USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 648 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 487 GLN : amide:sc= -2.38 K(o=-2.4,f=-3!) USER MOD Set 1.2: A 489 TYR OH : rot 180:sc= 0 USER MOD Single : A 486 MET CE :methyl 147:sc= -0.17 (180deg=-1.06) USER MOD Single : A 503 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.26) USER MOD Single : A 510 ASN : amide:sc= -0.484 X(o=-0.48,f=-0.29) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= -0.127 USER MOD Single : A 518 TYR OH : rot 180:sc= 0 USER MOD Single : A 521 ASN : amide:sc= -0.0656 X(o=-0.066,f=0) USER MOD Single : A 523 LYS NZ :NH3+ -147:sc= 0.279 (180deg=0.0321) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-2.7) USER MOD Single : A 529 SER OG : rot -91:sc= -0.181 USER MOD Single : A 530 THR OG1 : rot 180:sc= -0.771 USER MOD Single : A 535 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00721) USER MOD Single : A 537 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 543 GLN : amide:sc= -0.0526 K(o=-0.053,f=-1.2!) USER MOD Single : A 544 HIS : no HD1:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 546 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= -0.029 USER MOD Single : A 552 ASN : amide:sc= -3.81! C(o=-3.8!,f=-4.2!) USER MOD Single : A 553 LYS NZ :NH3+ -138:sc= -1.26 (180deg=-2.46!) USER MOD Single : A 555 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 556 ASN : amide:sc= -0.0261 K(o=-0.026,f=-1.3) USER MOD Single : A 557 MET CE :methyl -176:sc= 0 (180deg=-0.0134) USER MOD Single : A 558 GLN : amide:sc=-0.00252 X(o=-0.0025,f=0) USER MOD Single : A 564 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 28 N ASP A 482 3.842 -4.665 -4.316 1.00 32.04 N ATOM 29 CA ASP A 482 4.415 -4.736 -5.655 1.00 20.13 C ATOM 30 C ASP A 482 3.328 -4.967 -6.700 1.00 12.53 C ATOM 31 O ASP A 482 3.414 -4.466 -7.821 1.00 15.51 O ATOM 32 CB ASP A 482 5.456 -5.854 -5.728 1.00 72.43 C ATOM 33 CG ASP A 482 6.636 -5.490 -6.607 1.00 40.03 C ATOM 34 OD1 ASP A 482 7.187 -6.397 -7.265 1.00 44.43 O ATOM 35 OD2 ASP A 482 7.009 -4.298 -6.636 1.00 71.25 O ATOM 0 HA ASP A 482 4.900 -3.783 -5.867 1.00 20.13 H new ATOM 0 HB2 ASP A 482 5.812 -6.081 -4.723 1.00 72.43 H new ATOM 0 HB3 ASP A 482 4.986 -6.759 -6.112 1.00 72.43 H new ATOM 40 N VAL A 483 2.306 -5.729 -6.325 1.00 34.14 N ATOM 41 CA VAL A 483 1.201 -6.026 -7.229 1.00 22.20 C ATOM 42 C VAL A 483 -0.142 -5.882 -6.522 1.00 41.23 C ATOM 43 O VAL A 483 -1.103 -5.366 -7.092 1.00 24.11 O ATOM 44 CB VAL A 483 1.315 -7.450 -7.805 1.00 63.12 C ATOM 45 CG1 VAL A 483 1.436 -8.472 -6.685 1.00 10.32 C ATOM 46 CG2 VAL A 483 0.122 -7.761 -8.695 1.00 74.33 C ATOM 0 H VAL A 483 2.220 -6.152 -5.401 1.00 34.14 H new ATOM 0 HA VAL A 483 1.258 -5.306 -8.045 1.00 22.20 H new ATOM 0 HB VAL A 483 2.218 -7.506 -8.413 1.00 63.12 H new ATOM 0 HG11 VAL A 483 1.515 -9.472 -7.112 1.00 10.32 H new ATOM 0 HG12 VAL A 483 2.326 -8.259 -6.092 1.00 10.32 H new ATOM 0 HG13 VAL A 483 0.554 -8.419 -6.047 1.00 10.32 H new ATOM 0 HG21 VAL A 483 0.219 -8.771 -9.094 1.00 74.33 H new ATOM 0 HG22 VAL A 483 -0.796 -7.687 -8.112 1.00 74.33 H new ATOM 0 HG23 VAL A 483 0.087 -7.048 -9.519 1.00 74.33 H new ATOM 56 N GLY A 484 -0.201 -6.341 -5.276 1.00 32.11 N ATOM 57 CA GLY A 484 -1.431 -6.254 -4.511 1.00 13.41 C ATOM 58 C GLY A 484 -1.909 -7.607 -4.025 1.00 32.45 C ATOM 59 O GLY A 484 -3.108 -7.820 -3.839 1.00 65.53 O ATOM 0 H GLY A 484 0.581 -6.772 -4.783 1.00 32.11 H new ATOM 0 HA2 GLY A 484 -1.277 -5.598 -3.655 1.00 13.41 H new ATOM 0 HA3 GLY A 484 -2.206 -5.798 -5.127 1.00 13.41 H new ATOM 63 N ASP A 485 -0.971 -8.525 -3.819 1.00 30.13 N ATOM 64 CA ASP A 485 -1.303 -9.866 -3.352 1.00 23.24 C ATOM 65 C ASP A 485 -2.182 -9.806 -2.107 1.00 14.13 C ATOM 66 O ASP A 485 -1.698 -9.551 -1.004 1.00 71.24 O ATOM 67 CB ASP A 485 -0.027 -10.655 -3.052 1.00 70.00 C ATOM 68 CG ASP A 485 -0.190 -12.140 -3.313 1.00 45.54 C ATOM 69 OD1 ASP A 485 -0.999 -12.781 -2.611 1.00 3.04 O ATOM 70 OD2 ASP A 485 0.492 -12.660 -4.221 1.00 52.32 O ATOM 0 H ASP A 485 0.025 -8.365 -3.968 1.00 30.13 H new ATOM 0 HA ASP A 485 -1.857 -10.372 -4.142 1.00 23.24 H new ATOM 0 HB2 ASP A 485 0.788 -10.269 -3.664 1.00 70.00 H new ATOM 0 HB3 ASP A 485 0.256 -10.501 -2.011 1.00 70.00 H new ATOM 75 N MET A 486 -3.477 -10.041 -2.291 1.00 53.15 N ATOM 76 CA MET A 486 -4.424 -10.013 -1.183 1.00 34.21 C ATOM 77 C MET A 486 -5.199 -11.324 -1.097 1.00 73.31 C ATOM 78 O MET A 486 -5.905 -11.700 -2.033 1.00 31.14 O ATOM 79 CB MET A 486 -5.396 -8.843 -1.343 1.00 51.53 C ATOM 80 CG MET A 486 -5.527 -7.986 -0.094 1.00 74.23 C ATOM 81 SD MET A 486 -5.197 -6.242 -0.410 1.00 65.00 S ATOM 82 CE MET A 486 -6.308 -5.929 -1.779 1.00 71.02 C ATOM 0 H MET A 486 -3.894 -10.253 -3.197 1.00 53.15 H new ATOM 0 HA MET A 486 -3.860 -9.883 -0.260 1.00 34.21 H new ATOM 0 HB2 MET A 486 -5.064 -8.216 -2.171 1.00 51.53 H new ATOM 0 HB3 MET A 486 -6.378 -9.232 -1.612 1.00 51.53 H new ATOM 0 HG2 MET A 486 -6.533 -8.094 0.312 1.00 74.23 H new ATOM 0 HG3 MET A 486 -4.836 -8.351 0.666 1.00 74.23 H new ATOM 0 HE1 MET A 486 -6.674 -4.904 -1.724 1.00 71.02 H new ATOM 0 HE2 MET A 486 -5.776 -6.074 -2.719 1.00 71.02 H new ATOM 0 HE3 MET A 486 -7.151 -6.618 -1.728 1.00 71.02 H new ATOM 92 N GLN A 487 -5.062 -12.015 0.030 1.00 31.10 N ATOM 93 CA GLN A 487 -5.749 -13.285 0.236 1.00 51.41 C ATOM 94 C GLN A 487 -6.039 -13.513 1.716 1.00 54.23 C ATOM 95 O GLN A 487 -5.615 -12.734 2.570 1.00 45.41 O ATOM 96 CB GLN A 487 -4.909 -14.438 -0.315 1.00 74.32 C ATOM 97 CG GLN A 487 -4.321 -14.161 -1.689 1.00 51.51 C ATOM 98 CD GLN A 487 -3.436 -15.287 -2.183 1.00 63.35 C ATOM 99 OE1 GLN A 487 -2.613 -15.819 -1.437 1.00 72.12 O ATOM 100 NE2 GLN A 487 -3.600 -15.658 -3.448 1.00 24.10 N ATOM 0 H GLN A 487 -4.482 -11.717 0.814 1.00 31.10 H new ATOM 0 HA GLN A 487 -6.698 -13.248 -0.300 1.00 51.41 H new ATOM 0 HB2 GLN A 487 -4.098 -14.651 0.382 1.00 74.32 H new ATOM 0 HB3 GLN A 487 -5.527 -15.334 -0.368 1.00 74.32 H new ATOM 0 HG2 GLN A 487 -5.131 -14.002 -2.401 1.00 51.51 H new ATOM 0 HG3 GLN A 487 -3.742 -13.238 -1.653 1.00 51.51 H new ATOM 0 HE21 GLN A 487 -4.294 -15.190 -4.031 1.00 24.10 H new ATOM 0 HE22 GLN A 487 -3.032 -16.411 -3.836 1.00 24.10 H new ATOM 109 N LEU A 488 -6.765 -14.585 2.012 1.00 14.14 N ATOM 110 CA LEU A 488 -7.113 -14.916 3.390 1.00 72.11 C ATOM 111 C LEU A 488 -6.372 -16.166 3.853 1.00 4.13 C ATOM 112 O LEU A 488 -6.671 -17.277 3.414 1.00 15.55 O ATOM 113 CB LEU A 488 -8.623 -15.128 3.519 1.00 43.41 C ATOM 114 CG LEU A 488 -9.198 -15.013 4.931 1.00 73.22 C ATOM 115 CD1 LEU A 488 -9.003 -13.606 5.474 1.00 32.34 C ATOM 116 CD2 LEU A 488 -10.673 -15.390 4.938 1.00 44.01 C ATOM 0 H LEU A 488 -7.124 -15.240 1.317 1.00 14.14 H new ATOM 0 HA LEU A 488 -6.814 -14.082 4.025 1.00 72.11 H new ATOM 0 HB2 LEU A 488 -9.128 -14.401 2.882 1.00 43.41 H new ATOM 0 HB3 LEU A 488 -8.866 -16.116 3.129 1.00 43.41 H new ATOM 0 HG LEU A 488 -8.663 -15.707 5.579 1.00 73.22 H new ATOM 0 HD11 LEU A 488 -9.418 -13.543 6.480 1.00 32.34 H new ATOM 0 HD12 LEU A 488 -7.939 -13.373 5.506 1.00 32.34 H new ATOM 0 HD13 LEU A 488 -9.512 -12.892 4.826 1.00 32.34 H new ATOM 0 HD21 LEU A 488 -11.066 -15.303 5.951 1.00 44.01 H new ATOM 0 HD22 LEU A 488 -11.223 -14.721 4.276 1.00 44.01 H new ATOM 0 HD23 LEU A 488 -10.788 -16.417 4.592 1.00 44.01 H new ATOM 128 N TYR A 489 -5.404 -15.977 4.744 1.00 73.22 N ATOM 129 CA TYR A 489 -4.620 -17.089 5.267 1.00 24.20 C ATOM 130 C TYR A 489 -5.012 -17.403 6.707 1.00 35.14 C ATOM 131 O TYR A 489 -4.828 -16.582 7.606 1.00 54.22 O ATOM 132 CB TYR A 489 -3.126 -16.766 5.193 1.00 72.43 C ATOM 133 CG TYR A 489 -2.759 -15.864 4.037 1.00 44.50 C ATOM 134 CD1 TYR A 489 -2.738 -14.482 4.188 1.00 32.43 C ATOM 135 CD2 TYR A 489 -2.433 -16.391 2.794 1.00 62.13 C ATOM 136 CE1 TYR A 489 -2.404 -13.653 3.135 1.00 24.30 C ATOM 137 CE2 TYR A 489 -2.096 -15.570 1.735 1.00 4.24 C ATOM 138 CZ TYR A 489 -2.083 -14.202 1.911 1.00 44.21 C ATOM 139 OH TYR A 489 -1.749 -13.380 0.859 1.00 63.23 O ATOM 0 H TYR A 489 -5.144 -15.065 5.118 1.00 73.22 H new ATOM 0 HA TYR A 489 -4.827 -17.966 4.654 1.00 24.20 H new ATOM 0 HB2 TYR A 489 -2.819 -16.292 6.125 1.00 72.43 H new ATOM 0 HB3 TYR A 489 -2.565 -17.697 5.109 1.00 72.43 H new ATOM 0 HD1 TYR A 489 -2.987 -14.049 5.146 1.00 32.43 H new ATOM 0 HD2 TYR A 489 -2.443 -17.462 2.653 1.00 62.13 H new ATOM 0 HE1 TYR A 489 -2.394 -12.581 3.269 1.00 24.30 H new ATOM 0 HE2 TYR A 489 -1.844 -15.997 0.775 1.00 4.24 H new ATOM 0 HH TYR A 489 -1.549 -13.924 0.069 1.00 63.23 H new ATOM 149 N ARG A 490 -5.554 -18.598 6.919 1.00 73.11 N ATOM 150 CA ARG A 490 -5.974 -19.022 8.249 1.00 11.12 C ATOM 151 C ARG A 490 -4.935 -19.945 8.879 1.00 71.12 C ATOM 152 O ARG A 490 -4.482 -20.904 8.253 1.00 41.22 O ATOM 153 CB ARG A 490 -7.327 -19.733 8.178 1.00 40.51 C ATOM 154 CG ARG A 490 -7.282 -21.055 7.430 1.00 24.24 C ATOM 155 CD ARG A 490 -7.268 -22.236 8.388 1.00 21.22 C ATOM 156 NE ARG A 490 -8.617 -22.655 8.761 1.00 44.43 N ATOM 157 CZ ARG A 490 -9.388 -23.417 7.994 1.00 64.43 C ATOM 158 NH1 ARG A 490 -8.945 -23.843 6.819 1.00 70.43 N ATOM 159 NH2 ARG A 490 -10.604 -23.756 8.402 1.00 62.11 N ATOM 0 H ARG A 490 -5.713 -19.290 6.186 1.00 73.11 H new ATOM 0 HA ARG A 490 -6.071 -18.133 8.872 1.00 11.12 H new ATOM 0 HB2 ARG A 490 -7.688 -19.911 9.191 1.00 40.51 H new ATOM 0 HB3 ARG A 490 -8.048 -19.075 7.693 1.00 40.51 H new ATOM 0 HG2 ARG A 490 -8.146 -21.131 6.770 1.00 24.24 H new ATOM 0 HG3 ARG A 490 -6.394 -21.087 6.798 1.00 24.24 H new ATOM 0 HD2 ARG A 490 -6.744 -23.072 