USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=12 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 Single : A 486 MET CE :methyl -121:sc= -1.24 (180deg=-8.15!) USER MOD Single : A 487 GLN : amide:sc= -5.98! C(o=-6!,f=-12!) USER MOD Single : A 489 TYR OH : rot 180:sc= 0 USER MOD Single : A 503 HIS : no HD1:sc= -1.9 X(o=-1.9,f=-1.8) USER MOD Single : A 510 ASN : amide:sc= 0 K(o=0,f=-0.69) 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) USER MOD Single : A 523 LYS NZ :NH3+ -161:sc= -0.032 (180deg=-0.254) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -2.04 K(o=-2,f=-4.6) USER MOD Single : A 529 SER OG : rot -89:sc= -0.42 USER MOD Single : A 530 THR OG1 : rot 180:sc= -0.447 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= -0.161 X(o=-0.16,f=-0.16) USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 546 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= -0.417 USER MOD Single : A 552 ASN : amide:sc= -3.44 K(o=-3.4,f=-2.4!) USER MOD Single : A 553 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0667) USER MOD Single : A 555 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 556 ASN : amide:sc= -0.0594 K(o=-0.059,f=-1.6!) USER MOD Single : A 557 MET CE :methyl 180:sc=-0.00498 (180deg=-0.00498) USER MOD Single : A 558 GLN : amide:sc= -0.0974 X(o=-0.097,f=-0.22) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD ----------------------------------------------------------------- ATOM 28 N ASP A 482 3.130 -4.291 -4.885 1.00 33.45 N ATOM 29 CA ASP A 482 3.832 -4.458 -6.152 1.00 55.50 C ATOM 30 C ASP A 482 2.878 -4.938 -7.242 1.00 44.51 C ATOM 31 O ASP A 482 3.020 -4.573 -8.410 1.00 32.35 O ATOM 32 CB ASP A 482 4.986 -5.448 -5.994 1.00 70.31 C ATOM 33 CG ASP A 482 6.247 -4.984 -6.696 1.00 61.41 C ATOM 34 OD1 ASP A 482 6.605 -5.584 -7.732 1.00 22.35 O ATOM 35 OD2 ASP A 482 6.876 -4.021 -6.211 1.00 14.04 O ATOM 0 HA ASP A 482 4.234 -3.489 -6.447 1.00 55.50 H new ATOM 0 HB2 ASP A 482 5.196 -5.591 -4.934 1.00 70.31 H new ATOM 0 HB3 ASP A 482 4.687 -6.417 -6.393 1.00 70.31 H new ATOM 40 N VAL A 483 1.908 -5.758 -6.853 1.00 73.21 N ATOM 41 CA VAL A 483 0.931 -6.288 -7.797 1.00 31.42 C ATOM 42 C VAL A 483 -0.477 -6.242 -7.214 1.00 72.15 C ATOM 43 O VAL A 483 -1.437 -5.910 -7.909 1.00 20.50 O ATOM 44 CB VAL A 483 1.263 -7.739 -8.193 1.00 24.32 C ATOM 45 CG1 VAL A 483 1.414 -8.610 -6.955 1.00 13.14 C ATOM 46 CG2 VAL A 483 0.194 -8.297 -9.120 1.00 14.43 C ATOM 0 H VAL A 483 1.777 -6.070 -5.891 1.00 73.21 H new ATOM 0 HA VAL A 483 0.975 -5.658 -8.685 