463 6.607 1.00 32.10 C ATOM 710 CG LEU A 494 1.320 10.761 6.927 1.00 0.32 C ATOM 711 CD1 LEU A 494 1.557 10.681 8.423 1.00 14.31 C ATOM 712 CD2 LEU A 494 1.426 9.384 6.289 1.00 14.04 C ATOM 0 H LEU A 494 -1.034 9.302 5.874 1.00 60.45 H new ATOM 0 HA LEU A 494 -1.113 10.720 8.287 1.00 42.42 H new ATOM 0 HB2 LEU A 494 -0.150 11.475 5.524 1.00 32.10 H new ATOM 0 HB3 LEU A 494 0.051 12.501 6.930 1.00 32.10 H new ATOM 0 HG LEU A 494 2.103 11.378 6.487 1.00 0.32 H new ATOM 0 HD11 LEU A 494 2.508 10.184 8.615 1.00 14.31 H new ATOM 0 HD12 LEU A 494 1.582 11.687 8.842 1.00 14.31 H new ATOM 0 HD13 LEU A 494 0.751 10.114 8.889 1.00 14.31 H new ATOM 0 HD21 LEU A 494 2.387 8.938 6.545 1.00 14.04 H new ATOM 0 HD22 LEU A 494 0.621 8.749 6.659 1.00 14.04 H new ATOM 0 HD23 LEU A 494 1.346 9.478 5.206 1.00 14.04 H new ATOM 724 N PRO A 495 -2.664 12.734 8.108 1.00 10.13 N ATOM 725 CA PRO A 495 -3.849 13.642 8.253 1.00 62.43 C ATOM 726 C PRO A 495 -3.911 14.823 7.296 1.00 62.14 C ATOM 727 O PRO A 495 -4.730 15.726 7.498 1.00 23.30 O ATOM 728 CB PRO A 495 -3.651 14.187 9.657 1.00 42.32 C ATOM 729 CG PRO A 495 -2.182 14.219 9.816 1.00 43.10 C ATOM 730 CD PRO A 495 -1.703 12.945 9.217 1.00 25.53 C ATOM 0 HA PRO A 495 -4.766 13.090 8.046 1.00 62.43 H new ATOM 0 HB2 PRO A 495 -4.087 15.180 9.766 1.00 42.32 H new ATOM 0 HB3 PRO A 495 -4.121 13.548 10.405 1.00 42.32 H new ATOM 0 HG2 PRO A 495 -1.749 15.081 9.309 1.00 43.10 H new ATOM 0 HG3 PRO A 495 -1.900 14.292 10.866 1.00 43.10 H new ATOM 0 HD2 PRO A 495 -0.678 13.026 8.856 1.00 25.53 H new ATOM 0 HD3 PRO A 495 -1.725 12.125 9.935 1.00 25.53 H new ATOM 738 N ARG A 496 -3.096 14.844 6.275 1.00 30.23 N ATOM 739 CA ARG A 496 -3.107 16.002 5.387 1.00 62.30 C ATOM 740 C ARG A 496 -2.614 15.741 3.966 1.00 32.22 C ATOM 741 O ARG A 496 -2.528 16.657 3.150 1.00 72.34 O ATOM 742 CB ARG A 496 -2.388 17.155 6.024 1.00 41.01 C ATOM 743 CG ARG A 496 -1.019 16.798 6.569 1.00 12.21 C ATOM 744 CD ARG A 496 -0.359 17.987 7.215 1.00 1.10 C ATOM 745 NE ARG A 496 -1.154 18.537 8.327 1.00 51.21 N ATOM 746 CZ ARG A 496 -0.820 19.616 9.054 1.00 74.22 C ATOM 747 NH1 ARG A 496 0.327 20.236 8.843 1.00 10.41 N ATOM 748 NH2 ARG A 496 -1.634 20.055 9.998 1.00 23.11 N ATOM 0 H ARG A 496 -2.434 14.107 6.033 1.00 30.23 H new ATOM 0 HA ARG A 496 -4.158 16.257 5.254 1.00 62.30 H new ATOM 0 HB2 ARG A 496 -2.279 17.953 5.290 1.00 41.01 H new ATOM 0 HB3 ARG A 496 -3.000 17.549 6.835 1.00 41.01 H new ATOM 0 HG2 ARG A 496 -1.114 15.992 7.297 1.00 12.21 H new ATOM 0 HG3 ARG A 496 -0.390 16.425 5.761 1.00 12.21 H new ATOM 0 HD2 ARG A 496 0.625 17.697 7.584 1.00 1.10 H new ATOM 0 HD3 ARG A 496 -0.202 18.763 6.466 1.00 1.10 H new ATOM 0 HE ARG A 496 -2.025 18.062 8.563 1.00 51.21 H new ATOM 0 HH11 ARG A 496 0.966 19.896 8.124 1.00 10.41 H new ATOM 0 HH12 ARG A 496 0.574 21.055 9.399 1.00 10.41 H new ATOM 0 HH21 ARG A 496 -2.516 19.574 10.175 1.00 23.11 H new ATOM 0 HH22 ARG A 496 -1.380 20.874 10.550 1.00 23.11 H new ATOM 762 N GLY A 497 -2.304 14.530 3.662 1.00 71.23 N ATOM 763 CA GLY A 497 -1.930 14.216 2.299 1.00 75.42 C ATOM 764 C GLY A 497 -3.150 13.963 1.393 1.00 44.11 C ATOM 765 O GLY A 497 -4.257 14.333 1.723 1.00 14.21 O ATOM 0 H GLY A 497 -2.297 13.744 4.312 1.00 71.23 H new ATOM 0 HA2 GLY A 497 -1.342 15.037 1.889 1.00 75.42 H new ATOM 0 HA3 GLY A 497 -1.290 13.333 2.296 1.00 75.42 H new ATOM 769 N ALA A 498 -2.931 13.308 0.265 1.00 31.44 N ATOM 770 CA ALA A 498 -3.943 13.073 -0.719 1.00 73.02 C ATOM 771 C ALA A 498 -4.956 12.102 -0.191 1.00 63.34 C ATOM 772 O ALA A 498 -6.156 12.276 -0.370 1.00 72.04 O ATOM 773 CB ALA A 498 -3.318 12.494 -1.984 1.00 25.44 C ATOM 0 H ALA A 498 -2.021 12.922 0.014 1.00 31.44 H new ATOM 0 HA ALA A 498 -4.428 14.021 -0.950 1.00 73.02 H new ATOM 0 HB1 ALA A 498 -4.096 12.319 -2.727 1.00 25.44 H new ATOM 0 HB2 ALA A 498 -2.587 13.197 -2.383 1.00 25.44 H new ATOM 0 HB3 ALA A 498 -2.824 11.552 -1.747 1.00 25.44 H new ATOM 779 N ALA A 499 -4.439 11.099 0.529 1.00 31.40 N ATOM 780 CA ALA A 499 -5.226 9.988 1.032 1.00 21.05 C ATOM 781 C ALA A 499 -6.369 10.456 1.892 1.00 3.04 C ATOM 782 O ALA A 499 -7.467 9.962 1.780 1.00 53.45 O ATOM 783 CB ALA A 499 -4.335 9.030 1.801 1.00 73.53 C ATOM 0 H ALA A 499 -3.451 11.044 0.776 1.00 31.40 H new ATOM 0 HA ALA A 499 -5.658 9.468 0.177 1.00 21.05 H new ATOM 0 HB1 ALA A 499 -4.932 8.199 2.176 1.00 73.53 H new ATOM 0 HB2 ALA A 499 -3.556 8.649 1.141 1.00 73.53 H new ATOM 0 HB3 ALA A 499 -3.876 9.554 2.640 1.00 73.53 H new ATOM 789 N ILE A 500 -6.096 11.406 2.733 1.00 24.23 N ATOM 790 CA ILE A 500 -7.076 11.968 3.623 1.00 45.23 C ATOM 791 C ILE A 500 -7.981 12.999 2.929 1.00 5.22 C ATOM 792 O ILE A 500 -9.178 13.048 3.204 1.00 64.31 O ATOM 793 CB ILE A 500 -6.371 12.500 4.894 1.00 73.15 C ATOM 794 CG1 ILE A 500 -7.302 13.161 5.939 1.00 22.05 C ATOM 795 CG2 ILE A 500 -5.270 13.432 4.500 1.00 50.21 C ATOM 796 CD1 ILE A 500 -7.566 14.650 5.736 1.00 11.15 C ATOM 0 H ILE A 500 -5.170 11.823 2.825 1.00 24.23 H new ATOM 0 HA ILE A 500 -7.765 11.184 3.936 1.00 45.23 H new ATOM 0 HB ILE A 500 -5.973 11.622 5.403 1.00 73.15 H new ATOM 0 HG12 ILE A 500 -8.257 12.636 5.932 1.00 22.05 H new ATOM 0 HG13 ILE A 500 -6.867 13.019 6.928 1.00 22.05 H new ATOM 0 HG21 ILE A 500 -4.773 13.807 5.395 1.00 50.21 H new ATOM 0 HG22 ILE A 500 -4.548 12.901 3.880 1.00 50.21 H new ATOM 0 HG23 ILE A 500 -5.685 14.269 3.938 1.00 50.21 H new ATOM 0 HD11 ILE A 500 -8.229 15.012 6.522 1.00 11.15 H new ATOM 0 HD12 ILE A 500 -6.623 15.196 5.776 1.00 11.15 H new ATOM 0 HD13 ILE A 500 -8.035 14.807 4.765 1.00 11.15 H new ATOM 808 N GLN A 501 -7.416 13.798 2.014 1.00 72.42 N ATOM 809 CA GLN A 501 -8.208 14.801 1.295 1.00 62.11 C ATOM 810 C GLN A 501 -9.316 14.133 0.487 1.00 54.12 C ATOM 811 O GLN A 501 -10.457 14.619 0.450 1.00 70.42 O ATOM 812 CB GLN A 501 -7.336 15.698 0.404 1.00 25.03 C ATOM 813 CG GLN A 501 -6.312 16.537 1.163 1.00 35.41 C ATOM 814 CD GLN A 501 -6.937 17.449 2.203 1.00 13.03 C ATOM 815 OE1 GLN A 501 -7.109 17.069 3.352 1.00 3.54 O ATOM 816 NE2 GLN A 501 -7.257 18.659 1.820 1.00 23.44 N ATOM 0 H GLN A 501 -6.429 13.770 1.758 1.00 72.42 H new ATOM 0 HA GLN A 501 -8.668 15.449 2.041 1.00 62.11 H new ATOM 0 HB2 GLN A 501 -6.811 15.072 -0.318 1.00 25.03 H new ATOM 0 HB3 GLN A 501 -7.984 16.365 -0.164 1.00 25.03 H new ATOM 0 HG2 GLN A 501 -5.600 15.873 1.653 1.00 35.41 H new ATOM 0 HG3 GLN A 501 -5.748 17.141 0.452 1.00 35.41 H new ATOM 0 HE21 GLN A 501 -7.101 18.946 0.854 1.00 23.44 H new ATOM 0 HE22 GLN A 501 -7.662 19.315 2.488 1.00 23.44 H new ATOM 825 N ASP A 502 -8.989 13.014 -0.140 1.00 41.35 N ATOM 826 CA ASP A 502 -9.996 12.226 -0.842 1.00 24.51 C ATOM 827 C ASP A 502 -10.698 11.316 0.122 1.00 43.30 C ATOM 828 O ASP A 502 -11.921 11.180 0.081 1.00 22.54 O ATOM 829 CB ASP A 502 -9.419 11.382 -1.980 1.00 24.02 C ATOM 830 CG ASP A 502 -9.029 12.159 -3.219 1.00 42.51 C ATOM 831 OD1 ASP A 502 -9.902 12.343 -4.109 1.00 50.14 O ATOM 832 OD2 ASP A 502 -7.870 12.567 -3.343 1.00 21.22 O ATOM 0 H ASP A 502 -8.044 12.632 -0.179 1.00 41.35 H new ATOM 0 HA ASP A 502 -10.690 12.942 -1.282 1.00 24.51 H new ATOM 0 HB2 ASP A 502 -8.541 10.853 -1.610 1.00 24.02 H new ATOM 0 HB3 ASP A 502 -10.153 10.626 -2.260 1.00 24.02 H new ATOM 837 N GLY A 503 -9.928 10.685 1.002 1.00 44.23 N ATOM 838 CA GLY A 503 -10.486 9.779 1.971 1.00 63.21 C ATOM 839 C GLY A 503 -10.997 8.488 1.370 1.00 35.21 C ATOM 840 O GLY A 503 -11.721 7.732 2.019 1.00 44.02 O ATOM 0 H GLY A 503 -8.915 10.792 1.056 1.00 44.23 H new ATOM 0 HA2 GLY A 503 -9.727 9.547 2.718 1.00 63.21 H new ATOM 0 HA3 GLY A 503 -11.304 10.276 2.492 1.00 63.21 H new ATOM 844 N ARG A 504 -10.626 8.230 0.142 1.00 62.34 N ATOM 845 CA ARG A 504 -11.081 7.046 -0.550 1.00 34.44 C ATOM 846 C ARG A 504 -10.124 5.877 -0.261 1.00 45.22 C ATOM 847 O ARG A 504 -10.445 4.721 -0.486 1.00 53.20 O ATOM 848 CB ARG A 504 -11.194 7.348 -2.052 1.00 43.33 C ATOM 849 CG ARG A 504 -11.800 6.236 -2.893 1.00 61.13 C ATOM 850 CD ARG A 504 -11.845 6.643 -4.359 1.00 2.35 C ATOM 851 NE ARG A 504 -12.293 5.555 -5.226 1.00 22.12 N ATOM 852 CZ ARG A 504 -12.272 5.588 -6.569 1.00 60.15 C ATOM 853 NH1 ARG A 504 -11.858 6.679 -7.215 1.00 70.02 N ATOM 854 NH2 ARG A 504 -12.660 4.531 -7.257 1.00 33.53 N ATOM 0 H ARG A 504 -10.006 8.827 -0.405 1.00 62.34 H new ATOM 0 HA ARG A 504 -12.069 6.753 -0.194 1.00 34.44 H new ATOM 0 HB2 ARG A 504 -11.795 8.248 -2.181 1.00 43.33 H new ATOM 0 HB3 ARG A 504 -10.199 7.572 -2.437 1.00 43.33 H new ATOM 0 HG2 ARG A 504 -11.213 5.325 -2.780 1.00 61.13 H new ATOM 0 HG3 ARG A 504 -12.807 6.012 -2.540 1.00 61.13 H new ATOM 0 HD2 ARG A 504 -12.514 7.496 -4.476 1.00 2.35 H new ATOM 0 HD3 ARG A 504 -10.854 6.970 -4.673 1.00 2.35 H new ATOM 0 HE ARG A 504 -12.647 4.709 -4.779 1.00 22.12 H new ATOM 0 HH11 ARG A 504 -11.554 7.498 -6.689 1.00 70.02 H new ATOM 0 HH12 ARG A 504 -11.846 6.694 -8.235 1.00 70.02 H new ATOM 0 HH21 ARG A 504 -12.975 3.692 -6.769 1.00 33.53 H new ATOM 0 HH22 ARG A 504 -12.645 4.553 -8.277 1.00 33.53 H new ATOM 868 N LEU A 505 -8.974 6.209 0.278 1.00 22.13 N ATOM 869 CA LEU A 505 -7.948 5.255 0.647 1.00 53.01 C ATOM 870 C LEU A 505 -7.796 5.295 2.153 1.00 64.31 C ATOM 871 O LEU A 505 -7.841 6.376 2.742 1.00 12.45 O ATOM 872 CB LEU A 505 -6.626 5.668 -0.007 1.00 21.14 C ATOM 873 CG LEU A 505 -5.415 4.765 0.230 1.00 50.02 C ATOM 874 CD1 LEU A 505 -5.601 3.417 -0.446 1.00 15.21 C ATOM 875 CD2 LEU A 505 -4.152 5.443 -0.252 1.00 3.10 C ATOM 0 H LEU A 505 -8.717 7.176 0.478 1.00 22.13 H new ATOM 0 HA LEU A 505 -8.217 4.251 0.318 1.00 53.01 H new ATOM 0 HB2 LEU A 505 -6.789 5.738 -1.082 1.00 21.14 H new ATOM 0 HB3 LEU A 505 -6.374 6.669 0.343 1.00 21.14 H new ATOM 0 HG LEU A 505 -5.323 4.588 1.302 1.00 50.02 H new ATOM 0 HD11 LEU A 505 -4.726 2.794 -0.262 1.00 15.21 H new ATOM 0 HD12 LEU A 505 -6.487 2.927 -0.042 1.00 15.21 H new ATOM 0 HD13 LEU A 505 -5.724 3.562 -1.519 1.00 15.21 H new ATOM 0 HD21 LEU A 505 -3.298 4.789 -0.077 1.00 3.10 H new ATOM 0 HD22 LEU A 505 -4.236 5.653 -1.318 1.00 3.10 H new ATOM 0 HD23 LEU A 505 -4.010 6.377 0.291 1.00 3.10 H new ATOM 887 N LYS A 506 -7.653 4.150 2.780 1.00 61.42 N ATOM 888 CA LYS A 506 -7.469 4.101 4.216 1.00 11.44 C ATOM 889 C LYS A 506 -6.460 3.038 4.648 1.00 54.31 C ATOM 890 O LYS A 506 -6.037 2.209 3.841 1.00 21.31 O ATOM 891 CB LYS A 506 -8.795 4.058 5.045 1.00 42.35 C ATOM 892 CG LYS A 506 -9.790 2.913 4.759 1.00 44.35 C ATOM 893 CD LYS A 506 -10.444 3.007 3.373 1.00 10.32 C ATOM 894 CE LYS A 506 -11.197 4.333 3.168 1.00 53.51 C ATOM 895 NZ LYS A 506 -12.272 4.551 4.166 1.00 51.21 N ATOM 0 H LYS A 506 -7.660 3.239 2.320 1.00 61.42 H new ATOM 0 HA LYS A 506 -7.029 5.066 4.466 1.00 11.44 H new ATOM 0 HB2 LYS A 506 -8.528 4.013 6.101 1.00 42.35 H new ATOM 0 HB3 LYS A 506 -9.318 5.002 4.889 1.00 42.35 H new ATOM 0 HG2 LYS A 506 -9.269 1.959 4.843 1.00 44.35 H new ATOM 0 HG3 LYS A 506 -10.569 2.919 5.522 1.00 44.35 H new ATOM 0 HD2 LYS A 506 -9.677 2.905 2.605 1.00 10.32 H new ATOM 0 HD3 LYS A 506 -11.137 2.175 3.244 1.00 10.32 H new ATOM 0 HE2 LYS A 506 -10.488 5.159 3.221 1.00 53.51 H new ATOM 0 HE3 LYS A 506 -11.630 4.348 2.168 1.00 53.51 H new ATOM 0 HZ1 LYS A 506 -12.765 5.443 3.956 1.00 51.21 H new ATOM 0 HZ2 LYS A 506 -12.949 3.763 4.124 1.00 51.21 H new ATOM 0 HZ3 LYS A 506 -11.857 4.601 5.118 1.00 51.21 H new ATOM 909 N ALA A 507 -6.078 3.081 5.914 1.00 43.44 N ATOM 910 CA ALA A 507 -5.031 2.234 6.453 1.00 33.44 C ATOM 911 C ALA A 507 -5.549 0.856 6.819 1.00 22.43 C ATOM 912 O ALA A 507 -6.756 0.663 6.984 1.00 62.40 O ATOM 913 CB ALA A 507 -4.390 2.911 7.659 1.00 12.10 C ATOM 0 H ALA A 507 -6.491 3.711 6.601 1.00 43.44 H new ATOM 0 HA ALA A 507 -4.277 2.094 5.678 1.00 33.44 H new ATOM 0 HB1 ALA A 507 -3.604 2.271 8.060 1.00 12.10 