7.925 1.00 21.22 H new ATOM 0 HD3 ARG A 490 -6.711 -21.968 9.286 1.00 21.22 H new ATOM 0 HE ARG A 490 -8.987 -22.345 9.660 1.00 44.43 H new ATOM 0 HH11 ARG A 490 -8.010 -23.585 6.503 1.00 70.43 H new ATOM 0 HH12 ARG A 490 -9.539 -24.428 6.232 1.00 70.43 H new ATOM 0 HH21 ARG A 490 -10.948 -23.431 9.306 1.00 62.11 H new ATOM 0 HH22 ARG A 490 -11.195 -24.341 7.812 1.00 62.11 H new ATOM 173 N ILE A 491 -4.562 -19.649 10.119 1.00 15.03 N ATOM 174 CA ILE A 491 -3.578 -20.452 10.833 1.00 21.51 C ATOM 175 C ILE A 491 -4.247 -21.352 11.866 1.00 33.42 C ATOM 176 O ILE A 491 -5.426 -21.185 12.178 1.00 3.24 O ATOM 177 CB ILE A 491 -2.534 -19.567 11.539 1.00 31.34 C ATOM 178 CG1 ILE A 491 -3.183 -18.795 12.690 1.00 21.31 C ATOM 179 CG2 ILE A 491 -1.893 -18.609 10.546 1.00 32.24 C ATOM 180 CD1 ILE A 491 -2.217 -17.908 13.443 1.00 5.01 C ATOM 0 H ILE A 491 -4.927 -18.858 10.650 1.00 15.03 H new ATOM 0 HA ILE A 491 -3.075 -21.069 10.088 1.00 21.51 H new ATOM 0 HB ILE A 491 -1.754 -20.208 11.950 1.00 31.34 H new ATOM 0 HG12 ILE A 491 -3.993 -18.183 12.295 1.00 21.31 H new ATOM 0 HG13 ILE A 491 -3.630 -19.505 13.386 1.00 21.31 H new ATOM 0 HG21 ILE A 491 -1.157 -17.990 11.060 1.00 32.24 H new ATOM 0 HG22 ILE A 491 -1.401 -19.178 9.757 1.00 32.24 H new ATOM 0 HG23 ILE A 491 -2.661 -17.971 10.108 1.00 32.24 H new ATOM 0 HD11 ILE A 491 -2.746 -17.392 14.244 1.00 5.01 H new ATOM 0 HD12 ILE A 491 -1.420 -18.517 13.868 1.00 5.01 H new ATOM 0 HD13 ILE A 491 -1.788 -17.175 12.760 1.00 5.01 H new ATOM 192 N GLU A 492 -3.486 -22.306 12.394 1.00 74.20 N ATOM 193 CA GLU A 492 -4.007 -23.232 13.393 1.00 23.02 C ATOM 194 C GLU A 492 -3.674 -22.754 14.804 1.00 41.34 C ATOM 195 O GLU A 492 -3.142 -23.508 15.618 1.00 63.22 O ATOM 196 CB GLU A 492 -3.434 -24.633 13.170 1.00 70.23 C ATOM 197 CG GLU A 492 -4.111 -25.708 14.004 1.00 54.35 C ATOM 198 CD GLU A 492 -5.276 -26.358 13.282 1.00 21.23 C ATOM 199 OE1 GLU A 492 -5.869 -27.303 13.843 1.00 23.32 O ATOM 200 OE2 GLU A 492 -5.594 -25.921 12.156 1.00 34.25 O ATOM 0 H GLU A 492 -2.508 -22.458 12.147 1.00 74.20 H new ATOM 0 HA GLU A 492 -5.091 -23.269 13.286 1.00 23.02 H new ATOM 0 HB2 GLU A 492 -3.528 -24.891 12.115 1.00 70.23 H new ATOM 0 HB3 GLU A 492 -2.369 -24.622 13.402 1.00 70.23 H new ATOM 0 HG2 GLU A 492 -3.380 -26.472 14.268 1.00 54.35 H new ATOM 0 HG3 GLU A 492 -4.465 -25.270 14.937 1.00 54.35 H new ATOM 207 N VAL A 493 -3.991 -21.494 15.085 1.00 11.21 N ATOM 208 CA VAL A 493 -3.727 -20.914 16.396 1.00 1.34 C ATOM 209 C VAL A 493 -4.837 -19.952 16.806 1.00 71.51 C ATOM 210 O VAL A 493 -5.359 -19.203 15.982 1.00 43.43 O ATOM 211 CB VAL A 493 -2.381 -20.165 16.418 1.00 21.21 C ATOM 212 CG1 VAL A 493 -1.955 -19.874 17.849 1.00 63.11 C ATOM 213 CG2 VAL A 493 -1.314 -20.967 15.688 1.00 51.01 C ATOM 0 H VAL A 493 -4.431 -20.856 14.422 1.00 11.21 H new ATOM 0 HA VAL A 493 -3.686 -21.741 17.105 1.00 1.34 H new ATOM 0 HB VAL A 493 -2.506 -19.214 15.901 1.00 21.21 H new ATOM 0 HG11 VAL A 493 -1.002 -19.345 17.844 1.00 63.11 H new ATOM 0 HG12 VAL A 493 -2.711 -19.257 18.335 1.00 63.11 H new ATOM 0 HG13 VAL A 493 -1.846 -20.812 18.394 1.00 63.11 H new ATOM 0 HG21 VAL A 493 -0.370 -20.423 15.713 1.00 51.01 H new ATOM 0 HG22 VAL A 493 -1.189 -21.934 16.175 1.00 51.01 H new ATOM 0 HG23 VAL A 493 -1.618 -21.119 14.652 1.00 51.01 H new ATOM 223 N GLY A 494 -5.194 -19.980 18.086 1.00 10.15 N ATOM 224 CA GLY A 494 -6.240 -19.106 18.584 1.00 74.02 C ATOM 225 C GLY A 494 -6.059 -18.759 20.048 1.00 21.32 C ATOM 226 O GLY A 494 -5.016 -19.047 20.636 1.00 13.15 O ATOM 0 H GLY A 494 -4.777 -20.592 18.787 1.00 10.15 H new ATOM 0 HA2 GLY A 494 -6.253 -18.189 17.996 1.00 74.02 H new ATOM 0 HA3 GLY A 494 -7.208 -19.588 18.445 1.00 74.02 H new ATOM 230 N ARG A 495 -7.075 -18.138 20.638 1.00 30.10 N ATOM 231 CA ARG A 495 -7.021 -17.749 22.042 1.00 35.00 C ATOM 232 C ARG A 495 -6.715 -18.953 22.928 1.00 3.44 C ATOM 233 O ARG A 495 -6.042 -18.827 23.952 1.00 65.14 O ATOM 234 CB ARG A 495 -8.346 -17.113 22.468 1.00 41.12 C ATOM 235 CG ARG A 495 -9.565 -17.944 22.104 1.00 15.12 C ATOM 236 CD ARG A 495 -10.809 -17.455 22.830 1.00 73.04 C ATOM 237 NE ARG A 495 -11.529 -16.443 22.061 1.00 1.21 N ATOM 238 CZ ARG A 495 -12.792 -16.103 22.294 1.00 24.05 C ATOM 239 NH1 ARG A 495 -13.471 -16.691 23.270 1.00 65.23 N ATOM 240 NH2 ARG A 495 -13.378 -15.173 21.552 1.00 43.42 N ATOM 0 H ARG A 495 -7.945 -17.893 20.166 1.00 30.10 H new ATOM 0 HA ARG A 495 -6.220 -17.019 22.161 1.00 35.00 H new ATOM 0 HB2 ARG A 495 -8.333 -16.955 23.546 1.00 41.12 H new ATOM 0 HB3 ARG A 495 -8.434 -16.131 22.003 1.00 41.12 H new ATOM 0 HG2 ARG A 495 -9.729 -17.899 21.027 1.00 15.12 H new ATOM 0 HG3 ARG A 495 -9.383 -18.989 22.355 1.00 15.12 H new ATOM 0 HD2 ARG A 495 -11.470 -18.299 23.026 1.00 73.04 H new ATOM 0 HD3 ARG A 495 -10.525 -17.041 23.798 1.00 73.04 H new ATOM 0 HE ARG A 495 -11.035 -15.971 21.303 1.00 1.21 H new ATOM 0 HH11 ARG A 495 -13.024 -17.406 23.844 1.00 65.23 H new ATOM 0 HH12 ARG A 495 -14.441 -16.428 23.447 1.00 65.23 H new ATOM 0 HH21 ARG A 495 -12.859 -14.718 20.801 1.00 43.42 H new ATOM 0 HH22 ARG A 495 -14.348 -14.913 21.732 1.00 43.42 H new ATOM 254 N ASP A 496 -7.213 -20.117 22.529 1.00 74.21 N ATOM 255 CA ASP A 496 -6.992 -21.344 23.286 1.00 15.33 C ATOM 256 C ASP A 496 -5.550 -21.818 23.144 1.00 45.11 C ATOM 257 O ASP A 496 -5.064 -22.612 23.950 1.00 12.20 O ATOM 258 CB ASP A 496 -7.951 -22.439 22.816 1.00 50.34 C ATOM 259 CG ASP A 496 -8.263 -23.444 23.907 1.00 2.41 C ATOM 260 OD1 ASP A 496 -7.773 -23.259 25.041 1.00 33.23 O ATOM 261 OD2 ASP A 496 -8.997 -24.414 23.627 1.00 10.03 O ATOM 0 H ASP A 496 -7.773 -20.238 21.685 1.00 74.21 H new ATOM 0 HA ASP A 496 -7.183 -21.132 24.338 1.00 15.33 H new ATOM 0 HB2 ASP A 496 -8.879 -21.982 22.471 1.00 50.34 H new ATOM 0 HB3 ASP A 496 -7.515 -22.958 21.962 1.00 50.34 H new ATOM 266 N ASP A 497 -4.870 -21.327 22.114 1.00 41.15 N ATOM 267 CA ASP A 497 -3.482 -21.700 21.865 1.00 33.31 C ATOM 268 C ASP A 497 -2.527 -20.687 22.487 1.00 11.53 C ATOM 269 O ASP A 497 -1.496 -21.053 23.049 1.00 62.52 O ATOM 270 CB ASP A 497 -3.222 -21.809 20.362 1.00 53.32 C ATOM 271 CG ASP A 497 -1.909 -22.499 20.050 1.00 73.43 C ATOM 272 OD1 ASP A 497 -0.938 -22.295 20.807 1.00 65.52 O ATOM 273 OD2 ASP A 497 -1.853 -23.243 19.048 1.00 71.21 O ATOM 0 H ASP A 497 -5.257 -20.669 21.437 1.00 41.15 H new ATOM 0 HA ASP A 497 -3.304 -22.671 22.327 1.00 33.31 H new ATOM 0 HB2 ASP A 497 -4.038 -22.359 19.894 1.00 53.32 H new ATOM 0 HB3 ASP A 497 -3.218 -20.811 19.924 1.00 53.32 H new ATOM 278 N GLY A 498 -2.878 -19.408 22.382 1.00 63.20 N ATOM 279 CA GLY A 498 -2.041 -18.361 22.938 1.00 65.14 C ATOM 280 C GLY A 498 -1.841 -17.206 21.976 1.00 74.50 C ATOM 281 O GLY A 498 -0.768 -16.605 21.930 1.00 32.11 O ATOM 0 H GLY A 498 -3.727 -19.079 21.922 1.00 63.20 H new ATOM 0 HA2 GLY A 498 -2.492 -17.990 23.858 1.00 65.14 H new ATOM 0 HA3 GLY A 498 -1.071 -18.779 23.205 1.00 65.14 H new ATOM 285 N VAL A 499 -2.878 -16.896 21.204 1.00 62.14 N ATOM 286 CA VAL A 499 -2.812 -15.806 20.237 1.00 20.24 C ATOM 287 C VAL A 499 -4.082 -14.963 20.273 1.00 45.20 C ATOM 288 O VAL A 499 -5.163 -15.464 20.579 1.00 63.43 O ATOM 289 CB VAL A 499 -2.601 -16.336 18.807 1.00 62.32 C ATOM 290 CG1 VAL A 499 -3.904 -16.881 18.241 1.00 24.24 C ATOM 291 CG2 VAL A 499 -2.038 -15.243 17.912 1.00 45.14 C ATOM 0 H VAL A 499 -3.773 -17.384 21.229 1.00 62.14 H new ATOM 0 HA VAL A 499 -1.960 -15.186 20.516 1.00 20.24 H new ATOM 0 HB VAL A 499 -1.879 -17.152 18.844 1.00 62.32 H new ATOM 0 HG11 VAL A 499 -3.735 -17.251 17.230 1.00 24.24 H new ATOM 0 HG12 VAL A 499 -4.261 -17.696 18.870 1.00 24.24 H new ATOM 0 HG13 VAL A 499 -4.650 -16.087 18.217 1.00 24.24 H new ATOM 0 HG21 VAL A 499 -1.895 -15.635 16.905 1.00 45.14 H new ATOM 0 HG22 VAL A 499 -2.734 -14.405 17.880 1.00 45.14 H new ATOM 0 HG23 VAL A 499 -1.081 -14.905 18.309 1.00 45.14 H new ATOM 301 N GLU A 500 -3.942 -13.679 19.958 1.00 43.04 N ATOM 302 CA GLU A 500 -5.078 -12.766 19.954 1.00 15.30 C ATOM 303 C GLU A 500 -5.157 -12.000 18.636 1.00 0.15 C ATOM 304 O GLU A 500 -4.395 -12.263 17.706 1.00 20.10 O ATOM 305 CB GLU A 500 -4.975 -11.783 21.122 1.00 34.14 C ATOM 306 CG GLU A 500 -4.504 -12.424 22.417 1.00 44.12 C ATOM 307 CD GLU A 500 -5.051 -11.726 23.647 1.00 42.13 C ATOM 308 OE1 GLU A 500 -4.590 -10.605 23.948 1.00 71.12 O ATOM 309 OE2 GLU A 500 -5.941 -12.301 24.308 1.00 63.12 O ATOM 0 H GLU A 500 -3.053 -13.248 19.702 1.00 43.04 H new ATOM 0 HA GLU A 500 -5.987 -13.358 20.065 1.00 15.30 H new ATOM 0 HB2 GLU A 500 -4.287 -10.982 20.852 1.00 34.14 H new ATOM 0 HB3 GLU A 500 -5.950 -11.324 21.287 1.00 34.14 H new ATOM 0 HG2 GLU A 500 -4.809 -13.470 22.432 1.00 44.12 H new ATOM 0 HG3 GLU A 500 -3.415 -12.409 22.450 1.00 44.12 H new ATOM 316 N VAL A 501 -6.085 -11.051 18.565 1.00 42.42 N ATOM 317 CA VAL A 501 -6.264 -10.246 17.362 1.00 4.45 C ATOM 318 C VAL A 501 -5.176 -9.184 17.245 1.00 64.20 C ATOM 319 O VAL A 501 -4.718 -8.869 16.146 1.00 24.25 O ATOM 320 CB VAL A 501 -7.641 -9.557 17.348 1.00 12.20 C ATOM 321 CG1 VAL A 501 -7.783 -8.673 16.119 1.00 54.54 C ATOM 322 CG2 VAL A 501 -8.755 -10.592 17.402 1.00 4.11 C ATOM 0 H VAL A 501 -6.724 -10.821 19.326 1.00 42.42 H new ATOM 0 HA VAL A 501 -6.197 -10.926 16.513 1.00 4.45 H new ATOM 0 HB VAL A 501 -7.721 -8.925 18.232 1.00 12.20 H new ATOM 0 HG11 VAL A 501 -8.762 -8.194 16.126 1.00 54.54 H new ATOM 0 HG12 VAL A 501 -7.006 -7.909 16.129 1.00 54.54 H new ATOM 0 HG13 VAL A 501 -7.683 -9.281 15.220 1.00 54.54 H new ATOM 0 