1.00 31.42 H new ATOM 0 HB VAL A 483 2.213 -7.742 -8.728 1.00 24.32 H new ATOM 0 HG11 VAL A 483 1.648 -9.631 -7.255 1.00 13.14 H new ATOM 0 HG12 VAL A 483 2.220 -8.221 -6.332 1.00 13.14 H new ATOM 0 HG13 VAL A 483 0.482 -8.603 -6.389 1.00 13.14 H new ATOM 0 HG21 VAL A 483 0.445 -9.323 -9.389 1.00 14.43 H new ATOM 0 HG22 VAL A 483 -0.771 -8.281 -8.614 1.00 14.43 H new ATOM 0 HG23 VAL A 483 0.141 -7.688 -10.022 1.00 14.43 H new ATOM 56 N GLY A 484 -0.593 -6.577 -5.933 1.00 12.22 N ATOM 57 CA GLY A 484 -1.888 -6.567 -5.278 1.00 11.43 C ATOM 58 C GLY A 484 -2.232 -7.904 -4.652 1.00 51.15 C ATOM 59 O GLY A 484 -3.403 -8.275 -4.569 1.00 11.35 O ATOM 0 H GLY A 484 0.187 -6.855 -5.337 1.00 12.22 H new ATOM 0 HA2 GLY A 484 -1.896 -5.796 -4.508 1.00 11.43 H new ATOM 0 HA3 GLY A 484 -2.657 -6.301 -6.004 1.00 11.43 H new ATOM 63 N ASP A 485 -1.210 -8.631 -4.214 1.00 51.52 N ATOM 64 CA ASP A 485 -1.410 -9.935 -3.594 1.00 22.11 C ATOM 65 C ASP A 485 -2.301 -9.820 -2.361 1.00 2.11 C ATOM 66 O ASP A 485 -1.832 -9.482 -1.274 1.00 54.03 O ATOM 67 CB ASP A 485 -0.064 -10.553 -3.210 1.00 52.41 C ATOM 68 CG ASP A 485 -0.050 -12.060 -3.376 1.00 14.55 C ATOM 69 OD1 ASP A 485 -0.812 -12.742 -2.659 1.00 72.40 O ATOM 70 OD2 ASP A 485 0.722 -12.556 -4.222 1.00 55.11 O ATOM 0 H ASP A 485 -0.235 -8.339 -4.277 1.00 51.52 H new ATOM 0 HA ASP A 485 -1.905 -10.582 -4.318 1.00 22.11 H new ATOM 0 HB2 ASP A 485 0.722 -10.115 -3.825 1.00 52.41 H new ATOM 0 HB3 ASP A 485 0.165 -10.302 -2.174 1.00 52.41 H new ATOM 75 N MET A 486 -3.587 -10.102 -2.538 1.00 73.14 N ATOM 76 CA MET A 486 -4.544 -10.030 -1.440 1.00 24.12 C ATOM 77 C MET A 486 -5.339 -11.327 -1.325 1.00 41.34 C ATOM 78 O MET A 486 -6.040 -11.719 -2.258 1.00 12.44 O ATOM 79 CB MET A 486 -5.496 -8.850 -1.641 1.00 52.01 C ATOM 80 CG MET A 486 -6.647 -8.821 -0.648 1.00 25.22 C ATOM 81 SD MET A 486 -8.253 -9.027 -1.440 1.00 32.12 S ATOM 82 CE MET A 486 -8.675 -10.689 -0.922 1.00 72.24 C ATOM 0 H MET A 486 -3.991 -10.383 -3.432 1.00 73.14 H new ATOM 0 HA MET A 486 -3.987 -9.884 -0.515 1.00 24.12 H new ATOM 0 HB2 MET A 486 -4.932 -7.921 -1.558 1.00 52.01 H new ATOM 0 HB3 MET A 486 -5.901 -8.888 -2.652 1.00 52.01 H new ATOM 0 HG2 MET A 486 -6.506 -9.611 0.089 1.00 25.22 H new ATOM 0 HG3 MET A 486 -6.632 -7.875 -0.107 1.00 25.22 H new ATOM 0 HE1 MET A 486 -8.822 -11.318 -1.800 1.00 72.24 H new ATOM 0 HE2 MET A 486 -7.867 -11.097 -0.314 1.00 72.24 H new ATOM 0 HE3 MET A 486 -9.594 -10.665 -0.336 1.00 72.24 H new ATOM 92 N GLN A 487 -5.224 -11.987 -0.178 1.00 10.14 