H new ATOM 0 HB2 ALA A 507 -3.961 3.866 7.355 1.00 12.10 H new ATOM 0 HB3 ALA A 507 -5.146 3.081 8.425 1.00 12.10 H new ATOM 919 N GLY A 508 -4.631 -0.088 6.961 1.00 31.34 N ATOM 920 CA GLY A 508 -5.002 -1.453 7.280 1.00 55.23 C ATOM 921 C GLY A 508 -5.580 -2.146 6.074 1.00 51.45 C ATOM 922 O GLY A 508 -6.571 -2.876 6.171 1.00 74.05 O ATOM 0 H GLY A 508 -3.628 0.068 6.860 1.00 31.34 H new ATOM 0 HA2 GLY A 508 -4.128 -1.999 7.634 1.00 55.23 H new ATOM 0 HA3 GLY A 508 -5.730 -1.457 8.091 1.00 55.23 H new ATOM 926 N ASP A 509 -4.963 -1.926 4.944 1.00 71.50 N ATOM 927 CA ASP A 509 -5.459 -2.439 3.688 1.00 51.55 C ATOM 928 C ASP A 509 -4.242 -2.753 2.824 1.00 40.33 C ATOM 929 O ASP A 509 -3.195 -2.102 2.987 1.00 72.44 O ATOM 930 CB ASP A 509 -6.339 -1.343 3.075 1.00 0.43 C ATOM 931 CG ASP A 509 -7.255 -1.804 1.978 1.00 73.34 C ATOM 932 OD1 ASP A 509 -8.074 -2.711 2.231 1.00 1.15 O ATOM 933 OD2 ASP A 509 -7.218 -1.225 0.893 1.00 10.21 O ATOM 0 H ASP A 509 -4.101 -1.386 4.865 1.00 71.50 H new ATOM 0 HA ASP A 509 -6.055 -3.346 3.790 1.00 51.55 H new ATOM 0 HB2 ASP A 509 -6.941 -0.896 3.866 1.00 0.43 H new ATOM 0 HB3 ASP A 509 -5.694 -0.557 2.683 1.00 0.43 H new ATOM 938 N ARG A 510 -4.334 -3.745 1.957 1.00 22.30 N ATOM 939 CA ARG A 510 -3.169 -4.173 1.174 1.00 64.54 C ATOM 940 C ARG A 510 -3.043 -3.378 -0.107 1.00 53.10 C ATOM 941 O ARG A 510 -4.021 -3.121 -0.773 1.00 23.22 O ATOM 942 CB ARG A 510 -3.224 -5.688 0.844 1.00 41.55 C ATOM 943 CG ARG A 510 -2.026 -6.174 0.014 1.00 73.23 C ATOM 944 CD ARG A 510 -2.141 -7.619 -0.461 1.00 61.13 C ATOM 945 NE ARG A 510 -2.136 -8.595 0.637 1.00 14.11 N ATOM 946 CZ ARG A 510 -2.449 -9.897 0.516 1.00 34.40 C ATOM 947 NH1 ARG A 510 -2.822 -10.401 -0.653 1.00 43.42 N ATOM 948 NH2 ARG A 510 -2.366 -10.689 1.566 1.00 65.44 N ATOM 0 H ARG A 510 -5.189 -4.270 1.772 1.00 22.30 H new ATOM 0 HA ARG A 510 -2.291 -3.986 1.793 1.00 64.54 H new ATOM 0 HB2 ARG A 510 -3.266 -6.254 1.775 1.00 41.55 H new ATOM 0 HB3 ARG A 510 -4.144 -5.901 0.300 1.00 41.55 H new ATOM 0 HG2 ARG A 510 -1.913 -5.525 -0.855 1.00 73.23 H new ATOM 0 HG3 ARG A 510 -1.119 -6.070 0.610 1.00 73.23 H new ATOM 0 HD2 ARG A 510 -3.061 -7.733 -1.035 1.00 61.13 H new ATOM 0 HD3 ARG A 510 -1.314 -7.839 -1.137 1.00 61.13 H new ATOM 0 HE ARG A 510 -1.875 -8.259 1.564 1.00 14.11 H new ATOM 0 HH11 ARG A 510 -2.874 -9.799 -1.475 1.00 43.42 H new ATOM 0 HH12 ARG A 510 -3.057 -11.391 -0.730 1.00 43.42 H new ATOM 0 HH21 ARG A 510 -2.065 -10.314 2.465 1.00 65.44 H new ATOM 0 HH22 ARG A 510 -2.602 -11.677 1.479 1.00 65.44 H new ATOM 962 N LEU A 511 -1.840 -2.996 -0.447 1.00 24.41 N ATOM 963 CA LEU A 511 -1.596 -2.292 -1.645 1.00 4.43 C ATOM 964 C LEU A 511 -1.058 -3.286 -2.694 1.00 1.53 C ATOM 965 O LEU A 511 -0.111 -4.020 -2.422 1.00 53.15 O ATOM 966 CB LEU A 511 -0.586 -1.199 -1.374 1.00 22.51 C ATOM 967 CG LEU A 511 -0.412 -0.189 -2.470 1.00 4.43 C ATOM 968 CD1 LEU A 511 -1.714 0.536 -2.707 1.00 73.23 C ATOM 969 CD2 LEU A 511 0.690 0.772 -2.119 1.00 64.44 C ATOM 0 H LEU A 511 -1.007 -3.173 0.114 1.00 24.41 H new ATOM 0 HA LEU A 511 -2.511 -1.835 -2.022 1.00 4.43 H new ATOM 0 HB2 LEU A 511 -0.880 -0.675 -0.465 1.00 22.51 H new ATOM 0 HB3 LEU A 511 0.380 -1.663 -1.176 1.00 22.51 H new ATOM 0 HG LEU A 511 -0.131 -0.699 -3.391 1.00 4.43 H new ATOM 0 HD11 LEU A 511 -1.583 1.268 -3.504 1.00 73.23 H new ATOM 0 HD12 LEU A 511 -2.482 -0.181 -2.996 1.00 73.23 H new ATOM 0 HD13 LEU A 511 -2.019 1.045 -1.793 1.00 73.23 H new ATOM 0 HD21 LEU A 511 0.807 1.500 -2.922 1.00 64.44 H new ATOM 0 HD22 LEU A 511 0.440 1.290 -1.193 1.00 64.44 H new ATOM 0 HD23 LEU A 511 1.623 0.224 -1.988 1.00 64.44 H new ATOM 981 N ILE A 512 -1.674 -3.321 -3.861 1.00 13.52 N ATOM 982 CA ILE A 512 -1.286 -4.266 -4.929 1.00 11.30 C ATOM 983 C ILE A 512 -0.439 -3.577 -5.982 1.00 74.54 C ATOM 984 O ILE A 512 0.611 -4.096 -6.403 1.00 52.24 O ATOM 985 CB ILE A 512 -2.540 -4.872 -5.613 1.00 45.52 C ATOM 986 CG1 ILE A 512 -3.410 -5.664 -4.626 1.00 50.22 C ATOM 987 CG2 ILE A 512 -2.165 -5.743 -6.818 1.00 54.32 C ATOM 988 CD1 ILE A 512 -2.765 -6.922 -4.098 1.00 4.31 C ATOM 0 H ILE A 512 -2.451 -2.708 -4.108 1.00 13.52 H new ATOM 0 HA ILE A 512 -0.706 -5.062 -4.462 1.00 11.30 H new ATOM 0 HB ILE A 512 -3.130 -4.030 -5.975 1.00 45.52 H new ATOM 0 HG12 ILE A 512 -3.663 -5.019 -3.784 1.00 50.22 H new ATOM 0 HG13 ILE A 512 -4.346 -5.929 -5.117 1.00 50.22 H new ATOM 0 HG21 ILE A 512 -3.070 -6.149 -7.269 1.00 54.32 H new ATOM 0 HG22 ILE A 512 -1.633 -5.138 -7.552 1.00 54.32 H new ATOM 0 HG23 ILE A 512 -1.525 -6.562 -6.490 1.00 54.32 H new ATOM 0 HD11 ILE A 512 -3.447 -7.419 -3.409 1.00 4.31 H new ATOM 0 HD12 ILE A 512 -2.538 -7.590 -4.928 1.00 4.31 H new ATOM 0 HD13 ILE A 512 -1.843 -6.666 -3.575 1.00 4.31 H new ATOM 1000 N GLU A 513 -0.893 -2.437 -6.420 1.00 22.42 N ATOM 1001 CA GLU A 513 -0.191 -1.670 -7.401 1.00 43.03 C ATOM 1002 C GLU A 513 -0.617 -0.227 -7.294 1.00 22.32 C ATOM 1003 O GLU A 513 -1.746 0.063 -6.893 1.00 62.44 O ATOM 1004 CB GLU A 513 -0.439 -2.214 -8.823 1.00 43.21 C ATOM 1005 CG GLU A 513 -1.874 -2.164 -9.272 1.00 30.33 C ATOM 1006 CD GLU A 513 -2.043 -2.532 -10.713 1.00 15.15 C ATOM 1007 OE1 GLU A 513 -1.884 -1.642 -11.576 1.00 30.31 O ATOM 1008 OE2 GLU A 513 -2.344 -3.707 -11.015 1.00 33.42 O ATOM 0 H GLU A 513 -1.765 -2.014 -6.103 1.00 22.42 H new ATOM 0 HA GLU A 513 0.880 -1.747 -7.212 1.00 43.03 H new ATOM 0 HB2 GLU A 513 0.168 -1.644 -9.527 1.00 43.21 H new ATOM 0 HB3 GLU A 513 -0.094 -3.247 -8.868 1.00 43.21 H new ATOM 0 HG2 GLU A 513 -2.466 -2.841 -8.657 1.00 30.33 H new ATOM 0 HG3 GLU A 513 -2.266 -1.160 -9.109 1.00 30.33 H new ATOM 1015 N VAL A 514 0.266 0.667 -7.612 1.00 73.14 N ATOM 1016 CA VAL A 514 -0.025 2.041 -7.570 1.00 51.21 C ATOM 1017 C VAL A 514 0.556 2.728 -8.801 1.00 24.31 C ATOM 1018 O VAL A 514 1.675 2.446 -9.219 1.00 64.32 O ATOM 1019 CB VAL A 514 0.429 2.707 -6.222 1.00 21.31 C ATOM 1020 CG1 VAL A 514 1.886 2.491 -5.954 1.00 64.22 C ATOM 1021 CG2 VAL A 514 0.125 4.179 -6.206 1.00 52.02 C ATOM 0 H VAL A 514 1.216 0.447 -7.910 1.00 73.14 H new ATOM 0 HA VAL A 514 -1.107 2.168 -7.596 1.00 51.21 H new ATOM 0 HB VAL A 514 -0.141 2.221 -5.431 1.00 21.31 H new ATOM 0 HG11 VAL A 514 2.157 2.968 -5.012 1.00 64.22 H new ATOM 0 HG12 VAL A 514 2.090 1.422 -5.891 1.00 64.22 H new ATOM 0 HG13 VAL A 514 2.473 2.925 -6.763 1.00 64.22 H new ATOM 0 HG21 VAL A 514 0.452 4.608 -5.259 1.00 52.02 H new ATOM 0 HG22 VAL A 514 0.650 4.668 -7.026 1.00 52.02 H new ATOM 0 HG23 VAL A 514 -0.948 4.330 -6.321 1.00 52.02 H new ATOM 1031 N ASN A 515 -0.267 3.567 -9.393 1.00 41.42 N ATOM 1032 CA ASN A 515 -0.007 4.348 -10.579 1.00 12.42 C ATOM 1033 C ASN A 515 0.350 3.482 -11.802 1.00 14.02 C ATOM 1034 O ASN A 515 0.947 3.956 -12.768 1.00 33.32 O ATOM 1035 CB ASN A 515 1.052 5.377 -10.287 1.00 53.14 C ATOM 1036 CG ASN A 515 0.743 6.667 -10.953 1.00 12.04 C ATOM 1037 OD1 ASN A 515 1.051 7.721 -10.294 1.00 13.31 O flip ATOM 1038 ND2 ASN A 515 0.185 6.718 -12.046 1.00 12.50 N flip ATOM 0 H ASN A 515 -1.205 3.732 -9.028 1.00 41.42 H new ATOM 0 HA ASN A 515 -0.930 4.861 -10.850 1.00 12.42 H new ATOM 0 HB2 ASN A 515 1.128 5.529 -9.210 1.00 53.14 H new ATOM 0 HB3 ASN A 515 2.021 5.012 -10.627 1.00 53.14 H new ATOM 0 HD21 ASN A 515 -0.045 5.857 -12.542 1.00 12.50 H new ATOM 0 HD22 ASN A 515 -0.048 7.622 -12.458 1.00 12.50 H new ATOM 1045 N GLY A 516 -0.073 2.235 -11.772 1.00 63.24 N ATOM 1046 CA GLY A 516 0.175 1.336 -12.879 1.00 2.30 C ATOM 1047 C GLY A 516 1.472 0.592 -12.737 1.00 53.35 C ATOM 1048 O GLY A 516 1.977 0.015 -13.699 1.00 10.13 O ATOM 0 H GLY A 516 -0.589 1.822 -10.995 1.00 63.24 H new ATOM 0 HA2 GLY A 516 -0.644 0.621 -12.952 1.00 2.30 H new ATOM 0 HA3 GLY A 516 0.186 1.904 -13.809 1.00 2.30 H new ATOM 1052 N VAL A 517 2.023 0.603 -11.550 1.00 40.30 N ATOM 1053 CA VAL A 517 3.269 -0.079 -11.290 1.00 21.44 C ATOM 1054 C VAL A 517 3.052 -1.220 -10.295 1.00 54.34 C ATOM 1055 O VAL A 517 2.432 -1.028 -9.248 1.00 23.05 O ATOM 1056 CB VAL A 517 4.349 0.905 -10.765 1.00 54.31 C ATOM 1057 CG1 VAL A 517 5.661 0.194 -10.510 1.00 71.14 C ATOM 1058 CG2 VAL A 517 4.557 2.042 -11.753 1.00 24.22 C ATOM 0 H VAL A 517 1.626 1.080 -10.741 1.00 40.30 H new ATOM 0 HA VAL A 517 3.628 -0.498 -12.230 1.00 21.44 H new ATOM 0 HB VAL A 517 3.994 1.315 -9.820 1.00 54.31 H new ATOM 0 HG11 VAL A 517 6.397 0.909 -10.143 1.00 71.14 H new ATOM 0 HG12 VAL A 517 5.512 -0.588 -9.765 1.00 71.14 H new ATOM 0 HG13 VAL A 517 6.019 -0.252 -11.438 1.00 71.14 H new ATOM 0 HG21 VAL A 517 5.317 2.723 -11.370 1.00 24.22 H new ATOM 0 HG22 VAL A 517 4.883 1.637 -12.711 1.00 24.22 H new ATOM 0 HG23 VAL A 517 3.620 2.583 -11.888 1.00 24.22 H new ATOM 1068 N ASP A 518 3.571 -2.389 -10.634 1.00 21.13 N ATOM 1069 CA ASP A 518 3.424 -3.603 -9.822 1.00 11.23 C ATOM 1070 C ASP A 518 4.405 -3.589 -8.673 1.00 21.43 C ATOM 1071 O ASP A 518 5.600 -3.366 -8.872 1.00 70.02 O ATOM 1072 CB ASP A 518 3.646 -4.854 -10.679 1.00 23.11 C ATOM 1073 CG ASP A 518 3.596 -6.138 -9.872 1.00 4.33 C ATOM 1074 OD1 ASP A 518 4.655 -6.573 -9.358 1.00 50.24 O ATOM 1075 OD2 ASP A 518 2.508 -6.725 -9.744 1.00 2.02 O ATOM 0 H ASP A 518 4.112 -2.531 -11.487 1.00 21.13 H new ATOM 0 HA ASP A 518 2.410 -3.626 -9.423 1.00 11.23 H new ATOM 0 HB2 ASP A 518 2.887 -4.892 -11.461 1.00 23.11 H new ATOM 0 HB3 ASP A 518 4.613 -4.781 -11.177 1.00 23.11 H new ATOM 1080 N LEU A 519 3.913 -3.844 -7.485 1.00 4.10 N ATOM 1081 CA LEU A 519 4.732 -3.763 -6.274 1.00 23.32 C ATOM 1082 C LEU A 519 5.255 -5.118 -5.912 1.00 61.01 C ATOM 1083 O LEU A 519 6.333 -5.260 -5.349 1.00 72.32 O ATOM 1084 CB LEU A 519 3.867 -3.356 -5.119 1.00 14.31 C ATOM 1085 CG LEU A 519 2.833 -2.310 -5.387 1.00 2.40 C ATOM 1086 CD1 LEU A 519 2.074 -2.012 -4.138 1.00 72.23 C ATOM 1087 CD2 LEU A 519 3.419 -1.073 -5.990 1.00 14.03 C ATOM 0 H LEU A 519 2.943 -4.112 -7.318 1.00 4.10 H new ATOM 0 HA LEU A 519 5.539 -3.056 -6.464 1.00 23.32 H new ATOM 0 HB2 LEU A 519 3.361 -4.245 -4.744 1.00 14.31 H new ATOM 0 HB3 LEU A 519 4.515 -2.996 -4.320 1.00 14.31 H new ATOM 0 HG LEU A 519 2.139 -2.705 -6.128 1.00 2.40 H new ATOM 0 HD11 LEU A 519 1.323 -1.249 -4.342 1.00 72.23 H new ATOM 0 HD12 LEU A 519 1.583 -2.919 -3.785 1.00 72.23 H new ATOM 0 HD13 LEU A 519 2.760 -1.650 -3.373 1.00 72.23 H new ATOM 0 HD21 LEU A 519 2.628 -0.344 -6.166 1.00 14.03 H new ATOM 0 HD22 LEU A 519 4.157 -0.650 -5.308 1.00 14.03 H new ATOM 0 HD23 LEU A 519 3.900 -1.322 -6.936 1.00 14.03 H new ATOM 1099 N VAL A 520 4.472 -6.101 -6.257 1.00 63.14 N ATOM 1100 CA VAL A 520 4.679 -7.469 -5.864 1.00 64.44 C ATOM 1101 C VAL A 520 6.036 -8.003 -6.333 1.00 42.13 C ATOM 1102 O VAL A 520 6.682 -8.785 -5.629 1.00 61.33 O ATOM 1103 CB VAL A 520 3.508 -8.339 -6.382 1.00 33.23 C ATOM 1104 CG1 VAL A 520 3.650 -9.790 -5.952 1.00 3.11 C ATOM 1105 CG2 VAL A 520 2.180 -7.753 -5.888 1.00 53.03 C ATOM 0 H VAL A 520 3.645 -5.969 -6.839 1.00 63.14 H new ATOM 0 HA VAL A 520 4.696 -7.517 -4.775 1.00 64.44 H new ATOM 0 HB VAL A 520 3.527 -8.327 -7.472 1.00 33.23 H new ATOM 0 HG11 VAL A 520 2.809 -10.367 -6.335 1.00 3.11 H new ATOM 0 HG12 VAL A 520 4.580 -10.198 -6.348 1.00 3.11 H new ATOM 0 HG13 VAL A 520 3.663 -9.847 -4.864 1.00 3.11 H new ATOM 0 HG21 VAL A 520 1.355 -8.365 -6.252 1.00 53.03 H new ATOM 0 HG22 VAL A 520 2.170 -7.742 -4.798 1.00 53.03 H new ATOM 0 HG23 VAL A 520 2.070 -6.735 -6.262 1.00 53.03 H new ATOM 1115 N GLY A 521 6.472 -7.558 -7.491 1.00 50.22 N ATOM 1116 CA GLY A 521 7.754 -7.972 -8.010 1.00 2.35 C ATOM 1117 C GLY A 521 8.870 -6.955 -7.781 1.00 51.21 C ATOM 1118 O GLY A 521 9.884 -6.988 -8.478 1.00 32.33 O ATOM 0 H GLY A 521 5.958 -6.911 -8.089 1.00 50.22 H new ATOM 0 HA2 GLY A 521 8.035 -8.917 -7.545 1.00 2.35 H new ATOM 0 HA3 GLY A 521 7.659 -8.159 -9.080 1.00 2.35 H new ATOM 