HG21 VAL A 501 -9.721 -10.088 17.391 1.00 4.11 H new ATOM 0 HG22 VAL A 501 -8.681 -11.252 16.538 1.00 4.11 H new ATOM 0 HG23 VAL A 501 -8.662 -11.179 18.316 1.00 4.11 H new ATOM 332 N ARG A 502 -4.766 -8.636 18.384 1.00 22.12 N ATOM 333 CA ARG A 502 -3.731 -7.609 18.409 1.00 14.03 C ATOM 334 C ARG A 502 -2.342 -8.238 18.472 1.00 14.52 C ATOM 335 O ARG A 502 -1.331 -7.535 18.485 1.00 14.44 O ATOM 336 CB ARG A 502 -3.936 -6.678 19.606 1.00 52.13 C ATOM 337 CG ARG A 502 -3.979 -7.403 20.941 1.00 12.40 C ATOM 338 CD ARG A 502 -3.737 -6.449 22.100 1.00 4.04 C ATOM 339 NE ARG A 502 -2.323 -6.370 22.458 1.00 63.32 N ATOM 340 CZ ARG A 502 -1.796 -5.371 23.156 1.00 2.31 C ATOM 341 NH1 ARG A 502 -2.562 -4.371 23.570 1.00 3.23 N ATOM 342 NH2 ARG A 502 -0.500 -5.370 23.442 1.00 30.20 N ATOM 0 H ARG A 502 -5.135 -8.886 19.302 1.00 22.12 H new ATOM 0 HA ARG A 502 -3.807 -7.029 17.489 1.00 14.03 H new ATOM 0 HB2 ARG A 502 -3.131 -5.944 19.627 1.00 52.13 H new ATOM 0 HB3 ARG A 502 -4.867 -6.127 19.471 1.00 52.13 H new ATOM 0 HG2 ARG A 502 -4.948 -7.887 21.063 1.00 12.40 H new ATOM 0 HG3 ARG A 502 -3.226 -8.191 20.953 1.00 12.40 H new ATOM 0 HD2 ARG A 502 -4.100 -5.456 21.834 1.00 4.04 H new ATOM 0 HD3 ARG A 502 -4.312 -6.777 22.966 1.00 4.04 H new ATOM 0 HE ARG A 502 -1.706 -7.124 22.155 1.00 63.32 H new ATOM 0 HH11 ARG A 502 -3.559 -4.368 23.352 1.00 3.23 H new ATOM 0 HH12 ARG A 502 -2.155 -3.605 24.106 1.00 3.23 H new ATOM 0 HH21 ARG A 502 0.093 -6.137 23.125 1.00 30.20 H new ATOM 0 HH22 ARG A 502 -0.097 -4.602 23.978 1.00 30.20 H new ATOM 356 N HIS A 503 -2.301 -9.566 18.511 1.00 3.43 N ATOM 357 CA HIS A 503 -1.036 -10.289 18.573 1.00 63.21 C ATOM 358 C HIS A 503 -0.435 -10.453 17.180 1.00 72.11 C ATOM 359 O HIS A 503 0.684 -10.011 16.921 1.00 65.25 O ATOM 360 CB HIS A 503 -1.239 -11.661 19.218 1.00 52.53 C ATOM 361 CG HIS A 503 -0.030 -12.168 19.941 1.00 3.30 C ATOM 362 ND1 HIS A 503 1.238 -11.670 19.728 1.00 4.31 N ATOM 363 CD2 HIS A 503 0.100 -13.133 20.881 1.00 73.44 C ATOM 364 CE1 HIS A 503 2.096 -12.308 20.504 1.00 32.31 C ATOM 365 NE2 HIS A 503 1.430 -13.201 21.214 1.00 61.51 N ATOM 0 H HIS A 503 -3.128 -10.163 18.501 1.00 3.43 H new ATOM 0 HA HIS A 503 -0.344 -9.708 19.182 1.00 63.21 H new ATOM 0 HB2 HIS A 503 -2.073 -11.605 19.917 1.00 52.53 H new ATOM 0 HB3 HIS A 503 -1.518 -12.378 18.446 1.00 52.53 H new ATOM 0 HD2 HIS A 503 -0.695 -13.737 21.293 1.00 73.44 H new ATOM 0 HE1 HIS A 503 3.160 -12.130 20.550 1.00 32.31 H new ATOM 0 HE2 HIS A 503 1.838 -13.838 21.899 1.00 61.51 H new ATOM 373 N ILE A 504 -1.186 -11.091 16.288 1.00 12.15 N ATOM 374 CA ILE A 504 -0.728 -11.312 14.923 1.00 63.43 C ATOM 375 C ILE A 504 -0.722 -10.012 14.127 1.00 0.50 C ATOM 376 O ILE A 504 0.035 -9.861 13.168 1.00 71.12 O ATOM 377 CB ILE A 504 -1.609 -12.343 14.193 1.00 20.42 C ATOM 378 CG1 ILE A 504 -2.919 -11.697 13.740 1.00 54.44 C ATOM 379 CG2 ILE A 504 -1.885 -13.537 15.095 1.00 14.34 C ATOM 380 CD1 ILE A 504 -3.866 -11.387 14.878 1.00 1.41 C ATOM 0 H ILE A 504 -2.114 -11.464 16.487 1.00 12.15 H new ATOM 0 HA ILE A 504 0.289 -11.698 14.991 1.00 63.43 H new ATOM 0 HB ILE A 504 -1.075 -12.695 13.310 1.00 20.42 H new ATOM 0 HG12 ILE A 504 -2.694 -10.775 13.204 1.00 54.44 H new ATOM 0 HG13 ILE A 504 -3.417 -12.362 13.034 1.00 54.44 H new ATOM 0 HG21 ILE A 504 -2.509 -14.257 14.565 1.00 14.34 H new ATOM 0 HG22 ILE A 504 -0.942 -14.009 15.373 1.00 14.34 H new ATOM 0 HG23 ILE A 504 -2.402 -13.202 15.994 1.00 14.34 H new ATOM 0 HD11 ILE A 504 -4.773 -10.931 14.482 1.00 1.41 H new ATOM 0 HD12 ILE A 504 -4.121 -12.309 15.400 1.00 1.41 H new ATOM 0 HD13 ILE A 504 -3.387 -10.697 15.573 1.00 1.41 H new ATOM 392 N VAL A 505 -1.570 -9.072 14.533 1.00 74.10 N ATOM 393 CA VAL A 505 -1.662 -7.782 13.860 1.00 4.11 C ATOM 394 C VAL A 505 -0.539 -6.850 14.303 1.00 21.53 C ATOM 395 O VAL A 505 0.191 -6.304 13.477 1.00 24.54 O ATOM 396 CB VAL A 505 -3.016 -7.101 14.133 1.00 71.24 C ATOM 397 CG1 VAL A 505 -3.013 -5.674 13.605 1.00 24.54 C ATOM 398 CG2 VAL A 505 -4.150 -7.905 13.513 1.00 3.42 C ATOM 0 H VAL A 505 -2.203 -9.180 15.325 1.00 74.10 H new ATOM 0 HA VAL A 505 -1.570 -7.976 12.791 1.00 4.11 H new ATOM 0 HB VAL A 505 -3.174 -7.063 15.211 1.00 71.24 H new ATOM 0 HG11 VAL A 505 -3.978 -5.209 13.807 1.00 24.54 H new ATOM 0 HG12 VAL A 505 -2.226 -5.105 14.099 1.00 24.54 H new ATOM 0 HG13 VAL A 505 -2.833 -5.684 12.530 1.00 24.54 H new ATOM 0 HG21 VAL A 505 -5.100 -7.410 13.715 1.00 3.42 H new ATOM 0 HG22 VAL A 505 -4.000 -7.975 12.436 1.00 3.42 H new ATOM 0 HG23 VAL A 505 -4.164 -8.906 13.943 1.00 3.42 H new ATOM 408 N GLY A 506 -0.407 -6.674 15.615 1.00 43.35 N ATOM 409 CA GLY A 506 0.630 -5.808 16.145 1.00 12.25 C ATOM 410 C GLY A 506 2.019 -6.232 15.711 1.00 54.14 C ATOM 411 O GLY A 506 2.955 -5.434 15.738 1.00 24.41 O ATOM 0 H GLY A 506 -0.999 -7.115 16.319 1.00 43.35 H new ATOM 0 HA2 GLY A 506 0.447 -4.785 15.817 1.00 12.25 H new ATOM 0 HA3 GLY A 506 0.577 -5.808 17.234 1.00 12.25 H new ATOM 415 N ALA A 507 2.152 -7.492 15.310 1.00 45.13 N ATOM 416 CA ALA A 507 3.437 -8.020 14.867 1.00 32.31 C ATOM 417 C ALA A 507 3.671 -7.727 13.389 1.00 4.32 C ATOM 418 O ALA A 507 4.639 -7.057 13.026 1.00 70.41 O ATOM 419 CB ALA A 507 3.510 -9.518 15.128 1.00 55.43 C ATOM 0 H ALA A 507 1.387 -8.166 15.283 1.00 45.13 H new ATOM 0 HA ALA A 507 4.222 -7.524 15.438 1.00 32.31 H new ATOM 0 HB1 ALA A 507 4.474 -9.899 14.793 1.00 55.43 H new ATOM 0 HB2 ALA A 507 3.396 -9.707 16.195 1.00 55.43 H new ATOM 0 HB3 ALA A 507 2.711 -10.022 14.583 1.00 55.43 H new ATOM 425 N ILE A 508 2.781 -8.232 12.542 1.00 41.31 N ATOM 426 CA ILE A 508 2.892 -8.023 11.104 1.00 40.33 C ATOM 427 C ILE A 508 2.838 -6.538 10.758 1.00 35.41 C ATOM 428 O ILE A 508 3.243 -6.129 9.671 1.00 54.42 O ATOM 429 CB ILE A 508 1.774 -8.757 10.340 1.00 24.42 C ATOM 430 CG1 ILE A 508 0.402 -8.251 10.789 1.00 21.45 C ATOM 431 CG2 ILE A 508 1.887 -10.260 10.553 1.00 52.41 C ATOM 432 CD1 ILE A 508 -0.156 -7.155 9.909 1.00 24.02 C ATOM 0 H ILE A 508 1.975 -8.789 12.827 1.00 41.31 H new ATOM 0 HA ILE A 508 3.856 -8.430 10.800 1.00 40.33 H new ATOM 0 HB ILE A 508 1.885 -8.551 9.275 1.00 24.42 H new ATOM 0 HG12 ILE A 508 -0.298 -9.087 10.802 1.00 21.45 H new ATOM 0 HG13 ILE A 508 0.477 -7.882 11.812 1.00 21.45 H new ATOM 0 HG21 ILE A 508 1.090 -10.766 10.007 1.00 52.41 H new ATOM 0 HG22 ILE A 508 2.854 -10.607 10.189 1.00 52.41 H new ATOM 0 HG23 ILE A 508 1.798 -10.485 11.616 1.00 52.41 H new ATOM 0 HD11 ILE A 508 -1.130 -6.845 10.287 1.00 24.02 H new ATOM 0 HD12 ILE A 508 0.523 -6.302 9.915 1.00 24.02 H new ATOM 0 HD13 ILE A 508 -0.264 -7.526 8.890 1.00 24.02 H new ATOM 444 N ALA A 509 2.335 -5.737 11.692 1.00 64.11 N ATOM 445 CA ALA A 509 2.232 -4.298 11.488 1.00 15.40 C ATOM 446 C ALA A 509 3.436 -3.571 12.077 1.00 61.40 C ATOM 447 O ALA A 509 3.687 -2.409 11.762 1.00 61.15 O ATOM 448 CB ALA A 509 0.943 -3.769 12.101 1.00 71.42 C ATOM 0 H ALA A 509 1.993 -6.061 12.597 1.00 64.11 H new ATOM 0 HA ALA A 509 2.216 -4.109 10.415 1.00 15.40 H new ATOM 0 HB1 ALA A 509 0.879 -2.693 11.941 1.00 71.42 H new ATOM 0 HB2 ALA A 509 0.089 -4.257 11.631 1.00 71.42 H new ATOM 0 HB3 ALA A 509 0.936 -3.978 13.171 1.00 71.42 H new ATOM 454 N ASN A 510 4.178 -4.265 12.935 1.00 51.52 N ATOM 455 CA ASN A 510 5.356 -3.684 13.569 1.00 21.30 C ATOM 456 C ASN A 510 6.633 -4.159 12.882 1.00 30.23 C ATOM 457 O ASN A 510 7.721 -3.654 13.157 1.00 60.41 O ATOM 458 CB ASN A 510 5.395 -4.052 15.054 1.00 60.34 C ATOM 459 CG ASN A 510 6.609 -3.480 15.760 1.00 51.34 C ATOM 460 OD1 ASN A 510 7.315 -4.188 16.477 1.00 31.05 O ATOM 461 ND2 ASN A 510 6.857 -2.191 15.558 1.00 11.32 N ATOM 0 H ASN A 510 3.984 -5.229 13.207 1.00 51.52 H new ATOM 0 HA ASN A 510 5.294 -2.600 13.472 1.00 21.30 H new ATOM 0 HB2 ASN A 510 4.490 -3.687 15.540 1.00 60.34 H new ATOM 0 HB3 ASN A 510 5.396 -5.137 15.157 1.00 60.34 H new ATOM 0 HD21 ASN A 510 7.660 -1.750 16.006 1.00 11.32 H new ATOM 0 HD22 ASN A 510 6.244 -1.642 14.955 1.00 11.32 H new ATOM 468 N GLU A 511 6.491 -5.132 11.988 1.00 73.41 N ATOM 469 CA GLU A 511 7.633 -5.675 11.262 1.00 22.02 C ATOM 470 C GLU A 511 7.954 -4.823 10.038 1.00 65.04 C ATOM 471 O GLU A 511 9.116 -4.525 9.763 1.00 51.22 O ATOM 472 CB GLU A 511 7.356 -7.118 10.835 1.00 54.33 C ATOM 473 CG GLU A 511 6.154 -7.260 9.915 1.00 1.34 C ATOM 474 CD GLU A 511 6.532 -7.198 8.448 1.00 32.31 C ATOM 475 OE1 GLU A 511 5.717 -6.694 7.647 1.00 30.11 O ATOM 476 OE2 GLU A 511 7.641 -7.654 8.101 1.00 61.22 O ATOM 0 H GLU A 511 5.597 -5.560 11.749 1.00 73.41 H new ATOM 0 HA GLU A 511 8.495 -5.661 11.929 1.00 22.02 H new ATOM 0 HB2 GLU A 511 8.237 -7.515 10.331 1.00 54.33 H new ATOM 0 HB3 GLU A 511 7.196 -7.727 11.725 1.00 54.33 H new ATOM 0 HG2 GLU A 511 5.656 -8.208 10.118 1.00 1.34 H new ATOM 0 HG3 GLU A 511 5.437 -6.469 10.135 1.00 1.34 H new ATOM 483 N GLY A 512 6.915 -4.435 9.305 1.00 42.24 N ATOM 484 CA GLY A 512 7.107 -3.622 8.118 1.00 53.12 C ATOM 485 C GLY A 512 6.372 -2.299 8.197 1.00 52.43 C ATOM 486 O GLY A 512 6.528 -1.551 9.162 1.00 11.40 O ATOM 0 H GLY A 512 5.944 -4.669 9.512 1.00 42.24 H new ATOM 0 HA2 GLY A 512 8.172 -3.435 7.978 1.00 53.12 H new ATOM 0 HA3 GLY A 512 6.762 -4.174 7.244 1.00 53.12 H new ATOM 490 N ASP A 513 5.570 -2.008 7.179 1.00 54.34 N ATOM 491 CA ASP A 513 4.808 -0.765 7.136 1.00 0.20 C ATOM 492 C ASP A 513 3.322 -1.030 7.358 1.00 3.04 C ATOM 493 O ASP A 513 2.537 -0.100 7.545 1.00 1.02 O ATOM 494 CB ASP A 513 5.018 -0.059 5.796 1.00 52.24 C ATOM 495 CG ASP A 513 6.218 0.867 5.810 1.00 2.15 C ATOM 496 OD1 