N ATOM 93 CA GLN A 487 -5.932 -13.240 0.057 1.00 51.14 C ATOM 94 C GLN A 487 -6.192 -13.449 1.545 1.00 45.41 C ATOM 95 O GLN A 487 -5.733 -12.669 2.381 1.00 20.02 O ATOM 96 CB GLN A 487 -5.130 -14.416 -0.503 1.00 41.12 C ATOM 97 CG GLN A 487 -4.813 -14.286 -1.984 1.00 71.03 C ATOM 98 CD GLN A 487 -4.144 -15.524 -2.549 1.00 12.13 C ATOM 99 OE1 GLN A 487 -4.747 -16.596 -2.610 1.00 40.24 O ATOM 100 NE2 GLN A 487 -2.891 -15.382 -2.965 1.00 32.41 N ATOM 0 H GLN A 487 -4.647 -11.675 0.604 1.00 10.14 H new ATOM 0 HA GLN A 487 -6.892 -13.187 -0.456 1.00 51.14 H new ATOM 0 HB2 GLN A 487 -4.197 -14.506 0.053 1.00 41.12 H new ATOM 0 HB3 GLN A 487 -5.689 -15.337 -0.339 1.00 41.12 H new ATOM 0 HG2 GLN A 487 -5.735 -14.093 -2.533 1.00 71.03 H new ATOM 0 HG3 GLN A 487 -4.164 -13.424 -2.138 1.00 71.03 H new ATOM 0 HE21 GLN A 487 -2.430 -14.475 -2.895 1.00 32.41 H new ATOM 0 HE22 GLN A 487 -2.389 -16.180 -3.354 1.00 32.41 H new ATOM 109 N LEU A 488 -6.929 -14.505 1.869 1.00 14.53 N ATOM 110 CA LEU A 488 -7.251 -14.816 3.258 1.00 65.22 C ATOM 111 C LEU A 488 -6.468 -16.034 3.738 1.00 63.24 C ATOM 112 O LEU A 488 -6.740 -17.162 3.325 1.00 41.22 O ATOM 113 CB LEU A 488 -8.752 -15.068 3.411 1.00 44.24 C ATOM 114 CG LEU A 488 -9.306 -14.977 4.833 1.00 52.54 C ATOM 115 CD1 LEU A 488 -9.045 -13.598 5.420 1.00 22.30 C ATOM 116 CD2 LEU A 488 -10.795 -15.290 4.846 1.00 72.25 C ATOM 0 H LEU A 488 -7.315 -15.161 1.190 1.00 14.53 H new ATOM 0 HA LEU A 488 -6.969 -13.960 3.871 1.00 65.22 H new ATOM 0 HB2 LEU A 488 -9.286 -14.351 2.788 1.00 44.24 H new ATOM 0 HB3 LEU A 488 -8.976 -16.060 3.018 1.00 44.24 H new ATOM 0 HG LEU A 488 -8.794 -15.715 5.450 1.00 52.54 H new ATOM 0 HD11 LEU A 488 -9.446 -13.552 6.432 1.00 22.30 H new ATOM 0 HD12 LEU A 488 -7.971 -13.411 5.446 1.00 22.30 H new ATOM 0 HD13 LEU A 488 -9.530 -12.842 4.803 1.00 22.30 H new ATOM 0 HD21 LEU A 488 -11.173 -15.221 5.866 1.00 72.25 H new ATOM 0 HD22 LEU A 488 -11.323 -14.575 4.214 1.00 72.25 H new ATOM 0 HD23 LEU A 488 -10.958 -16.299 4.467 1.00 72.25 H new ATOM 128 N TYR A 489 -5.496 -15.799 4.613 1.00 74.43 N ATOM 129 CA TYR A 489 -4.674 -16.877 5.149 1.00 62.20 C ATOM 130 C TYR A 489 -5.048 -17.179 6.597 1.00 71.52 C ATOM 131 O TYR A 489 -4.838 -16.357 7.488 1.00 15.15 O ATOM 132 CB TYR A 489 -3.192 -16.509 5.060 1.00 41.31 C ATOM 133 CG TYR A 489 -2.852 -15.651 3.862 1.00 70.43 C ATOM 134 CD1 TYR A 489 -2.962 -14.268 3.919 1.00 52.32 C ATOM 135 CD2 TYR A 489 -2.420 -16.226 2.672 1.00 3.44 C ATOM 136 CE1 TYR A 489 -2.654 -13.481 2.826 