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= -1.82 K(o=-1.8,f=-6.4!) USER MOD Set 1.2: A 489 TYR OH : rot 165:sc= 0 USER MOD Single : A 486 MET CE :methyl -159:sc= -0.189 (180deg=-0.61) USER MOD Single : A 503 HIS : no HD1:sc= -0.863 X(o=-0.86,f=-0.88) USER MOD Single : A 510 ASN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= 0 USER MOD Single : A 518 TYR OH : rot 180:sc= 0 USER MOD Single : A 521 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -1.27 X(o=-1.3,f=-1.3) USER MOD Single : A 529 SER OG : rot -84:sc= 0.124 USER MOD Single : A 530 THR OG1 : rot 180:sc= -0.017 USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 537 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 543 GLN : amide:sc= -0.0166 X(o=-0.017,f=-0.017) USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 546 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= -0.434 USER MOD Single : A 552 ASN :FLIP amide:sc= -2.88 F(o=-6.4!,f=-2.9) USER MOD Single : A 553 LYS NZ :NH3+ 143:sc= -0.131 (180deg=-1.46!) USER MOD Single : A 555 MET CE :methyl -155:sc= -0.0506 (180deg=-0.31) USER MOD Single : A 556 ASN : amide:sc= -0.0283 K(o=-0.028,f=-1.4) USER MOD Single : A 557 MET CE :methyl -155:sc= -0.1 (180deg=-0.412) USER MOD Single : A 558 GLN : amide:sc= -0.612 K(o=-0.61,f=-1.7) USER MOD Single : A 564 GLN : amide:sc=-0.000451 K(o=-0.00045,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 28 N ASP A 482 3.501 -4.491 -4.631 1.00 13.30 N ATOM 29 CA ASP A 482 4.130 -4.507 -5.946 1.00 41.14 C ATOM 30 C ASP A 482 3.124 -4.897 -7.025 1.00 45.52 C ATOM 31 O ASP A 482 3.218 -4.447 -8.167 1.00 41.05 O ATOM 32 CB ASP A 482 5.311 -5.478 -5.958 1.00 64.41 C ATOM 33 CG ASP A 482 6.452 -4.993 -6.832 1.00 35.04 C ATOM 34 OD1 ASP A 482 7.055 -5.828 -7.538 1.00 53.45 O ATOM 35 OD2 ASP A 482 6.740 -3.778 -6.809 1.00 60.40 O ATOM 0 HA ASP A 482 4.494 -3.502 -6.160 1.00 41.14 H new ATOM 0 HB2 ASP A 482 5.672 -5.619 -4.939 1.00 64.41 H new ATOM 0 HB3 ASP A 482 4.973 -6.451 -6.314 1.00 64.41 H new ATOM 40 N VAL A 483 2.163 -5.736 -6.655 1.00 71.53 N ATOM 41 CA VAL A 483 1.140 -6.187 -7.591 1.00 55.01 C ATOM 42 C VAL A 483 -0.252 -6.082 -6.976 1.00 43.04 C ATOM 43 O VAL A 483 -1.209 -5.695 -7.644 1.00 53.45 O ATOM 44 CB VAL A 483 1.385 -7.642 -8.034 1.00 11.35 C ATOM 45 CG1 VAL A 483 1.504 -8.555 -6.823 1.00 64.22 C ATOM 46 CG2 VAL A 483 0.272 -8.112 -8.959 1.00 4.44 C ATOM 0 H VAL A 483 2.071 -6.118 -5.714 1.00 71.53 H new ATOM 0 HA VAL A 483 1.200 -5.535 -8.463 1.00 55.01 H new ATOM 0 HB VAL A 483 2.325 -7.683 -8.584 1.00 11.35 H new ATOM 0 HG11 VAL A 483 1.677 -9.579 -7.155 1.00 64.22 H new ATOM 0 HG12 VAL A 483 2.338 -8.229 -6.202 1.00 64.22 H new ATOM 0 HG13 VAL A 483 0.582 -8.512 -6.243 1.00 64.22 H new ATOM 0 HG21 VAL A 483 0.461 -9.142 -9.262 1.00 4.44 H new ATOM 0 HG22 VAL A 483 -0.683 -8.057 -8.436 1.00 4.44 H new ATOM 0 HG23 VAL A 483 0.239 -7.474 -9.842 1.00 4.44 H new ATOM 56 N GLY A 484 -0.356 -6.430 -5.697 1.00 45.22 N ATOM 57 CA GLY A 484 -1.634 -6.367 -5.013 1.00 23.40 C ATOM 58 C GLY A 484 -2.062 -7.712 -4.461 1.00 21.44 C ATOM 59 O GLY A 484 -3.254 -7.974 -4.300 1.00 32.02 O ATOM 0 H GLY A 484 0.422 -6.754 -5.123 1.00 45.22 H new ATOM 0 HA2 GLY A 484 -1.571 -5.646 -4.198 1.00 23.40 H new ATOM 0 HA3 GLY A 484 -2.395 -6.002 -5.703 1.00 23.40 H new ATOM 63 N ASP A 485 -1.088 -8.568 -4.171 1.00 31.22 N ATOM 64 CA ASP A 485 -1.370 -9.894 -3.634 1.00 33.42 C ATOM 65 C ASP A 485 -2.303 -9.806 -2.430 1.00 2.14 C ATOM 66 O ASP A 485 -1.881 -9.447 -1.331 1.00 22.03 O ATOM 67 CB ASP A 485 -0.070 -10.595 -3.237 1.00 42.30 C ATOM 68 CG ASP A 485 -0.137 -12.096 -3.436 1.00 22.24 C ATOM 69 OD1 ASP A 485 -1.119 -12.713 -2.972 1.00 30.01 O ATOM 70 OD2 ASP A 485 0.792 -12.654 -4.055 1.00 63.33 O ATOM 0 H ASP A 485 -0.096 -8.367 -4.299 1.00 31.22 H new ATOM 0 HA ASP A 485 -1.864 -10.476 -4.412 1.00 33.42 H new ATOM 0 HB2 ASP A 485 0.752 -10.190 -3.826 1.00 42.30 H new ATOM 0 HB3 ASP A 485 0.151 -10.380 -2.192 1.00 42.30 H new ATOM 75 N MET A 486 -3.572 -10.134 -2.645 1.00 73.53 N ATOM 76 CA MET A 486 -4.564 -10.092 -1.577 1.00 73.13 C ATOM 77 C MET A 486 -5.275 -11.435 -1.441 1.00 64.14 C ATOM 78 O MET A 486 -5.917 -11.904 -2.380 1.00 73.51 O ATOM 79 CB MET A 486 -5.587 -8.986 -1.845 1.00 62.04 C ATOM 80 CG MET A 486 -6.806 -9.053 -0.940 1.00 2.32 C ATOM 81 SD MET A 486 -8.259 -9.713 -1.779 1.00 1.05 S ATOM 82 CE MET A 486 -8.565 -8.428 -2.988 1.00 11.43 C ATOM 0 H MET A 486 -3.938 -10.432 -3.549 1.00 73.53 H new ATOM 0 HA MET A 486 -4.045 -9.879 -0.642 1.00 73.13 H new ATOM 0 HB2 MET A 486 -5.104 -8.017 -1.719 1.00 62.04 H new ATOM 0 HB3 MET A 486 -5.912 -9.047 -2.884 1.00 62.04 H new ATOM 0 HG2 MET A 486 -6.577 -9.675 -0.075 1.00 2.32 H new ATOM 0 HG3 MET A 486 -7.030 -8.055 -0.565 1.00 2.32 H new ATOM 0 HE1 MET A 486 -9.601 -8.483 -3.323 1.00 11.43 H new ATOM 0 HE2 MET A 486 -8.381 -7.453 -2.537 1.00 11.43 H new ATOM 0 HE3 MET A 486 -7.900 -8.565 -3.841 1.00 11.43 H new ATOM 92 N GLN A 487 -5.154 -12.048 -0.268 1.00 4.50 N ATOM 93 CA GLN A 487 -5.784 -13.337 -0.011 1.00 62.13 C ATOM 94 C GLN A 487 -6.084 -13.510 1.474 1.00 62.40 C ATOM 95 O GLN A 487 -5.712 -12.671 2.295 1.00 24.34 O ATOM 96 CB GLN A 487 -4.884 -14.474 -0.498 1.00 22.20 C ATOM 97 CG GLN A 487 -4.535 -14.385 -1.975 1.00 12.41 C ATOM 98 CD GLN A 487 -3.661 -15.533 -2.439 1.00 4.32 C ATOM 99 OE1 GLN A 487 -4.125 -16.445 -3.122 1.00 72.35 O ATOM 100 NE2 GLN A 487 -2.386 -15.493 -2.069 1.00 21.01 N ATOM 0 H GLN A 487 -4.625 -11.672 0.519 1.00 4.50 H new ATOM 0 HA GLN A 487 -6.726 -13.369 -0.559 1.00 62.13 H new ATOM 0 HB2 GLN A 487 -3.963 -14.472 0.085 1.00 22.20 H new ATOM 0 HB3 GLN A 487 -5.380 -15.426 -0.307 1.00 22.20 H new ATOM 0 HG2 GLN A 487 -5.454 -14.373 -2.561 1.00 12.41 H new ATOM 0 HG3 GLN A 487 -4.022 -13.443 -2.167 1.00 12.41 H new ATOM 0 HE21 GLN A 487 -2.044 -14.717 -1.502 1.00 21.01 H new ATOM 0 HE22 GLN A 487 -1.749 -16.238 -2.352 1.00 21.01 H new ATOM 109 N LEU A 488 -6.759 -14.603 1.812 1.00 21.24 N ATOM 110 CA LEU A 488 -7.110 -14.887 3.200 1.00 43.13 C ATOM 111 C LEU A 488 -6.401 -16.144 3.694 1.00 11.24 C ATOM 112 O LEU A 488 -6.682 -17.250 3.232 1.00 12.22 O ATOM 113 CB LEU A 488 -8.624 -15.053 3.340 1.00 41.31 C ATOM 114 CG LEU A 488 -9.171 -15.042 4.768 1.00 40.53 C ATOM 115 CD1 LEU A 488 -8.967 -13.677 5.407 1.00 55.43 C ATOM 116 CD2 LEU A 488 -10.644 -15.423 4.777 1.00 12.33 C ATOM 0 H LEU A 488 -7.074 -15.307 1.145 1.00 21.24 H new ATOM 0 HA LEU A 488 -6.785 -14.045 3.811 1.00 43.13 H new ATOM 0 HB2 LEU A 488 -9.110 -14.254 2.780 1.00 41.31 H new ATOM 0 HB3 LEU A 488 -8.911 -15.993 2.869 1.00 41.31 H new ATOM 0 HG LEU A 488 -8.622 -15.780 5.353 1.00 40.53 H new ATOM 0 HD11 LEU A 488 -9.362 -13.688 6.423 1.00 55.43 H new ATOM 0 HD12 LEU A 488 -7.903 -13.443 5.434 1.00 55.43 H new ATOM 0 HD13 LEU A 488 -9.490 -12.920 4.822 1.00 55.43 H new ATOM 0 HD21 LEU A 488 -11.017 -15.410 5.801 1.00 12.33 H new ATOM 0 HD22 LEU A 488 -11.208 -14.709 4.176 1.00 12.33 H new ATOM 0 HD23 LEU A 488 -10.764 -16.423 4.360 1.00 12.33 H new ATOM 128 N TYR A 489 -5.483 -15.966 4.638 1.00 61.33 N ATOM 129 CA TYR A 489 -4.734 -17.086 5.195 1.00 22.14 C ATOM 130 C TYR A 489 -5.105 -17.316 6.657 1.00 10.33 C ATOM 131 O TYR A 489 -4.872 -16.459 7.510 1.00 34.03 O ATOM 132 CB TYR A 489 -3.230 -16.832 5.073 1.00 34.42 C ATOM 133 CG TYR A 489 -2.866 -15.876 3.960 1.00 12.35 C ATOM 134 CD1 TYR A 489 -2.856 -14.503 4.173 1.00 5.25 C ATOM 135 CD2 TYR A 489 -2.532 -16.345 2.696 1.00 3.01 C ATOM 136 CE1 TYR A 489 -2.524 -13.625 3.159 1.00 32.25 C ATOM 137 CE2 TYR A 489 -2.198 -15.475 1.676 1.00 4.24 C ATOM 138 CZ TYR A 489 -2.196 -14.116 1.913 1.00 42.11 C ATOM 139 OH TYR A 489 -1.864 -13.245 0.901 1.00 42.04 O ATOM 0 H TYR A 489 -5.240 -15.058 5.033 1.00 61.33 H new ATOM 0 HA TYR A 489 -4.992 -17.981 4.628 1.00 22.14 H new ATOM 0 HB2 TYR A 489 -2.859 -16.434 6.018 1.00 34.42 H new ATOM 0 HB3 TYR A 489 -2.722 -17.782 4.906 1.00 34.42 H new ATOM 0 HD1 TYR A 489 -3.112 -14.115 5.148 1.00 5.25 H new ATOM 0 HD2 TYR A 489 -2.533 -17.408 2.507 1.00 3.01 H new ATOM 0 HE1 TYR A 489 -2.521 -12.561 3.341 1.00 32.25 H new ATOM 0 HE2 TYR A 489 -1.940 -15.857 0.699 1.00 4.24 H new ATOM 0 HH TYR A 489 -1.433 -13.739 0.173 1.00 42.04 H new ATOM 149 N ARG A 490 -5.683 -18.479 6.938 1.00 11.25 N ATOM 150 CA ARG A 490 -6.088 -18.823 8.296 1.00 4.53 C ATOM 151 C ARG A 490 -5.086 -19.780 8.936 1.00 75.21 C ATOM 152 O ARG A 490 -4.706 -20.787 8.337 1.00 41.40 O ATOM 153 CB ARG A 490 -7.481 -19.453 8.292 1.00 54.00 C ATOM 154 CG ARG A 490 -7.543 -20.789 7.570 1.00 32.34 C ATOM 155 CD ARG A 490 -7.627 -21.949 8.551 1.00 52.50 C ATOM 156 NE ARG A 490 -7.173 -23.203 7.956 1.00 2.52 N ATOM 157 CZ ARG A 490 -7.930 -23.961 7.171 1.00 14.35 C ATOM 158 NH1 ARG A 490 -9.173 -23.594 6.888 1.00 4.33 N ATOM 159 NH2 ARG A 490 -7.446 -25.089 6.668 1.00 45.52 N ATOM 0 H ARG A 490 -5.881 -19.199 6.243 1.00 11.25 H new ATOM 0 HA ARG A 490 -6.114 -17.905 8.884 1.00 4.53 H new ATOM 0 HB2 ARG A 490 -7.811 -19.590 9.322 1.00 54.00 H new ATOM 0 HB3 ARG A 490 -8.181 -18.763 7.822 1.00 54.00 H new ATOM 0 HG2 ARG A 490 -8.409 -20.807 6.909 1.00 32.34 H new ATOM 0 HG3 ARG A 490 -6.660 -20.906 6.942 1.00 32.34 H new ATOM 0 HD2 ARG A 490 -7.022 -21.725 9.430 1.00 52.50 H new ATOM 0 HD3 ARG A 490 -8.656 -22.061 8.892 1.00 52.50 H new ATOM 0 HE ARG A 490 -6.222 -23.514 8.154 1.00 2.52 H new ATOM 0 HH11 ARG A 490 -9.549 -22.728 7.274 1.00 4.33 H new ATOM 0 HH12 ARG A 490 -9.752 -24.178 