ASP A 513 6.475 1.522 4.779 1.00 73.12 O ATOM 497 OD2 ASP A 513 6.902 0.936 6.854 1.00 53.24 O ATOM 0 H ASP A 513 5.430 -2.616 6.372 1.00 54.34 H new ATOM 0 HA ASP A 513 5.167 -0.120 7.938 1.00 0.20 H new ATOM 0 HB2 ASP A 513 5.148 -0.805 5.012 1.00 52.24 H new ATOM 0 HB3 ASP A 513 4.124 0.513 5.546 1.00 52.24 H new ATOM 502 N ILE A 514 2.944 -2.304 7.336 1.00 40.53 N ATOM 503 CA ILE A 514 1.553 -2.690 7.535 1.00 72.32 C ATOM 504 C ILE A 514 0.979 -2.049 8.793 1.00 15.52 C ATOM 505 O ILE A 514 1.671 -1.904 9.800 1.00 5.32 O ATOM 506 CB ILE A 514 1.403 -4.220 7.638 1.00 51.42 C ATOM 507 CG1 ILE A 514 1.910 -4.891 6.360 1.00 52.23 C ATOM 508 CG2 ILE A 514 -0.049 -4.593 7.899 1.00 64.12 C ATOM 509 CD1 ILE A 514 2.458 -6.283 6.585 1.00 54.24 C ATOM 0 H ILE A 514 3.581 -3.085 7.182 1.00 40.53 H new ATOM 0 HA ILE A 514 1.000 -2.336 6.665 1.00 72.32 H new ATOM 0 HB ILE A 514 2.005 -4.574 8.475 1.00 51.42 H new ATOM 0 HG12 ILE A 514 1.095 -4.942 5.638 1.00 52.23 H new ATOM 0 HG13 ILE A 514 2.689 -4.270 5.917 1.00 52.23 H new ATOM 0 HG21 ILE A 514 -0.139 -5.677 7.969 1.00 64.12 H new ATOM 0 HG22 ILE A 514 -0.379 -4.140 8.834 1.00 64.12 H new ATOM 0 HG23 ILE A 514 -0.671 -4.229 7.081 1.00 64.12 H new ATOM 0 HD11 ILE A 514 2.799 -6.697 5.636 1.00 54.24 H new ATOM 0 HD12 ILE A 514 3.294 -6.236 7.282 1.00 54.24 H new ATOM 0 HD13 ILE A 514 1.676 -6.919 6.999 1.00 54.24 H new ATOM 521 N SER A 515 -0.293 -1.667 8.729 1.00 72.11 N ATOM 522 CA SER A 515 -0.961 -1.039 9.863 1.00 51.13 C ATOM 523 C SER A 515 -2.175 -1.854 10.298 1.00 54.25 C ATOM 524 O SER A 515 -2.645 -2.727 9.567 1.00 2.45 O ATOM 525 CB SER A 515 -1.390 0.385 9.504 1.00 52.12 C ATOM 526 OG SER A 515 -1.317 1.239 10.632 1.00 1.40 O ATOM 0 H SER A 515 -0.881 -1.782 7.904 1.00 72.11 H new ATOM 0 HA SER A 515 -0.255 -1.000 10.693 1.00 51.13 H new ATOM 0 HB2 SER A 515 -0.751 0.771 8.710 1.00 52.12 H new ATOM 0 HB3 SER A 515 -2.409 0.375 9.117 1.00 52.12 H new ATOM 0 HG SER A 515 -1.594 2.143 10.376 1.00 1.40 H new ATOM 532 N SER A 516 -2.679 -1.562 11.492 1.00 11.34 N ATOM 533 CA SER A 516 -3.836 -2.269 12.028 1.00 74.12 C ATOM 534 C SER A 516 -5.074 -2.012 11.173 1.00 45.11 C ATOM 535 O SER A 516 -5.998 -2.824 11.140 1.00 53.13 O ATOM 536 CB SER A 516 -4.101 -1.838 13.471 1.00 15.55 C ATOM 537 OG SER A 516 -4.675 -2.894 14.222 1.00 12.42 O ATOM 0 H SER A 516 -2.304 -0.840 12.107 1.00 11.34 H new ATOM 0 HA SER A 516 -3.618 -3.337 12.010 1.00 74.12 H new ATOM 0 HB2 SER A 516 -3.167 -1.522 13.937 1.00 15.55 H new ATOM 0 HB3 SER A 516 -4.769 -0.977 13.480 1.00 15.55 H new ATOM 0 HG SER A 516 -4.833 -2.593 15.141 1.00 12.42 H new ATOM 543 N ARG A 517 -5.082 -0.876 10.483 1.00 74.23 N ATOM 544 CA ARG A 517 -6.206 -0.510 9.628 1.00 24.22 C ATOM 545 C ARG A 517 -5.969 -0.970 8.193 1.00 71.23 C ATOM 546 O ARG A 517 -6.909 -1.327 7.481 1.00 2.54 O ATOM 547 CB ARG A 517 -6.426 1.003 9.660 1.00 13.23 C ATOM 548 CG ARG A 517 -5.255 1.801 9.111 1.00 11.33 C ATOM 549 CD ARG A 517 -5.411 3.287 9.396 1.00 22.14 C ATOM 550 NE ARG A 517 -5.424 4.081 8.171 1.00 42.02 N ATOM 551 CZ ARG A 517 -6.497 4.230 7.403 1.00 15.21 C ATOM 552 NH1 ARG A 517 -7.639 3.643 7.733 1.00 33.31 N ATOM 553 NH2 ARG A 517 -6.430 4.969 6.303 1.00 75.11 N ATOM 0 H ARG A 517 -4.324 -0.194 10.499 1.00 74.23 H new ATOM 0 HA ARG A 517 -7.098 -1.008 10.009 1.00 24.22 H new ATOM 0 HB2 ARG A 517 -7.320 1.244 9.085 1.00 13.23 H new ATOM 0 HB3 ARG A 517 -6.615 1.312 10.688 1.00 13.23 H new ATOM 0 HG2 ARG A 517 -4.327 1.440 9.555 1.00 11.33 H new ATOM 0 HG3 ARG A 517 -5.177 1.642 8.035 1.00 11.33 H new ATOM 0 HD2 ARG A 517 -6.336 3.455 9.947 1.00 22.14 H new ATOM 0 HD3 ARG A 517 -4.594 3.621 10.036 1.00 22.14 H new ATOM 0 HE ARG A 517 -4.561 4.547 7.890 1.00 42.02 H new ATOM 0 HH11 ARG A 517 -7.695 3.075 8.579 1.00 33.31 H new ATOM 0 HH12 ARG A 517 -8.462 3.759 7.141 1.00 33.31 H new ATOM 0 HH21 ARG A 517 -5.554 5.423 6.046 1.00 75.11 H new ATOM 0 HH22 ARG A 517 -7.255 5.083 5.714 1.00 75.11 H new ATOM 567 N TYR A 518 -4.709 -0.959 7.774 1.00 63.24 N ATOM 568 CA TYR A 518 -4.349 -1.372 6.422 1.00 22.24 C ATOM 569 C TYR A 518 -4.698 -2.839 6.190 1.00 62.11 C ATOM 570 O TYR A 518 -5.079 -3.230 5.086 1.00 22.53 O ATOM 571 CB TYR A 518 -2.856 -1.147 6.178 1.00 2.32 C ATOM 572 CG TYR A 518 -2.552 -0.484 4.853 1.00 31.14 C ATOM 573 CD1 TYR A 518 -2.923 -1.080 3.655 1.00 71.44 C ATOM 574 CD2 TYR A 518 -1.895 0.739 4.801 1.00 41.12 C ATOM 575 CE1 TYR A 518 -2.647 -0.479 2.442 1.00 0.12 C ATOM 576 CE2 TYR A 518 -1.616 1.349 3.593 1.00 61.42 C ATOM 577 CZ TYR A 518 -1.993 0.736 2.416 1.00 35.54 C ATOM 578 OH TYR A 518 -1.718 1.339 1.211 1.00 62.34 O ATOM 0 H TYR A 518 -3.919 -0.669 8.351 1.00 63.24 H new ATOM 0 HA TYR A 518 -4.921 -0.765 5.720 1.00 22.24 H new ATOM 0 HB2 TYR A 518 -2.453 -0.532 6.983 1.00 2.32 H new ATOM 0 HB3 TYR A 518 -2.341 -2.107 6.221 1.00 2.32 H new ATOM 0 HD1 TYR A 518 -3.436 -2.030 3.672 1.00 71.44 H new ATOM 0 HD2 TYR A 518 -1.597 1.221 5.720 1.00 41.12 H new ATOM 0 HE1 TYR A 518 -2.941 -0.957 1.519 1.00 0.12 H new ATOM 0 HE2 TYR A 518 -1.106 2.300 3.570 1.00 61.42 H new ATOM 0 HH TYR A 518 -1.255 2.188 1.368 1.00 62.34 H new ATOM 588 N ILE A 519 -4.565 -3.645 7.238 1.00 72.11 N ATOM 589 CA ILE A 519 -4.868 -5.068 7.150 1.00 62.24 C ATOM 590 C ILE A 519 -6.314 -5.297 6.725 1.00 74.20 C ATOM 591 O ILE A 519 -7.212 -4.550 7.112 1.00 43.12 O ATOM 592 CB ILE A 519 -4.620 -5.781 8.492 1.00 3.11 C ATOM 593 CG1 ILE A 519 -3.157 -5.626 8.914 1.00 11.10 C ATOM 594 CG2 ILE A 519 -4.994 -7.252 8.388 1.00 45.11 C ATOM 595 CD1 ILE A 519 -2.970 -5.495 10.409 1.00 13.54 C ATOM 0 H ILE A 519 -4.249 -3.337 8.158 1.00 72.11 H new ATOM 0 HA ILE A 519 -4.200 -5.486 6.397 1.00 62.24 H new ATOM 0 HB ILE A 519 -5.249 -5.320 9.253 1.00 3.11 H new ATOM 0 HG12 ILE A 519 -2.592 -6.488 8.559 1.00 11.10 H new ATOM 0 HG13 ILE A 519 -2.737 -4.747 8.425 1.00 11.10 H new ATOM 0 HG21 ILE A 519 -4.813 -7.742 9.345 1.00 45.11 H new ATOM 0 HG22 ILE A 519 -6.049 -7.342 8.128 1.00 45.11 H new ATOM 0 HG23 ILE A 519 -4.389 -7.728 7.616 1.00 45.11 H new ATOM 0 HD11 ILE A 519 -1.909 -5.389 10.635 1.00 13.54 H new ATOM 0 HD12 ILE A 519 -3.507 -4.617 10.767 1.00 13.54 H new ATOM 0 HD13 ILE A 519 -3.359 -6.385 10.904 1.00 13.54 H new ATOM 607 N GLY A 520 -6.534 -6.338 5.927 1.00 23.22 N ATOM 608 CA GLY A 520 -7.874 -6.649 5.464 1.00 4.23 C ATOM 609 C GLY A 520 -8.754 -7.202 6.567 1.00 31.21 C ATOM 610 O GLY A 520 -8.984 -6.540 7.578 1.00 50.00 O ATOM 0 H GLY A 520 -5.808 -6.972 5.593 1.00 23.22 H new ATOM 0 HA2 GLY A 520 -8.332 -5.748 5.055 1.00 4.23 H new ATOM 0 HA3 GLY A 520 -7.816 -7.374 4.652 1.00 4.23 H new ATOM 614 N ASN A 521 -9.250 -8.420 6.372 1.00 44.14 N ATOM 615 CA ASN A 521 -10.112 -9.061 7.357 1.00 33.32 C ATOM 616 C ASN A 521 -9.299 -9.941 8.302 1.00 43.40 C ATOM 617 O ASN A 521 -8.590 -10.848 7.865 1.00 3.14 O ATOM 618 CB ASN A 521 -11.184 -9.900 6.658 1.00 14.14 C ATOM 619 CG ASN A 521 -12.089 -9.062 5.775 1.00 22.40 C ATOM 620 OD1 ASN A 521 -13.193 -8.690 6.173 1.00 24.24 O ATOM 621 ND2 ASN A 521 -11.624 -8.762 4.568 1.00 24.10 N ATOM 0 H ASN A 521 -9.069 -8.982 5.540 1.00 44.14 H new ATOM 0 HA ASN A 521 -10.595 -8.279 7.943 1.00 33.32 H new ATOM 0 HB2 ASN A 521 -10.703 -10.670 6.054 1.00 14.14 H new ATOM 0 HB3 ASN A 521 -11.786 -10.413 7.408 1.00 14.14 H new ATOM 0 HD21 ASN A 521 -12.188 -8.202 3.929 1.00 24.10 H new ATOM 0 HD22 ASN A 521 -10.703 -9.092 4.280 1.00 24.10 H new ATOM 628 N ILE A 522 -9.407 -9.666 9.597 1.00 3.44 N ATOM 629 CA ILE A 522 -8.683 -10.432 10.604 1.00 63.54 C ATOM 630 C ILE A 522 -9.643 -11.192 11.513 1.00 53.54 C ATOM 631 O ILE A 522 -10.611 -10.626 12.022 1.00 31.34 O ATOM 632 CB ILE A 522 -7.787 -9.524 11.466 1.00 25.53 C ATOM 633 CG1 ILE A 522 -6.920 -8.632 10.576 1.00 64.02 C ATOM 634 CG2 ILE A 522 -6.917 -10.363 12.391 1.00 33.05 C ATOM 635 CD1 ILE A 522 -7.297 -7.168 10.637 1.00 22.42 C ATOM 0 H ILE A 522 -9.989 -8.918 9.974 1.00 3.44 H new ATOM 0 HA ILE A 522 -8.055 -11.143 10.067 1.00 63.54 H new ATOM 0 HB ILE A 522 -8.424 -8.885 12.078 1.00 25.53 H new ATOM 0 HG12 ILE A 522 -5.877 -8.743 10.871 1.00 64.02 H new ATOM 0 HG13 ILE A 522 -6.998 -8.976 9.545 1.00 64.02 H new ATOM 0 HG21 ILE A 522 -6.289 -9.707 12.994 1.00 33.05 H new ATOM 0 HG22 ILE A 522 -7.552 -10.960 13.046 1.00 33.05 H new ATOM 0 HG23 ILE A 522 -6.286 -11.024 11.797 1.00 33.05 H new ATOM 0 HD11 ILE A 522 -6.641 -6.596 9.981 1.00 22.42 H new ATOM 0 HD12 ILE A 522 -8.331 -7.045 10.313 1.00 22.42 H new ATOM 0 HD13 ILE A 522 -7.192 -6.808 11.660 1.00 22.42 H new ATOM 647 N LYS A 523 -9.369 -12.476 11.713 1.00 3.15 N ATOM 648 CA LYS A 523 -10.206 -13.314 12.564 1.00 42.11 C ATOM 649 C LYS A 523 -9.386 -13.940 13.687 1.00 4.13 C ATOM 650 O LYS A 523 -8.183 -14.163 13.542 1.00 42.42 O ATOM 651 CB LYS A 523 -10.874 -14.412 11.733 1.00 14.25 C ATOM 652 CG LYS A 523 -12.092 -15.025 12.403 1.00 12.52 C ATOM 653 CD LYS A 523 -12.381 -16.417 11.869 1.00 63.41 C ATOM 654 CE LYS A 523 -13.857 -16.766 11.989 1.00 45.44 C ATOM 655 NZ LYS A 523 -14.081 -18.238 11.988 1.00 2.23 N ATOM 0 H LYS A 523 -8.573 -12.960 11.297 1.00 3.15 H new ATOM 0 HA LYS A 523 -10.976 -12.683 13.009 1.00 42.11 H new ATOM 0 HB2 LYS A 523 -11.170 -13.998 10.769 1.00 14.25 H new ATOM 0 HB3 LYS A 523 -10.146 -15.198 11.532 1.00 14.25 H new ATOM 0 HG2 LYS A 523 -11.930 -15.074 13.480 1.00 12.52 H new ATOM 0 HG3 LYS A 523 -12.959 -14.385 12.240 1.00 12.52 H new ATOM 0 HD2 LYS A 523 -12.076 -16.478 10.824 1.00 63.41 H new ATOM 0 HD3 LYS A 523 -11.788 -17.149 