1.00 5.22 C ATOM 137 CE2 TYR A 489 -2.107 -15.446 1.575 1.00 33.42 C ATOM 138 CZ TYR A 489 -2.226 -14.075 1.657 1.00 53.31 C ATOM 139 OH TYR A 489 -1.916 -13.294 0.567 1.00 75.23 O ATOM 0 H TYR A 489 -5.258 -14.872 4.966 1.00 74.43 H new ATOM 0 HA TYR A 489 -4.857 -17.770 4.552 1.00 62.20 H new ATOM 0 HB2 TYR A 489 -2.902 -15.981 5.968 1.00 41.31 H new ATOM 0 HB3 TYR A 489 -2.601 -17.424 5.021 1.00 41.31 H new ATOM 0 HD1 TYR A 489 -3.294 -13.799 4.834 1.00 52.32 H new ATOM 0 HD2 TYR A 489 -2.328 -17.300 2.604 1.00 3.44 H new ATOM 0 HE1 TYR A 489 -2.748 -12.407 2.887 1.00 5.22 H new ATOM 0 HE2 TYR A 489 -1.771 -15.908 0.658 1.00 33.42 H new ATOM 0 HH TYR A 489 -1.630 -13.867 -0.175 1.00 75.23 H new ATOM 149 N ARG A 490 -5.603 -18.366 6.822 1.00 2.12 N ATOM 150 CA ARG A 490 -6.007 -18.778 8.161 1.00 74.22 C ATOM 151 C ARG A 490 -4.985 -19.735 8.767 1.00 74.50 C ATOM 152 O ARG A 490 -4.568 -20.701 8.126 1.00 13.31 O ATOM 153 CB ARG A 490 -7.384 -19.445 8.118 1.00 3.31 C ATOM 154 CG ARG A 490 -7.415 -20.726 7.300 1.00 10.45 C ATOM 155 CD ARG A 490 -7.312 -21.956 8.188 1.00 12.13 C ATOM 156 NE ARG A 490 -8.625 -22.437 8.611 1.00 4.24 N ATOM 157 CZ ARG A 490 -9.426 -23.162 7.839 1.00 41.53 C ATOM 158 NH1 ARG A 490 -9.050 -23.488 6.610 1.00 52.33 N ATOM 159 NH2 ARG A 490 -10.606 -23.562 8.295 1.00 23.12 N ATOM 0 H ARG A 490 -5.783 -19.058 6.095 1.00 2.12 H new ATOM 0 HA ARG A 490 -6.061 -17.888 8.788 1.00 74.22 H new ATOM 0 HB2 ARG A 490 -7.703 -19.666 9.136 1.00 3.31 H new ATOM 0 HB3 ARG A 490 -8.106 -18.742 7.704 1.00 3.31 H new ATOM 0 HG2 ARG A 490 -8.339 -20.769 6.723 1.00 10.45 H new ATOM 0 HG3 ARG A 490 -6.593 -20.722 6.585 1.00 10.45 H new ATOM 0 HD2 ARG A 490 -6.791 -22.749 7.651 1.00 12.13 H new ATOM 0 HD3 ARG A 490 -6.712 -21.720 9.067 1.00 12.13 H new ATOM 0 HE ARG A 490 -8.944 -22.203 9.551 1.00 4.24 H new ATOM 0 HH11 ARG A 490 -8.144 -23.182 6.256 1.00 52.33 H new ATOM 0 HH12 ARG A 490 -9.667 -24.045 6.019 1.00 52.33 H new ATOM 0 HH21 ARG A 490 -10.899 -23.313 9.240 1.00 23.12 H new ATOM 0 HH22 ARG A 490 -11.220 -24.119 7.701 1.00 23.12 H new ATOM 173 N ILE A 491 -4.586 -19.461 10.004 1.00 14.22 N ATOM 174 CA ILE A 491 -3.614 -20.298 10.696 1.00 12.33 C ATOM 175 C ILE A 491 -4.298 -21.219 11.701 1.00 40.11 C ATOM 176 O ILE A 491 -5.492 -21.086 11.966 1.00 11.23 O ATOM 177 CB ILE A 491 -2.561 -19.447 11.431 1.00 60.32 C ATOM 178 CG1 ILE A 491 -3.205 -18.693 12.596 1.00 21.52 C ATOM 179 CG2 ILE A 491 -1.898 -18.476 10.466 1.00 52.41 C ATOM 180 CD1 ILE A 491 -2.230 -17.837 