6.285 1.00 4.33 H new ATOM 0 HH21 ARG A 490 -6.491 -25.375 6.884 1.00 45.52 H new ATOM 0 HH22 ARG A 490 -8.029 -25.670 6.065 1.00 45.52 H new ATOM 173 N ILE A 491 -4.664 -19.460 10.154 1.00 11.42 N ATOM 174 CA ILE A 491 -3.708 -20.292 10.874 1.00 12.53 C ATOM 175 C ILE A 491 -4.411 -21.173 11.901 1.00 62.30 C ATOM 176 O ILE A 491 -5.583 -20.965 12.213 1.00 24.24 O ATOM 177 CB ILE A 491 -2.645 -19.437 11.590 1.00 72.11 C ATOM 178 CG1 ILE A 491 -3.278 -18.658 12.745 1.00 73.14 C ATOM 179 CG2 ILE A 491 -1.979 -18.487 10.606 1.00 63.53 C ATOM 180 CD1 ILE A 491 -2.293 -17.801 13.507 1.00 3.23 C ATOM 0 H ILE A 491 -4.969 -18.630 10.663 1.00 11.42 H new ATOM 0 HA ILE A 491 -3.217 -20.922 10.133 1.00 12.53 H new ATOM 0 HB ILE A 491 -1.882 -20.100 11.999 1.00 72.11 H new ATOM 0 HG12 ILE A 491 -4.072 -18.023 12.352 1.00 73.14 H new ATOM 0 HG13 ILE A 491 -3.745 -19.362 13.435 1.00 73.14 H new ATOM 0 HG21 ILE A 491 -1.231 -17.890 11.127 1.00 63.53 H new ATOM 0 HG22 ILE A 491 -1.498 -19.062 9.814 1.00 63.53 H new ATOM 0 HG23 ILE A 491 -2.730 -17.828 10.171 1.00 63.53 H new ATOM 0 HD11 ILE A 491 -2.811 -17.278 14.311 1.00 3.23 H new ATOM 0 HD12 ILE A 491 -1.512 -18.433 13.930 1.00 3.23 H new ATOM 0 HD13 ILE A 491 -1.844 -17.073 12.831 1.00 3.23 H new ATOM 192 N GLU A 492 -3.685 -22.157 12.423 1.00 35.51 N ATOM 193 CA GLU A 492 -4.240 -23.070 13.416 1.00 61.41 C ATOM 194 C GLU A 492 -3.878 -22.622 14.829 1.00 33.20 C ATOM 195 O GLU A 492 -3.360 -23.404 15.627 1.00 43.44 O ATOM 196 CB GLU A 492 -3.730 -24.493 13.174 1.00 14.20 C ATOM 197 CG GLU A 492 -4.451 -25.546 13.999 1.00 5.24 C ATOM 198 CD GLU A 492 -4.457 -26.907 13.331 1.00 54.21 C ATOM 199 OE1 GLU A 492 -3.434 -27.617 13.422 1.00 31.13 O ATOM 200 OE2 GLU A 492 -5.485 -27.262 12.717 1.00 40.43 O ATOM 0 H GLU A 492 -2.713 -22.342 12.175 1.00 35.51 H new ATOM 0 HA GLU A 492 -5.325 -23.059 13.316 1.00 61.41 H new ATOM 0 HB2 GLU A 492 -3.839 -24.734 12.117 1.00 14.20 H new ATOM 0 HB3 GLU A 492 -2.665 -24.532 13.401 1.00 14.20 H new ATOM 0 HG2 GLU A 492 -3.973 -25.627 14.975 1.00 5.24 H new ATOM 0 HG3 GLU A 492 -5.478 -25.226 14.172 1.00 5.24 H new ATOM 207 N VAL A 493 -4.155 -21.358 15.132 1.00 54.23 N ATOM 208 CA VAL A 493 -3.860 -20.805 16.448 1.00 54.50 C ATOM 209 C VAL A 493 -4.945 -19.828 16.889 1.00 4.21 C ATOM 210 O VAL A 493 -5.442 -19.034 16.091 1.00 31.34 O ATOM 211 CB VAL A 493 -2.499 -20.084 16.462 1.00 52.24 C ATOM 212 CG1 VAL A 493 -2.058 -19.803 17.890 1.00 63.31 C ATOM 213 CG2 VAL A 493 -1.454 -20.906 15.724 1.00 61.45 C ATOM 0 H VAL A 493 -4.583 -20.697 14.484 1.00 54.23 H new ATOM 0 HA VAL A 493 -3.825 -21.644 17.143 1.00 54.50 H new ATOM 0 HB VAL A 493 -2.607 -19.130 15.947 1.00 52.24 H new ATOM 0 HG11 VAL A 493 -1.095 -19.293 17.880 1.00 63.31 H new ATOM 0 HG12 VAL A 493 -2.798 -19.171 18.382 1.00 63.31 H new ATOM 0 HG13 VAL A 493 -1.965 -20.743 18.434 1.00 63.31 H new ATOM 0 HG21 VAL A 493 -0.498 -20.382 15.744 1.00 61.45 H new ATOM 0 HG22 VAL A 493 -1.346 -21.876 16.209 1.00 61.45 H new ATOM 0 HG23 VAL A 493 -1.768 -21.050 14.690 1.00 61.45 H new ATOM 223 N GLY A 494 -5.307 -19.891 18.167 1.00 23.40 N ATOM 224 CA GLY A 494 -6.330 -19.007 18.693 1.00 1.10 C ATOM 225 C GLY A 494 -6.115 -18.678 20.157 1.00 33.01 C ATOM 226 O GLY A 494 -5.065 -18.984 20.721 1.00 4.32 O ATOM 0 H GLY A 494 -4.910 -20.539 18.847 1.00 23.40 H new ATOM 0 HA2 GLY A 494 -6.341 -18.084 18.114 1.00 1.10 H new ATOM 0 HA3 GLY A 494 -7.308 -19.473 18.568 1.00 1.10 H new ATOM 230 N ARG A 495 -7.112 -18.052 20.774 1.00 53.24 N ATOM 231 CA ARG A 495 -7.026 -17.678 22.180 1.00 34.53 C ATOM 232 C ARG A 495 -6.735 -18.898 23.050 1.00 71.23 C ATOM 233 O ARG A 495 -6.079 -18.792 24.086 1.00 42.12 O ATOM 234 CB ARG A 495 -8.328 -17.014 22.634 1.00 23.41 C ATOM 235 CG ARG A 495 -9.576 -17.784 22.234 1.00 41.34 C ATOM 236 CD ARG A 495 -10.820 -17.207 22.891 1.00 73.25 C ATOM 237 NE ARG A 495 -12.042 -17.838 22.398 1.00 64.42 N ATOM 238 CZ ARG A 495 -13.261 -17.486 22.791 1.00 62.43 C ATOM 239 NH1 ARG A 495 -13.420 -16.513 23.677 1.00 71.21 N ATOM 240 NH2 ARG A 495 -14.324 -18.108 22.297 1.00 62.25 N ATOM 0 H ARG A 495 -7.989 -17.793 20.322 1.00 53.24 H new ATOM 0 HA ARG A 495 -6.206 -16.969 22.292 1.00 34.53 H new ATOM 0 HB2 ARG A 495 -8.311 -16.904 23.718 1.00 23.41 H new ATOM 0 HB3 ARG A 495 -8.380 -16.010 22.213 1.00 23.41 H new ATOM 0 HG2 ARG A 495 -9.690 -17.757 21.150 1.00 41.34 H new ATOM 0 HG3 ARG A 495 -9.466 -18.831 22.517 1.00 41.34 H new ATOM 0 HD2 ARG A 495 -10.754 -17.339 23.971 1.00 73.25 H new ATOM 0 HD3 ARG A 495 -10.865 -16.134 22.703 1.00 73.25 H new ATOM 0 HE ARG A 495 -11.954 -18.590 21.715 1.00 64.42 H new ATOM 0 HH11 ARG A 495 -12.605 -16.033 24.059 1.00 71.21 H new ATOM 0 HH12 ARG A 495 -14.357 -16.245 23.977 1.00 71.21 H new ATOM 0 HH21 ARG A 495 -14.205 -18.857 21.615 1.00 62.25 H new ATOM 0 HH22 ARG A 495 -15.260 -17.837 22.599 1.00 62.25 H new ATOM 254 N ASP A 496 -7.228 -20.055 22.621 1.00 42.10 N ATOM 255 CA ASP A 496 -7.020 -21.295 23.360 1.00 72.15 C ATOM 256 C ASP A 496 -5.596 -21.807 23.172 1.00 25.30 C ATOM 257 O ASP A 496 -5.116 -22.635 23.947 1.00 60.22 O ATOM 258 CB ASP A 496 -8.022 -22.358 22.905 1.00 65.10 C ATOM 259 CG ASP A 496 -8.409 -23.305 24.024 1.00 41.20 C ATOM 260 OD1 ASP A 496 -8.643 -22.824 25.152 1.00 32.54 O ATOM 261 OD2 ASP A 496 -8.477 -24.526 23.771 1.00 22.25 O ATOM 0 H ASP A 496 -7.774 -20.160 21.766 1.00 42.10 H new ATOM 0 HA ASP A 496 -7.176 -21.089 24.419 1.00 72.15 H new ATOM 0 HB2 ASP A 496 -8.917 -21.869 22.521 1.00 65.10 H new ATOM 0 HB3 ASP A 496 -7.593 -22.929 22.082 1.00 65.10 H new ATOM 266 N ASP A 497 -4.925 -21.310 22.139 1.00 60.34 N ATOM 267 CA ASP A 497 -3.555 -21.717 21.849 1.00 60.41 C ATOM 268 C ASP A 497 -2.557 -20.740 22.461 1.00 44.53 C ATOM 269 O ASP A 497 -1.522 -21.143 22.990 1.00 42.12 O ATOM 270 CB ASP A 497 -3.336 -21.810 20.338 1.00 75.10 C ATOM 271 CG ASP A 497 -2.042 -22.514 19.982 1.00 3.13 C ATOM 272 OD1 ASP A 497 -1.053 -22.351 20.729 1.00 73.54 O ATOM 273 OD2 ASP A 497 -2.017 -23.228 18.958 1.00 2.23 O ATOM 0 H ASP A 497 -5.308 -20.624 21.488 1.00 60.34 H new ATOM 0 HA ASP A 497 -3.393 -22.699 22.292 1.00 60.41 H new ATOM 0 HB2 ASP A 497 -4.172 -22.342 19.885 1.00 75.10 H new ATOM 0 HB3 ASP A 497 -3.329 -20.806 19.913 1.00 75.10 H new ATOM 278 N GLY A 498 -2.875 -19.451 22.383 1.00 4.22 N ATOM 279 CA GLY A 498 -1.995 -18.435 22.932 1.00 61.40 C ATOM 280 C GLY A 498 -1.794 -17.269 21.985 1.00 64.22 C ATOM 281 O GLY A 498 -0.707 -16.695 21.917 1.00 65.40 O ATOM 0 H GLY A 498 -3.726 -19.092 21.950 1.00 4.22 H new ATOM 0 HA2 GLY A 498 -2.409 -18.069 23.871 1.00 61.40 H new ATOM 0 HA3 GLY A 498 -1.028 -18.882 23.163 1.00 61.40 H new ATOM 285 N VAL A 499 -2.844 -16.918 21.250 1.00 42.25 N ATOM 286 CA VAL A 499 -2.778 -15.813 20.301 1.00 44.23 C ATOM 287 C VAL A 499 -4.020 -14.934 20.393 1.00 4.44 C ATOM 288 O VAL A 499 -5.105 -15.410 20.723 1.00 53.21 O ATOM 289 CB VAL A 499 -2.630 -16.323 18.855 1.00 45.51 C ATOM 290 CG1 VAL A 499 -3.968 -16.810 18.321 1.00 42.44 C ATOM 291 CG2 VAL A 499 -2.055 -15.233 17.962 1.00 4.15 C ATOM 0 H VAL A 499 -3.751 -17.383 21.293 1.00 42.25 H new ATOM 0 HA VAL A 499 -1.899 -15.224 20.563 1.00 44.23 H new ATOM 0 HB VAL A 499 -1.938 -17.165 18.854 1.00 45.51 H new ATOM 0 HG11 VAL A 499 -3.844 -17.166 17.298 1.00 42.44 H new ATOM 0 HG12 VAL A 499 -4.335 -17.623 18.947 1.00 42.44 H new ATOM 0 HG13 VAL A 499 -4.686 -15.990 18.335 1.00 42.44 H new ATOM 0 HG21 VAL A 499 -1.957 -15.610 16.944 1.00 4.15 H new ATOM 0 HG22 VAL A 499 -2.721 -14.370 17.967 1.00 4.15 H new ATOM 0 HG23 VAL A 499 -1.075 -14.937 18.335 1.00 4.15 H new ATOM 301 N GLU A 500 -3.851 -13.648 20.100 1.00 53.00 N ATOM 302 CA GLU A 500 -4.960 -12.702 20.151 1.00 61.12 C ATOM 303 C GLU A 500 -5.073 -11.926 18.842 1.00 50.40 C ATOM 304 O GLU A 500 -4.364 -12.209 17.876 1.00 52.50 O ATOM 305 CB GLU A 500 -4.777 -11.731 21.319 1.00 54.43 C ATOM 306 CG GLU A 500 -4.270 -12.394 22.588 1.00 14.44 C ATOM 307 CD GLU A 500 -4.734 -11.680 23.844 1.00 65.41 C ATOM 308 OE1 GLU A 500 -4.429 -10.478 23.991 1.00 63.52 O ATOM 309 OE2 GLU A 500 -5.401 -12.325 24.680 1.00 74.05 O ATOM 0 H GLU A 500 -2.958 -13.238 19.825 1.00 53.00 H new ATOM 0 HA GLU A 500 -5.880 -13.267 20.299 1.00 61.12 H new ATOM 0 HB2 GLU A 500 -4.078 -10.949 21.024 1.00 54.43 H new ATOM 0 HB3 GLU A 500 -5.730 -11.245 21.529 1.00 54.43 H new ATOM 0 HG2 GLU A 500 -4.612 -13.428 22.615 1.00 14.44 H new ATOM 0 HG3 GLU A 500 -3.180 -12.419 22.570 1.00 14.44 H new ATOM 316 N VAL A 501 -5.970 -10.945 18.818 1.00 74.20 N ATOM 317 CA VAL A 501 -6.177 -10.127 17.629 1.00 10.11 C ATOM 318 C VAL A 501 -5.060 -9.102 17.466 1.00 32.04 C ATOM 319 O VAL A 501 -4.676 -8.760 16.348 1.00 53.50 O ATOM 320 CB VAL A 501 -7.530 -9.392 17.682 1.00 64.03 C ATOM 321 CG1 VAL A 501 -7.687 -8.476 16.478 1.00 41.31 C ATOM 322 CG2 VAL A 501 -8.675 -10.390 17.756 1.00 73.14 C ATOM 0 H VAL A 501 -6.565 -10.698 19.609 1.00 74.20 H new ATOM 0 HA VAL A 501 -6.173 -10.804 16.774 1.00 10.11 H new ATOM 0 HB VAL A 501 -7.555 -8.777 18.582 1.00 64.03 H new ATOM 0 HG11 VAL A 501 -8.648 -7.965 16.532 1.00 41.31 H new ATOM 0 HG12 VAL A 501 -6.884 -7.739 16.475 1.00 41.31 H new ATOM 0 HG13 VAL A 501 -7.641 -9.067 15.563 1.00 41.31 H new ATOM 0 HG21 VAL A 501 -9.623 -9.854 17.793 1.00 73.14 H new ATOM 0 HG22 VAL A 501 -8.655 -11.032 16.876 1.00 73.14 H new ATOM 0 HG23 VAL A 501 -8.568 -11.000 18.653 1.00 73.14 H new ATOM 332 N ARG A 502 -4.542 -8.616 18.590 1.00 