1122 N LYS A 522 8.700 -6.057 -6.823 1.00 53.55 N ATOM 1123 CA LYS A 522 9.733 -5.070 -6.527 1.00 13.43 C ATOM 1124 C LYS A 522 9.912 -4.867 -5.036 1.00 44.00 C ATOM 1125 O LYS A 522 9.250 -5.510 -4.244 1.00 44.32 O ATOM 1126 CB LYS A 522 9.485 -3.743 -7.228 1.00 44.22 C ATOM 1127 CG LYS A 522 8.162 -3.069 -6.929 1.00 34.10 C ATOM 1128 CD LYS A 522 8.096 -1.626 -7.455 1.00 70.02 C ATOM 1129 CE LYS A 522 8.211 -1.482 -8.989 1.00 1.32 C ATOM 1130 NZ LYS A 522 9.528 -1.890 -9.560 1.00 3.01 N ATOM 0 H LYS A 522 7.865 -5.989 -6.241 1.00 53.55 H new ATOM 0 HA LYS A 522 10.663 -5.478 -6.923 1.00 13.43 H new ATOM 0 HB2 LYS A 522 10.288 -3.057 -6.958 1.00 44.22 H new ATOM 0 HB3 LYS A 522 9.552 -3.905 -8.304 1.00 44.22 H new ATOM 0 HG2 LYS A 522 7.355 -3.650 -7.374 1.00 34.10 H new ATOM 0 HG3 LYS A 522 7.996 -3.066 -5.852 1.00 34.10 H new ATOM 0 HD2 LYS A 522 7.154 -1.181 -7.133 1.00 70.02 H new ATOM 0 HD3 LYS A 522 8.896 -1.049 -6.990 1.00 70.02 H new ATOM 0 HE2 LYS A 522 7.428 -2.080 -9.455 1.00 1.32 H new ATOM 0 HE3 LYS A 522 8.021 -0.443 -9.257 1.00 1.32 H new ATOM 0 HZ1 LYS A 522 9.827 -1.196 -10.275 1.00 3.01 H new ATOM 0 HZ2 LYS A 522 10.237 -1.932 -8.801 1.00 3.01 H new ATOM 0 HZ3 LYS A 522 9.439 -2.827 -10.003 1.00 3.01 H new ATOM 1144 N SER A 523 10.819 -3.993 -4.663 1.00 63.51 N ATOM 1145 CA SER A 523 11.100 -3.749 -3.267 1.00 14.23 C ATOM 1146 C SER A 523 10.246 -2.587 -2.713 1.00 12.54 C ATOM 1147 O SER A 523 9.703 -1.780 -3.481 1.00 22.11 O ATOM 1148 CB SER A 523 12.594 -3.486 -3.091 1.00 32.40 C ATOM 1149 OG SER A 523 13.352 -4.575 -3.612 1.00 4.41 O ATOM 0 H SER A 523 11.377 -3.437 -5.311 1.00 63.51 H new ATOM 0 HA SER A 523 10.830 -4.634 -2.690 1.00 14.23 H new ATOM 0 HB2 SER A 523 12.871 -2.564 -3.602 1.00 32.40 H new ATOM 0 HB3 SER A 523 12.824 -3.346 -2.035 1.00 32.40 H new ATOM 0 HG SER A 523 14.308 -4.394 -3.495 1.00 4.41 H new ATOM 1155 N GLN A 524 10.167 -2.507 -1.386 1.00 34.14 N ATOM 1156 CA GLN A 524 9.327 -1.546 -0.664 1.00 75.13 C ATOM 1157 C GLN A 524 9.719 -0.113 -1.019 1.00 32.54 C ATOM 1158 O GLN A 524 8.858 0.732 -1.279 1.00 71.12 O ATOM 1159 CB GLN A 524 9.514 -1.742 0.842 1.00 64.11 C ATOM 1160 CG GLN A 524 8.455 -1.104 1.713 1.00 53.32 C ATOM 1161 CD GLN A 524 7.125 -1.793 1.559 1.00 2.20 C ATOM 1162 OE1 GLN A 524 7.064 -2.957 1.243 1.00 72.02 O ATOM 1163 NE2 GLN A 524 6.067 -1.111 1.849 1.00 52.01 N ATOM 0 H GLN A 524 10.696 -3.121 -0.767 1.00 34.14 H new ATOM 0 HA GLN A 524 8.288 -1.715 -0.947 1.00 75.13 H new ATOM 0 HB2 GLN A 524 9.538 -2.811 1.052 1.00 64.11 H new ATOM 0 HB3 GLN A 524 10.486 -1.339 1.126 1.00 64.11 H new ATOM 0 HG2 GLN A 524 8.768 -1.144 2.756 1.00 53.32 H new ATOM 0 HG3 GLN A 524 8.353 -0.051 1.451 1.00 53.32 H new ATOM 0 HE21 GLN A 524 6.150 -0.129 2.113 1.00 52.01 H new ATOM 0 HE22 GLN A 524 5.149 -1.554 1.814 1.00 52.01 H new ATOM 1172 N GLU A 525 11.025 0.153 -1.039 1.00 64.12 N ATOM 1173 CA GLU A 525 11.533 1.494 -1.338 1.00 35.51 C ATOM 1174 C GLU A 525 11.166 1.961 -2.733 1.00 12.52 C ATOM 1175 O GLU A 525 10.953 3.156 -2.967 1.00 21.32 O ATOM 1176 CB GLU A 525 13.023 1.611 -1.122 1.00 33.54 C ATOM 1177 CG GLU A 525 13.450 1.478 0.319 1.00 63.22 C ATOM 1178 CD GLU A 525 14.916 1.733 0.481 1.00 32.41 C ATOM 1179 OE1 GLU A 525 15.360 2.867 0.206 1.00 12.21 O ATOM 1180 OE2 GLU A 525 15.650 0.817 0.911 1.00 3.13 O ATOM 0 H GLU A 525 11.750 -0.540 -0.852 1.00 64.12 H new ATOM 0 HA GLU A 525 11.038 2.153 -0.625 1.00 35.51 H new ATOM 0 HB2 GLU A 525 13.526 0.844 -1.711 1.00 33.54 H new ATOM 0 HB3 GLU A 525 13.359 2.576 -1.502 1.00 33.54 H new ATOM 0 HG2 GLU A 525 12.887 2.181 0.933 1.00 63.22 H new ATOM 0 HG3 GLU A 525 13.211 0.478 0.680 1.00 63.22 H new ATOM 1187 N GLU A 526 11.075 1.032 -3.651 1.00 1.50 N ATOM 1188 CA GLU A 526 10.679 1.351 -5.001 1.00 14.00 C ATOM 1189 C GLU A 526 9.259 1.880 -5.004 1.00 64.41 C ATOM 1190 O GLU A 526 8.925 2.809 -5.748 1.00 13.25 O ATOM 1191 CB GLU A 526 10.765 0.128 -5.879 1.00 25.32 C ATOM 1192 CG GLU A 526 12.159 -0.412 -6.071 1.00 30.53 C ATOM 1193 CD GLU A 526 12.162 -1.638 -6.931 1.00 41.32 C ATOM 1194 OE1 GLU A 526 11.781 -1.545 -8.115 1.00 2.11 O ATOM 1195 OE2 GLU A 526 12.513 -2.726 -6.421 1.00 11.22 O ATOM 0 H GLU A 526 11.271 0.044 -3.488 1.00 1.50 H new ATOM 0 HA GLU A 526 11.354 2.112 -5.393 1.00 14.00 H new ATOM 0 HB2 GLU A 526 10.142 -0.656 -5.449 1.00 25.32 H new ATOM 0 HB3 GLU A 526 10.345 0.368 -6.856 1.00 25.32 H new ATOM 0 HG2 GLU A 526 12.787 0.354 -6.526 1.00 30.53 H new ATOM 0 HG3 GLU A 526 12.596 -0.647 -5.100 1.00 30.53 H new ATOM 1202 N VAL A 527 8.438 1.311 -4.145 1.00 44.01 N ATOM 1203 CA VAL A 527 7.059 1.708 -4.045 1.00 31.02 C ATOM 1204 C VAL A 527 6.969 3.065 -3.352 1.00 74.44 C ATOM 1205 O VAL A 527 6.150 3.903 -3.719 1.00 31.52 O ATOM 1206 CB VAL A 527 6.211 0.686 -3.247 1.00 34.21 C ATOM 1207 CG1 VAL A 527 4.729 1.004 -3.357 1.00 12.50 C ATOM 1208 CG2 VAL A 527 6.511 -0.750 -3.649 1.00 13.24 C ATOM 0 H VAL A 527 8.710 0.566 -3.503 1.00 44.01 H new ATOM 0 HA VAL A 527 6.662 1.761 -5.059 1.00 31.02 H new ATOM 0 HB VAL A 527 6.495 0.779 -2.199 1.00 34.21 H new ATOM 0 HG11 VAL A 527 4.156 0.272 -2.788 1.00 12.50 H new ATOM 0 HG12 VAL A 527 4.540 2.001 -2.959 1.00 12.50 H new ATOM 0 HG13 VAL A 527 4.426 0.968 -4.403 1.00 12.50 H new ATOM 0 HG21 VAL A 527 5.892 -1.429 -3.062 1.00 13.24 H new ATOM 0 HG22 VAL A 527 6.293 -0.884 -4.708 1.00 13.24 H new ATOM 0 HG23 VAL A 527 7.563 -0.967 -3.465 1.00 13.24 H new ATOM 1218 N VAL A 528 7.842 3.296 -2.365 1.00 33.54 N ATOM 1219 CA VAL A 528 7.792 4.564 -1.639 1.00 24.41 C ATOM 1220 C VAL A 528 8.235 5.717 -2.519 1.00 63.02 C ATOM 1221 O VAL A 528 7.659 6.771 -2.471 1.00 63.15 O ATOM 1222 CB VAL A 528 8.565 4.593 -0.283 1.00 34.31 C ATOM 1223 CG1 VAL A 528 8.160 3.473 0.649 1.00 14.00 C ATOM 1224 CG2 VAL A 528 10.071 4.699 -0.434 1.00 54.34 C ATOM 0 H VAL A 528 8.566 2.646 -2.060 1.00 33.54 H new ATOM 0 HA VAL A 528 6.741 4.677 -1.373 1.00 24.41 H new ATOM 0 HB VAL A 528 8.255 5.524 0.192 1.00 34.31 H new ATOM 0 HG11 VAL A 528 8.731 3.546 1.575 1.00 14.00 H new ATOM 0 HG12 VAL A 528 7.096 3.552 0.872 1.00 14.00 H new ATOM 0 HG13 VAL A 528 8.361 2.513 0.173 1.00 14.00 H new ATOM 0 HG21 VAL A 528 10.535 4.713 0.552 1.00 54.34 H new ATOM 0 HG22 VAL A 528 10.441 3.842 -0.997 1.00 54.34 H new ATOM 0 HG23 VAL A 528 10.320 5.618 -0.966 1.00 54.34 H new ATOM 1234 N SER A 529 9.248 5.491 -3.327 1.00 52.12 N ATOM 1235 CA SER A 529 9.735 6.503 -4.257 1.00 43.10 C ATOM 1236 C SER A 529 8.628 6.857 -5.262 1.00 32.40 C ATOM 1237 O SER A 529 8.370 8.036 -5.544 1.00 64.05 O ATOM 1238 CB SER A 529 10.991 6.003 -4.978 1.00 25.54 C ATOM 1239 OG SER A 529 11.516 6.997 -5.835 1.00 20.11 O ATOM 0 H SER A 529 9.759 4.609 -3.363 1.00 52.12 H new ATOM 0 HA SER A 529 10.002 7.403 -3.703 1.00 43.10 H new ATOM 0 HB2 SER A 529 11.745 5.716 -4.245 1.00 25.54 H new ATOM 0 HB3 SER A 529 10.751 5.110 -5.556 1.00 25.54 H new ATOM 0 HG SER A 529 12.318 6.653 -6.282 1.00 20.11 H new ATOM 1245 N LEU A 530 7.957 5.818 -5.746 1.00 3.44 N ATOM 1246 CA LEU A 530 6.820 5.911 -6.636 1.00 22.24 C ATOM 1247 C LEU A 530 5.726 6.772 -5.979 1.00 4.34 C ATOM 1248 O LEU A 530 5.113 7.639 -6.613 1.00 32.23 O ATOM 1249 CB LEU A 530 6.369 4.458 -6.873 1.00 23.24 C ATOM 1250 CG LEU A 530 5.043 4.164 -7.545 1.00 41.30 C ATOM 1251 CD1 LEU A 530 4.944 4.753 -8.932 1.00 12.42 C ATOM 1252 CD2 LEU A 530 4.839 2.666 -7.604 1.00 61.31 C ATOM 0 H LEU A 530 8.204 4.855 -5.517 1.00 3.44 H new ATOM 0 HA LEU A 530 7.053 6.391 -7.586 1.00 22.24 H new ATOM 0 HB2 LEU A 530 7.145 3.973 -7.466 1.00 23.24 H new ATOM 0 HB3 LEU A 530 6.354 3.963 -5.902 1.00 23.24 H new ATOM 0 HG LEU A 530 4.261 4.635 -6.949 1.00 41.30 H new ATOM 0 HD11 LEU A 530 3.973 4.509 -9.362 1.00 12.42 H new ATOM 0 HD12 LEU A 530 5.055 5.836 -8.876 1.00 12.42 H new ATOM 0 HD13 LEU A 530 5.733 4.339 -9.560 1.00 12.42 H new ATOM 0 HD21 LEU A 530 3.886 2.447 -8.087 1.00 61.31 H new ATOM 0 HD22 LEU A 530 5.648 2.211 -8.175 1.00 61.31 H new ATOM 0 HD23 LEU A 530 4.835 2.259 -6.593 1.00 61.31 H new ATOM 1264 N LEU A 531 5.538 6.546 -4.705 1.00 22.04 N ATOM 1265 CA LEU A 531 4.620 7.285 -3.886 1.00 10.04 C ATOM 1266 C LEU A 531 5.071 8.737 -3.656 1.00 73.12 C ATOM 1267 O LEU A 531 4.266 9.675 -3.764 1.00 34.14 O ATOM 1268 CB LEU A 531 4.404 6.510 -2.570 1.00 13.12 C ATOM 1269 CG LEU A 531 3.726 7.226 -1.413 1.00 72.21 C ATOM 1270 CD1 LEU A 531 3.061 6.207 -0.535 1.00 33.31 C ATOM 1271 CD2 LEU A 531 4.761 7.940 -0.559 1.00 11.42 C ATOM 0 H LEU A 531 6.038 5.818 -4.195 1.00 22.04 H new ATOM 0 HA LEU A 531 3.666 7.373 -4.406 1.00 10.04 H new ATOM 0 HB2 LEU A 531 3.817 5.621 -2.801 1.00 13.12 H new ATOM 0 HB3 LEU A 531 5.379 6.167 -2.223 1.00 13.12 H new ATOM 0 HG LEU A 531 3.009 7.940 -1.818 1.00 72.21 H new ATOM 0 HD11 LEU A 531 2.571 6.710 0.299 1.00 33.31 H new ATOM 0 HD12 LEU A 531 2.319 5.657 -1.114 1.00 33.31 H new ATOM 0 HD13 LEU A 531 3.809 5.513 -0.152 1.00 33.31 H new ATOM 0 HD21 LEU A 531 4.263 8.449 0.266 1.00 11.42 H new ATOM 0 HD22 LEU A 531 5.470 7.213 -0.162 1.00 11.42 H new ATOM 0 HD23 LEU A 531 5.293 8.671 -1.168 1.00 11.42 H new ATOM 1283 N ARG A 532 6.339 8.918 -3.347 1.00 1.41 N ATOM 1284 CA ARG A 532 6.884 10.239 -3.060 1.00 71.14 C ATOM 1285 C ARG A 532 6.758 11.148 -4.285 1.00 73.14 C ATOM 1286 O ARG A 532 6.353 12.301 -4.168 1.00 72.43 O ATOM 1287 CB ARG A 532 8.360 10.162 -2.603 1.00 32.45 C ATOM 1288 CG ARG A 532 8.647 9.372 -1.303 1.00 24.40 C ATOM 1289 CD ARG A 532 8.245 10.087 0.008 1.00 32.41 C ATOM 1290 NE ARG A 532 6.799 10.377 0.162 1.00 64.33 N ATOM 1291 CZ ARG A 532 6.212 10.760 1.330 1.00 25.14 C ATOM 1292 NH1 ARG A 532 6.948 10.907 2.440 1.00 42.52 N ATOM 1293 NH2 ARG A 532 4.898 10.994 1.376 1.00 3.25 N ATOM 0 H ARG A 532 7.021 8.162 -3.287 1.00 1.41 H new ATOM 0 HA ARG A 532 6.303 10.662 -2.241 1.00 71.14 H new ATOM 0 HB2 ARG A 532 8.942 9.714 -3.408 1.00 32.45 H new ATOM 0 HB3 ARG A 532 8.728 11.179 -2.471 1.00 32.45 H new ATOM 0 HG2 ARG A 532 8.121 8.419 -1.353 1.00 24.40 H new ATOM 0 HG3 ARG A 532 9.713 9.146 -1.262 1.00 24.40 H new ATOM 0 HD2 ARG A 532 8.566 9.472 0.849 1.00 32.41 H new ATOM 0 HD3 ARG A 532 8.794 11.026 0.072 1.00 32.41 H new ATOM 0 HE ARG A 532 6.204 10.283 -0.661 1.00 64.33 H new ATOM 0 HH11 ARG A 532 7.952 10.732 2.413 1.00 42.52 H new ATOM 0 HH12 ARG A 532 6.504 11.194 3.312 1.00 42.52 H new ATOM 0 HH21 ARG A 532 4.331 10.886 0.535 1.00 3.25 H new ATOM 0 HH22 ARG A 532 4.461 11.281 2.252 1.00 3.25 H new ATOM 1307 N SER A 533 7.079 10.607 -5.451 1.00 71.04 N ATOM 1308 CA SER A 533 6.993 11.354 -6.691 1.00 30.34 C ATOM 1309 C SER A 533 5.528 11.657 -7.066 1.00 30.00 C ATOM 1310 O SER A 533 5.235 12.694 -7.658 1.00 61.31 O ATOM 1311 CB SER A 533 7.686 10.582 -7.816 1.00 63.33 C ATOM 1312 OG SER A 533 9.058 10.330 -7.500 1.00 1.24 O ATOM 0 H SER A 533 7.403 9.646 -5.561 1.00 71.04 H new ATOM 0 HA SER A 533 7.500 12.308 -6.548 1.00 30.34 H new ATOM 0 HB2 SER A 533 7.169 9.637 -7.985 1.00 63.33 H new ATOM 0 HB3 SER A 533 7.622 11.150 -8.744 1.00 63.33 H new ATOM 0 HG SER A 533 9.115 9.596 -6.853 1.00 1.24 H new ATOM 1318 N THR A 534 4.625 10.746 -6.708 1.00 22.22 N ATOM 1319 CA THR A 534 3.201 10.885 -6.990 1.00 55.55 C ATOM 1320 C THR A 534 2.913 10.773 -8.509 1.00 13.44 C ATOM 1321 O THR A 534 2.835 9.657 -9.040 1.00 22.14 O ATOM 1322 CB THR A 534 2.604 12.200 -6.377 1.00 12.32 C ATOM 1323 OG1 THR A 534 2.884 12.229 -4.965 1.00 53.30 O ATOM 1324 CG2 THR A 534 1.080 12.318 -6.596 1.00 20.00 C ATOM 0 H THR A 534 4.864 9.887 -6.212 1.00 22.22 H new ATOM 0 HA THR A 534 2.693 10.054 -6.500 1.00 55.55 H new ATOM 0 HB THR A 534 3.072 13.043 -6.886 1.00 12.32 H new ATOM 0 HG1 THR A 534 3.237 11.359 -4.684 1.00 53.30 H new ATOM 0 HG21 THR A 534 0.719 