13.374 1.00 55.22 C ATOM 0 H ILE A 491 -4.921 -18.666 10.548 1.00 14.22 H new ATOM 0 HA ILE A 491 -3.117 -20.900 9.935 1.00 12.33 H new ATOM 0 HB ILE A 491 -1.795 -20.110 11.832 1.00 60.32 H new ATOM 0 HG12 ILE A 491 -4.005 -18.060 12.211 1.00 21.52 H new ATOM 0 HG13 ILE A 491 -3.666 -19.412 13.273 1.00 21.52 H new ATOM 0 HG21 ILE A 491 -1.157 -17.882 11.000 1.00 52.41 H new ATOM 0 HG22 ILE A 491 -1.409 -19.034 9.667 1.00 52.41 H new ATOM 0 HG23 ILE A 491 -2.653 -17.816 10.038 1.00 52.41 H new ATOM 0 HD11 ILE A 491 -2.756 -17.332 14.184 1.00 55.22 H new ATOM 0 HD12 ILE A 491 -1.443 -18.467 13.789 1.00 55.22 H new ATOM 0 HD13 ILE A 491 -1.788 -17.094 12.710 1.00 55.22 H new ATOM 192 N GLU A 492 -3.532 -22.152 12.257 1.00 4.23 N ATOM 193 CA GLU A 492 -4.064 -23.095 13.234 1.00 53.51 C ATOM 194 C GLU A 492 -3.702 -22.669 14.654 1.00 33.41 C ATOM 195 O GLU A 492 -3.164 -23.457 15.432 1.00 72.41 O ATOM 196 CB GLU A 492 -3.532 -24.503 12.960 1.00 44.51 C ATOM 197 CG GLU A 492 -4.356 -25.602 13.608 1.00 72.02 C ATOM 198 CD GLU A 492 -5.538 -26.024 12.756 1.00 11.44 C ATOM 199 OE1 GLU A 492 -6.483 -26.626 13.308 1.00 43.30 O ATOM 200 OE2 GLU A 492 -5.518 -25.751 11.538 1.00 41.42 O ATOM 0 H GLU A 492 -2.541 -22.275 12.048 1.00 4.23 H new ATOM 0 HA GLU A 492 -5.150 -23.101 13.141 1.00 53.51 H new ATOM 0 HB2 GLU A 492 -3.504 -24.668 11.883 1.00 44.51 H new ATOM 0 HB3 GLU A 492 -2.505 -24.571 13.319 1.00 44.51 H new ATOM 0 HG2 GLU A 492 -3.719 -26.467 13.794 1.00 72.02 H new ATOM 0 HG3 GLU A 492 -4.716 -25.257 14.577 1.00 72.02 H new ATOM 207 N VAL A 493 -4.001 -21.417 14.985 1.00 72.11 N ATOM 208 CA VAL A 493 -3.708 -20.886 16.311 1.00 74.02 C ATOM 209 C VAL A 493 -4.802 -19.930 16.774 1.00 43.45 C ATOM 210 O VAL A 493 -5.318 -19.134 15.990 1.00 71.44 O ATOM 211 CB VAL A 493 -2.355 -20.151 16.335 1.00 61.32 C ATOM 212 CG1 VAL A 493 -1.914 -19.891 17.767 1.00 2.01 C ATOM 213 CG2 VAL A 493 -1.302 -20.950 15.581 1.00 53.32 C ATOM 0 H VAL A 493 -4.446 -20.751 14.353 1.00 72.11 H new ATOM 0 HA VAL A 493 -3.662 -21.737 16.990 1.00 74.02 H new ATOM 0 HB VAL A 493 -2.475 -19.189 15.837 1.00 61.32 H new ATOM 0 HG11 VAL A 493 -0.956 -19.371 17.764 1.00 2.01 H new ATOM 0 HG12 VAL A 493 -2.659 -19.276 18.271 1.00 2.01 H new ATOM 0 HG13 VAL A 493 -1.810 -20.840 18.294 1.00 2.01 H new ATOM 0 HG21 VAL A 493 -0.352 -20.416 15.608 1.00 53.32 H new ATOM 0 HG22 VAL A 493 -1.183 -21.927 16.049 1.00 53.32 H new ATOM 0 HG23 VAL A 493 -1.616 -21.080 14.545 1.00 53.32 H new ATOM 223 N GLY A 494 -5.150 -20.012 