72.23 N ATOM 333 CA ARG A 502 -3.469 -7.629 18.572 1.00 72.30 C ATOM 334 C ARG A 502 -2.105 -8.311 18.530 1.00 5.34 C ATOM 335 O ARG A 502 -1.068 -7.647 18.485 1.00 54.34 O ATOM 336 CB ARG A 502 -3.561 -6.723 19.801 1.00 51.54 C ATOM 337 CG ARG A 502 -3.579 -7.481 21.118 1.00 61.14 C ATOM 338 CD ARG A 502 -3.299 -6.560 22.295 1.00 64.22 C ATOM 339 NE ARG A 502 -3.989 -6.995 23.506 1.00 13.50 N ATOM 340 CZ ARG A 502 -4.185 -6.212 24.561 1.00 10.32 C ATOM 341 NH1 ARG A 502 -3.745 -4.961 24.554 1.00 51.04 N ATOM 342 NH2 ARG A 502 -4.823 -6.679 25.627 1.00 64.53 N ATOM 0 H ARG A 502 -4.848 -8.890 19.524 1.00 72.23 H new ATOM 0 HA ARG A 502 -3.581 -7.023 17.673 1.00 72.30 H new ATOM 0 HB2 ARG A 502 -2.715 -6.036 19.799 1.00 51.54 H new ATOM 0 HB3 ARG A 502 -4.464 -6.117 19.728 1.00 51.54 H new ATOM 0 HG2 ARG A 502 -4.550 -7.958 21.251 1.00 61.14 H new ATOM 0 HG3 ARG A 502 -2.834 -8.276 21.092 1.00 61.14 H new ATOM 0 HD2 ARG A 502 -2.226 -6.526 22.482 1.00 64.22 H new ATOM 0 HD3 ARG A 502 -3.611 -5.546 22.044 1.00 64.22 H new ATOM 0 HE ARG A 502 -4.340 -7.952 23.544 1.00 13.50 H new ATOM 0 HH11 ARG A 502 -3.254 -4.597 23.737 1.00 51.04 H new ATOM 0 HH12 ARG A 502 -3.897 -4.362 25.366 1.00 51.04 H new ATOM 0 HH21 ARG A 502 -5.164 -7.640 25.637 1.00 64.53 H new ATOM 0 HH22 ARG A 502 -4.973 -6.077 26.436 1.00 64.53 H new ATOM 356 N HIS A 503 -2.112 -9.640 18.547 1.00 3.14 N ATOM 357 CA HIS A 503 -0.874 -10.412 18.512 1.00 54.44 C ATOM 358 C HIS A 503 -0.385 -10.587 17.077 1.00 32.52 C ATOM 359 O HIS A 503 0.734 -10.200 16.741 1.00 25.34 O ATOM 360 CB HIS A 503 -1.082 -11.779 19.163 1.00 34.02 C ATOM 361 CG HIS A 503 0.130 -12.293 19.877 1.00 52.01 C ATOM 362 ND1 HIS A 503 1.415 -11.932 19.533 1.00 44.12 N ATOM 363 CD2 HIS A 503 0.247 -13.144 20.923 1.00 71.22 C ATOM 364 CE1 HIS A 503 2.271 -12.540 20.335 1.00 72.21 C ATOM 365 NE2 HIS A 503 1.587 -13.282 21.188 1.00 43.40 N ATOM 0 H HIS A 503 -2.960 -10.205 18.585 1.00 3.14 H new ATOM 0 HA HIS A 503 -0.116 -9.864 19.072 1.00 54.44 H new ATOM 0 HB2 HIS A 503 -1.909 -11.714 19.870 1.00 34.02 H new ATOM 0 HB3 HIS A 503 -1.374 -12.497 18.396 1.00 34.02 H new ATOM 0 HD2 HIS A 503 -0.563 -13.625 21.451 1.00 71.22 H new ATOM 0 HE1 HIS A 503 3.346 -12.446 20.299 1.00 72.21 H new ATOM 0 HE2 HIS A 503 1.989 -13.863 21.924 1.00 43.40 H new ATOM 373 N ILE A 504 -1.231 -11.174 16.237 1.00 63.04 N ATOM 374 CA ILE A 504 -0.884 -11.401 14.839 1.00 2.51 C ATOM 375 C ILE A 504 -0.843 -10.088 14.063 1.00 33.41 C ATOM 376 O ILE A 504 -0.151 -9.974 13.052 1.00 43.22 O ATOM 377 CB ILE A 504 -1.882 -12.356 14.159 1.00 54.52 C ATOM 378 CG1 ILE A 504 -3.175 -11.614 13.811 1.00 43.10 C ATOM 379 CG2 ILE A 504 -2.175 -13.546 15.060 1.00 44.00 C ATOM 380 CD1 ILE A 504 -4.011 -11.258 15.020 1.00 74.11 C ATOM 0 H ILE A 504 -2.161 -11.501 16.500 1.00 63.04 H new ATOM 0 HA ILE A 504 0.106 -11.857 14.829 1.00 2.51 H new ATOM 0 HB ILE A 504 -1.437 -12.725 13.235 1.00 54.52 H new ATOM 0 HG12 ILE A 504 -2.926 -10.701 13.270 1.00 43.10 H new ATOM 0 HG13 ILE A 504 -3.769 -12.232 13.138 1.00 43.10 H new ATOM 0 HG21 ILE A 504 -2.882 -14.212 14.565 1.00 44.00 H new ATOM 0 HG22 ILE A 504 -1.250 -14.085 15.263 1.00 44.00 H new ATOM 0 HG23 ILE A 504 -2.603 -13.195 15.999 1.00 44.00 H new ATOM 0 HD11 ILE A 504 -4.911 -10.734 14.698 1.00 74.11 H new ATOM 0 HD12 ILE A 504 -4.290 -12.169 15.550 1.00 74.11 H new ATOM 0 HD13 ILE A 504 -3.435 -10.614 15.684 1.00 74.11 H new ATOM 392 N VAL A 505 -1.589 -9.099 14.545 1.00 73.14 N ATOM 393 CA VAL A 505 -1.637 -7.793 13.898 1.00 22.13 C ATOM 394 C VAL A 505 -0.416 -6.955 14.262 1.00 34.14 C ATOM 395 O VAL A 505 0.339 -6.527 13.390 1.00 33.34 O ATOM 396 CB VAL A 505 -2.911 -7.020 14.287 1.00 31.32 C ATOM 397 CG1 VAL A 505 -2.836 -5.583 13.795 1.00 63.35 C ATOM 398 CG2 VAL A 505 -4.146 -7.718 13.736 1.00 44.41 C ATOM 0 H VAL A 505 -2.168 -9.177 15.381 1.00 73.14 H new ATOM 0 HA VAL A 505 -1.644 -7.972 12.823 1.00 22.13 H new ATOM 0 HB VAL A 505 -2.986 -7.002 15.374 1.00 31.32 H new ATOM 0 HG11 VAL A 505 -3.745 -5.053 14.079 1.00 63.35 H new ATOM 0 HG12 VAL A 505 -1.973 -5.090 14.243 1.00 63.35 H new ATOM 0 HG13 VAL A 505 -2.736 -5.575 12.710 1.00 63.35 H new ATOM 0 HG21 VAL A 505 -5.037 -7.159 14.020 1.00 44.41 H new ATOM 0 HG22 VAL A 505 -4.081 -7.769 12.649 1.00 44.41 H new ATOM 0 HG23 VAL A 505 -4.206 -8.727 14.144 1.00 44.41 H new ATOM 408 N GLY A 506 -0.229 -6.724 15.558 1.00 21.34 N ATOM 409 CA GLY A 506 0.902 -5.938 16.016 1.00 60.31 C ATOM 410 C GLY A 506 2.231 -6.538 15.600 1.00 12.32 C ATOM 411 O GLY A 506 3.247 -5.844 15.561 1.00 72.54 O ATOM 0 H GLY A 506 -0.840 -7.067 16.299 1.00 21.34 H new ATOM 0 HA2 GLY A 506 0.823 -4.927 15.618 1.00 60.31 H new ATOM 0 HA3 GLY A 506 0.868 -5.856 17.102 1.00 60.31 H new ATOM 415 N ALA A 507 2.224 -7.830 15.291 1.00 22.20 N ATOM 416 CA ALA A 507 3.438 -8.523 14.876 1.00 11.41 C ATOM 417 C ALA A 507 3.827 -8.143 13.451 1.00 34.23 C ATOM 418 O ALA A 507 4.910 -7.608 13.215 1.00 24.42 O ATOM 419 CB ALA A 507 3.252 -10.028 14.991 1.00 22.34 C ATOM 0 H ALA A 507 1.391 -8.418 15.320 1.00 22.20 H new ATOM 0 HA ALA A 507 4.247 -8.217 15.539 1.00 11.41 H new ATOM 0 HB1 ALA A 507 4.166 -10.533 14.678 1.00 22.34 H new ATOM 0 HB2 ALA A 507 3.029 -10.289 16.026 1.00 22.34 H new ATOM 0 HB3 ALA A 507 2.427 -10.343 14.352 1.00 22.34 H new ATOM 425 N ILE A 508 2.936 -8.424 12.506 1.00 45.34 N ATOM 426 CA ILE A 508 3.187 -8.111 11.104 1.00 23.01 C ATOM 427 C ILE A 508 3.170 -6.605 10.865 1.00 24.03 C ATOM 428 O ILE A 508 3.857 -6.099 9.979 1.00 64.25 O ATOM 429 CB ILE A 508 2.147 -8.777 10.184 1.00 64.11 C ATOM 430 CG1 ILE A 508 0.744 -8.257 10.503 1.00 23.12 C ATOM 431 CG2 ILE A 508 2.203 -10.290 10.330 1.00 63.43 C ATOM 432 CD1 ILE A 508 0.282 -7.157 9.574 1.00 13.42 C ATOM 0 H ILE A 508 2.035 -8.867 12.685 1.00 45.34 H new ATOM 0 HA ILE A 508 4.176 -8.503 10.865 1.00 23.01 H new ATOM 0 HB ILE A 508 2.382 -8.522 9.151 1.00 64.11 H new ATOM 0 HG12 ILE A 508 0.038 -9.086 10.451 1.00 23.12 H new ATOM 0 HG13 ILE A 508 0.727 -7.887 11.528 1.00 23.12 H new ATOM 0 HG21 ILE A 508 1.462 -10.747 9.674 1.00 63.43 H new ATOM 0 HG22 ILE A 508 3.197 -10.645 10.058 1.00 63.43 H new ATOM 0 HG23 ILE A 508 1.990 -10.564 11.363 1.00 63.43 H new ATOM 0 HD11 ILE A 508 -0.720 -6.837 9.859 1.00 13.42 H new ATOM 0 HD12 ILE A 508 0.966 -6.311 9.643 1.00 13.42 H new ATOM 0 HD13 ILE A 508 0.266 -7.529 8.549 1.00 13.42 H new ATOM 444 N ALA A 509 2.382 -5.894 11.664 1.00 13.42 N ATOM 445 CA ALA A 509 2.278 -4.445 11.543 1.00 41.25 C ATOM 446 C ALA A 509 3.543 -3.760 12.049 1.00 13.51 C ATOM 447 O ALA A 509 3.853 -2.638 11.652 1.00 45.52 O ATOM 448 CB ALA A 509 1.061 -3.937 12.301 1.00 74.22 C ATOM 0 H ALA A 509 1.806 -6.298 12.403 1.00 13.42 H new ATOM 0 HA ALA A 509 2.161 -4.201 10.487 1.00 41.25 H new ATOM 0 HB1 ALA A 509 0.997 -2.853 12.202 1.00 74.22 H new ATOM 0 HB2 ALA A 509 0.160 -4.393 11.891 1.00 74.22 H new ATOM 0 HB3 ALA A 509 1.153 -4.200 13.355 1.00 74.22 H new ATOM 454 N ASN A 510 4.268 -4.442 12.929 1.00 21.11 N ATOM 455 CA ASN A 510 5.499 -3.898 13.491 1.00 11.21 C ATOM 456 C ASN A 510 6.721 -4.459 12.770 1.00 32.02 C ATOM 457 O ASN A 510 7.780 -3.833 12.745 1.00 72.03 O ATOM 458 CB ASN A 510 5.585 -4.214 14.986 1.00 51.53 C ATOM 459 CG ASN A 510 6.744 -3.505 15.660 1.00 32.44 C ATOM 460 OD1 ASN A 510 7.556 -4.131 16.342 1.00 63.04 O ATOM 461 ND2 ASN A 510 6.825 -2.193 15.474 1.00 73.14 N ATOM 0 H ASN A 510 4.025 -5.372 13.269 1.00 21.11 H new ATOM 0 HA ASN A 510 5.484 -2.817 13.355 1.00 11.21 H new ATOM 0 HB2 ASN A 510 4.653 -3.923 15.471 1.00 51.53 H new ATOM 0 HB3 ASN A 510 5.692 -5.290 15.122 1.00 51.53 H new ATOM 0 HD21 ASN A 510 7.583 -1.663 15.904 1.00 73.14 H new ATOM 0 HD22 ASN A 510 6.130 -1.715 14.901 1.00 73.14 H new ATOM 468 N GLU A 511 6.564 -5.643 12.185 1.00 4.45 N ATOM 469 CA GLU A 511 7.655 -6.288 11.464 1.00 4.24 C ATOM 470 C GLU A 511 7.998 -5.517 10.193 1.00 72.14 C ATOM 471 O GLU A 511 9.163 -5.229 9.923 1.00 60.31 O ATOM 472 CB GLU A 511 7.283 -7.730 11.115 1.00 32.11 C ATOM 473 CG GLU A 511 7.574 -8.721 12.230 1.00 53.12 C ATOM 474 CD GLU A 511 9.055 -8.846 12.527 1.00 4.34 C ATOM 475 OE1 GLU A 511 9.809 -9.267 11.625 1.00 10.23 O ATOM 476 OE2 GLU A 511 9.461 -8.522 13.663 1.00 11.44 O ATOM 0 H GLU A 511 5.693 -6.174 12.196 1.00 4.45 H new ATOM 0 HA GLU A 511 8.531 -6.294 12.112 1.00 4.24 H new ATOM 0 HB2 GLU A 511 6.222 -7.773 10.870 1.00 32.11 H new ATOM 0 HB3 GLU A 511 7.829 -8.031 10.221 1.00 32.11 H new ATOM 0 HG2 GLU A 511 7.051 -8.409 13.134 1.00 53.12 H new ATOM 0 HG3 GLU A 511 7.179 -9.699 11.954 1.00 53.12 H new ATOM 483 N GLY A 512 6.972 -5.186 9.414 1.00 61.33 N ATOM 484 CA GLY A 512 7.184 -4.453 8.179 1.00 22.04 C ATOM 485 C GLY A 512 6.560 -3.072 8.211 1.00 3.10 C ATOM 486 O GLY A 512 6.499 -2.435 9.263 1.00 41.02 O ATOM 0 H GLY A 512 5.998 -5.412 9.616 1.00 61.33 H new ATOM 0 HA2 GLY A 512 8.254 -4.361 7.994 1.00 22.04 H new ATOM 0 HA3 GLY A 512 6.764 -5.019 7.347 1.00 22.04 H new ATOM 490 N ASP A 513 6.098 -2.607 7.056 1.00 74.11 N ATOM 491 CA ASP A 513 5.476 -1.292 6.955 1.00 53.11 C ATOM 492 C ASP A 513 3.973 -1.381 7.202 1.00 0.14 C ATOM 493 O ASP A 513 3.308 -0.366 7.413 1.00 72.31 O ATOM 494 CB ASP A 513 5.743 -0.682 5.578 1.00 22.10 C ATOM 495 CG ASP A 513 7.001 0.164 5.554 1.00 11.10 C ATOM 496 OD1 ASP A 513 6.887 1.389 5.340 1.00 64.11 O ATOM 497 OD2 ASP A 513 8.099 -0.399 5.749 1.00 51.35 O ATOM 0 H ASP A 513 6.142 -3.121 6.176 1.00 74.11 H new ATOM 0 HA ASP A 