12.417 1.00 63.41 H new ATOM 0 HE2 LYS A 523 -14.258 -16.338 12.908 1.00 45.44 H new ATOM 0 HE3 LYS A 523 -14.405 -16.315 11.162 1.00 45.44 H new ATOM 0 HZ1 LYS A 523 -14.988 -18.451 11.526 1.00 2.23 H new ATOM 0 HZ2 LYS A 523 -13.310 -18.706 11.470 1.00 2.23 H new ATOM 0 HZ3 LYS A 523 -14.101 -18.587 12.968 1.00 2.23 H new ATOM 669 N LEU A 524 -10.043 -14.223 14.806 1.00 2.14 N ATOM 670 CA LEU A 524 -9.375 -14.825 15.955 1.00 65.32 C ATOM 671 C LEU A 524 -10.300 -15.802 16.673 1.00 71.34 C ATOM 672 O LEU A 524 -11.058 -15.416 17.562 1.00 13.23 O ATOM 673 CB LEU A 524 -8.908 -13.739 16.926 1.00 34.30 C ATOM 674 CG LEU A 524 -7.896 -14.176 17.986 1.00 73.02 C ATOM 675 CD1 LEU A 524 -8.570 -15.032 19.047 1.00 72.33 C ATOM 676 CD2 LEU A 524 -6.742 -14.931 17.342 1.00 35.12 C ATOM 0 H LEU A 524 -11.038 -14.045 14.943 1.00 2.14 H new ATOM 0 HA LEU A 524 -8.507 -15.376 15.592 1.00 65.32 H new ATOM 0 HB2 LEU A 524 -8.469 -12.926 16.347 1.00 34.30 H new ATOM 0 HB3 LEU A 524 -9.783 -13.333 17.433 1.00 34.30 H new ATOM 0 HG LEU A 524 -7.496 -13.284 18.469 1.00 73.02 H new ATOM 0 HD11 LEU A 524 -7.834 -15.334 19.793 1.00 72.33 H new ATOM 0 HD12 LEU A 524 -9.361 -14.458 19.529 1.00 72.33 H new ATOM 0 HD13 LEU A 524 -8.998 -15.919 18.581 1.00 72.33 H new ATOM 0 HD21 LEU A 524 -6.031 -15.234 18.111 1.00 35.12 H new ATOM 0 HD22 LEU A 524 -7.125 -15.815 16.833 1.00 35.12 H new ATOM 0 HD23 LEU A 524 -6.242 -14.285 16.621 1.00 35.12 H new ATOM 688 N PHE A 525 -10.231 -17.071 16.282 1.00 51.53 N ATOM 689 CA PHE A 525 -11.062 -18.104 16.889 1.00 40.14 C ATOM 690 C PHE A 525 -10.350 -18.747 18.075 1.00 11.44 C ATOM 691 O PHE A 525 -9.342 -18.234 18.560 1.00 11.43 O ATOM 692 CB PHE A 525 -11.420 -19.173 15.854 1.00 31.03 C ATOM 693 CG PHE A 525 -12.887 -19.490 15.803 1.00 54.31 C ATOM 694 CD1 PHE A 525 -13.348 -20.758 16.119 1.00 5.30 C ATOM 695 CD2 PHE A 525 -13.807 -18.519 15.438 1.00 64.32 C ATOM 696 CE1 PHE A 525 -14.697 -21.052 16.073 1.00 32.41 C ATOM 697 CE2 PHE A 525 -15.157 -18.808 15.391 1.00 54.15 C ATOM 698 CZ PHE A 525 -15.603 -20.076 15.707 1.00 31.33 C ATOM 0 H PHE A 525 -9.608 -17.408 15.548 1.00 51.53 H new ATOM 0 HA PHE A 525 -11.978 -17.635 17.248 1.00 40.14 H new ATOM 0 HB2 PHE A 525 -11.094 -18.837 14.869 1.00 31.03 H new ATOM 0 HB3 PHE A 525 -10.867 -20.085 16.079 1.00 31.03 H new ATOM 0 HD1 PHE A 525 -12.644 -21.526 16.405 1.00 5.30 H new ATOM 0 HD2 PHE A 525 -13.464 -17.526 15.188 1.00 64.32 H new ATOM 0 HE1 PHE A 525 -15.043 -22.044 16.323 1.00 32.41 H new ATOM 0 HE2 PHE A 525 -15.864 -18.042 15.107 1.00 54.15 H new ATOM 0 HZ PHE A 525 -16.658 -20.304 15.668 1.00 31.33 H new ATOM 708 N ALA A 526 -10.883 -19.873 18.538 1.00 11.33 N ATOM 709 CA ALA A 526 -10.299 -20.587 19.667 1.00 40.22 C ATOM 710 C ALA A 526 -8.937 -21.169 19.303 1.00 52.41 C ATOM 711 O ALA A 526 -7.980 -21.059 20.069 1.00 31.32 O ATOM 712 CB ALA A 526 -11.237 -21.689 20.137 1.00 52.51 C ATOM 0 H ALA A 526 -11.718 -20.310 18.149 1.00 11.33 H new ATOM 0 HA ALA A 526 -10.156 -19.875 20.480 1.00 40.22 H new ATOM 0 HB1 ALA A 526 -10.788 -22.214 20.980 1.00 52.51 H new ATOM 0 HB2 ALA A 526 -12.186 -21.252 20.446 1.00 52.51 H new ATOM 0 HB3 ALA A 526 -11.409 -22.392 19.322 1.00 52.51 H new ATOM 718 N SER A 527 -8.858 -21.788 18.129 1.00 3.34 N ATOM 719 CA SER A 527 -7.614 -22.391 17.666 1.00 4.01 C ATOM 720 C SER A 527 -7.359 -22.053 16.200 1.00 31.42 C ATOM 721 O SER A 527 -6.796 -22.856 15.455 1.00 73.11 O ATOM 722 CB SER A 527 -7.658 -23.909 17.851 1.00 13.14 C ATOM 723 OG SER A 527 -7.487 -24.262 19.213 1.00 3.20 O ATOM 0 H SER A 527 -9.640 -21.885 17.482 1.00 3.34 H new ATOM 0 HA SER A 527 -6.798 -21.983 18.262 1.00 4.01 H new ATOM 0 HB2 SER A 527 -8.611 -24.295 17.489 1.00 13.14 H new ATOM 0 HB3 SER A 527 -6.876 -24.375 17.251 1.00 13.14 H new ATOM 0 HG SER A 527 -7.521 -25.237 19.305 1.00 3.20 H new ATOM 729 N HIS A 528 -7.778 -20.859 15.793 1.00 21.31 N ATOM 730 CA HIS A 528 -7.595 -20.414 14.416 1.00 14.32 C ATOM 731 C HIS A 528 -7.594 -18.890 14.334 1.00 21.20 C ATOM 732 O HIS A 528 -8.025 -18.208 15.264 1.00 74.35 O ATOM 733 CB HIS A 528 -8.698 -20.983 13.523 1.00 31.12 C ATOM 734 CG HIS A 528 -8.466 -22.406 13.119 1.00 71.41 C ATOM 735 ND1 HIS A 528 -8.980 -23.480 13.815 1.00 12.00 N ATOM 736 CD2 HIS A 528 -7.771 -22.930 12.082 1.00 75.21 C ATOM 737 CE1 HIS A 528 -8.610 -24.603 13.225 1.00 54.52 C ATOM 738 NE2 HIS A 528 -7.876 -24.297 12.170 1.00 14.42 N ATOM 0 H HIS A 528 -8.246 -20.183 16.396 1.00 21.31 H new ATOM 0 HA HIS A 528 -6.630 -20.781 14.067 1.00 14.32 H new ATOM 0 HB2 HIS A 528 -9.651 -20.913 14.048 1.00 31.12 H new ATOM 0 HB3 HIS A 528 -8.782 -20.368 12.627 1.00 31.12 H new ATOM 0 HD2 HIS A 528 -7.234 -22.376 11.326 1.00 75.21 H new ATOM 0 HE1 HIS A 528 -8.864 -25.601 13.550 1.00 54.52 H new ATOM 0 HE2 HIS A 528 -7.456 -24.967 11.526 1.00 14.42 H new ATOM 746 N SER A 529 -7.105 -18.363 13.216 1.00 72.11 N ATOM 747 CA SER A 529 -7.043 -16.920 13.014 1.00 32.24 C ATOM 748 C SER A 529 -6.737 -16.588 11.557 1.00 10.12 C ATOM 749 O SER A 529 -5.844 -17.178 10.947 1.00 15.31 O ATOM 750 CB SER A 529 -5.980 -16.302 13.924 1.00 31.15 C ATOM 751 OG SER A 529 -5.013 -17.265 14.305 1.00 4.25 O ATOM 0 H SER A 529 -6.746 -18.914 12.436 1.00 72.11 H new ATOM 0 HA SER A 529 -8.017 -16.500 13.267 1.00 32.24 H new ATOM 0 HB2 SER A 529 -5.491 -15.475 13.408 1.00 31.15 H new ATOM 0 HB3 SER A 529 -6.455 -15.887 14.813 1.00 31.15 H new ATOM 0 HG SER A 529 -5.291 -17.695 15.141 1.00 4.25 H new ATOM 757 N THR A 530 -7.485 -15.638 11.004 1.00 64.04 N ATOM 758 CA THR A 530 -7.296 -15.227 9.618 1.00 5.33 C ATOM 759 C THR A 530 -6.757 -13.803 9.536 1.00 24.21 C ATOM 760 O THR A 530 -6.834 -13.044 10.502 1.00 2.33 O ATOM 761 CB THR A 530 -8.612 -15.312 8.822 1.00 25.13 C ATOM 762 OG1 THR A 530 -9.475 -14.229 9.185 1.00 44.50 O ATOM 763 CG2 THR A 530 -9.315 -16.636 9.080 1.00 12.25 C ATOM 0 H THR A 530 -8.227 -15.139 11.495 1.00 64.04 H new ATOM 0 HA THR A 530 -6.571 -15.913 9.181 1.00 5.33 H new ATOM 0 HB THR A 530 -8.374 -15.246 7.760 1.00 25.13 H new ATOM 0 HG1 THR A 530 -10.309 -14.289 8.673 1.00 44.50 H new ATOM 0 HG21 THR A 530 -10.242 -16.673 8.507 1.00 12.25 H new ATOM 0 HG22 THR A 530 -8.667 -17.458 8.775 1.00 12.25 H new ATOM 0 HG23 THR A 530 -9.541 -16.727 10.142 1.00 12.25 H new ATOM 771 N ILE A 531 -6.212 -13.448 8.378 1.00 42.25 N ATOM 772 CA ILE A 531 -5.662 -12.114 8.170 1.00 62.02 C ATOM 773 C ILE A 531 -5.254 -11.908 6.715 1.00 63.20 C ATOM 774 O ILE A 531 -4.682 -12.800 6.089 1.00 50.12 O ATOM 775 CB ILE A 531 -4.441 -11.861 9.074 1.00 32.23 C ATOM 776 CG1 ILE A 531 -3.845 -10.481 8.790 1.00 72.14 C ATOM 777 CG2 ILE A 531 -3.396 -12.948 8.870 1.00 53.12 C ATOM 778 CD1 ILE A 531 -3.203 -9.839 9.999 1.00 23.12 C ATOM 0 H ILE A 531 -6.139 -14.065 7.569 1.00 42.25 H new ATOM 0 HA ILE A 531 -6.449 -11.405 8.428 1.00 62.02 H new ATOM 0 HB ILE A 531 -4.766 -11.888 10.114 1.00 32.23 H new ATOM 0 HG12 ILE A 531 -3.101 -10.572 7.999 1.00 72.14 H new ATOM 0 HG13 ILE A 531 -4.631 -9.825 8.415 1.00 72.14 H new ATOM 0 HG21 ILE A 531 -2.539 -12.755 9.516 1.00 53.12 H new ATOM 0 HG22 ILE A 531 -3.827 -13.918 9.119 1.00 53.12 H new ATOM 0 HG23 ILE A 531 -3.072 -12.951 7.829 1.00 53.12 H new ATOM 0 HD11 ILE A 531 -2.802 -8.864 9.723 1.00 23.12 H new ATOM 0 HD12 ILE A 531 -3.949 -9.716 10.785 1.00 23.12 H new ATOM 0 HD13 ILE A 531 -2.395 -10.474 10.362 1.00 23.12 H new ATOM 790 N GLU A 532 -5.550 -10.726 6.184 1.00 12.24 N ATOM 791 CA GLU A 532 -5.213 -10.403 4.803 1.00 2.11 C ATOM 792 C GLU A 532 -4.214 -9.251 4.742 1.00 23.01 C ATOM 793 O GLU A 532 -4.496 -8.144 5.203 1.00 21.33 O ATOM 794 CB GLU A 532 -6.475 -10.040 4.018 1.00 41.01 C ATOM 795 CG GLU A 532 -6.224 -9.803 2.538 1.00 11.22 C ATOM 796 CD GLU A 532 -7.460 -10.037 1.692 1.00 73.30 C ATOM 797 OE1 GLU A 532 -7.314 -10.506 0.544 1.00 70.20 O ATOM 798 OE2 GLU A 532 -8.575 -9.752 2.179 1.00 45.13 O ATOM 0 H GLU A 532 -6.022 -9.976 6.689 1.00 12.24 H new ATOM 0 HA GLU A 532 -4.754 -11.283 4.353 1.00 2.11 H new ATOM 0 HB2 GLU A 532 -7.206 -10.841 4.130 1.00 41.01 H new ATOM 0 HB3 GLU A 532 -6.917 -9.143 4.451 1.00 41.01 H new ATOM 0 HG2 GLU A 532 -5.876 -8.780 2.391 1.00 11.22 H new ATOM 0 HG3 GLU A 532 -5.426 -10.463 2.198 1.00 11.22 H new ATOM 805 N LEU A 533 -3.045 -9.519 4.170 1.00 30.24 N ATOM 806 CA LEU A 533 -2.002 -8.506 4.049 1.00 74.23 C ATOM 807 C LEU A 533 -1.938 -7.959 2.626 1.00 22.33 C ATOM 808 O LEU A 533 -2.000 -8.702 1.646 1.00 2.21 O ATOM 809 CB LEU A 533 -0.646 -9.092 4.444 1.00 22.11 C ATOM 810 CG LEU A 533 -0.142 -8.734 5.843 1.00 70.23 C ATOM 811 CD1 LEU A 533 -1.217 -9.008 6.883 1.00 4.05 C ATOM 812 CD2 LEU A 533 1.127 -9.509 6.167 1.00 71.10 C ATOM 0 H LEU A 533 -2.796 -10.429 3.783 1.00 30.24 H new ATOM 0 HA LEU A 533 -2.246 -7.685 4.724 1.00 74.23 H new ATOM 0 HB2 LEU A 533 -0.706 -10.178 4.368 1.00 22.11 H new ATOM 0 HB3 LEU A 533 0.096 -8.762 3.717 1.00 22.11 H new ATOM 0 HG LEU A 533 0.092 -7.670 5.864 1.00 70.23 H new ATOM 0 HD11 LEU A 533 -0.841 -8.748 7.872 1.00 4.05 H new ATOM 0 HD12 LEU A 533 -2.100 -8.408 6.661 1.00 4.05 H new ATOM 0 HD13 LEU A 533 -1.482 -10.065 6.862 1.00 4.05 H new ATOM 0 HD21 LEU A 533 1.471 -9.242 7.166 1.00 71.10 H new ATOM 0 HD22 LEU A 533 0.920 -10.578 6.128 1.00 71.10 H new ATOM 0 HD23 LEU A 533 1.900 -9.263 5.439 1.00 71.10 H new ATOM 824 N PRO A 534 -1.808 -6.629 2.509 1.00 71.54 N ATOM 825 CA PRO A 534 -1.729 -5.954 1.210 1.00 13.42 C ATOM 826 C PRO A 534 -0.420 -6.244 0.484 1.00 12.01 C ATOM 827 O PRO A 534 -0.236 -5.849 -0.667 1.00 44.32 O ATOM 828 CB PRO A 534 -1.820 -4.470 1.576 1.00 20.14 C ATOM 829 CG PRO A 534 -1.318 -4.394 2.977 1.00 31.30 C ATOM 830 CD PRO A 534 -1.728 -5.683 3.634 1.00 21.31 C ATOM 0 HA PRO A 534 -2.511 -6.288 0.529 1.00 13.42 H new ATOM 0 HB2 PRO A 534 -1.216 -3.859 0.905 1.00 20.14 H new ATOM 0 HB3 PRO A 534 -2.845 -4.106 1.502 1.00 20.14 H new ATOM 0 HG2 PRO A 534 -0.235 -4.273 2.997 1.00 31.30 H new ATOM 0 HG3 PRO A 534 -1.745 -3.537 3.499 1.00 31.30 H new ATOM 0 HD2 PRO A 534 -0.999 -6.004 4.378 1.00 21.31 H new ATOM 0 HD3 PRO A 534 -2.685 -5.586 4.146 1.00 21.31 H new ATOM 838 N LYS A 535 0.487 -6.938 1.164 1.00 53.52 N ATOM 839 CA LYS A 535 1.779 -7.283 0.584 1.00 70.15 C ATOM 840 C LYS A 535 1.616 -7.788 -0.847 1.00 33.15 C ATOM 841 O LYS A 535 0.610 -8.411 -1.184 1.00 22.40 O ATOM 842 CB LYS A 535 2.475 -8.347 1.435 1.00 64.10 C ATOM 843 CG LYS A 535 2.696 -7.923 2.877 1.00 65.43 C ATOM 844 CD LYS A 535 3.674 -6.764 2.974 1.00 71.04 C ATOM 845 CE LYS A 535 5.103 -7.217 2.716 1.00 11.23 C ATOM 846 NZ LYS A 535 5.684 -7.916 3.896 1.00 70.35 N ATOM 0 H LYS A 535 0.350 -7.272 2.118 1.00 53.52 H new ATOM 0 HA LYS A 535 2.393 -6.382 0.565 1.00 70.15 H new ATOM 0 HB2 LYS A 535 1.879 -9.259 1.421 1.00 64.10 H new ATOM 0 HB3 LYS A 535 3.438 -8.588 0.984 1.00 64.10 H new ATOM 0 HG2 LYS A 535 1.744 -7.635 3.322 1.00 65.43 H new ATOM 0 HG3 LYS A 535 3.074 -8.768 3.452 1.00 65.43 H new ATOM 0 HD2 LYS A 535 3.400 -5.994 2.253 1.00 71.04 H new ATOM 0 HD3 LYS A 535 3.608 -6.312 3.964 1.00 71.04 H new ATOM 0 HE2 LYS A 535 5.123 -7.883 1.853 1.00 11.23 H new ATOM 0 HE3 LYS A 535 5.719 -6.353 2.466 1.00 11.23 H new ATOM 0 HZ1 LYS A 535 6.680 -8.149 3.706 1.00 70.35 H new ATOM 0 HZ2 LYS A 535 5.626 -7.297 4.729 1.00 70.35 H new ATOM 0 HZ3 LYS A 535 5.152 -8.791 4.078 1.00 70.35 H new ATOM 860 N GLY A 536 2.613 -7.516 -1.683 1.00 54.42 N ATOM 861 CA GLY A 536 2.560 -7.951 -3.067 1.00 30.04 C ATOM 862 C GLY A 536 3.800 -8.718 -3.481 1.00 2.14 C ATOM 863 O GLY A 536 4.343 -8.496 -4.563 1.00 12.34 O ATOM 0 H GLY A 536 3.456 -7.002 -1.427 1.00 54.42 H new ATOM 0 HA2 GLY A 536 1.682 -8.580 -3.214 1.00 30.04 H new ATOM 0 HA3 GLY A 536 2.441 -7.082 -3.714 1.00 30.04 H new ATOM 867 N MET A 537 4.251 -9.622 -2.617 1.00 52.00 N ATOM 868 CA MET A 537 5.436 -10.424 -2.899 1.00 53.13 C ATOM 869 C MET A 537 5.680 -11.442 -1.790 1.00 3.42 C ATOM 870 O MET A 537 6.654 -11.357 -1.040 1.00 54.05 O ATOM 871 CB MET A 537 6.661 -9.522 -3.060 1.00 23.42 C ATOM 872 CG MET A 537 7.717 -10.092 -3.994 1.00 35.11 C ATOM 873 SD MET A 537 7.197 -10.077 -5.720 1.00 50.35 S ATOM 874 CE MET A 537 7.979 -11.571 -6.323 1.00 21.33 C ATOM 0 H MET A 537 3.814 -9.817 -1.716 1.00 52.00 H new ATOM 0 HA MET A 537 5.267 -10.963 -3.831 1.00 53.13 H new ATOM 0 HB2 MET A 537 6.340 -8.551 -3.437 1.00 23.42 H new ATOM 0 HB3 MET A 537 7.108 -9.352 -2.081 1.00 23.42 H new ATOM 0 HG2 MET A 537 8.637 -9.517 -3.891 1.00 35.11 H new ATOM 0 HG3 MET A 537 7.946 -11.115 -3.696 1.00 35.11 H new ATOM 0 HE1 MET A 537 7.749 -11.700 -7.381 1.00 21.33 H new ATOM 0 HE2 MET A 537 9.058 -11.495 -6.193 1.00 21.33 H new ATOM 0 HE3 MET A 537 7.606 -12.429 -5.763 1.00 21.33 H new ATOM 884 N PRO A 538 4.777 -12.427 -1.680 1.00 24.40 N ATOM 885 CA PRO A 538 4.874 -13.480 -0.665 1.00 23.33 C ATOM 886 C PRO A 538 6.032 -14.437 -0.930 1.00 75.14 C ATOM 887 O PRO A 538 6.741 -14.307 -1.927 1.00 71.11 O ATOM 888 CB PRO A 538 3.536 -14.213 -0.785 1.00 30.41 C ATOM 889 CG PRO A 538 3.091 -13.963 -2.185 1.00 24.14 C ATOM 890 CD PRO A 538 3.592 -12.590 -2.539 1.00 65.30 C ATOM 0 HA PRO A 538 5.065 -13.072 0.328 1.00 23.33 H new ATOM 0 HB2 PRO A 538 3.650 -15.279 -0.590 1.00 30.41 H new ATOM 0 HB3 PRO A 538 2.811 -13.833 -0.065 1.00 30.41 H new ATOM 0 HG2 PRO A 538 3.497 -14.714 -2.863 1.00 24.14 H new ATOM 0 HG3 PRO A 538 2.005 -14.015 -2.265 1.00 24.14 H new ATOM 0 HD2 PRO A 538 3.849 -12.516 -3.596 1.00 65.30 H new ATOM 0 HD3 PRO A 538 2.842 -11.825 -2.339 1.00 65.30 H new ATOM 898 N GLY A 539 6.216 -15.399 -0.032 1.00 23.44 N ATOM 899 CA GLY A 539 7.289 -16.364 -0.188 1.00 30.41 C ATOM 900 C GLY A 539 8.618 -15.841 0.320 1.00 60.15 C ATOM 901 O GLY A 539 9.669 -16.409 0.024 1.00 51.33 O ATOM 0 H GLY A 539 5.641 -15.528 0.801 1.00 23.44 H new ATOM 0 HA2 GLY A 539 7.033 -17.278 0.348 1.00 30.41 H new ATOM 0 HA3 GLY A 539 7.385 -16.629 -1.241 1.00 30.41 H new ATOM 905 N GLU A 540 8.572 -14.755 1.084 1.00 14.25 N ATOM 906 CA GLU A 540 9.783 -14.154 1.631 1.00 35.24 C ATOM 907 C GLU A 540 10.251 -14.908 2.873 1.00 52.11 C ATOM 908 O GLU A 540 11.376 -15.406 2.923 1.00 15.02 O ATOM 909 CB GLU A 540 9.538 -12.684 1.976 1.00 2.41 C ATOM 910 CG GLU A 540 8.801 -11.918 0.890 1.00 61.20 C ATOM 911 CD GLU A 540 8.924 -10.415 1.049 1.00 22.35 C ATOM 912 OE1 GLU A 540 8.047 -9.814 1.704 1.00 41.45 O ATOM 913 OE2 GLU A 540 9.899 -9.841 0.520 1.00 53.02 O ATOM 0 H GLU A 540 7.710 -14.273 1.338 1.00 14.25 H new ATOM 0 HA GLU A 540 10.564 -14.217 0.873 1.00 35.24 H new ATOM 0 HB2 GLU A 540 8.965 -12.627 2.901 1.00 2.41 H new ATOM 0 HB3 GLU A 540 10.496 -12.199 2.164 1.00 2.41 H new ATOM 0 HG2 GLU A 540 9.193 -12.210 -0.084 1.00 61.20 H new ATOM 0 HG3 GLU A 540 7.747 -12.196 0.906 1.00 61.20 H new ATOM 920 N VAL A 541 9.380 -14.987 3.874 1.00 54.12 N ATOM 921 CA VAL A 541 9.702 -15.680 5.115 1.00 3.44 C ATOM 922 C VAL A 541 9.452 -17.178 4.990 1.00 63.34 C ATOM 923 O VAL A 541 10.161 -17.989 5.587 1.00 31.51 O ATOM 924 CB VAL A 541 8.879 -15.130 6.295 1.00 34.22 C ATOM 925 CG1 VAL A 541 9.308 -15.787 7.598 1.00 3.43 C ATOM 926 CG2 VAL A 541 9.014 -13.617 6.381 1.00 64.54 C ATOM 0 H VAL A 541 8.445 -14.579 3.849 1.00 54.12 H new ATOM 0 HA VAL A 541 10.761 -15.507 5.308 1.00 3.44 H new ATOM 0 HB VAL A 541 7.829 -15.368 6.124 1.00 34.22 H new ATOM 0 HG11 VAL A 541 8.715 -15.386 8.420 1.00 3.43 H new ATOM 0 HG12 VAL A 541 9.153 -16.864 7.531 1.00 3.43 H new ATOM 0 HG13 VAL A 541 10.363 -15.583 7.778 1.00 3.43 H new ATOM 0 HG21 VAL A 541 8.426 -13.246 7.220 1.00 64.54 H new ATOM 0 HG22 VAL A 541 10.061 -13.353 6.527 1.00 64.54 H new ATOM 0 HG23 VAL A 541 8.652 -13.166 5.457 1.00 64.54 H new ATOM 936 N LEU A 542 8.441 -17.540 4.208 1.00 13.02 N ATOM 937 CA LEU A 542 8.096 -18.943 4.003 1.00 45.45 C ATOM 938 C LEU A 542 9.224 -19.681 3.289 1.00 61.05 C ATOM 939 O LEU A 542 9.329 -20.904 3.374 1.00 74.22 O ATOM 940 CB LEU A 542 6.804 -19.057 3.193 1.00 34.41 C ATOM 941 CG LEU A 542 5.507 -18.788 3.958 1.00 71.34 C ATOM 942 CD1 LEU A 542 5.141 -17.314 3.885 1.00 74.10 C ATOM 943 CD2 LEU A 542 4.377 -19.648 3.410 1.00 31.24 C ATOM 0 H LEU A 542 7.846 -16.882 3.705 1.00 13.02 H new ATOM 0 HA LEU A 542 7.947 -19.402 4.980 1.00 45.45 H new ATOM 0 HB2 LEU A 542 6.860 -18.360 2.357 1.00 34.41 H new ATOM 0 HB3 LEU A 542 6.751 -20.060 2.769 1.00 34.41 H new ATOM 0 HG LEU A 542 5.663 -19.051 5.004 1.00 71.34 H new ATOM 0 HD11 LEU A 542 4.216 -17.141 4.435 1.00 74.10 H new ATOM 0 HD12 LEU A 542 5.941 -16.718 4.325 1.00 74.10 H new ATOM 0 HD13 LEU A 542 5.004 -17.024 2.843 1.00 74.10 H new ATOM 0 HD21 LEU A 542 3.462 -19.444 3.966 1.00 31.24 H new ATOM 0 HD22 LEU A 542 4.221 -19.416 2.356 1.00 31.24 H new ATOM 0 HD23 LEU A 542 4.638 -20.701 3.515 1.00 31.24 H new ATOM 955 N GLN A 543 10.066 -18.929 2.587 1.00 0.11 N ATOM 956 CA GLN A 543 11.187 -19.513 1.860 1.00 51.31 C ATOM 957 C GLN A 543 12.343 -19.828 2.803 1.00 1.43 C ATOM 958 O GLN A 543 12.777 -20.975 2.909 1.00 62.24 O ATOM 959 CB GLN A 543 11.657 -18.563 0.757 1.00 2.42 C ATOM 960 CG GLN A 543 11.057 -18.868 -0.606 1.00 11.33 C ATOM 961 CD GLN A 543 11.813 -19.953 -1.347 1.00 11.23 C ATOM 962 OE1 GLN A 543 13.030 -20.079 -1.213 1.00 65.11 O ATOM 963 NE2 GLN A 543 11.093 -20.744 -2.134 1.00 45.10 N ATOM 0 H GLN A 543 9.993 -17.915 2.506 1.00 0.11 H new ATOM 0 HA GLN A 543 10.848 -20.445 1.407 1.00 51.31 H new ATOM 0 HB2 GLN A 543 11.402 -17.541 1.036 1.00 2.42 H new ATOM 0 HB3 GLN A 543 12.744 -18.612 0.686 1.00 2.42 H new ATOM 0 HG2 GLN A 543 10.018 -19.175 -0.481 1.00 11.33 H new ATOM 0 HG3 GLN A 543 11.051 -17.959 -1.208 1.00 11.33 H new ATOM 0 HE21 GLN A 543 10.086 -20.603 -2.215 1.00 45.10 H new ATOM 0 HE22 GLN A 543 11.547 -21.492 -2.658 1.00 45.10 H new ATOM 972 N HIS A 544 12.838 -18.801 3.488 1.00 64.33 N ATOM 973 CA HIS A 544 13.945 -18.969 4.423 1.00 11.11 C ATOM 974 C HIS A 544 13.493 -19.722 5.670 1.00 34.43 C ATOM 975 O HIS A 544 14.063 -20.754 6.026 1.00 71.13 O ATOM 976 CB HIS A 544 14.519 -17.607 4.816 1.00 60.31 C ATOM 977 CG HIS A 544 15.267 -16.931 3.709 1.00 53.53 C ATOM 978 ND1 HIS A 544 16.316 -16.063 3.929 1.00 20.52 N ATOM 979 CD2 HIS A 544 15.113 -16.999 2.366 1.00 51.24 C ATOM 980 CE1 HIS A 544 16.774 -15.626 2.770 1.00 61.33 C ATOM 981 NE2 HIS A 544 16.061 -16.179 1.805 1.00 64.31 N ATOM 0 H HIS A 544 12.490 -17.845 3.413 1.00 64.33 H new ATOM 0 HA HIS A 544 14.721 -19.553 3.928 1.00 11.11 H new ATOM 0 HB2 HIS A 544 13.705 -16.959 5.142 1.00 60.31 H new ATOM 0 HB3 HIS A 544 15.186 -17.735 5.669 1.00 60.31 H new ATOM 0 HD2 HIS A 544 14.381 -17.589 1.834 1.00 51.24 H new ATOM 0 HE1 HIS A 544 17.592 -14.934 2.634 1.00 61.33 H new ATOM 0 HE2 HIS A 544 16.193 -16.022 0.806 1.00 64.31 H new ATOM 989 N PHE A 545 12.465 -19.200 6.331 1.00 10.13 N ATOM 990 CA PHE A 545 11.937 -19.822 7.540 1.00 63.32 C ATOM 991 C PHE A 545 10.823 -20.809 7.202 1.00 42.43 C ATOM 992 O PHE A 545 9.780 -20.834 7.856 1.00 41.00 O ATOM 993 CB PHE A 545 11.414 -18.754 8.502 1.00 35.11 C ATOM 994 CG PHE A 545 12.437 -17.714 8.858 1.00 61.11 C