18.054 1.00 32.51 N ATOM 224 CA GLY A 494 -6.180 -19.148 18.600 1.00 74.30 C ATOM 225 C GLY A 494 -5.966 -18.847 20.070 1.00 64.20 C ATOM 226 O GLY A 494 -4.912 -19.156 20.626 1.00 24.11 O ATOM 0 H GLY A 494 -4.737 -20.662 18.723 1.00 32.51 H new ATOM 0 HA2 GLY A 494 -6.200 -18.213 18.040 1.00 74.30 H new ATOM 0 HA3 GLY A 494 -7.154 -19.620 18.467 1.00 74.30 H new ATOM 230 N ARG A 495 -6.966 -18.241 20.701 1.00 73.34 N ATOM 231 CA ARG A 495 -6.881 -17.896 22.114 1.00 3.44 C ATOM 232 C ARG A 495 -6.588 -19.132 22.960 1.00 44.25 C ATOM 233 O ARG A 495 -5.951 -19.042 24.010 1.00 53.54 O ATOM 234 CB ARG A 495 -8.183 -17.242 22.581 1.00 21.53 C ATOM 235 CG ARG A 495 -9.419 -18.083 22.305 1.00 40.44 C ATOM 236 CD ARG A 495 -10.644 -17.520 23.009 1.00 23.53 C ATOM 237 NE ARG A 495 -11.887 -18.033 22.439 1.00 24.22 N ATOM 238 CZ ARG A 495 -12.436 -17.559 21.326 1.00 5.35 C ATOM 239 NH1 ARG A 495 -11.854 -16.566 20.668 1.00 50.13 N ATOM 240 NH2 ARG A 495 -13.568 -18.078 20.870 1.00 13.24 N ATOM 0 H ARG A 495 -7.845 -17.979 20.255 1.00 73.34 H new ATOM 0 HA ARG A 495 -6.061 -17.189 22.240 1.00 3.44 H new ATOM 0 HB2 ARG A 495 -8.118 -17.047 23.651 1.00 21.53 H new ATOM 0 HB3 ARG A 495 -8.293 -16.277 22.087 1.00 21.53 H new ATOM 0 HG2 ARG A 495 -9.601 -18.123 21.231 1.00 40.44 H new ATOM 0 HG3 ARG A 495 -9.246 -19.107 22.637 1.00 40.44 H new ATOM 0 HD2 ARG A 495 -10.600 -17.771 24.069 1.00 23.53 H new ATOM 0 HD3 ARG A 495 -10.635 -16.432 22.939 1.00 23.53 H new ATOM 0 HE ARG A 495 -12.359 -18.797 22.922 1.00 24.22 H new ATOM 0 HH11 ARG A 495 -10.983 -16.165 21.016 1.00 50.13 H new ATOM 0 HH12 ARG A 495 -12.277 -16.203 19.814 1.00 50.13 H new ATOM 0 HH21 ARG A 495 -14.018 -18.842 21.374 1.00 13.24 H new ATOM 0 HH22 ARG A 495 -13.988 -17.713 20.015 1.00 13.24 H new ATOM 254 N ASP A 496 -7.056 -20.285 22.494 1.00 11.45 N ATOM 255 CA ASP A 496 -6.844 -21.539 23.207 1.00 71.22 C ATOM 256 C ASP A 496 -5.418 -22.043 23.007 1.00 31.22 C ATOM 257 O ASP A 496 -4.933 -22.880 23.768 1.00 22.43 O ATOM 258 CB ASP A 496 -7.843 -22.596 22.731 1.00 2.53 C ATOM 259 CG ASP A 496 -8.157 -23.620 23.804 1.00 40.30 C ATOM 260 OD1 ASP A 496 -7.252 -24.404 24.158 1.00 12.12 O ATOM 261 OD2 ASP A 496 -9.308 -23.638 24.289 1.00 40.33 O ATOM 0 H ASP A 496 -7.584 -20.377 21.626 1.00 11.45 H new ATOM 0 HA ASP A 496 -7.000 -21.355 24.270 1.00 71.22 H new ATOM 0 HB2 ASP A 496 -8.765 -22.106 22.419 1.00 2.53 H new ATOM 0 HB3 ASP A 496 -7.440 -23.104 21.855 1.00 2.53 H new ATOM 266 N ASP A 497 -4.753 -21.529 21.979 1.00 