513 5.915 -0.651 7.719 1.00 53.11 H new ATOM 0 HB2 ASP A 513 5.831 -1.480 4.841 1.00 22.10 H new ATOM 0 HB3 ASP A 513 4.891 -0.069 5.284 1.00 22.10 H new ATOM 502 N ILE A 514 3.445 -2.600 7.174 1.00 2.14 N ATOM 503 CA ILE A 514 2.021 -2.821 7.396 1.00 45.43 C ATOM 504 C ILE A 514 1.550 -2.131 8.671 1.00 10.33 C ATOM 505 O ILE A 514 2.277 -2.073 9.663 1.00 40.52 O ATOM 506 CB ILE A 514 1.692 -4.322 7.486 1.00 72.33 C ATOM 507 CG1 ILE A 514 2.113 -5.037 6.200 1.00 32.10 C ATOM 508 CG2 ILE A 514 0.207 -4.524 7.748 1.00 11.24 C ATOM 509 CD1 ILE A 514 2.294 -6.529 6.370 1.00 64.11 C ATOM 0 H ILE A 514 3.982 -3.450 7.000 1.00 2.14 H new ATOM 0 HA ILE A 514 1.498 -2.394 6.540 1.00 45.43 H new ATOM 0 HB ILE A 514 2.250 -4.752 8.318 1.00 72.33 H new ATOM 0 HG12 ILE A 514 1.363 -4.856 5.431 1.00 32.10 H new ATOM 0 HG13 ILE A 514 3.047 -4.604 5.842 1.00 32.10 H new ATOM 0 HG21 ILE A 514 -0.010 -5.590 7.809 1.00 11.24 H new ATOM 0 HG22 ILE A 514 -0.065 -4.044 8.688 1.00 11.24 H new ATOM 0 HG23 ILE A 514 -0.369 -4.082 6.935 1.00 11.24 H new ATOM 0 HD11 ILE A 514 2.592 -6.970 5.419 1.00 64.11 H new ATOM 0 HD12 ILE A 514 3.066 -6.719 7.116 1.00 64.11 H new ATOM 0 HD13 ILE A 514 1.355 -6.974 6.698 1.00 64.11 H new ATOM 521 N SER A 515 0.327 -1.610 8.639 1.00 63.41 N ATOM 522 CA SER A 515 -0.242 -0.922 9.792 1.00 65.41 C ATOM 523 C SER A 515 -1.475 -1.657 10.309 1.00 41.23 C ATOM 524 O SER A 515 -2.015 -2.535 9.636 1.00 13.22 O ATOM 525 CB SER A 515 -0.608 0.517 9.424 1.00 24.22 C ATOM 526 OG SER A 515 -0.498 1.374 10.548 1.00 74.34 O ATOM 0 H SER A 515 -0.289 -1.651 7.827 1.00 63.41 H new ATOM 0 HA SER A 515 0.508 -0.907 10.582 1.00 65.41 H new ATOM 0 HB2 SER A 515 0.047 0.870 8.628 1.00 24.22 H new ATOM 0 HB3 SER A 515 -1.626 0.549 9.036 1.00 24.22 H new ATOM 0 HG SER A 515 -0.735 2.288 10.287 1.00 74.34 H new ATOM 532 N SER A 516 -1.915 -1.290 11.508 1.00 23.43 N ATOM 533 CA SER A 516 -3.082 -1.916 12.118 1.00 20.15 C ATOM 534 C SER A 516 -4.331 -1.673 11.277 1.00 40.03 C ATOM 535 O SER A 516 -5.286 -2.449 11.324 1.00 5.01 O ATOM 536 CB SER A 516 -3.294 -1.377 13.534 1.00 14.13 C ATOM 537 OG SER A 516 -4.402 -2.004 14.158 1.00 42.40 O ATOM 0 H SER A 516 -1.481 -0.563 12.076 1.00 23.43 H new ATOM 0 HA SER A 516 -2.903 -2.990 12.168 1.00 20.15 H new ATOM 0 HB2 SER A 516 -2.396 -1.544 14.128 1.00 14.13 H new ATOM 0 HB3 SER A 516 -3.456 -0.300 13.496 1.00 14.13 H new ATOM 0 HG SER A 516 -4.515 -1.643 15.062 1.00 42.40 H new ATOM 543 N ARG A 517 -4.316 -0.590 10.507 1.00 53.21 N ATOM 544 CA ARG A 517 -5.447 -0.242 9.655 1.00 34.41 C ATOM 545 C ARG A 517 -5.261 -0.804 8.248 1.00 12.44 C ATOM 546 O ARG A 517 -6.229 -1.173 7.583 1.00 12.31 O ATOM 547 CB ARG A 517 -5.618 1.276 9.591 1.00 2.54 C ATOM 548 CG ARG A 517 -4.352 2.015 9.189 1.00 62.03 C ATOM 549 CD ARG A 517 -4.629 3.484 8.910 1.00 44.02 C ATOM 550 NE ARG A 517 -4.885 3.733 7.494 1.00 55.40 N ATOM 551 CZ ARG A 517 -5.511 4.813 7.040 1.00 55.43 C ATOM 552 NH1 ARG A 517 -5.942 5.739 7.886 1.00 42.23 N ATOM 553 NH2 ARG A 517 -5.708 4.969 5.737 1.00 43.23 N ATOM 0 H ARG A 517 -3.533 0.062 10.456 1.00 53.21 H new ATOM 0 HA ARG A 517 -6.345 -0.683 10.088 1.00 34.41 H new ATOM 0 HB2 ARG A 517 -6.409 1.514 8.880 1.00 2.54 H new ATOM 0 HB3 ARG A 517 -5.946 1.638 10.566 1.00 2.54 H new ATOM 0 HG2 ARG A 517 -3.611 1.928 9.983 1.00 62.03 H new ATOM 0 HG3 ARG A 517 -3.924 1.549 8.301 1.00 62.03 H new ATOM 0 HD2 ARG A 517 -5.489 3.809 9.496 1.00 44.02 H new ATOM 0 HD3 ARG A 517 -3.777 4.082 9.235 1.00 44.02 H new ATOM 0 HE ARG A 517 -4.566 3.040 6.817 1.00 55.40 H new ATOM 0 HH11 ARG A 517 -5.793 5.623 8.888 1.00 42.23 H new ATOM 0 HH12 ARG A 517 -6.422 6.567 7.534 1.00 42.23 H new ATOM 0 HH21 ARG A 517 -5.379 4.259 5.083 1.00 43.23 H new ATOM 0 HH22 ARG A 517 -6.189 5.799 5.390 1.00 43.23 H new ATOM 567 N TYR A 518 -4.012 -0.864 7.802 1.00 24.11 N ATOM 568 CA TYR A 518 -3.698 -1.377 6.474 1.00 75.14 C ATOM 569 C TYR A 518 -4.211 -2.804 6.306 1.00 22.42 C ATOM 570 O TYR A 518 -4.756 -3.161 5.261 1.00 31.24 O ATOM 571 CB TYR A 518 -2.189 -1.333 6.230 1.00 71.23 C ATOM 572 CG TYR A 518 -1.807 -0.703 4.909 1.00 32.42 C ATOM 573 CD1 TYR A 518 -1.004 -1.381 4.001 1.00 63.44 C ATOM 574 CD2 TYR A 518 -2.249 0.570 4.571 1.00 63.45 C ATOM 575 CE1 TYR A 518 -0.651 -0.810 2.793 1.00 15.22 C ATOM 576 CE2 TYR A 518 -1.903 1.148 3.365 1.00 43.31 C ATOM 577 CZ TYR A 518 -1.104 0.455 2.480 1.00 61.13 C ATOM 578 OH TYR A 518 -0.756 1.029 1.278 1.00 21.53 O ATOM 0 H TYR A 518 -3.200 -0.564 8.341 1.00 24.11 H new ATOM 0 HA TYR A 518 -4.196 -0.743 5.741 1.00 75.14 H new ATOM 0 HB2 TYR A 518 -1.715 -0.777 7.039 1.00 71.23 H new ATOM 0 HB3 TYR A 518 -1.794 -2.348 6.267 1.00 71.23 H new ATOM 0 HD1 TYR A 518 -0.649 -2.372 4.243 1.00 63.44 H new ATOM 0 HD2 TYR A 518 -2.873 1.117 5.262 1.00 63.45 H new ATOM 0 HE1 TYR A 518 -0.025 -1.350 2.099 1.00 15.22 H new ATOM 0 HE2 TYR A 518 -2.256 2.138 3.116 1.00 43.31 H new ATOM 0 HH TYR A 518 -1.158 1.920 1.213 1.00 21.53 H new ATOM 588 N ILE A 519 -4.032 -3.616 7.343 1.00 4.31 N ATOM 589 CA ILE A 519 -4.477 -5.003 7.313 1.00 63.35 C ATOM 590 C ILE A 519 -5.953 -5.099 6.941 1.00 23.14 C ATOM 591 O ILE A 519 -6.755 -4.247 7.320 1.00 53.25 O ATOM 592 CB ILE A 519 -4.254 -5.696 8.670 1.00 13.10 C ATOM 593 CG1 ILE A 519 -2.776 -5.639 9.060 1.00 0.22 C ATOM 594 CG2 ILE A 519 -4.738 -7.137 8.615 1.00 60.32 C ATOM 595 CD1 ILE A 519 -2.547 -5.249 10.504 1.00 64.33 C ATOM 0 H ILE A 519 -3.582 -3.336 8.214 1.00 4.31 H new ATOM 0 HA ILE A 519 -3.880 -5.509 6.554 1.00 63.35 H new ATOM 0 HB ILE A 519 -4.831 -5.168 9.430 1.00 13.10 H new ATOM 0 HG12 ILE A 519 -2.323 -6.614 8.879 1.00 0.22 H new ATOM 0 HG13 ILE A 519 -2.265 -4.925 8.414 1.00 0.22 H new ATOM 0 HG21 ILE A 519 -4.574 -7.613 9.582 1.00 60.32 H new ATOM 0 HG22 ILE A 519 -5.802 -7.155 8.378 1.00 60.32 H new ATOM 0 HG23 ILE A 519 -4.186 -7.677 7.846 1.00 60.32 H new ATOM 0 HD11 ILE A 519 -1.477 -5.229 10.710 1.00 64.33 H new ATOM 0 HD12 ILE A 519 -2.970 -4.261 10.686 1.00 64.33 H new ATOM 0 HD13 ILE A 519 -3.029 -5.976 11.158 1.00 64.33 H new ATOM 607 N GLY A 520 -6.304 -6.145 6.199 1.00 12.11 N ATOM 608 CA GLY A 520 -7.684 -6.334 5.790 1.00 23.44 C ATOM 609 C GLY A 520 -8.552 -6.871 6.911 1.00 22.21 C ATOM 610 O GLY A 520 -8.649 -6.262 7.976 1.00 73.44 O ATOM 0 H GLY A 520 -5.658 -6.864 5.874 1.00 12.11 H new ATOM 0 HA2 GLY A 520 -8.090 -5.384 5.443 1.00 23.44 H new ATOM 0 HA3 GLY A 520 -7.719 -7.023 4.946 1.00 23.44 H new ATOM 614 N ASN A 521 -9.186 -8.014 6.671 1.00 64.53 N ATOM 615 CA ASN A 521 -10.052 -8.632 7.668 1.00 73.11 C ATOM 616 C ASN A 521 -9.283 -9.654 8.499 1.00 61.40 C ATOM 617 O ASN A 521 -8.650 -10.560 7.956 1.00 24.21 O ATOM 618 CB ASN A 521 -11.247 -9.305 6.989 1.00 62.31 C ATOM 619 CG ASN A 521 -12.082 -8.327 6.185 1.00 65.32 C ATOM 620 OD1 ASN A 521 -12.351 -7.212 6.630 1.00 15.23 O ATOM 621 ND2 ASN A 521 -12.495 -8.743 4.993 1.00 1.32 N ATOM 0 H ASN A 521 -9.116 -8.531 5.795 1.00 64.53 H new ATOM 0 HA ASN A 521 -10.414 -7.848 8.334 1.00 73.11 H new ATOM 0 HB2 ASN A 521 -10.889 -10.098 6.333 1.00 62.31 H new ATOM 0 HB3 ASN A 521 -11.873 -9.776 7.746 1.00 62.31 H new ATOM 0 HD21 ASN A 521 -13.059 -8.129 4.406 1.00 1.32 H new ATOM 0 HD22 ASN A 521 -12.248 -9.677 4.665 1.00 1.32 H new ATOM 628 N ILE A 522 -9.343 -9.503 9.818 1.00 54.44 N ATOM 629 CA ILE A 522 -8.654 -10.413 10.723 1.00 31.32 C ATOM 630 C ILE A 522 -9.640 -11.119 11.649 1.00 44.42 C ATOM 631 O ILE A 522 -10.582 -10.508 12.152 1.00 14.52 O ATOM 632 CB ILE A 522 -7.606 -9.673 11.576 1.00 71.55 C ATOM 633 CG1 ILE A 522 -6.732 -8.784 10.689 1.00 12.53 C ATOM 634 CG2 ILE A 522 -6.750 -10.669 12.344 1.00 41.01 C ATOM 635 CD1 ILE A 522 -6.970 -7.304 10.897 1.00 20.22 C ATOM 0 H ILE A 522 -9.862 -8.758 10.283 1.00 54.44 H new ATOM 0 HA ILE A 522 -8.149 -11.153 10.102 1.00 31.32 H new ATOM 0 HB ILE A 522 -8.125 -9.039 12.295 1.00 71.55 H new ATOM 0 HG12 ILE A 522 -5.683 -9.007 10.886 1.00 12.53 H new ATOM 0 HG13 ILE A 522 -6.919 -9.031 9.644 1.00 12.53 H new ATOM 0 HG21 ILE A 522 -6.014 -10.131 12.942 1.00 41.01 H new ATOM 0 HG22 ILE A 522 -7.385 -11.265 13.000 1.00 41.01 H new ATOM 0 HG23 ILE A 522 -6.237 -11.325 11.641 1.00 41.01 H new ATOM 0 HD11 ILE A 522 -6.317 -6.734 10.236 1.00 20.22 H new ATOM 0 HD12 ILE A 522 -8.010 -7.068 10.672 1.00 20.22 H new ATOM 0 HD13 ILE A 522 -6.755 -7.043 11.933 1.00 20.22 H new ATOM 647 N LYS A 523 -9.414 -12.409 11.871 1.00 73.12 N ATOM 648 CA LYS A 523 -10.280 -13.199 12.739 1.00 64.24 C ATOM 649 C LYS A 523 -9.480 -13.837 13.870 1.00 64.12 C ATOM 650 O LYS A 523 -8.307 -14.175 13.701 1.00 73.53 O ATOM 651 CB LYS A 523 -10.994 -14.284 11.930 1.00 62.43 C ATOM 652 CG LYS A 523 -11.865 -15.198 12.774 1.00 23.43 C ATOM 653 CD LYS A 523 -12.500 -16.295 11.936 1.00 41.24 C ATOM 654 CE LYS A 523 -12.104 -17.677 12.432 1.00 2.34 C ATOM 655 NZ LYS A 523 -12.102 -18.682 11.334 1.00 44.35 N ATOM 0 H LYS A 523 -8.638 -12.930 11.462 1.00 73.12 H new ATOM 0 HA LYS A 523 -11.023 -12.531 13.175 1.00 64.24 H new ATOM 0 HB2 LYS A 523 -11.612 -13.810 11.168 1.00 62.43 H new ATOM 0 HB3 LYS A 523 -10.250 -14.885 11.408 1.00 62.43 H new ATOM 0 HG2 LYS A 523 -11.264 -15.646 13.565 1.00 23.43 H new ATOM 0 HG3 LYS A 523 -12.645 -14.612 13.259 1.00 23.43 H new ATOM 0 HD2 LYS A 523 -13.585 -16.194 11.965 1.00 41.24 H new ATOM 0 HD3 LYS A 523 -12.197 -16.180 10.895 1.00 41.24 H new ATOM 0 HE2 LYS A 523 -11.113 -17.630 12.883 1.00 2.34 H new ATOM 0 HE3 LYS A 523 -12.795 -17.994 13.213 1.00 