13.246 -6.152 1.00 20.00 H new ATOM 0 HG22 THR A 534 0.865 12.319 -7.665 1.00 20.00 H new ATOM 0 HG23 THR A 534 0.578 11.472 -6.126 1.00 20.00 H new ATOM 1332 N LYS A 535 2.839 11.921 -9.195 1.00 74.04 N ATOM 1333 CA LYS A 535 2.541 12.016 -10.624 1.00 64.12 C ATOM 1334 C LYS A 535 2.288 13.485 -10.941 1.00 42.33 C ATOM 1335 O LYS A 535 1.664 14.187 -10.135 1.00 71.42 O ATOM 1336 CB LYS A 535 1.281 11.195 -10.981 1.00 72.10 C ATOM 1337 CG LYS A 535 0.983 11.099 -12.441 1.00 44.02 C ATOM 1338 CD LYS A 535 -0.244 10.256 -12.675 1.00 13.45 C ATOM 1339 CE LYS A 535 -0.464 10.042 -14.132 1.00 53.13 C ATOM 1340 NZ LYS A 535 -1.713 9.306 -14.410 1.00 24.42 N ATOM 0 H LYS A 535 2.989 12.830 -8.758 1.00 74.04 H new ATOM 0 HA LYS A 535 3.376 11.621 -11.202 1.00 64.12 H new ATOM 0 HB2 LYS A 535 1.397 10.187 -10.582 1.00 72.10 H new ATOM 0 HB3 LYS A 535 0.422 11.639 -10.479 1.00 72.10 H new ATOM 0 HG2 LYS A 535 0.830 12.096 -12.853 1.00 44.02 H new ATOM 0 HG3 LYS A 535 1.835 10.665 -12.964 1.00 44.02 H new ATOM 0 HD2 LYS A 535 -0.132 9.295 -12.174 1.00 13.45 H new ATOM 0 HD3 LYS A 535 -1.115 10.744 -12.238 1.00 13.45 H new ATOM 0 HE2 LYS A 535 -0.494 11.007 -14.638 1.00 53.13 H new ATOM 0 HE3 LYS A 535 0.380 9.491 -14.547 1.00 53.13 H new ATOM 0 HZ1 LYS A 535 -1.596 8.738 -15.273 1.00 24.42 H new ATOM 0 HZ2 LYS A 535 -1.932 8.679 -13.610 1.00 24.42 H new ATOM 0 HZ3 LYS A 535 -2.492 9.982 -14.543 1.00 24.42 H new ATOM 1354 N MET A 536 2.754 13.950 -12.085 1.00 34.01 N ATOM 1355 CA MET A 536 2.577 15.357 -12.467 1.00 25.31 C ATOM 1356 C MET A 536 1.116 15.679 -12.762 1.00 1.33 C ATOM 1357 O MET A 536 0.660 16.799 -12.527 1.00 71.43 O ATOM 1358 CB MET A 536 3.463 15.727 -13.653 1.00 61.44 C ATOM 1359 CG MET A 536 4.951 15.612 -13.374 1.00 60.43 C ATOM 1360 SD MET A 536 5.961 16.006 -14.814 1.00 62.23 S ATOM 1361 CE MET A 536 5.474 17.701 -15.137 1.00 22.22 C ATOM 0 H MET A 536 3.257 13.385 -12.769 1.00 34.01 H new ATOM 0 HA MET A 536 2.885 15.962 -11.614 1.00 25.31 H new ATOM 0 HB2 MET A 536 3.211 15.083 -14.496 1.00 61.44 H new ATOM 0 HB3 MET A 536 3.239 16.750 -13.955 1.00 61.44 H new ATOM 0 HG2 MET A 536 5.216 16.281 -12.555 1.00 60.43 H new ATOM 0 HG3 MET A 536 5.177 14.598 -13.043 1.00 60.43 H new ATOM 0 HE1 MET A 536 6.210 18.174 -15.787 1.00 22.22 H new ATOM 0 HE2 MET A 536 4.499 17.713 -15.624 1.00 22.22 H new ATOM 0 HE3 MET A 536 5.416 18.248 -14.196 1.00 22.22 H new ATOM 1371 N GLU A 537 0.392 14.692 -13.273 1.00 71.21 N ATOM 1372 CA GLU A 537 -1.047 14.812 -13.532 1.00 51.53 C ATOM 1373 C GLU A 537 -1.798 15.123 -12.230 1.00 4.20 C ATOM 1374 O GLU A 537 -2.746 15.915 -12.209 1.00 13.21 O ATOM 1375 CB GLU A 537 -1.567 13.515 -14.152 1.00 52.10 C ATOM 1376 CG GLU A 537 -3.059 13.489 -14.423 1.00 14.14 C ATOM 1377 CD GLU A 537 -3.498 12.181 -15.015 1.00 33.11 C ATOM 1378 OE1 GLU A 537 -3.624 11.200 -14.271 1.00 55.22 O ATOM 1379 OE2 GLU A 537 -3.715 12.110 -16.245 1.00 11.43 O ATOM 0 H GLU A 537 0.781 13.783 -13.522 1.00 71.21 H new ATOM 0 HA GLU A 537 -1.218 15.632 -14.230 1.00 51.53 H new ATOM 0 HB2 GLU A 537 -1.039 13.341 -15.090 1.00 52.10 H new ATOM 0 HB3 GLU A 537 -1.319 12.687 -13.488 1.00 52.10 H new ATOM 0 HG2 GLU A 537 -3.600 13.666 -13.493 1.00 14.14 H new ATOM 0 HG3 GLU A 537 -3.319 14.300 -15.103 1.00 14.14 H new ATOM 1386 N GLY A 538 -1.360 14.510 -11.150 1.00 23.43 N ATOM 1387 CA GLY A 538 -1.944 14.796 -9.873 1.00 74.22 C ATOM 1388 C GLY A 538 -2.726 13.654 -9.285 1.00 63.02 C ATOM 1389 O GLY A 538 -2.806 13.525 -8.071 1.00 25.44 O ATOM 0 H GLY A 538 -0.610 13.819 -11.138 1.00 23.43 H new ATOM 0 HA2 GLY A 538 -1.152 15.076 -9.178 1.00 74.22 H new ATOM 0 HA3 GLY A 538 -2.602 15.660 -9.972 1.00 74.22 H new ATOM 1393 N THR A 539 -3.301 12.824 -10.118 1.00 60.44 N ATOM 1394 CA THR A 539 -4.085 11.721 -9.612 1.00 51.25 C ATOM 1395 C THR A 539 -3.286 10.436 -9.746 1.00 61.44 C ATOM 1396 O THR A 539 -2.618 10.214 -10.751 1.00 52.32 O ATOM 1397 CB THR A 539 -5.412 11.569 -10.357 1.00 61.34 C ATOM 1398 OG1 THR A 539 -6.020 12.863 -10.525 1.00 5.33 O ATOM 1399 CG2 THR A 539 -6.360 10.732 -9.531 1.00 35.34 C ATOM 0 H THR A 539 -3.244 12.887 -11.135 1.00 60.44 H new ATOM 0 HA THR A 539 -4.312 11.927 -8.566 1.00 51.25 H new ATOM 0 HB THR A 539 -5.220 11.101 -11.323 1.00 61.34 H new ATOM 0 HG1 THR A 539 -6.869 12.766 -11.004 1.00 5.33 H new ATOM 0 HG21 THR A 539 -7.306 10.623 -10.061 1.00 35.34 H new ATOM 0 HG22 THR A 539 -5.923 9.748 -9.362 1.00 35.34 H new ATOM 0 HG23 THR A 539 -6.536 11.220 -8.572 1.00 35.34 H new ATOM 1407 N VAL A 540 -3.317 9.641 -8.724 1.00 41.34 N ATOM 1408 CA VAL A 540 -2.621 8.394 -8.686 1.00 12.31 C ATOM 1409 C VAL A 540 -3.614 7.245 -8.510 1.00 10.41 C ATOM 1410 O VAL A 540 -4.564 7.358 -7.739 1.00 3.30 O ATOM 1411 CB VAL A 540 -1.623 8.396 -7.513 1.00 41.44 C ATOM 1412 CG1 VAL A 540 -0.845 7.116 -7.453 1.00 23.13 C ATOM 1413 CG2 VAL A 540 -0.691 9.574 -7.629 1.00 33.41 C ATOM 0 H VAL A 540 -3.840 9.846 -7.872 1.00 41.34 H new ATOM 0 HA VAL A 540 -2.082 8.259 -9.624 1.00 12.31 H new ATOM 0 HB VAL A 540 -2.191 8.481 -6.587 1.00 41.44 H new ATOM 0 HG11 VAL A 540 -0.150 7.151 -6.614 1.00 23.13 H new ATOM 0 HG12 VAL A 540 -1.531 6.279 -7.321 1.00 23.13 H new ATOM 0 HG13 VAL A 540 -0.287 6.985 -8.380 1.00 23.13 H new ATOM 0 HG21 VAL A 540 0.011 9.566 -6.795 1.00 33.41 H new ATOM 0 HG22 VAL A 540 -0.140 9.511 -8.567 1.00 33.41 H new ATOM 0 HG23 VAL A 540 -1.269 10.498 -7.609 1.00 33.41 H new ATOM 1423 N SER A 541 -3.397 6.169 -9.234 1.00 52.32 N ATOM 1424 CA SER A 541 -4.232 4.994 -9.151 1.00 21.50 C ATOM 1425 C SER A 541 -3.690 3.990 -8.121 1.00 60.21 C ATOM 1426 O SER A 541 -2.625 3.448 -8.281 1.00 63.54 O ATOM 1427 CB SER A 541 -4.306 4.323 -10.526 1.00 50.11 C ATOM 1428 OG SER A 541 -4.934 5.152 -11.490 1.00 63.41 O ATOM 0 H SER A 541 -2.630 6.086 -9.901 1.00 52.32 H new ATOM 0 HA SER A 541 -5.226 5.306 -8.830 