ATOM 995 CD1 PHE A 545 13.133 -17.788 10.054 1.00 75.11 C ATOM 996 CD2 PHE A 545 12.703 -16.662 7.996 1.00 3.04 C ATOM 997 CE1 PHE A 545 14.075 -16.833 10.384 1.00 4.13 C ATOM 998 CE2 PHE A 545 13.645 -15.704 8.321 1.00 22.21 C ATOM 999 CZ PHE A 545 14.331 -15.789 9.517 1.00 2.00 C ATOM 0 H PHE A 545 11.981 -18.347 6.050 1.00 10.13 H new ATOM 0 HA PHE A 545 12.748 -20.368 8.022 1.00 63.32 H new ATOM 0 HB2 PHE A 545 10.550 -18.264 8.053 1.00 35.11 H new ATOM 0 HB3 PHE A 545 11.067 -19.238 9.415 1.00 35.11 H new ATOM 0 HD1 PHE A 545 12.937 -18.602 10.736 1.00 75.11 H new ATOM 0 HD2 PHE A 545 12.169 -16.590 7.060 1.00 3.04 H new ATOM 0 HE1 PHE A 545 14.611 -16.903 11.319 1.00 4.13 H new ATOM 0 HE2 PHE A 545 13.845 -14.890 7.640 1.00 22.21 H new ATOM 0 HZ PHE A 545 15.066 -15.040 9.774 1.00 2.00 H new ATOM 1009 N THR A 546 11.051 -21.620 6.174 1.00 63.51 N ATOM 1010 CA THR A 546 10.068 -22.607 5.747 1.00 71.54 C ATOM 1011 C THR A 546 9.835 -23.656 6.828 1.00 4.04 C ATOM 1012 O THR A 546 8.769 -24.268 6.893 1.00 24.55 O ATOM 1013 CB THR A 546 10.507 -23.313 4.450 1.00 70.04 C ATOM 1014 OG1 THR A 546 9.427 -24.096 3.928 1.00 43.40 O ATOM 1015 CG2 THR A 546 11.712 -24.206 4.701 1.00 23.41 C ATOM 0 H THR A 546 11.908 -21.612 5.622 1.00 63.51 H new ATOM 0 HA THR A 546 9.139 -22.067 5.562 1.00 71.54 H new ATOM 0 HB THR A 546 10.786 -22.549 3.724 1.00 70.04 H new ATOM 0 HG1 THR A 546 9.714 -24.540 3.103 1.00 43.40 H new ATOM 0 HG21 THR A 546 12.003 -24.694 3.771 1.00 23.41 H new ATOM 0 HG22 THR A 546 12.541 -23.603 5.070 1.00 23.41 H new ATOM 0 HG23 THR A 546 11.456 -24.963 5.443 1.00 23.41 H new ATOM 1023 N ARG A 547 10.839 -23.858 7.676 1.00 11.50 N ATOM 1024 CA ARG A 547 10.743 -24.833 8.755 1.00 22.03 C ATOM 1025 C ARG A 547 10.602 -24.137 10.106 1.00 74.40 C ATOM 1026 O ARG A 547 10.397 -24.786 11.133 1.00 54.23 O ATOM 1027 CB ARG A 547 11.976 -25.739 8.763 1.00 34.31 C ATOM 1028 CG ARG A 547 13.267 -25.008 9.092 1.00 30.32 C ATOM 1029 CD ARG A 547 13.602 -25.108 10.572 1.00 31.22 C ATOM 1030 NE ARG A 547 14.978 -24.706 10.850 1.00 11.33 N ATOM 1031 CZ ARG A 547 16.026 -25.504 10.680 1.00 31.11 C ATOM 1032 NH1 ARG A 547 15.856 -26.741 10.235 1.00 75.24 N ATOM 1033 NH2 ARG A 547 17.248 -25.065 10.955 1.00 35.12 N ATOM 0 H ARG A 547 11.728 -23.359 7.636 1.00 11.50 H new ATOM 0 HA ARG A 547 9.854 -25.441 8.584 1.00 22.03 H new ATOM 0 HB2 ARG A 547 11.825 -26.537 9.490 1.00 34.31 H new ATOM 0 HB3 ARG A 547 12.075 -26.212 7.786 1.00 34.31 H new ATOM 0 HG2 ARG A 547 14.084 -25.427 8.504 1.00 30.32 H new ATOM 0 HG3 ARG A 547 13.175 -23.959 8.809 1.00 30.32 H new ATOM 0 HD2 ARG A 547 12.918 -24.479 11.142 1.00 31.22 H new ATOM 0 HD3 ARG A 547 13.448 -26.133 10.910 1.00 31.22 H new ATOM 0 HE ARG A 547 15.143 -23.760 11.194 1.00 11.33 H new ATOM 0 HH11 ARG A 547 14.919 -27.082 10.022 1.00 75.24 H new ATOM 0 HH12 ARG A 547 16.663 -27.352 10.105 1.00 75.24 H new ATOM 0 HH21 ARG A 547 17.383 -24.114 11.297 1.00 35.12 H new ATOM 0 HH22 ARG A 547 18.052 -25.679 10.824 1.00 35.12 H new ATOM 1047 N THR A 548 10.713 -22.813 10.098 1.00 12.52 N ATOM 1048 CA THR A 548 10.599 -22.029 11.322 1.00 41.24 C ATOM 1049 C THR A 548 9.379 -21.116 11.279 1.00 73.33 C ATOM 1050 O THR A 548 9.266 -20.255 10.406 1.00 62.41 O ATOM 1051 CB THR A 548 11.858 -21.173 11.560 1.00 74.13 C ATOM 1052 OG1 THR A 548 13.012 -22.015 11.656 1.00 34.42 O ATOM 1053 CG2 THR A 548 11.718 -20.348 12.830 1.00 44.42 C ATOM 0 H THR A 548 10.882 -22.260 9.257 1.00 12.52 H new ATOM 0 HA THR A 548 10.490 -22.738 12.142 1.00 41.24 H new ATOM 0 HB THR A 548 11.974 -20.494 10.715 1.00 74.13 H new ATOM 0 HG1 THR A 548 13.808 -21.463 11.805 1.00 34.42 H new ATOM 0 HG21 THR A 548 12.618 -19.752 12.978 1.00 44.42 H new ATOM 0 HG22 THR A 548 10.856 -19.687 12.741 1.00 44.42 H new ATOM 0 HG23 THR A 548 11.579 -21.013 13.682 1.00 44.42 H new ATOM 1061 N ARG A 549 8.467 -21.310 12.226 1.00 3.23 N ATOM 1062 CA ARG A 549 7.254 -20.504 12.296 1.00 44.12 C ATOM 1063 C ARG A 549 6.743 -20.414 13.731 1.00 41.43 C ATOM 1064 O ARG A 549 7.311 -21.017 14.641 1.00 4.35 O ATOM 1065 CB ARG A 549 6.171 -21.096 11.393 1.00 34.22 C ATOM 1066 CG ARG A 549 6.396 -20.828 9.914 1.00 22.32 C ATOM 1067 CD ARG A 549 6.974 -22.045 9.209 1.00 24.54 C ATOM 1068 NE ARG A 549 6.002 -22.677 8.321 1.00 2.22 N ATOM 1069 CZ ARG A 549 5.755 -22.257 7.085 1.00 22.52 C ATOM 1070 NH1 ARG A 549 6.406 -21.212 6.594 1.00 61.23 N ATOM 1071 NH2 ARG A 549 4.856 -22.884 6.338 1.00 73.51 N ATOM 0 H ARG A 549 8.545 -22.019 12.956 1.00 3.23 H new ATOM 0 HA ARG A 549 7.495 -19.498 11.951 1.00 44.12 H new ATOM 0 HB2 ARG A 549 6.124 -22.173 11.555 1.00 34.22 H new ATOM 0 HB3 ARG A 549 5.204 -20.687 11.684 1.00 34.22 H new ATOM 0 HG2 ARG A 549 5.452 -20.549 9.446 1.00 22.32 H new ATOM 0 HG3 ARG A 549 7.073 -19.982 9.795 1.00 22.32 H new ATOM 0 HD2 ARG A 549 7.851 -21.748 8.634 1.00 24.54 H new ATOM 0 HD3 ARG A 549 7.310 -22.768 9.952 1.00 24.54 H new ATOM 0 HE ARG A 549 5.485 -23.485 8.669 1.00 2.22 H new ATOM 0 HH11 ARG A 549 7.099 -20.728 7.165 1.00 61.23 H new ATOM 0 HH12 ARG A 549 6.214 -20.892 5.645 1.00 61.23 H new ATOM 0 HH21 ARG A 549 4.354 -23.689 6.712 1.00 73.51 H new ATOM 0 HH22 ARG A 549 4.667 -22.561 5.389 1.00 73.51 H new ATOM 1085 N ILE A 550 5.668 -19.656 13.924 1.00 64.53 N ATOM 1086 CA ILE A 550 5.081 -19.488 15.247 1.00 71.10 C ATOM 1087 C ILE A 550 3.687 -18.876 15.156 1.00 62.02 C ATOM 1088 O ILE A 550 3.185 -18.609 14.063 1.00 14.15 O ATOM 1089 CB ILE A 550 5.962 -18.600 16.145 1.00 12.50 C ATOM 1090 CG1 ILE A 550 5.747 -18.953 17.618 1.00 34.40 C ATOM 1091 CG2 ILE A 550 5.657 -17.130 15.898 1.00 42.42 C ATOM 1092 CD1 ILE A 550 7.032 -19.218 18.370 1.00 43.40 C ATOM 0 H ILE A 550 5.187 -19.149 13.181 1.00 64.53 H new ATOM 0 HA ILE A 550 5.011 -20.482 15.690 1.00 71.10 H new ATOM 0 HB ILE A 550 7.008 -18.782 15.896 1.00 12.50 H new ATOM 0 HG12 ILE A 550 5.213 -18.137 18.104 1.00 34.40 H new ATOM 0 HG13 ILE A 550 5.109 -19.835 17.683 1.00 34.40 H new ATOM 0 HG21 ILE A 550 6.287 -16.515 16.540 1.00 42.42 H new ATOM 0 HG22 ILE A 550 5.856 -16.888 14.854 1.00 42.42 H new ATOM 0 HG23 ILE A 550 4.609 -16.933 16.123 1.00 42.42 H new ATOM 0 HD11 ILE A 550 6.803 -19.462 19.407 1.00 43.40 H new ATOM 0 HD12 ILE A 550 7.558 -20.054 17.908 1.00 43.40 H new ATOM 0 HD13 ILE A 550 7.663 -18.330 18.337 1.00 43.40 H new ATOM 1104 N LEU A 551 3.068 -18.655 16.310 1.00 51.50 N ATOM 1105 CA LEU A 551 1.732 -18.071 16.362 1.00 73.43 C ATOM 1106 C LEU A 551 1.555 -17.017 15.273 1.00 20.43 C ATOM 1107 O LEU A 551 0.516 -16.957 14.617 1.00 44.01 O ATOM 1108 CB LEU A 551 1.478 -17.449 17.736 1.00 60.40 C ATOM 1109 CG LEU A 551 2.357 -16.253 18.104 1.00 71.41 C ATOM 1110 CD1 LEU A 551 1.678 -14.951 17.709 1.00 4.11 C ATOM 1111 CD2 LEU A 551 2.674 -16.262 19.592 1.00 34.23 C ATOM 0 H LEU A 551 3.469 -18.871 17.222 1.00 51.50 H new ATOM 0 HA LEU A 551 1.008 -18.868 16.192 1.00 73.43 H new ATOM 0 HB2 LEU A 551 0.435 -17.136 17.784 1.00 60.40 H new ATOM 0 HB3 LEU A 551 1.614 -18.221 18.493 1.00 60.40 H new ATOM 0 HG LEU A 551 3.294 -16.332 17.553 1.00 71.41 H new ATOM 0 HD11 LEU A 551 2.318 -14.111 17.978 1.00 4.11 H new ATOM 0 HD12 LEU A 551 1.503 -14.944 16.633 1.00 4.11 H new ATOM 0 HD13 LEU A 551 0.726 -14.864 18.232 1.00 4.11 H new ATOM 0 HD21 LEU A 551 3.300 -15.404 19.836 1.00 34.23 H new ATOM 0 HD22 LEU A 551 1.746 -16.208 20.162 1.00 34.23 H new ATOM 0 HD23 LEU A 551 3.203 -17.181 19.846 1.00 34.23 H new ATOM 1123 N ASN A 552 2.578 -16.190 15.087 1.00 41.33 N ATOM 1124 CA ASN A 552 2.537 -15.139 14.076 1.00 15.23 C ATOM 1125 C ASN A 552 2.771 -15.714 12.683 1.00 73.21 C ATOM 1126 O ASN A 552 1.903 -15.636 11.813 1.00 44.04 O ATOM 1127 CB ASN A 552 3.586 -14.068 14.381 1.00 11.21 C ATOM 1128 CG ASN A 552 2.978 -12.685 14.515 1.00 4.21 C ATOM 1129 OD1 ASN A 552 2.655 -12.241 15.617 1.00 50.22 O ATOM 1130 ND2 ASN A 552 2.820 -11.997 13.390 1.00 3.33 N ATOM 0 H ASN A 552 3.445 -16.227 15.623 1.00 41.33 H new ATOM 0 HA ASN A 552 1.546 -14.685 14.100 1.00 15.23 H new ATOM 0 HB2 ASN A 552 4.105 -14.325 15.304 1.00 11.21 H new ATOM 0 HB3 ASN A 552 4.333 -14.058 13.587 1.00 11.21 H new ATOM 0 HD21 ASN A 552 2.417 -11.061 13.417 1.00 3.33 H new ATOM 0 HD22 ASN A 552 3.102 -12.405 12.499 1.00 3.33 H new ATOM 1137 N LYS A 553 3.949 -16.293 12.478 1.00 20.33 N ATOM 1138 CA LYS A 553 4.299 -16.884 11.192 1.00 34.41 C ATOM 1139 C LYS A 553 3.344 -18.020 10.838 1.00 52.13 C ATOM 1140 O LYS A 553 2.631 -18.552 11.689 1.00 54.23 O ATOM 1141 CB LYS A 553 5.738 -17.404 11.221 1.00 73.13 C ATOM 1142 CG LYS A 553 6.683 -16.533 12.030 1.00 40.24 C ATOM 1143 CD LYS A 553 6.613 -15.079 11.593 1.00 60.22 C ATOM 1144 CE LYS A 553 6.978 -14.920 10.125 1.00 72.13 C ATOM 1145 NZ LYS A 553 7.868 -13.748 9.898 1.00 11.12 N ATOM 0 H LYS A 553 4.679 -16.366 13.187 1.00 20.33 H new ATOM 0 HA LYS A 553 4.214 -16.110 10.429 1.00 34.41 H new ATOM 0 HB2 LYS A 553 5.743 -18.412 11.635 1.00 73.13 H new ATOM 0 HB3 LYS A 553 6.110 -17.477 10.199 1.00 73.13 H new ATOM 0 HG2 LYS A 553 6.433 -16.608 13.088 1.00 40.24 H new ATOM 0 HG3 LYS A 553 7.703 -16.899 11.917 1.00 40.24 H new ATOM 0 HD2 LYS A 553 5.607 -14.695 11.763 1.00 60.22 H new ATOM 0 HD3 LYS A 553 7.289 -14.481 12.204 1.00 60.22 H new ATOM 0 HE2 LYS A 553 7.473 -15.825 9.774 1.00 72.13 H new ATOM 0 HE3 LYS A 553 6.069 -14.805 9.535 1.00 72.13 H new ATOM 0 HZ1 LYS A 553 7.563 -13.241 9.043 1.00 11.12 H new ATOM 0 HZ2 LYS A 553 7.816 -13.109 10.717 1.00 11.12 H new ATOM 0 HZ3 LYS A 553 8.848 -14.075 