2.34 H new ATOM 0 HZ1 LYS A 523 -11.827 -19.610 11.714 1.00 44.35 H new ATOM 0 HZ2 LYS A 523 -13.054 -18.746 10.920 1.00 44.35 H new ATOM 0 HZ3 LYS A 523 -11.424 -18.393 10.600 1.00 44.35 H new ATOM 669 N LEU A 524 -10.120 -14.000 15.022 1.00 2.23 N ATOM 670 CA LEU A 524 -9.468 -14.599 16.182 1.00 70.14 C ATOM 671 C LEU A 524 -10.396 -15.591 16.876 1.00 50.20 C ATOM 672 O LEU A 524 -11.187 -15.215 17.742 1.00 61.53 O ATOM 673 CB LEU A 524 -9.036 -13.512 17.167 1.00 44.10 C ATOM 674 CG LEU A 524 -8.033 -13.939 18.240 1.00 14.31 C ATOM 675 CD1 LEU A 524 -8.709 -14.816 19.283 1.00 62.04 C ATOM 676 CD2 LEU A 524 -6.855 -14.667 17.610 1.00 51.11 C ATOM 0 H LEU A 524 -11.090 -13.726 15.178 1.00 2.23 H new ATOM 0 HA LEU A 524 -8.586 -15.137 15.835 1.00 70.14 H new ATOM 0 HB2 LEU A 524 -8.603 -12.688 16.601 1.00 44.10 H new ATOM 0 HB3 LEU A 524 -9.926 -13.125 17.663 1.00 44.10 H new ATOM 0 HG LEU A 524 -7.657 -13.044 18.736 1.00 14.31 H new ATOM 0 HD11 LEU A 524 -7.980 -15.110 20.038 1.00 62.04 H new ATOM 0 HD12 LEU A 524 -9.518 -14.260 19.757 1.00 62.04 H new ATOM 0 HD13 LEU A 524 -9.113 -15.707 18.802 1.00 62.04 H new ATOM 0 HD21 LEU A 524 -6.152 -14.963 18.388 1.00 51.11 H new ATOM 0 HD22 LEU A 524 -7.213 -15.554 17.088 1.00 51.11 H new ATOM 0 HD23 LEU A 524 -6.355 -14.006 16.902 1.00 51.11 H new ATOM 688 N PHE A 525 -10.293 -16.859 16.492 1.00 45.31 N ATOM 689 CA PHE A 525 -11.122 -17.905 17.078 1.00 24.33 C ATOM 690 C PHE A 525 -10.411 -18.567 18.255 1.00 2.34 C ATOM 691 O PHE A 525 -9.401 -18.064 18.746 1.00 4.23 O ATOM 692 CB PHE A 525 -11.474 -18.957 16.024 1.00 23.03 C ATOM 693 CG PHE A 525 -12.940 -19.277 15.963 1.00 10.20 C ATOM 694 CD1 PHE A 525 -13.391 -20.569 16.181 1.00 45.24 C ATOM 695 CD2 PHE A 525 -13.868 -18.285 15.687 1.00 22.33 C ATOM 696 CE1 PHE A 525 -14.739 -20.866 16.125 1.00 32.43 C ATOM 697 CE2 PHE A 525 -15.218 -18.577 15.631 1.00 4.22 C ATOM 698 CZ PHE A 525 -15.654 -19.869 15.849 1.00 22.12 C ATOM 0 H PHE A 525 -9.643 -17.187 15.777 1.00 45.31 H new ATOM 0 HA PHE A 525 -12.040 -17.444 17.443 1.00 24.33 H new ATOM 0 HB2 PHE A 525 -11.146 -18.604 15.046 1.00 23.03 H new ATOM 0 HB3 PHE A 525 -10.919 -19.871 16.235 1.00 23.03 H new ATOM 0 HD1 PHE A 525 -12.680 -21.353 16.397 1.00 45.24 H new ATOM 0 HD2 PHE A 525 -13.533 -17.273 15.514 1.00 22.33 H new ATOM 0 HE1 PHE A 525 -15.077 -21.877 16.297 1.00 32.43 H new ATOM 0 HE2 PHE A 525 -15.931 -17.795 15.417 1.00 4.22 H new ATOM 0 HZ PHE A 525 -16.708 -20.099 15.804 1.00 22.12 H new ATOM 708 N ALA A 526 -10.947 -19.697 18.703 1.00 20.32 N ATOM 709 CA ALA A 526 -10.364 -20.429 19.821 1.00 12.11 C ATOM 710 C ALA A 526 -9.033 -21.060 19.429 1.00 24.45 C ATOM 711 O ALA A 526 -8.071 -21.031 20.198 1.00 71.34 O ATOM 712 CB ALA A 526 -11.331 -21.495 20.316 1.00 42.33 C ATOM 0 H ALA A 526 -11.784 -20.126 18.309 1.00 20.32 H new ATOM 0 HA ALA A 526 -10.177 -19.721 20.629 1.00 12.11 H new ATOM 0 HB1 ALA A 526 -10.883 -22.034 21.151 1.00 42.33 H new ATOM 0 HB2 ALA A 526 -12.257 -21.022 20.644 1.00 42.33 H new ATOM 0 HB3 ALA A 526 -11.547 -22.194 19.508 1.00 42.33 H new ATOM 718 N SER A 527 -8.984 -21.631 18.230 1.00 23.41 N ATOM 719 CA SER A 527 -7.771 -22.274 17.738 1.00 22.45 C ATOM 720 C SER A 527 -7.548 -21.958 16.263 1.00 40.32 C ATOM 721 O SER A 527 -7.035 -22.785 15.509 1.00 62.22 O ATOM 722 CB SER A 527 -7.853 -23.789 17.940 1.00 54.30 C ATOM 723 OG SER A 527 -7.881 -24.119 19.318 1.00 64.13 O ATOM 0 H SER A 527 -9.770 -21.662 17.581 1.00 23.41 H new ATOM 0 HA SER A 527 -6.927 -21.884 18.307 1.00 22.45 H new ATOM 0 HB2 SER A 527 -8.747 -24.176 17.452 1.00 54.30 H new ATOM 0 HB3 SER A 527 -6.997 -24.269 17.465 1.00 54.30 H new ATOM 0 HG SER A 527 -7.935 -25.092 19.420 1.00 64.13 H new ATOM 729 N HIS A 528 -7.938 -20.753 15.857 1.00 22.31 N ATOM 730 CA HIS A 528 -7.781 -20.325 14.472 1.00 63.45 C ATOM 731 C HIS A 528 -7.780 -18.803 14.370 1.00 74.12 C ATOM 732 O HIS A 528 -8.243 -18.111 15.276 1.00 4.45 O ATOM 733 CB HIS A 528 -8.900 -20.906 13.606 1.00 3.23 C ATOM 734 CG HIS A 528 -8.621 -22.294 13.119 1.00 33.52 C ATOM 735 ND1 HIS A 528 -9.111 -23.423 13.742 1.00 10.12 N ATOM 736 CD2 HIS A 528 -7.900 -22.734 12.061 1.00 11.43 C ATOM 737 CE1 HIS A 528 -8.702 -24.496 13.090 1.00 63.13 C ATOM 738 NE2 HIS A 528 -7.966 -24.105 12.065 1.00 25.20 N ATOM 0 H HIS A 528 -8.365 -20.056 16.468 1.00 22.31 H new ATOM 0 HA HIS A 528 -6.822 -20.696 14.110 1.00 63.45 H new ATOM 0 HB2 HIS A 528 -9.827 -20.911 14.180 1.00 3.23 H new ATOM 0 HB3 HIS A 528 -9.060 -20.254 12.747 1.00 3.23 H new ATOM 0 HD2 HIS A 528 -7.371 -22.120 11.347 1.00 11.43 H new ATOM 0 HE1 HIS A 528 -8.930 -25.519 13.350 1.00 63.13 H new ATOM 0 HE2 HIS A 528 -7.519 -24.722 11.387 1.00 25.20 H new ATOM 746 N SER A 529 -7.258 -18.289 13.261 1.00 52.02 N ATOM 747 CA SER A 529 -7.194 -16.849 13.043 1.00 44.42 C ATOM 748 C SER A 529 -6.851 -16.534 11.590 1.00 55.13 C ATOM 749 O SER A 529 -5.927 -17.112 11.017 1.00 2.13 O ATOM 750 CB SER A 529 -6.155 -16.217 13.971 1.00 2.05 C ATOM 751 OG SER A 529 -5.157 -17.156 14.335 1.00 55.14 O ATOM 0 H SER A 529 -6.873 -18.848 12.500 1.00 52.02 H new ATOM 0 HA SER A 529 -8.175 -16.429 13.267 1.00 44.42 H new ATOM 0 HB2 SER A 529 -5.692 -15.363 13.476 1.00 2.05 H new ATOM 0 HB3 SER A 529 -6.646 -15.838 14.867 1.00 2.05 H new ATOM 0 HG SER A 529 -5.470 -17.688 15.096 1.00 55.14 H new ATOM 757 N THR A 530 -7.605 -15.612 10.997 1.00 23.50 N ATOM 758 CA THR A 530 -7.384 -15.221 9.611 1.00 44.42 C ATOM 759 C THR A 530 -6.849 -13.796 9.521 1.00 51.22 C ATOM 760 O THR A 530 -6.890 -13.045 10.496 1.00 51.11 O ATOM 761 CB THR A 530 -8.679 -15.324 8.784 1.00 13.13 C ATOM 762 OG1 THR A 530 -9.538 -14.216 9.079 1.00 63.24 O ATOM 763 CG2 THR A 530 -9.406 -16.627 9.078 1.00 32.43 C ATOM 0 H THR A 530 -8.374 -15.123 11.456 1.00 23.50 H new ATOM 0 HA THR A 530 -6.646 -15.911 9.202 1.00 44.42 H new ATOM 0 HB THR A 530 -8.412 -15.305 7.727 1.00 13.13 H new ATOM 0 HG1 THR A 530 -10.359 -14.288 8.548 1.00 63.24 H new ATOM 0 HG21 THR A 530 -10.318 -16.677 8.482 1.00 32.43 H new ATOM 0 HG22 THR A 530 -8.761 -17.469 8.826 1.00 32.43 H new ATOM 0 HG23 THR A 530 -9.661 -16.670 10.137 1.00 32.43 H new ATOM 771 N ILE A 531 -6.349 -13.430 8.346 1.00 41.44 N ATOM 772 CA ILE A 531 -5.808 -12.093 8.129 1.00 72.50 C ATOM 773 C ILE A 531 -5.474 -11.867 6.658 1.00 30.54 C ATOM 774 O ILE A 531 -5.026 -12.781 5.967 1.00 71.15 O ATOM 775 CB ILE A 531 -4.543 -11.854 8.974 1.00 61.41 C ATOM 776 CG1 ILE A 531 -3.961 -10.470 8.681 1.00 54.15 C ATOM 777 CG2 ILE A 531 -3.510 -12.938 8.700 1.00 54.44 C ATOM 778 CD1 ILE A 531 -2.882 -10.049 9.653 1.00 31.43 C ATOM 0 H ILE A 531 -6.307 -14.040 7.529 1.00 41.44 H new ATOM 0 HA ILE A 531 -6.579 -11.387 8.436 1.00 72.50 H new ATOM 0 HB ILE A 531 -4.815 -11.897 10.029 1.00 61.41 H new ATOM 0 HG12 ILE A 531 -3.551 -10.464 7.671 1.00 54.15 H new ATOM 0 HG13 ILE A 531 -4.765 -9.735 8.703 1.00 54.15 H new ATOM 0 HG21 ILE A 531 -2.622 -12.755 9.305 1.00 54.44 H new ATOM 0 HG22 ILE A 531 -3.928 -13.912 8.955 1.00 54.44 H new ATOM 0 HG23 ILE A 531 -3.239 -12.924 7.644 1.00 54.44 H new ATOM 0 HD11 ILE A 531 -2.516 -9.058 9.384 1.00 31.43 H new ATOM 0 HD12 ILE A 531 -3.292 -10.022 10.663 1.00 31.43 H new ATOM 0 HD13 ILE A 531 -2.059 -10.763 9.614 1.00 31.43 H new ATOM 790 N GLU A 532 -5.694 -10.643 6.189 1.00 63.45 N ATOM 791 CA GLU A 532 -5.415 -10.298 4.800 1.00 44.53 C ATOM 792 C GLU A 532 -4.306 -9.252 4.712 1.00 71.44 C ATOM 793 O GLU A 532 -4.433 -8.149 5.245 1.00 31.52 O ATOM 794 CB GLU A 532 -6.680 -9.774 4.117 1.00 1.22 C ATOM 795 CG GLU A 532 -6.507 -9.515 2.630 1.00 64.10 C ATOM 796 CD GLU A 532 -7.758 -8.951 1.986 1.00 33.11 C ATOM 797 OE1 GLU A 532 -8.739 -9.709 1.832 1.00 23.44 O ATOM 798 OE2 GLU A 532 -7.758 -7.753 1.636 1.00 44.41 O ATOM 0 H GLU A 532 -6.064 -9.875 6.749 1.00 63.45 H new ATOM 0 HA GLU A 532 -5.082 -11.201 4.288 1.00 44.53 H new ATOM 0 HB2 GLU A 532 -7.485 -10.495 4.260 1.00 1.22 H new ATOM 0 HB3 GLU A 532 -6.989 -8.849 4.605 1.00 1.22 H new ATOM 0 HG2 GLU A 532 -5.681 -8.820 2.480 1.00 64.10 H new ATOM 0 HG3 GLU A 532 -6.235 -10.446 2.132 1.00 64.10 H new ATOM 805 N LEU A 533 -3.219 -9.607 4.035 1.00 33.22 N ATOM 806 CA LEU A 533 -2.087 -8.701 3.877 1.00 70.14 C ATOM 807 C LEU A 533 -2.070 -8.090 2.479 1.00 62.50 C ATOM 808 O LEU A 533 -2.113 -8.792 1.468 1.00 43.31 O ATOM 809 CB LEU A 533 -0.775 -9.442 4.138 1.00 62.51 C ATOM 810 CG LEU A 533 -0.052 -9.090 5.438 1.00 10.34 C ATOM 811 CD1 LEU A 533 -0.960 -9.329 6.635 1.00 4.42 C ATOM 812 CD2 LEU A 533 1.232 -9.896 5.571 1.00 73.12 C ATOM 0 H LEU A 533 -3.098 -10.515 3.587 1.00 33.22 H new ATOM 0 HA LEU A 533 -2.193 -7.896 4.604 1.00 70.14 H new ATOM 0 HB2 LEU A 533 -0.980 -10.513 4.138 1.00 62.51 H new ATOM 0 HB3 LEU A 533 -0.099 -9.247 3.306 1.00 62.51 H new ATOM 0 HG LEU A 533 0.209 -8.032 5.411 1.00 10.34 H new ATOM 0 HD11 LEU A 533 -0.429 -9.073 7.552 1.00 4.42 H new ATOM 0 HD12 LEU A 533 -1.851 -8.707 6.546 1.00 4.42 H new ATOM 0 HD13 LEU A 533 -1.252 -10.379 6.666 1.00 4.42 H new ATOM 0 HD21 LEU A 533 1.733 -9.632 6.502 1.00 73.12 H new ATOM 0 HD22 LEU A 533 0.995 -10.960 5.576 1.00 73.12 H new ATOM 0 HD23 LEU A 533 1.889 -9.674 4.730 1.00 73.12 H new ATOM 824 N PRO A 534 -2.003 -6.752 2.418 1.00 32.24 N ATOM 825 CA PRO A 534 -1.976 -6.018 1.150 1.00 3.41 C ATOM 826 C PRO A 534 -0.666 -6.215 0.394 1.00 11.23 C ATOM 827 O PRO A 534 -0.519 -5.765 -0.742 1.00 72.04 O ATOM 828 CB PRO A 534 -2.129 -4.557 1.583 1.00 61.34 C ATOM 829 CG PRO A 