1.00 21.50 H new ATOM 0 HB2 SER A 541 -3.299 4.075 -10.862 1.00 50.11 H new ATOM 0 HB3 SER A 541 -4.855 3.385 -10.442 1.00 50.11 H new ATOM 0 HG SER A 541 -4.960 4.688 -12.353 1.00 63.41 H new ATOM 1434 N LEU A 542 -4.432 3.778 -7.094 1.00 75.22 N ATOM 1435 CA LEU A 542 -4.133 2.824 -6.044 1.00 74.11 C ATOM 1436 C LEU A 542 -4.989 1.597 -6.276 1.00 11.44 C ATOM 1437 O LEU A 542 -6.202 1.702 -6.315 1.00 33.13 O ATOM 1438 CB LEU A 542 -4.560 3.412 -4.671 1.00 71.02 C ATOM 1439 CG LEU A 542 -3.738 4.557 -4.063 1.00 34.10 C ATOM 1440 CD1 LEU A 542 -2.365 4.080 -3.765 1.00 55.22 C ATOM 1441 CD2 LEU A 542 -3.688 5.791 -4.951 1.00 3.41 C ATOM 0 H LEU A 542 -5.307 4.279 -6.940 1.00 75.22 H new ATOM 0 HA LEU A 542 -3.068 2.594 -6.050 1.00 74.11 H new ATOM 0 HB2 LEU A 542 -5.588 3.761 -4.768 1.00 71.02 H new ATOM 0 HB3 LEU A 542 -4.567 2.594 -3.951 1.00 71.02 H new ATOM 0 HG LEU A 542 -4.237 4.860 -3.143 1.00 34.10 H new ATOM 0 HD11 LEU A 542 -1.783 4.894 -3.333 1.00 55.22 H new ATOM 0 HD12 LEU A 542 -2.413 3.253 -3.057 1.00 55.22 H new ATOM 0 HD13 LEU A 542 -1.889 3.742 -4.686 1.00 55.22 H new ATOM 0 HD21 LEU A 542 -3.093 6.564 -4.466 1.00 3.41 H new ATOM 0 HD22 LEU A 542 -3.236 5.532 -5.909 1.00 3.41 H new ATOM 0 HD23 LEU A 542 -4.700 6.162 -5.116 1.00 3.41 H new ATOM 1453 N LEU A 543 -4.400 0.474 -6.471 1.00 15.44 N ATOM 1454 CA LEU A 543 -5.170 -0.740 -6.562 1.00 50.40 C ATOM 1455 C LEU A 543 -4.878 -1.476 -5.289 1.00 31.33 C ATOM 1456 O LEU A 543 -3.722 -1.836 -5.010 1.00 24.24 O ATOM 1457 CB LEU A 543 -4.764 -1.530 -7.827 1.00 52.14 C ATOM 1458 CG LEU A 543 -5.552 -2.800 -8.275 1.00 32.42 C ATOM 1459 CD1 LEU A 543 -5.421 -3.956 -7.315 1.00 12.14 C ATOM 1460 CD2 LEU A 543 -7.002 -2.488 -8.569 1.00 45.35 C ATOM 0 H LEU A 543 -3.392 0.356 -6.572 1.00 15.44 H new ATOM 0 HA LEU A 543 -6.242 -0.568 -6.663 1.00 50.40 H new ATOM 0 HB2 LEU A 543 -4.789 -0.829 -8.661 1.00 52.14 H new ATOM 0 HB3 LEU A 543 -3.725 -1.831 -7.694 1.00 52.14 H new ATOM 0 HG LEU A 543 -5.084 -3.124 -9.205 1.00 32.42 H new ATOM 0 HD11 LEU A 543 -5.993 -4.805 -7.688 1.00 12.14 H new ATOM 0 HD12 LEU A 543 -4.372 -4.237 -7.225 1.00 12.14 H new ATOM 0 HD13 LEU A 543 -5.803 -3.662 -6.337 1.00 12.14 H new ATOM 0 HD21 LEU A 543 -7.515 -3.399 -8.878 1.00 45.35 H new ATOM 0 HD22 LEU A 543 -7.477 -2.090 -7.673 1.00 45.35 H new ATOM 0 HD23 LEU A 543 -7.060 -1.750 -9.369 1.00 45.35 H new ATOM 1472 N VAL A 544 -5.888 -1.666 -4.519 1.00 21.10 N ATOM 1473 CA VAL A 544 -5.745 -2.224 -3.207 1.00 55.25 C ATOM 1474 C VAL A 544 -6.436 -3.549 -3.092 1.00 12.12 C ATOM 1475 O VAL A 544 -7.284 -3.888 -3.910 1.00 70.10 O ATOM 1476 CB VAL A 544 -6.290 -1.264 -2.113 1.00 51.31 C ATOM 1477 CG1 VAL A 544 -5.499 0.035 -2.088 1.00 30.22 C ATOM 1478 CG2 VAL A 544 -7.775 -0.978 -2.327 1.00 74.10 C ATOM 0 H VAL A 544 -6.849 -1.439 -4.776 1.00 21.10 H new ATOM 0 HA VAL A 544 -4.676 -2.368 -3.049 1.00 55.25 H new ATOM 0 HB VAL A 544 -6.172 -1.758 -1.148 1.00 51.31 H new ATOM 0 HG11 VAL A 544 -5.900 0.690 -1.314 1.00 30.22 H new ATOM 0 HG12 VAL A 544 -4.452 -0.181 -1.875 1.00 30.22 H new ATOM 0 HG13 VAL A 544 -5.578 0.528 -3.057 1.00 30.22 H new ATOM 0 HG21 VAL A 544 -8.132 -0.304 -1.548 1.00 74.10 H new ATOM 0 HG22 VAL A 544 -7.919 -0.514 -3.303 1.00 74.10 H new ATOM 0 HG23 VAL A 544 -8.335 -1.912 -2.283 1.00 74.10 H new ATOM 1488 N PHE A 545 -6.055 -4.283 -2.102 1.00 14.43 N ATOM 1489 CA PHE A 545 -6.632 -5.542 -1.795 1.00 1.40 C ATOM 1490 C PHE A 545 -7.183 -5.485 -0.415 1.00 3.52 C ATOM 1491 O PHE A 545 -6.446 -5.300 0.566 1.00 21.01 O ATOM 1492 CB PHE A 545 -5.614 -6.683 -1.930 1.00 31.11 C ATOM 1493 CG PHE A 545 -6.097 -8.009 -1.382 1.00 42.23 C ATOM 1494 CD1 PHE A 545 -6.937 -8.814 -2.114 1.00 63.34 C ATOM 1495 CD2 PHE A 545 -5.708 -8.433 -0.116 1.00 53.25 C ATOM 1496 CE1 PHE A 545 -7.379 -10.013 -1.604 1.00 1.14 C ATOM 1497 CE2 PHE A 545 -6.150 -9.631 0.398 1.00 73.22 C ATOM 1498 CZ PHE A 545 -6.985 -10.422 -0.346 1.00 72.11 C ATOM 0 H PHE A 545 -5.307 -4.011 -1.464 1.00 14.43 H new ATOM 0 HA PHE A 545 -7.431 -5.750 -2.507 1.00 1.40 H new ATOM 0 HB2 PHE A 545 -5.361 -6.807 -2.983 1.00 31.11 H new ATOM 0 HB3 PHE A 545 -4.697 -6.401 -1.413 1.00 31.11 H new ATOM 0 HD1 PHE A 545 -7.253 -8.502 -3.099 1.00 63.34 H new ATOM 0 HD2 PHE A 545 -5.049 -7.813 0.473 1.00 53.25 H new ATOM 0 HE1 PHE A 545 -8.037 -10.637 -2.191 1.00 1.14 H new ATOM 0 HE2 PHE A 545 -5.840 -9.946 1.383 1.00 73.22 H new ATOM 0 HZ PHE A 545 -7.334 -11.364 0.051 1.00 72.11 H new ATOM 1508 N ARG A 546 -8.445 -5.630 -0.332 1.00 33.25 N ATOM 1509 CA ARG A 546 -9.101 -5.600 0.900 1.00 73.11 C ATOM 1510 C ARG A 546 -9.425 -6.990 1.302 1.00 33.00 C ATOM 1511 O ARG A 546 -9.974 -7.773 0.520 1.00 3.41 O ATOM 1512 CB ARG A 546 -10.300 -4.717 0.799 1.00 1.12 C ATOM 1513 CG ARG A 546 -10.991 -4.427 2.099 1.00 11.55 C ATOM 1514 CD ARG A 546 -11.663 -3.093 1.970 1.00 33.55 C ATOM 1515 NE ARG A 546 -10.647 -2.090 1.598 1.00 74.01 N ATOM 1516 CZ ARG A 546 -10.872 -0.897 1.072 1.00 60.32 C ATOM 1517 NH1 ARG A 546 -12.115 -0.460 0.894 1.00 31.02 N ATOM 1518 NH2 ARG A 546 -9.847 -0.145 0.704 1.00 10.12 N ATOM 0 H ARG A 546 -9.058 -5.775 -1.135 1.00 33.25 H new ATOM 0 HA ARG A 546 -8.467 -5.178 1.680 1.00 73.11 H new ATOM 0 HB2 ARG A 546 -9.998 -3.772 0.347 1.00 1.12 H new ATOM 0 HB3 ARG A 546 -11.016 -5.180 0.120 1.00 1.12 H new ATOM 0 HG2 ARG A 546 -11.722 -5.203 2.325 1.00 11.55 H new ATOM 0 HG3 ARG A 546 -10.274 -4.416 2.919 1.00 11.55 H new ATOM 0 HD2 ARG A 546 -12.447 -3.136 1.214 1.00 33.55 H new ATOM 0 HD3 ARG A 546 -12.141 -2.817 2.910 1.00 33.55 H new ATOM 0 HE ARG A 546 -9.672 -2.342 1.763 1.00 74.01 H new ATOM 0 HH11 ARG A 546 -12.905 -1.046 1.164 1.00 31.02 H new ATOM 0 HH12 ARG A 546 -12.278 0.461 0.488 1.00 31.02 H new ATOM 0 HH21 ARG A 546 -8.894 -0.487 0.827 1.00 10.12 H new ATOM 0 HH22 ARG A 546 -10.010 0.776 0.298 1.00 10.12 H new