9.776 1.00 11.12 H new ATOM 1159 N PRO A 554 3.329 -18.402 9.552 1.00 21.52 N ATOM 1160 CA PRO A 554 2.468 -19.480 9.057 1.00 72.22 C ATOM 1161 C PRO A 554 2.906 -20.851 9.561 1.00 12.25 C ATOM 1162 O PRO A 554 3.522 -21.624 8.829 1.00 23.22 O ATOM 1163 CB PRO A 554 2.629 -19.393 7.537 1.00 24.21 C ATOM 1164 CG PRO A 554 3.964 -18.763 7.333 1.00 31.15 C ATOM 1165 CD PRO A 554 4.153 -17.813 8.483 1.00 12.34 C ATOM 0 HA PRO A 554 1.439 -19.368 9.398 1.00 72.22 H new ATOM 0 HB2 PRO A 554 2.583 -20.380 7.077 1.00 24.21 H new ATOM 0 HB3 PRO A 554 1.836 -18.795 7.088 1.00 24.21 H new ATOM 0 HG2 PRO A 554 4.752 -19.516 7.315 1.00 31.15 H new ATOM 0 HG3 PRO A 554 4.005 -18.235 6.380 1.00 31.15 H new ATOM 0 HD2 PRO A 554 5.200 -17.741 8.777 1.00 12.34 H new ATOM 0 HD3 PRO A 554 3.823 -16.805 8.230 1.00 12.34 H new ATOM 1173 N MET A 555 2.583 -21.145 10.817 1.00 72.04 N ATOM 1174 CA MET A 555 2.942 -22.424 11.418 1.00 61.10 C ATOM 1175 C MET A 555 2.272 -23.579 10.681 1.00 52.14 C ATOM 1176 O MET A 555 2.939 -24.506 10.223 1.00 12.14 O ATOM 1177 CB MET A 555 2.544 -22.447 12.895 1.00 22.20 C ATOM 1178 CG MET A 555 2.655 -23.823 13.533 1.00 53.42 C ATOM 1179 SD MET A 555 4.347 -24.443 13.557 1.00 65.15 S ATOM 1180 CE MET A 555 4.782 -24.175 15.273 1.00 23.12 C ATOM 0 H MET A 555 2.074 -20.515 11.437 1.00 72.04 H new ATOM 0 HA MET A 555 4.022 -22.544 11.338 1.00 61.10 H new ATOM 0 HB2 MET A 555 3.176 -21.749 13.444 1.00 22.20 H new ATOM 0 HB3 MET A 555 1.518 -22.092 12.992 1.00 22.20 H new ATOM 0 HG2 MET A 555 2.274 -23.778 14.553 1.00 53.42 H new ATOM 0 HG3 MET A 555 2.023 -24.524 12.988 1.00 53.42 H new ATOM 0 HE1 MET A 555 5.805 -24.510 15.446 1.00 23.12 H new ATOM 0 HE2 MET A 555 4.704 -23.113 15.507 1.00 23.12 H new ATOM 0 HE3 MET A 555 4.103 -24.738 15.913 1.00 23.12 H new ATOM 1190 N ASN A 556 0.949 -23.516 10.569 1.00 12.25 N ATOM 1191 CA ASN A 556 0.189 -24.557 9.888 1.00 35.42 C ATOM 1192 C ASN A 556 -1.032 -23.969 9.186 1.00 24.21 C ATOM 1193 O ASN A 556 -2.148 -24.462 9.343 1.00 12.14 O ATOM 1194 CB ASN A 556 -0.251 -25.632 10.885 1.00 13.50 C ATOM 1195 CG ASN A 556 -0.541 -26.960 10.213 1.00 25.03 C ATOM 1196 OD1 ASN A 556 -0.510 -27.068 8.987 1.00 0.03 O ATOM 1197 ND2 ASN A 556 -0.824 -27.979 11.016 1.00 64.41 N ATOM 0 H ASN A 556 0.381 -22.755 10.941 1.00 12.25 H new ATOM 0 HA ASN A 556 0.835 -25.010 9.136 1.00 35.42 H new ATOM 0 HB2 ASN A 556 0.529 -25.770 11.634 1.00 13.50 H new ATOM 0 HB3 ASN A 556 -1.143 -25.292 11.412 1.00 13.50 H new ATOM 0 HD21 ASN A 556 -1.027 -28.898 10.622 1.00 64.41 H new ATOM 0 HD22 ASN A 556 -0.838 -27.843 12.027 1.00 64.41 H new ATOM 1204 N MET A 557 -0.809 -22.913 8.411 1.00 53.13 N ATOM 1205 CA MET A 557 -1.890 -22.259 7.683 1.00 54.41 C ATOM 1206 C MET A 557 -1.976 -22.781 6.252 1.00 13.51 C ATOM 1207 O MET A 557 -1.180 -23.624 5.842 1.00 72.43 O ATOM 1208 CB MET A 557 -1.684 -20.743 7.674 1.00 45.24 C ATOM 1209 CG MET A 557 -0.412 -20.307 6.964 1.00 62.31 C ATOM 1210 SD MET A 557 -0.695 -19.866 5.239 1.00 75.43 S ATOM 1211 CE MET A 557 0.614 -20.786 4.434 1.00 22.24 C ATOM 0 H MET A 557 0.110 -22.492 8.271 1.00 53.13 H new ATOM 0 HA MET A 557 -2.827 -22.488 8.191 1.00 54.41 H new ATOM 0 HB2 MET A 557 -2.540 -20.271 7.191 1.00 45.24 H new ATOM 0 HB3 MET A 557 -1.659 -20.382 8.702 1.00 45.24 H new ATOM 0 HG2 MET A 557 0.017 -19.453 7.488 1.00 62.31 H new ATOM 0 HG3 MET A 557 0.321 -21.112 7.013 1.00 62.31 H new ATOM 0 HE1 MET A 557 0.615 -20.560 3.368 1.00 22.24 H new ATOM 0 HE2 MET A 557 1.575 -20.505 4.866 1.00 22.24 H new ATOM 0 HE3 MET A 557 0.450 -21.854 4.578 1.00 22.24 H new ATOM 1221 N GLN A 558 -2.947 -22.273 5.499 1.00 22.00 N ATOM 1222 CA GLN A 558 -3.136 -22.690 4.115 1.00 40.24 C ATOM 1223 C GLN A 558 -3.924 -21.643 3.334 1.00 71.31 C ATOM 1224 O GLN A 558 -4.958 -21.157 3.795 1.00 23.33 O ATOM 1225 CB GLN A 558 -3.860 -24.036 4.060 1.00 63.34 C ATOM 1226 CG GLN A 558 -5.335 -23.949 4.416 1.00 21.14 C ATOM 1227 CD GLN A 558 -5.854 -25.216 5.068 1.00 45.10 C ATOM 1228 OE1 GLN A 558 -6.618 -25.969 4.465 1.00 35.43 O ATOM 1229 NE2 GLN A 558 -5.439 -25.458 6.306 1.00 1.41 N ATOM 0 H GLN A 558 -3.614 -21.573 5.824 1.00 22.00 H new ATOM 0 HA GLN A 558 -2.153 -22.795 3.656 1.00 40.24 H new ATOM 0 HB2 GLN A 558 -3.761 -24.452 3.057 1.00 63.34 H new ATOM 0 HB3 GLN A 558 -3.370 -24.730 4.743 1.00 63.34 H new ATOM 0 HG2 GLN A 558 -5.493 -23.107 5.090 1.00 21.14 H new ATOM 0 HG3 GLN A 558 -5.911 -23.747 3.513 1.00 21.14 H new ATOM 0 HE21 GLN A 558 -4.805 -24.806 6.768 1.00 1.41 H new ATOM 0 HE22 GLN A 558 -5.754 -26.296 6.795 1.00 1.41 H new ATOM 1238 N LEU A 559 -3.430 -21.300 2.150 1.00 42.23 N ATOM 1239 CA LEU A 559 -4.088 -20.310 1.304 1.00 42.21 C ATOM 1240 C LEU A 559 -5.503 -20.754 0.946 1.00 45.41 C ATOM 1241 O LEU A 559 -5.701 -21.817 0.356 1.00 43.41 O ATOM 1242 CB LEU A 559 -3.275 -20.079 0.029 1.00 53.14 C ATOM 1243 CG LEU A 559 -3.806 -19.004 -0.920 1.00 54.31 C ATOM 1244 CD1 LEU A 559 -4.926 -19.561 -1.785 1.00 61.15 C ATOM 1245 CD2 LEU A 559 -4.289 -17.792 -0.136 1.00 43.22 C ATOM 0 H LEU A 559 -2.576 -21.693 1.754 1.00 42.23 H new ATOM 0 HA LEU A 559 -4.151 -19.375 1.862 1.00 42.21 H new ATOM 0 HB2 LEU A 559 -2.257 -19.813 0.314 1.00 53.14 H new ATOM 0 HB3 LEU A 559 -3.217 -21.021 -0.517 1.00 53.14 H new ATOM 0 HG LEU A 559 -2.992 -18.689 -1.573 1.00 54.31 H new ATOM 0 HD11 LEU A 559 -5.291 -18.782 -2.454 1.00 61.15 H new ATOM 0 HD12 LEU A 559 -4.549 -20.397 -2.374 1.00 61.15 H new ATOM 0 HD13 LEU A 559 -5.741 -19.904 -1.148 1.00 61.15 H new ATOM 0 HD21 LEU A 559 -4.663 -17.037 -0.827 1.00 43.22 H new ATOM 0 HD22 LEU A 559 -5.088 -18.092 0.542 1.00 43.22 H new ATOM 0 HD23 LEU A 559 -3.461 -17.378 0.440 1.00 43.22 H new ATOM 1257 N LEU A 560 -6.483 -19.932 1.304 1.00 30.13 N ATOM 1258 CA LEU A 560 -7.881 -20.238 1.019 1.00 65.42 C ATOM 1259 C LEU A 560 -8.493 -19.184 0.102 1.00 64.43 C ATOM 1260 O LEU A 560 -9.442 -19.460 -0.631 1.00 1.23 O ATOM 1261 CB LEU A 560 -8.680 -20.325 2.320 1.00 72.21 C ATOM 1262 CG LEU A 560 -9.165 -18.996 2.899 1.00 15.04 C ATOM 1263 CD1 LEU A 560 -10.611 -18.738 2.505 1.00 14.02 C ATOM 1264 CD2 LEU A 560 -9.014 -18.987 4.414 1.00 61.24 C ATOM 0 H LEU A 560 -6.336 -19.049 1.792 1.00 30.13 H new ATOM 0 HA LEU A 560 -7.920 -21.202 0.511 1.00 65.42 H new ATOM 0 HB2 LEU A 560 -9.548 -20.962 2.148 1.00 72.21 H new ATOM 0 HB3 LEU A 560 -8.063 -20.822 3.069 1.00 72.21 H new ATOM 0 HG LEU A 560 -8.549 -18.196 2.487 1.00 15.04 H new ATOM 0 HD11 LEU A 560 -10.939 -17.788 2.926 1.00 14.02 H new ATOM 0 HD12 LEU A 560 -10.691 -18.700 1.419 1.00 14.02 H new ATOM 0 HD13 LEU A 560 -11.241 -19.541 2.887 1.00 14.02 H new ATOM 0 HD21 LEU A 560 -9.364 -18.033 4.809 1.00 61.24 H new ATOM 0 HD22 LEU A 560 -9.605 -19.796 4.843 1.00 61.24 H new ATOM 0 HD23 LEU A 560 -7.965 -19.125 4.676 1.00 61.24 H new ATOM 1276 N GLY A 561 -7.940 -17.976 0.146 1.00 13.42 N ATOM 1277 CA GLY A 561 -8.443 -16.899 -0.687 1.00 35.03 C ATOM 1278 C GLY A 561 -7.702 -16.791 -2.004 1.00 53.45 C ATOM 1279 O GLY A 561 -7.095 -17.758 -2.464 1.00 51.13 O ATOM 0 H GLY A 561 -7.153 -17.724 0.743 1.00 13.42 H new ATOM 0 HA2 GLY A 561 -9.503 -17.060 -0.882 1.00 35.03 H new ATOM 0 HA3 GLY A 561 -8.358 -15.956 -0.147 1.00 35.03 H new ATOM 1283 N ASP A 562 -7.753 -15.612 -2.614 1.00 43.44 N ATOM 1284 CA ASP A 562 -7.081 -15.380 -3.888 1.00 71.31 C ATOM 1285 C ASP A 562 -6.905 -13.887 -4.146 1.00 72.23 C ATOM 1286 O ASP A 562 -7.682 -13.067 -3.658 1.00 72.14 O ATOM 1287 CB ASP A 562 -7.874 -16.018 -5.030 1.00 62.11 C ATOM 1288 CG ASP A 562 -7.006 -16.329 -6.234 1.00 32.32 C ATOM 1289 OD1 ASP A 562 -5.996 -17.045 -6.068 1.00 42.44 O ATOM 1290 OD2 ASP A 562 -7.338 -15.858 -7.341 1.00 72.25 O ATOM 0 H ASP A 562 -8.253 -14.802 -2.247 1.00 43.44 H new ATOM 0 HA ASP A 562 -6.094 -15.840 -3.839 1.00 71.31 H new ATOM 0 HB2 ASP A 562 -8.341 -16.937 -4.675 1.00 62.11 H new ATOM 0 HB3 ASP A 562 -8.679 -15.346 -5.329 1.00 62.11 H new ATOM 1295 N ALA A 563 -5.878 -13.542 -4.916 1.00 10.13 N ATOM 1296 CA ALA A 563 -5.601 -12.148 -5.239 1.00 64.04 C ATOM 1297 C ALA A 563 -6.655 -11.584 -6.186 1.00 64.01 C ATOM 1298 O ALA A 563 -6.904 -12.142 -7.255 1.00 5.35 O ATOM 1299 CB ALA A 563 -4.214 -12.014 -5.851 1.00 24.15 C ATOM 0 H ALA A 563 -5.225 -14.208 -5.327 1.00 10.13 H new ATOM 0 HA ALA A 563 -5.636 -11.573 -4.314 1.00 64.04 H new ATOM 0 HB1 ALA A 563 -4.020 -10.968 -6.087 1.00 24.15 H new ATOM 0 HB2 ALA A 563 -3.467 -12.370 -5.141 1.00 24.15 H new ATOM 0 HB3 ALA A 563 -4.160 -12.608 -6.763 1.00 24.15 H new ATOM 1305 N GLN A 564 -7.271 -10.476 -5.786 1.00 64.31 N ATOM 1306 CA GLN A 564 -8.299 -9.838 -6.600 1.00 30.55 C ATOM 1307 C GLN A 564 -7.777 -9.539 -8.001 1.00 21.11 C ATOM 1308 O GLN A 564 -6.819 -8.784 -8.170 1.00 23.13 O ATOM 1309 CB GLN A 564 -8.777 -8.547 -5.934 1.00 14.01 C ATOM 1310 CG GLN A 564 -10.231 -8.214 -6.227 1.00 35.14 C ATOM 1311 CD GLN A 564 -10.453 -7.777 -7.661 1.00 43.12 C ATOM 1312 OE1 GLN A 564 -10.650 -8.605 -8.551 1.00 44.44 O ATOM 1313 NE2 GLN A 564 -10.422 -6.470 -7.893 1.00 42.25 N ATOM 0 H GLN A 564 -7.076 -10.002 -4.904 1.00 64.31 H new ATOM 0 HA GLN A 564 -9.139 -10.527 -6.686 1.00 30.55 H new ATOM 0 HB2 GLN A 564 -8.643 -8.633 -4.856 1.00 14.01 H new ATOM 0 HB3 GLN A 564 -8.149 -7.721 -6.269 1.00 14.01 H new ATOM 0 HG2 GLN A 564 -10.849 -9.087 -6.018 1.00 35.14 H new ATOM 0 HG3 GLN A 564 -10.561 -7.422 -5.555 1.00 35.14 H new ATOM 0 HE21 GLN A 564 -10.256 -5.820 -7.125 1.00 42.25 H new ATOM 0 HE22 GLN A 564 -10.565 -6.116 -8.839 1.00 42.25 H new