534 -1.609 -4.519 2.978 1.00 33.13 C ATOM 830 CD PRO A 534 -1.949 -5.853 3.583 1.00 32.13 C ATOM 0 HA PRO A 534 -2.753 -6.358 0.465 1.00 3.41 H new ATOM 0 HB2 PRO A 534 -1.564 -3.890 0.932 1.00 61.34 H new ATOM 0 HB3 PRO A 534 -3.170 -4.238 1.540 1.00 61.34 H new ATOM 0 HG2 PRO A 534 -0.532 -4.349 2.989 1.00 33.13 H new ATOM 0 HG3 PRO A 534 -2.066 -3.706 3.543 1.00 33.13 H new ATOM 0 HD2 PRO A 534 -1.195 -6.172 4.302 1.00 32.13 H new ATOM 0 HD3 PRO A 534 -2.901 -5.823 4.112 1.00 32.13 H new ATOM 838 N LYS A 535 0.284 -6.890 1.032 1.00 32.31 N ATOM 839 CA LYS A 535 1.582 -7.149 0.420 1.00 34.20 C ATOM 840 C LYS A 535 1.418 -7.642 -1.014 1.00 41.54 C ATOM 841 O LYS A 535 0.421 -8.278 -1.353 1.00 23.44 O ATOM 842 CB LYS A 535 2.358 -8.182 1.240 1.00 61.34 C ATOM 843 CG LYS A 535 2.643 -7.739 2.664 1.00 34.23 C ATOM 844 CD LYS A 535 3.649 -6.601 2.704 1.00 71.41 C ATOM 845 CE LYS A 535 5.024 -7.057 2.239 1.00 54.33 C ATOM 846 NZ LYS A 535 6.060 -6.012 2.466 1.00 42.12 N ATOM 0 H LYS A 535 0.179 -7.268 1.974 1.00 32.31 H new ATOM 0 HA LYS A 535 2.141 -6.214 0.402 1.00 34.20 H new ATOM 0 HB2 LYS A 535 1.792 -9.113 1.265 1.00 61.34 H new ATOM 0 HB3 LYS A 535 3.302 -8.396 0.739 1.00 61.34 H new ATOM 0 HG2 LYS A 535 1.715 -7.422 3.140 1.00 34.23 H new ATOM 0 HG3 LYS A 535 3.024 -8.583 3.239 1.00 34.23 H new ATOM 0 HD2 LYS A 535 3.302 -5.784 2.071 1.00 71.41 H new ATOM 0 HD3 LYS A 535 3.718 -6.210 3.719 1.00 71.41 H new ATOM 0 HE2 LYS A 535 5.304 -7.967 2.770 1.00 54.33 H new ATOM 0 HE3 LYS A 535 4.985 -7.306 1.178 1.00 54.33 H new ATOM 0 HZ1 LYS A 535 6.983 -6.361 2.136 1.00 42.12 H new ATOM 0 HZ2 LYS A 535 5.807 -5.152 1.939 1.00 42.12 H new ATOM 0 HZ3 LYS A 535 6.115 -5.793 3.481 1.00 42.12 H new ATOM 860 N GLY A 536 2.405 -7.343 -1.854 1.00 71.01 N ATOM 861 CA GLY A 536 2.351 -7.764 -3.242 1.00 21.32 C ATOM 862 C GLY A 536 3.614 -8.480 -3.680 1.00 14.12 C ATOM 863 O GLY A 536 4.107 -8.261 -4.786 1.00 31.12 O ATOM 0 H GLY A 536 3.241 -6.817 -1.598 1.00 71.01 H new ATOM 0 HA2 GLY A 536 1.495 -8.423 -3.386 1.00 21.32 H new ATOM 0 HA3 GLY A 536 2.192 -6.892 -3.877 1.00 21.32 H new ATOM 867 N MET A 537 4.139 -9.336 -2.810 1.00 34.43 N ATOM 868 CA MET A 537 5.352 -10.086 -3.113 1.00 41.02 C ATOM 869 C MET A 537 5.689 -11.055 -1.984 1.00 61.15 C ATOM 870 O MET A 537 6.696 -10.912 -1.291 1.00 1.32 O ATOM 871 CB MET A 537 6.523 -9.129 -3.346 1.00 61.44 C ATOM 872 CG MET A 537 7.569 -9.672 -4.307 1.00 53.34 C ATOM 873 SD MET A 537 8.515 -8.366 -5.114 1.00 12.43 S ATOM 874 CE MET A 537 9.975 -9.270 -5.622 1.00 10.20 C ATOM 0 H MET A 537 3.743 -9.528 -1.890 1.00 34.43 H new ATOM 0 HA MET A 537 5.176 -10.662 -4.021 1.00 41.02 H new ATOM 0 HB2 MET A 537 6.139 -8.186 -3.735 1.00 61.44 H new ATOM 0 HB3 MET A 537 6.998 -8.910 -2.390 1.00 61.44 H new ATOM 0 HG2 MET A 537 8.251 -10.327 -3.764 1.00 53.34 H new ATOM 0 HG3 MET A 537 7.078 -10.282 -5.066 1.00 53.34 H new ATOM 0 HE1 MET A 537 10.659 -8.596 -6.137 1.00 10.20 H new ATOM 0 HE2 MET A 537 10.469 -9.687 -4.744 1.00 10.20 H new ATOM 0 HE3 MET A 537 9.687 -10.078 -6.294 1.00 10.20 H new ATOM 884 N PRO A 538 4.828 -12.066 -1.794 1.00 40.22 N ATOM 885 CA PRO A 538 5.014 -13.078 -0.751 1.00 31.35 C ATOM 886 C PRO A 538 6.189 -14.005 -1.045 1.00 13.14 C ATOM 887 O PRO A 538 6.841 -13.886 -2.081 1.00 22.43 O ATOM 888 CB PRO A 538 3.698 -13.859 -0.775 1.00 74.24 C ATOM 889 CG PRO A 538 3.173 -13.673 -2.157 1.00 60.53 C ATOM 890 CD PRO A 538 3.607 -12.298 -2.584 1.00 31.34 C ATOM 0 HA PRO A 538 5.241 -12.629 0.216 1.00 31.35 H new ATOM 0 HB2 PRO A 538 3.859 -14.914 -0.551 1.00 74.24 H new ATOM 0 HB3 PRO A 538 2.998 -13.479 -0.031 1.00 74.24 H new ATOM 0 HG2 PRO A 538 3.569 -14.434 -2.830 1.00 60.53 H new ATOM 0 HG3 PRO A 538 2.087 -13.763 -2.177 1.00 60.53 H new ATOM 0 HD2 PRO A 538 3.806 -12.254 -3.655 1.00 31.34 H new ATOM 0 HD3 PRO A 538 2.842 -11.551 -2.371 1.00 31.34 H new ATOM 898 N GLY A 539 6.453 -14.929 -0.125 1.00 54.32 N ATOM 899 CA GLY A 539 7.549 -15.862 -0.305 1.00 71.43 C ATOM 900 C GLY A 539 8.841 -15.366 0.313 1.00 52.02 C ATOM 901 O GLY A 539 9.911 -15.915 0.053 1.00 0.21 O ATOM 0 H GLY A 539 5.927 -15.047 0.741 1.00 54.32 H new ATOM 0 HA2 GLY A 539 7.282 -16.821 0.139 1.00 71.43 H new ATOM 0 HA3 GLY A 539 7.703 -16.036 -1.370 1.00 71.43 H new ATOM 905 N GLU A 540 8.741 -14.323 1.132 1.00 61.53 N ATOM 906 CA GLU A 540 9.912 -13.752 1.786 1.00 63.11 C ATOM 907 C GLU A 540 10.300 -14.567 3.016 1.00 22.42 C ATOM 908 O GLU A 540 11.419 -15.072 3.113 1.00 71.32 O ATOM 909 CB GLU A 540 9.642 -12.300 2.187 1.00 65.30 C ATOM 910 CG GLU A 540 8.958 -11.486 1.102 1.00 61.21 C ATOM 911 CD GLU A 540 9.792 -11.379 -0.160 1.00 53.13 C ATOM 912 OE1 GLU A 540 10.463 -10.342 -0.342 1.00 63.10 O ATOM 913 OE2 GLU A 540 9.772 -12.333 -0.966 1.00 41.23 O ATOM 0 H GLU A 540 7.862 -13.857 1.358 1.00 61.53 H new ATOM 0 HA GLU A 540 10.741 -13.778 1.078 1.00 63.11 H new ATOM 0 HB2 GLU A 540 9.022 -12.289 3.083 1.00 65.30 H new ATOM 0 HB3 GLU A 540 10.587 -11.822 2.447 1.00 65.30 H new ATOM 0 HG2 GLU A 540 7.998 -11.943 0.861 1.00 61.21 H new ATOM 0 HG3 GLU A 540 8.749 -10.486 1.481 1.00 61.21 H new ATOM 920 N VAL A 541 9.367 -14.691 3.955 1.00 25.11 N ATOM 921 CA VAL A 541 9.610 -15.445 5.179 1.00 3.13 C ATOM 922 C VAL A 541 9.369 -16.935 4.964 1.00 15.34 C ATOM 923 O VAL A 541 10.026 -17.777 5.578 1.00 42.53 O ATOM 924 CB VAL A 541 8.713 -14.951 6.330 1.00 61.12 C ATOM 925 CG1 VAL A 541 9.054 -15.677 7.622 1.00 3.34 C ATOM 926 CG2 VAL A 541 8.848 -13.446 6.502 1.00 44.20 C ATOM 0 H VAL A 541 8.436 -14.279 3.891 1.00 25.11 H new ATOM 0 HA VAL A 541 10.654 -15.284 5.448 1.00 3.13 H new ATOM 0 HB VAL A 541 7.676 -15.173 6.080 1.00 61.12 H new ATOM 0 HG11 VAL A 541 8.410 -15.315 8.424 1.00 3.34 H new ATOM 0 HG12 VAL A 541 8.900 -16.748 7.489 1.00 3.34 H new ATOM 0 HG13 VAL A 541 10.096 -15.489 7.881 1.00 3.34 H new ATOM 0 HG21 VAL A 541 8.208 -13.114 7.319 1.00 44.20 H new ATOM 0 HG22 VAL A 541 9.885 -13.197 6.729 1.00 44.20 H new ATOM 0 HG23 VAL A 541 8.549 -12.946 5.581 1.00 44.20 H new ATOM 936 N LEU A 542 8.421 -17.254 4.089 1.00 25.45 N ATOM 937 CA LEU A 542 8.092 -18.644 3.792 1.00 22.10 C ATOM 938 C LEU A 542 9.264 -19.349 3.117 1.00 25.01 C ATOM 939 O LEU A 542 9.363 -20.575 3.147 1.00 64.31 O ATOM 940 CB LEU A 542 6.855 -18.715 2.895 1.00 31.14 C ATOM 941 CG LEU A 542 5.511 -18.488 3.588 1.00 55.24 C ATOM 942 CD1 LEU A 542 5.145 -17.012 3.573 1.00 42.45 C ATOM 943 CD2 LEU A 542 4.421 -19.316 2.921 1.00 1.45 C ATOM 0 H LEU A 542 7.867 -16.570 3.573 1.00 25.45 H new ATOM 0 HA LEU A 542 7.881 -19.151 4.734 1.00 22.10 H new ATOM 0 HB2 LEU A 542 6.962 -17.974 2.102 1.00 31.14 H new ATOM 0 HB3 LEU A 542 6.834 -19.694 2.416 1.00 31.14 H new ATOM 0 HG LEU A 542 5.600 -18.809 4.626 1.00 55.24 H new ATOM 0 HD11 LEU A 542 4.186 -16.870 4.071 1.00 42.45 H new ATOM 0 HD12 LEU A 542 5.913 -16.441 4.096 1.00 42.45 H new ATOM 0 HD13 LEU A 542 5.074 -16.665 2.542 1.00 42.45 H new ATOM 0 HD21 LEU A 542 3.471 -19.142 3.427 1.00 1.45 H new ATOM 0 HD22 LEU A 542 4.333 -19.026 1.874 1.00 1.45 H new ATOM 0 HD23 LEU A 542 4.678 -20.374 2.984 1.00 1.45 H new ATOM 955 N GLN A 543 10.150 -18.565 2.511 1.00 5.04 N ATOM 956 CA GLN A 543 11.317 -19.115 1.831 1.00 52.23 C ATOM 957 C GLN A 543 12.424 -19.442 2.827 1.00 63.42 C ATOM 958 O GLN A 543 12.861 -20.589 2.931 1.00 74.31 O ATOM 959 CB GLN A 543 11.833 -18.129 0.782 1.00 44.52 C ATOM 960 CG GLN A 543 11.280 -18.377 -0.612 1.00 71.30 C ATOM 961 CD GLN A 543 11.933 -19.562 -1.297 1.00 3.53 C ATOM 962 OE1 GLN A 543 13.087 -19.489 -1.720 1.00 24.40 O ATOM 963 NE2 GLN A 543 11.197 -20.661 -1.409 1.00 42.00 N ATOM 0 H GLN A 543 10.082 -17.548 2.477 1.00 5.04 H new ATOM 0 HA GLN A 543 11.016 -20.038 1.335 1.00 52.23 H new ATOM 0 HB2 GLN A 543 11.576 -17.116 1.091 1.00 44.52 H new ATOM 0 HB3 GLN A 543 12.921 -18.185 0.747 1.00 44.52 H new ATOM 0 HG2 GLN A 543 10.205 -18.547 -0.547 1.00 71.30 H new ATOM 0 HG3 GLN A 543 11.426 -17.485 -1.221 1.00 71.30 H new ATOM 0 HE21 GLN A 543 10.245 -20.677 -1.044 1.00 42.00 H new ATOM 0 HE22 GLN A 543 11.584 -21.490 -1.860 1.00 42.00 H new ATOM 972 N HIS A 544 12.876 -18.428 3.557 1.00 13.33 N ATOM 973 CA HIS A 544 13.933 -18.608 4.546 1.00 71.12 C ATOM 974 C HIS A 544 13.423 -19.395 5.749 1.00 31.22 C ATOM 975 O HIS A 544 13.986 -20.429 6.112 1.00 55.42 O ATOM 976 CB HIS A 544 14.472 -17.252 5.000 1.00 1.54 C ATOM 977 CG HIS A 544 14.944 -16.386 3.873 1.00 72.14 C ATOM 978 ND1 HIS A 544 14.607 -15.054 3.755 1.00 63.15 N ATOM 979 CD2 HIS A 544 15.732 -16.669 2.809 1.00 23.25 C ATOM 980 CE1 HIS A 544 15.167 -14.556 2.667 1.00 51.34 C ATOM 981 NE2 HIS A 544 15.856 -15.515 2.075 1.00 34.33 N ATOM 0 H HIS A 544 12.527 -17.473 3.483 1.00 13.33 H new ATOM 0 HA HIS A 544 14.740 -19.173 4.080 1.00 71.12 H new ATOM 0 HB2 HIS A 544 13.691 -16.726 5.549 1.00 1.54 H new ATOM 0 HB3 HIS A 544 15.297 -17.412 5.694 1.00 1.54 H new ATOM 0 HD2 HIS A 544 16.180 -17.625 2.580 1.00 23.25 H new ATOM 0 HE1 HIS A 544 15.077 -13.537 2.320 1.00 51.34 H new ATOM 0 HE2 HIS A 544 16.393 -15.415 1.213 1.00 34.33 H new ATOM 989 N PHE A 545 12.355 -18.899 6.365 1.00 73.31 N ATOM 990 CA PHE A 545 11.770 -19.555 7.529 1.00 71.13 C ATOM 991 C PHE A 545 10.679 -20.536 7.109 1.00 31.02 C ATOM 992 O PHE A 545 9.607 -20.587 7.713 1.00 10.14 O ATOM 993 CB PHE A 545 11.193 -18.515 8.491 1.00 44.50 C ATOM 994 CG PHE A 545 12.194 -17.483 8.929 1.00 70.44 C ATOM 995 CD1 PHE A 545 12.828 -17.592 10.156 1.00 43.43 C ATOM 996 CD2 PHE A 545 12.501 -16.406 8.113 1.00 74.33 C ATOM 997 CE1 PHE A 545 13.749 -16.644 10.561 1.00 52.40 C ATOM 998 CE2 PHE A 545 13.421 -15.455 8.513 1.00 73.44 C ATOM 999 CZ PHE A 545 14.046 -15.575 9.738 1.00 43.00 C ATOM 0 H PHE A 545 11.877 -18.045 6.078 1.00 73.31 H new ATOM 0 HA PHE A 545 12.559 -20.111 8.036 1.00 71.13 H new ATOM 0 HB2 PHE A 545 10.353 -18.014 8.010 1.00 44.50 H new ATOM 0 HB3 PHE A 545 10.799 -19.024 9.371 1.00 44.50 H new ATOM 0 HD1 PHE A 545 12.600 -18.426 10.803 1.00 43.43 H new ATOM 0 HD2 PHE A 545 12.016 -16.308 7.153 1.00 74.33 H new ATOM 0 HE1 PHE A 545 14.236 -16.739 11.520 1.00 52.40 H new ATOM 0 HE2 PHE A 545 13.650 -14.620 7.868 1.00 73.44 H new ATOM 0 HZ PHE A 545 14.766 -14.834 10.053 1.00 43.00 H new ATOM 1009 N THR A 546 10.959 -21.314 6.069 1.00 64.45 N ATOM 1010 CA THR A 546 10.003 -22.293 5.566 1.00 40.40 C ATOM 1011 C THR A 546 9.711 -23.363 6.611 1.00 21.30 C ATOM 1012 O THR A 546 8.658 -24.001 6.583 1.00 65.03 O ATOM 1013 CB THR A 546 10.516 -22.971 4.282 1.00 72.13 C ATOM 1014 OG1 THR A 546 9.466 -23.735 3.678 1.00 34.04 O ATOM 1015 CG2 THR A 546 11.700 -23.877 4.584 1.00 34.20 C ATOM 0 H THR A 546 11.841 -21.285 5.558 1.00 64.45 H new ATOM 0 HA THR A 546 9.085 -21.751 5.339 1.00 40.40 H new ATOM 0 HB THR A 546 10.841 -22.193 3.592 1.00 72.13 H new ATOM 0 HG1 THR A 546 9.800 -24.162 2.861 1.00 34.04 H new ATOM 0 HG21 THR A 546 12.045 -24.345 3.662 1.00 34.20 H new ATOM 0 HG22 THR A 546 12.508 -23.287 5.016 1.00 34.20 H new ATOM 0 HG23 THR A 546 11.396 -24.649 5.291 1.00 34.20 H new ATOM 1023 N ARG A 547 10.649 -23.555 7.533 1.00 61.22 N ATOM 1024 CA ARG A 547 10.492 -24.550 8.587 1.00 10.32 C ATOM 1025 C ARG A 547 10.374 -23.880 9.953 1.00 5.02 C ATOM 1026 O ARG A 547 10.195 -24.548 10.972 1.00 70.52 O ATOM 1027 CB ARG A 547 11.675 -25.520 8.583 1.00 52.20 C ATOM 1028 CG ARG A 547 13.011 -24.852 8.865 1.00 31.45 C ATOM 1029 CD ARG A 547 13.309 -24.812 10.356 1.00 24.30 C ATOM 1030 NE ARG A 547 14.726 -24.581 10.624 1.00 23.14 N ATOM 1031 CZ ARG A 547 15.650 -25.534 10.566 1.00 3.44 C ATOM 1032 NH1 ARG A 547 15.308 -26.775 10.251 1.00 63.22 N ATOM 1033 NH2 ARG A 547 16.920 -25.245 10.824 1.00 55.00 N ATOM 0 H ARG A 547 11.525 -23.035 7.571 1.00 61.22 H new ATOM 0 HA ARG A 547 9.575 -25.106 8.393 1.00 10.32 H new ATOM 0 HB2 ARG A 547 11.501 -26.295 9.329 1.00 52.20 H new ATOM 0 HB3 ARG A 547 11.724 -26.016 7.614 1.00 52.20 H new ATOM 0 HG2 ARG A 547 13.805 -25.391 8.348 1.00 31.45 H new ATOM 0 HG3 ARG A 547 13.003 -23.837 8.467 1.00 31.45 H new ATOM 0 HD2 ARG A 547 12.718 -24.024 10.823 1.00 24.30 H new ATOM 0 HD3 ARG A 547 13.002 -25.753 10.813 1.00 24.30 H new ATOM 0 HE ARG A 547 15.023 -23.636 10.869 1.00 23.14 H new ATOM 0 HH11 ARG A 547 14.333 -27.001 10.052 1.00 63.22 H new ATOM 0 HH12 ARG A 547 16.019 -27.505 10.207 1.00 63.22 H new ATOM 0 HH21 ARG A 547 17.187 -24.291 11.067 1.00 55.00 H new ATOM 0 HH22 ARG A 547 17.629 -25.977 10.779 1.00 55.00 H new ATOM 1047 N THR A 548 10.477 -22.555 9.968 1.00 45.54 N ATOM 1048 CA THR A 548 10.385 -21.794 11.207 1.00 34.25 C ATOM 1049 C THR A 548 9.162 -20.884 11.204 1.00 42.42 C ATOM 1050 O THR A 548 9.013 -20.033 10.326 1.00 35.23 O ATOM 1051 CB THR A 548 11.646 -20.941 11.439 1.00 52.42 C ATOM 1052 OG1 THR A 548 12.798 -21.785 11.535 1.00 62.12 O ATOM 1053 CG2 THR A 548 11.512 -20.110 12.706 1.00 23.24 C ATOM 0 H THR A 548 10.624 -21.986 9.134 1.00 45.54 H new ATOM 0 HA THR A 548 10.293 -22.519 12.016 1.00 34.25 H new ATOM 0 HB THR A 548 11.761 -20.265 10.591 1.00 52.42 H new ATOM 0 HG1 THR A 548 13.596 -21.235 11.681 1.00 62.12 H new ATOM 0 HG21 THR A 548 12.415 -19.516 12.849 1.00 23.24 H new ATOM 0 HG22 THR A 548 10.652 -19.447 12.617 1.00 23.24 H new ATOM 0 HG23 THR A 548 11.374 -20.771 13.562 1.00 23.24 H new ATOM 1061 N ARG A 549 8.291 -21.067 12.190 1.00 13.23 N ATOM 1062 CA ARG A 549 7.080 -20.261 12.300 1.00 64.30 C ATOM 1063 C ARG A 549 6.588 -20.214 13.743 1.00 34.23 C ATOM 1064 O ARG A 549 7.163 -20.850 14.627 1.00 4.30 O ATOM 1065 CB ARG A 549 5.984 -20.824 11.394 1.00 50.14 C ATOM 1066 CG ARG A 549 6.174 -20.483 9.924 1.00 30.55 C ATOM 1067 CD ARG A 549 6.784 -21.646 9.157 1.00 34.45 C ATOM 1068 NE ARG A 549 5.817 -22.279 8.264 1.00 62.31 N ATOM 1069 CZ ARG A 549 5.538 -21.829 7.046 1.00 52.21 C ATOM 1070 NH1 ARG A 549 6.148 -20.749 6.579 1.00 44.42 N ATOM 1071 NH2 ARG A 549 4.646 -22.459 6.292 1.00 23.52 N ATOM 0 H ARG A 549 8.401 -21.766 12.925 1.00 13.23 H new ATOM 0 HA ARG A 549 7.319 -19.246 11.983 1.00 64.30 H new ATOM 0 HB2 ARG A 549 5.953 -21.908 11.506 1.00 50.14 H new ATOM 0 HB3 ARG A 549 5.018 -20.442 11.725 1.00 50.14 H new ATOM 0 HG2 ARG A 549 5.213 -20.219 9.483 1.00 30.55 H new ATOM 0 HG3 ARG A 549 6.817 -19.608 9.832 1.00 30.55 H new ATOM 0 HD2 ARG A 549 7.635 -21.291 8.576 1.00 34.45 H new ATOM 0 HD3 ARG A 549 7.165 -22.385 9.862 1.00 34.45 H new ATOM 0 HE ARG A 549 5.329 -23.112 8.594 1.00 62.31 H new ATOM 0 HH11 ARG A 549 6.834 -20.261 7.155 1.00 44.42 H new ATOM 0 HH12 ARG A 549 5.932 -20.406 5.643 1.00 44.42 H new ATOM 0 HH21 ARG A 549 4.174 -23.290 6.648 1.00 23.52 H new ATOM 0 HH22 ARG A 549 4.433 -22.112 5.357 1.00 23.52 H new ATOM 1085 N ILE A 550 5.520 -19.457 13.974 1.00 21.52 N ATOM 1086 CA ILE A 550 4.950 -19.328 15.309 1.00 22.35 C ATOM 1087 C ILE A 550 3.551 -18.724 15.254 1.00 21.30 C ATOM 1088 O ILE A 550 3.035 -18.424 14.177 1.00 73.13 O ATOM 1089 CB ILE A 550 5.838 -18.457 16.218 1.00 35.44 C ATOM 1090 CG1 ILE A 550 5.647 -18.852 17.684 1.00 35.32 C ATOM 1091 CG2 ILE A 550 5.518 -16.984 16.015 1.00 4.33 C ATOM 1092 CD1 ILE A 550 6.945 -18.984 18.449 1.00 42.23 C ATOM 0 H ILE A 550 5.033 -18.924 13.254 1.00 21.52 H new ATOM 0 HA ILE A 550 4.892 -20.333 15.726 1.00 22.35 H new ATOM 0 HB ILE A 550 6.881 -18.623 15.950 1.00 35.44 H new ATOM 0 HG12 ILE A 550 5.020 -18.107 18.174 1.00 35.32 H new ATOM 0 HG13 ILE A 550 5.110 -19.799 17.729 1.00 35.32 H new ATOM 0 HG21 ILE A 550 6.153 -16.381 16.664 1.00 4.33 H new ATOM 0 HG22 ILE A 550 5.699 -16.712 14.975 1.00 4.33 H new ATOM 0 HG23 ILE A 550 4.472 -16.802 16.260 1.00 4.33 H new ATOM 0 HD11 ILE A 550 6.733 -19.266 19.480 1.00 42.23 H new ATOM 0 HD12 ILE A 550 7.565 -19.750 17.984 1.00 42.23 H new ATOM 0 HD13 ILE A 550 7.474 -18.031 18.435 1.00 42.23 H new ATOM 1104 N LEU A 551 2.943 -18.547 16.422 1.00 52.25 N ATOM 1105 CA LEU A 551 1.603 -17.976 16.507 1.00 30.02 C ATOM 1106 C LEU A 551 1.405 -16.891 15.454 1.00 41.32 C ATOM 1107 O LEU A 551 0.359 -16.820 14.810 1.00 10.04 O ATOM 1108 CB LEU A 551 1.362 -17.398 17.903 1.00 73.22 C ATOM 1109 CG LEU A 551 2.243 -16.213 18.300 1.00 32.43 C ATOM 1110 CD1 LEU A 551 1.555 -14.900 17.962 1.00 44.21 C ATOM 1111 CD2 LEU A 551 2.581 -16.274 19.783 1.00 61.12 C ATOM 0 H LEU A 551 3.356 -18.790 17.322 1.00 52.25 H new ATOM 0 HA LEU A 551 0.883 -18.773 16.320 1.00 30.02 H new ATOM 0 HB2 LEU A 551 0.319 -17.089 17.971 1.00 73.22 H new ATOM 0 HB3 LEU A 551 1.507 -18.194 18.634 1.00 73.22 H new ATOM 0 HG LEU A 551 3.172 -16.269 17.733 1.00 32.43 H new ATOM 0 HD11 LEU A 551 2.197 -14.068 18.252 1.00 44.21 H new ATOM 0 HD12 LEU A 551 1.364 -14.855 16.890 1.00 44.21 H new ATOM 0 HD13 LEU A 551 0.610 -14.835 18.502 1.00 44.21 H new ATOM 0 HD21 LEU A 551 3.209 -15.423 20.048 1.00 61.12 H new ATOM 0 HD22 LEU A 551 1.661 -16.243 20.367 1.00 61.12 H new ATOM 0 HD23 LEU A 551 3.115 -17.200 19.997 1.00 61.12 H new ATOM 1123 N ASN A 552 2.418 -16.048 15.282 1.00 25.02 N ATOM 1124 CA ASN A 552 2.356 -14.967 14.305 1.00 4.14 C ATOM 1125 C ASN A 552 2.564 -15.499 12.891 1.00 70.42 C ATOM 1126 O ASN A 552 1.681 -15.394 12.040 1.00 74.13 O ATOM 1127 CB ASN A 552 3.411 -13.904 14.622 1.00 33.21 C ATOM 1128 CG ASN A 552 3.454 -12.804 13.579 1.00 22.13 C ATOM 1129 OD1 ASN A 552 2.284 -12.313 13.188 1.00 44.32 O flip ATOM 1130 ND2 ASN A 552 4.527 -12.401 13.131 1.00 11.15 N flip ATOM 0 H ASN A 552 3.292 -16.093 15.807 1.00 25.02 H new ATOM 0 HA ASN A 552 1.366 -14.516 14.362 1.00 4.14 H new ATOM 0 HB2 ASN A 552 3.201 -13.467 15.598 1.00 33.21 H new ATOM 0 HB3 ASN A 552 4.391 -14.377 14.688 1.00 33.21 H new ATOM 0 HD21 ASN A 552 5.402 -12.808 13.461 1.00 11.15 H new ATOM 0 HD22 ASN A 552 4.541 -11.660 12.430 1.00 11.15 H new ATOM 1137 N LYS A 553 3.738 -16.072 12.646 1.00 33.35 N ATOM 1138 CA LYS A 553 4.063 -16.624 11.336 1.00 15.34 C ATOM 1139 C LYS A 553 3.112 -17.761 10.974 1.00 44.42 C ATOM 1140 O LYS A 553 2.427 -18.325 11.827 1.00 53.43 O ATOM 1141 CB LYS A 553 5.508 -17.127 11.316 1.00 12.40 C ATOM 1142 CG LYS A 553 6.464 -16.261 12.117 1.00 4.33 C ATOM 1143 CD LYS A 553 6.367 -14.800 11.712 1.00 15.51 C ATOM 1144 CE LYS A 553 6.696 -14.606 10.240 1.00 73.12 C ATOM 1145 NZ LYS A 553 5.539 -14.054 9.481 1.00 65.22 N ATOM 0 H LYS A 553 4.481 -16.166 13.339 1.00 33.35 H new ATOM 0 HA LYS A 553 3.951 -15.831 10.597 1.00 15.34 H new ATOM 0 HB2 LYS A 553 5.536 -18.143 11.709 1.00 12.40 H new ATOM 0 HB3 LYS A 553 5.853 -17.175 10.283 1.00 12.40 H new ATOM 0 HG2 LYS A 553 6.242 -16.360 13.180 1.00 4.33 H new ATOM 0 HG3 LYS A 553 7.485 -16.613 11.970 1.00 4.33 H new ATOM 0 HD2 LYS A 553 5.361 -14.432 11.912 1.00 15.51 H new ATOM 0 HD3 LYS A 553 7.050 -14.207 12.320 1.00 15.51 H new ATOM 0 HE2 LYS A 553 7.548 -13.933 10.144 1.00 73.12 H new ATOM 0 HE3 LYS A 553 6.993 -15.560 9.805 1.00 73.12 H new ATOM 0 HZ1 LYS A 553 5.883 -13.386 8.762 1.00 65.22 H new ATOM 0 HZ2 LYS A 553 5.027 -14.830 9.016 1.00 65.22 H new ATOM 0 HZ3 LYS A 553 4.899 -13.559 10.135 1.00 65.22 H new ATOM 1159 N PRO A 554 3.070 -18.107 9.679 1.00 62.42 N ATOM 1160 CA PRO A 554 2.209 -19.181 9.175 1.00 63.44 C ATOM 1161 C PRO A 554 2.676 -20.560 9.630 1.00 75.13 C ATOM 1162 O PRO A 554 3.291 -21.301 8.864 1.00 33.41 O ATOM 1163 CB PRO A 554 2.332 -19.050 7.654 1.00 21.34 C ATOM 1164 CG PRO A 554 3.654 -18.398 7.436 1.00 73.51 C ATOM 1165 CD PRO A 554 3.860 -17.478 8.607 1.00 22.21 C ATOM 0 HA PRO A 554 1.187 -19.091 9.543 1.00 63.44 H new ATOM 0 HB2 PRO A 554 2.286 -20.024 7.168 1.00 21.34 H new ATOM 0 HB3 PRO A 554 1.521 -18.449 7.241 1.00 21.34 H new ATOM 0 HG2 PRO A 554 4.450 -19.140 7.378 1.00 73.51 H new ATOM 0 HG3 PRO A 554 3.666 -17.844 6.497 1.00 73.51 H new ATOM 0 HD2 PRO A 554 4.913 -17.401 8.877 1.00 22.21 H new ATOM 0 HD3 PRO A 554 3.511 -16.468 8.391 1.00 22.21 H new ATOM 1173 N MET A 555 2.378 -20.897 10.880 1.00 30.24 N ATOM 1174 CA MET A 555 2.766 -22.188 11.436 1.00 32.42 C ATOM 1175 C MET A 555 2.116 -23.331 10.662 1.00 11.11 C ATOM 1176 O MET A 555 2.804 -24.173 10.087 1.00 33.42 O ATOM 1177 CB MET A 555 2.375 -22.270 12.913 1.00 33.20 C ATOM 1178 CG MET A 555 2.528 -23.661 13.506 1.00 22.32 C ATOM 1179 SD MET A 555 4.236 -24.240 13.487 1.00 11.24 S ATOM 1180 CE MET A 555 4.042 -25.842 12.710 1.00 41.31 C ATOM 0 H MET A 555 1.869 -20.295 11.527 1.00 30.24 H new ATOM 0 HA MET A 555 3.848 -22.282 11.348 1.00 32.42 H new ATOM 0 HB2 MET A 555 2.989 -21.572 13.482 1.00 33.20 H new ATOM 0 HB3 MET A 555 1.340 -21.948 13.025 1.00 33.20 H new ATOM 0 HG2 MET A 555 2.161 -23.657 14.532 1.00 22.32 H new ATOM 0 HG3 MET A 555 1.905 -24.360 12.948 1.00 22.32 H new ATOM 0 HE1 MET A 555 4.863 -26.494 13.010 1.00 41.31 H new ATOM 0 HE2 MET A 555 3.095 -26.284 13.020 1.00 41.31 H new ATOM 0 HE3 MET A 555 4.050 -25.724 11.626 1.00 41.31 H new ATOM 1190 N ASN A 556 0.787 -23.353 10.652 1.00 0.52 N ATOM 1191 CA ASN A 556 0.045 -24.393 9.949 1.00 12.41 C ATOM 1192 C ASN A 556 -1.207 -23.818 9.292 1.00 22.14 C ATOM 1193 O ASN A 556 -2.315 -24.303 9.516 1.00 75.21 O ATOM 1194 CB ASN A 556 -0.342 -25.514 10.915 1.00 22.24 C ATOM 1195 CG ASN A 556 -0.492 -26.852 10.218 1.00 64.33 C ATOM 1196 OD1 ASN A 556 -0.412 -26.938 8.992 1.00 21.22 O ATOM 1197 ND2 ASN A 556 -0.710 -27.905 10.997 1.00 13.34 N ATOM 0 H ASN A 556 0.202 -22.663 11.123 1.00 0.52 H new ATOM 0 HA ASN A 556 0.689 -24.800 9.170 1.00 12.41 H new ATOM 0 HB2 ASN A 556 0.416 -25.596 11.694 1.00 22.24 H new ATOM 0 HB3 ASN A 556 -1.280 -25.257 11.408 1.00 22.24 H new ATOM 0 HD21 ASN A 556 -0.818 -28.831 10.584 1.00 13.34 H new ATOM 0 HD22 ASN A 556 -0.769 -27.788 12.009 1.00 13.34 H new ATOM 1204 N MET A 557 -1.020 -22.782 8.481 1.00 72.31 N ATOM 1205 CA MET A 557 -2.134 -22.143 7.790 1.00 10.10 C ATOM 1206 C MET A 557 -2.314 -22.727 6.393 1.00 74.24 C ATOM 1207 O MET A 557 -1.514 -23.549 5.946 1.00 34.15 O ATOM 1208 CB MET A 557 -1.906 -20.633 7.699 1.00 51.14 C ATOM 1209 CG MET A 557 -0.664 -20.252 6.909 1.00 73.42 C ATOM 1210 SD MET A 557 -1.013 -19.962 5.164 1.00 40.52 S ATOM 1211 CE MET A 557 0.132 -21.105 4.395 1.00 54.53 C ATOM 0 H MET A 557 -0.109 -22.367 8.286 1.00 72.31 H new ATOM 0 HA MET A 557 -3.042 -22.332 8.363 1.00 10.10 H new ATOM 0 HB2 MET A 557 -2.777 -20.170 7.236 1.00 51.14 H new ATOM 0 HB3 MET A 557 -1.825 -20.225 8.706 1.00 51.14 H new ATOM 0 HG2 MET A 557 -0.224 -19.353 7.342 1.00 73.42 H new ATOM 0 HG3 MET A 557 0.078 -21.046 7.000 1.00 73.42 H new ATOM 0 HE1 MET A 557 0.370 -20.760 3.389 1.00 54.53 H new ATOM 0 HE2 MET A 557 1.046 -21.157 4.986 1.00 54.53 H new ATOM 0 HE3 MET A 557 -0.322 -22.094 4.341 1.00 54.53 H new ATOM 1221 N GLN A 558 -3.370 -22.298 5.708 1.00 4.30 N ATOM 1222 CA GLN A 558 -3.654 -22.780 4.362 1.00 71.12 C ATOM 1223 C GLN A 558 -4.313 -21.691 3.521 1.00 24.12 C ATOM 1224 O GLN A 558 -5.292 -21.074 3.942 1.00 1.13 O ATOM 1225 CB GLN A 558 -4.558 -24.013 4.419 1.00 1.13 C ATOM 1226 CG GLN A 558 -4.165 -25.006 5.501 1.00 5.43 C ATOM 1227 CD GLN A 558 -4.839 -26.352 5.331 1.00 72.42 C ATOM 1228 OE1 GLN A 558 -5.906 -26.453 4.724 1.00 41.10 O ATOM 1229 NE2 GLN A 558 -4.219 -27.397 5.867 1.00 73.45 N ATOM 0 H GLN A 558 -4.042 -21.618 6.063 1.00 4.30 H new ATOM 0 HA GLN A 558 -2.708 -23.053 3.894 1.00 71.12 H new ATOM 0 HB2 GLN A 558 -5.586 -23.692 4.588 1.00 1.13 H new ATOM 0 HB3 GLN A 558 -4.536 -24.515 3.452 1.00 1.13 H new ATOM 0 HG2 GLN A 558 -3.084 -25.142 5.489 1.00 5.43 H new ATOM 0 HG3 GLN A 558 -4.424 -24.595 6.477 1.00 5.43 H new ATOM 0 HE21 GLN A 558 -3.336 -27.268 6.362 1.00 73.45 H new ATOM 0 HE22 GLN A 558 -4.625 -28.329 5.784 1.00 73.45 H new ATOM 1238 N LEU A 559 -3.769 -21.459 2.331 1.00 31.54 N ATOM 1239 CA LEU A 559 -4.304 -20.444 1.431 1.00 44.03 C ATOM 1240 C LEU A 559 -5.701 -20.823 0.950 1.00 21.15 C ATOM 1241 O LEU A 559 -5.887 -21.852 0.299 1.00 14.13 O ATOM 1242 CB LEU A 559 -3.373 -20.257 0.231 1.00 21.12 C ATOM 1243 CG LEU A 559 -3.777 -19.174 -0.769 1.00 42.34 C ATOM 1244 CD1 LEU A 559 -4.822 -19.705 -1.738 1.00 42.23 C ATOM 1245 CD2 LEU A 559 -4.298 -17.943 -0.042 1.00 31.24 C ATOM 0 H LEU A 559 -2.958 -21.960 1.968 1.00 31.54 H new ATOM 0 HA LEU A 559 -4.372 -19.506 1.981 1.00 44.03 H new ATOM 0 HB2 LEU A 559 -2.375 -20.026 0.603 1.00 21.12 H new ATOM 0 HB3 LEU A 559 -3.303 -21.206 -0.300 1.00 21.12 H new ATOM 0 HG LEU A 559 -2.894 -18.887 -1.340 1.00 42.34 H new ATOM 0 HD11 LEU A 559 -5.097 -18.920 -2.442 1.00 42.23 H new ATOM 0 HD12 LEU A 559 -4.413 -20.555 -2.284 1.00 42.23 H new ATOM 0 HD13 LEU A 559 -5.705 -20.021 -1.183 1.00 42.23 H new ATOM 0 HD21 LEU A 559 -4.581 -17.183 -0.770 1.00 31.24 H new ATOM 0 HD22 LEU A 559 -5.168 -18.214 0.556 1.00 31.24 H new ATOM 0 HD23 LEU A 559 -3.519 -17.549 0.610 1.00 31.24 H new ATOM 1257 N LEU A 560 -6.679 -19.985 1.274 1.00 75.01 N ATOM 1258 CA LEU A 560 -8.061 -20.231 0.874 1.00 44.44 C ATOM 1259 C LEU A 560 -8.547 -19.155 -0.093 1.00 21.43 C ATOM 1260 O LEU A 560 -9.410 -19.406 -0.933 1.00 12.33 O ATOM 1261 CB LEU A 560 -8.969 -20.275 2.104 1.00 63.21 C ATOM 1262 CG LEU A 560 -9.404 -18.922 2.666 1.00 12.50 C ATOM 1263 CD1 LEU A 560 -10.749 -18.511 2.088 1.00 75.24 C ATOM 1264 CD2 LEU A 560 -9.468 -18.971 4.186 1.00 45.43 C ATOM 0 H LEU A 560 -6.542 -19.130 1.812 1.00 75.01 H new ATOM 0 HA LEU A 560 -8.101 -21.195 0.367 1.00 44.44 H new ATOM 0 HB2 LEU A 560 -9.863 -20.845 1.851 1.00 63.21 H new ATOM 0 HB3 LEU A 560 -8.453 -20.824 2.892 1.00 63.21 H new ATOM 0 HG LEU A 560 -8.664 -18.176 2.377 1.00 12.50 H new ATOM 0 HD11 LEU A 560 -11.042 -17.545 2.500 1.00 75.24 H new ATOM 0 HD12 LEU A 560 -10.671 -18.434 1.004 1.00 75.24 H new ATOM 0 HD13 LEU A 560 -11.499 -19.258 2.346 1.00 75.24 H new ATOM 0 HD21 LEU A 560 -9.779 -17.999 4.569 1.00 45.43 H new ATOM 0 HD22 LEU A 560 -10.186 -19.730 4.496 1.00 45.43 H new ATOM 0 HD23 LEU A 560 -8.484 -19.219 4.584 1.00 45.43 H new ATOM 1276 N GLY A 561 -7.984 -17.957 0.031 1.00 15.14 N ATOM 1277 CA GLY A 561 -8.372 -16.862 -0.839 1.00 2.14 C ATOM 1278 C GLY A 561 -7.768 -16.981 -2.224 1.00 11.30 C ATOM 1279 O GLY A 561 -7.436 -18.078 -2.672 1.00 22.44 O ATOM 0 H GLY A 561 -7.267 -17.725 0.718 1.00 15.14 H new ATOM 0 HA2 GLY A 561 -9.459 -16.834 -0.921 1.00 2.14 H new ATOM 0 HA3 GLY A 561 -8.062 -15.918 -0.391 1.00 2.14 H new ATOM 1283 N ASP A 562 -7.627 -15.849 -2.905 1.00 53.01 N ATOM 1284 CA ASP A 562 -7.060 -15.831 -4.248 1.00 51.45 C ATOM 1285 C ASP A 562 -6.748 -14.403 -4.687 1.00 72.22 C ATOM 1286 O ASP A 562 -7.638 -13.555 -4.752 1.00 64.12 O ATOM 1287 CB ASP A 562 -8.024 -16.483 -5.241 1.00 25.41 C ATOM 1288 CG ASP A 562 -7.539 -16.376 -6.674 1.00 34.34 C ATOM 1289 OD1 ASP A 562 -6.685 -17.194 -7.073 1.00 61.13 O ATOM 1290 OD2 ASP A 562 -8.014 -15.474 -7.395 1.00 15.12 O ATOM 0 H ASP A 562 -7.898 -14.932 -2.549 1.00 53.01 H new ATOM 0 HA ASP A 562 -6.130 -16.399 -4.230 1.00 51.45 H new ATOM 0 HB2 ASP A 562 -8.153 -17.534 -4.982 1.00 25.41 H new ATOM 0 HB3 ASP A 562 -9.003 -16.011 -5.156 1.00 25.41 H new ATOM 1295 N ALA A 563 -5.479 -14.145 -4.986 1.00 72.31 N ATOM 1296 CA ALA A 563 -5.050 -12.821 -5.419 1.00 73.43 C ATOM 1297 C ALA A 563 -5.911 -12.315 -6.571 1.00 74.05 C ATOM 1298 O ALA A 563 -5.760 -12.755 -7.711 1.00 22.13 O ATOM 1299 CB ALA A 563 -3.584 -12.848 -5.826 1.00 33.24 C ATOM 0 H ALA A 563 -4.730 -14.836 -4.936 1.00 72.31 H new ATOM 0 HA ALA A 563 -5.170 -12.135 -4.581 1.00 73.43 H new ATOM 0 HB1 ALA A 563 -3.277 -11.853 -6.147 1.00 33.24 H new ATOM 0 HB2 ALA A 563 -2.976 -13.159 -4.976 1.00 33.24 H new ATOM 0 HB3 ALA A 563 -3.447 -13.552 -6.647 1.00 33.24 H new ATOM 1305 N GLN A 564 -6.815 -11.389 -6.267 1.00 3.05 N ATOM 1306 CA GLN A 564 -7.701 -10.825 -7.278 1.00 3.43 C ATOM 1307 C GLN A 564 -6.903 -10.278 -8.457 1.00 24.30 C ATOM 1308 O GLN A 564 -6.435 -9.139 -8.429 1.00 64.42 O ATOM 1309 CB GLN A 564 -8.560 -9.715 -6.671 1.00 15.45 C ATOM 1310 CG GLN A 564 -9.978 -9.674 -7.218 1.00 61.54 C ATOM 1311 CD GLN A 564 -10.898 -10.662 -6.529 1.00 14.14 C ATOM 1312 OE1 GLN A 564 -10.572 -11.841 -6.391 1.00 63.11 O ATOM 1313 NE2 GLN A 564 -12.057 -10.184 -6.090 1.00 73.40 N ATOM 0 H GLN A 564 -6.953 -11.014 -5.329 1.00 3.05 H new ATOM 0 HA GLN A 564 -8.351 -11.621 -7.640 1.00 3.43 H new ATOM 0 HB2 GLN A 564 -8.600 -9.848 -5.590 1.00 15.45 H new ATOM 0 HB3 GLN A 564 -8.080 -8.754 -6.856 1.00 15.45 H new ATOM 0 HG2 GLN A 564 -10.379 -8.667 -7.101 1.00 61.54 H new ATOM 0 HG3 GLN A 564 -9.957 -9.887 -8.287 1.00 61.54 H new ATOM 0 HE21 GLN A 564 -12.287 -9.200 -6.226 1.00 73.40 H new ATOM 0 HE22 GLN A 564 -12.717 -10.801 -5.617 1.00 73.40 H new