41.31 N ATOM 267 CA ASP A 497 -3.382 -21.926 21.679 1.00 74.42 C ATOM 268 C ASP A 497 -2.386 -20.957 22.306 1.00 45.54 C ATOM 269 O ASP A 497 -1.345 -21.366 22.820 1.00 55.41 O ATOM 270 CB ASP A 497 -3.167 -21.991 20.166 1.00 72.41 C ATOM 271 CG ASP A 497 -1.867 -22.677 19.795 1.00 42.20 C ATOM 272 OD1 ASP A 497 -0.797 -22.183 20.209 1.00 33.20 O ATOM 273 OD2 ASP A 497 -1.919 -23.707 19.090 1.00 44.51 O ATOM 0 H ASP A 497 -5.141 -20.836 21.339 1.00 41.31 H new ATOM 0 HA ASP A 497 -3.215 -22.915 22.105 1.00 74.42 H new ATOM 0 HB2 ASP A 497 -4.000 -22.524 19.706 1.00 72.41 H new ATOM 0 HB3 ASP A 497 -3.171 -20.980 19.758 1.00 72.41 H new ATOM 278 N GLY A 498 -2.711 -19.668 22.258 1.00 63.12 N ATOM 279 CA GLY A 498 -1.833 -18.660 22.823 1.00 32.13 C ATOM 280 C GLY A 498 -1.631 -17.480 21.894 1.00 62.15 C ATOM 281 O GLY A 498 -0.547 -16.898 21.844 1.00 71.10 O ATOM 0 H GLY A 498 -3.566 -19.304 21.838 1.00 63.12 H new ATOM 0 HA2 GLY A 498 -2.249 -18.308 23.767 1.00 32.13 H new ATOM 0 HA3 GLY A 498 -0.866 -19.110 23.049 1.00 32.13 H new ATOM 285 N VAL A 499 -2.676 -17.126 21.153 1.00 72.24 N ATOM 286 CA VAL A 499 -2.608 -16.008 20.219 1.00 34.32 C ATOM 287 C VAL A 499 -3.858 -15.140 20.310 1.00 74.24 C ATOM 288 O VAL A 499 -4.943 -15.629 20.623 1.00 54.13 O ATOM 289 CB VAL A 499 -2.440 -16.498 18.768 1.00 14.25 C ATOM 290 CG1 VAL A 499 -3.768 -16.994 18.215 1.00 4.11 C ATOM 291 CG2 VAL A 499 -1.870 -15.390 17.896 1.00 70.24 C ATOM 0 H VAL A 499 -3.580 -17.597 21.181 1.00 72.24 H new ATOM 0 HA VAL A 499 -1.737 -15.415 20.497 1.00 34.32 H new ATOM 0 HB VAL A 499 -1.738 -17.332 18.762 1.00 14.25 H new ATOM 0 HG11 VAL A 499 -3.630 -17.336 17.189 1.00 4.11 H new ATOM 0 HG12 VAL A 499 -4.131 -17.819 18.827 1.00 4.11 H new ATOM 0 HG13 VAL A 499 -4.495 -16.182 18.232 1.00 4.11 H new ATOM 0 HG21 VAL A 499 -1.758 -15.753 16.874 1.00 70.24 H new ATOM 0 HG22 VAL A 499 -2.546 -14.535 17.905 1.00 70.24 H new ATOM 0 HG23 VAL A 499 -0.897 -15.087 18.283 1.00 70.24 H new ATOM 301 N GLU A 500 -3.698 -13.850 20.033 1.00 44.04 N ATOM 302 CA GLU A 500 -4.814 -12.914 20.083 1.00 13.42 C ATOM 303 C GLU A 500 -4.928 -12.132 18.778 1.00 54.14 C ATOM 304 O GLU A 500 -4.222 -12.413 17.809 1.00 12.41 O ATOM 305 CB GLU A 500 -4.645 -11.946 21.256 1.00 23.25 C ATOM 306 CG GLU A 500 -4.154 -12.614 22.530 1.00 32.01 C ATOM 307 CD GLU A 500 -5.075 -13.724 22.999 1.00 52.41 C ATOM 308 OE1 GLU A 500 -6.309 -13.543 22.919 1.00 24.41 O ATOM 309 OE2 GLU A 500 -4.563 -14.771 23.446 1.00 75.34 O ATOM 0 H GLU A 500 -2.806 -13.430 19.772 1.00 44.04 H new ATOM 0 HA GLU A 500 -5.730 -13.489 20.224 1.00 13.42 H new ATOM 0 HB2 GLU A 500 -3.942 -11.163 20.972 1.00 23.25 H new ATOM 0 HB3 GLU A 500 -5.600 -11.460 21.455 1.00 23.25 H new ATOM 0 HG2 GLU A 500 -3.157 -13.021 22.361 1.00 32.01 H new ATOM 0 HG3 GLU A 500 -4.064 -11.865 23.317 1.00 32.01 H new ATOM 316 N VAL A 501 -5.824 -11.149 18.759 1.00 23.43 N ATOM 317 CA VAL A 501 -6.031 -10.326 17.574 1.00 71.20 C ATOM 318 C VAL A 501 -4.913 -9.302 17.414 1.00 54.21 C ATOM 319 O VAL A 501 -4.550 -8.934 16.297 1.00 62.13 O ATOM 320 CB VAL A 501 -7.383 -9.590 17.631 1.00 22.14 C ATOM 321 CG1 VAL A 501 -7.539 -8.665 16.434 1.00 64.11 C ATOM 322 CG2 VAL A 501 -8.530 -10.587 17.698 1.00 64.41 C ATOM 0 H VAL A 501 -6.418 -10.904 19.551 1.00 23.43 H new ATOM 0 HA VAL A 501 -6.028 -10.999 16.717 1.00 71.20 H new ATOM 0 HB VAL A 501 -7.407 -8.982 18.535 1.00 22.14 H new ATOM 0 HG11 VAL A 501 -8.500 -8.154 16.492 1.00 64.11 H new ATOM 0 HG12 VAL A 501 -6.736 -7.928 16.436 1.00 64.11 H new ATOM 0 HG13 VAL A 501 -7.493 -9.249 15.515 1.00 64.11 H new ATOM 0 HG21 VAL A 501 -9.477 -10.050 17.738 1.00 64.41 H new ATOM 0 HG22 VAL A 501 -8.511 -11.224 16.813 1.00 64.41 H new ATOM 0 HG23 VAL A 501 -8.425 -11.203 18.591 1.00 64.41 H new ATOM 332 N ARG A 502 -4.372 -8.845 18.538 1.00 3.32 N ATOM 333 CA ARG A 502 -3.295 -7.862 18.523 1.00 52.30 C ATOM 334 C ARG A 502 -1.934 -8.547 18.457 1.00 24.44 C ATOM 335 O ARG A 502 -0.896 -7.887 18.403 1.00 41.40 O ATOM 336 CB ARG A 502 -3.371 -6.972 19.765 1.00 3.01 C ATOM 337 CG ARG A 502 -3.374 -7.749 21.072 1.00 53.15 C ATOM 338 CD ARG A 502 -3.054 -6.850 22.255 1.00 12.33 C ATOM 339 NE ARG A 502 -4.238 -6.151 22.748 1.00 33.32 N ATOM 340 CZ ARG A 502 -4.249 -5.411 23.851 1.00 41.42 C ATOM 341 NH1 ARG A 502 -3.144 -5.272 24.571 1.00 35.31 N ATOM 342 NH2 ARG A 502 -5.366 -4.806 24.235 1.00 40.14 N ATOM 0 H ARG A 502 -4.661 -9.139 19.471 1.00 3.32 H new ATOM 0 HA ARG A 502 -3.414 -7.243 17.633 1.00 52.30 H new ATOM 0 HB2 ARG A 502 -2.524 -6.286 19.762 1.00 3.01 H new ATOM 0 HB3 ARG A 502 -4.274 -6.364 19.711 1.00 3.01 H new ATOM 0 HG2 ARG A 502 -4.350 -8.212 21.219 1.00 53.15 H new ATOM 0 HG3 ARG A 502 -2.643 -8.556 21.019 1.00 53.15 H new ATOM 0 HD2 ARG A 502 -2.625 -7.448 23.059 1.00 12.33 H new ATOM 0 HD3 ARG A 502 -2.298 -6.121 21.962 1.00 12.33 H new ATOM 0 HE ARG A 502 -5.104 -6.236 22.216 1.00 33.32 H new ATOM 0 HH11 ARG A 502 -2.283 -5.734 24.278 1.00 35.31 H new ATOM 0 HH12 ARG A 502 -3.155 -4.703 25.418 1.00 35.31 H new ATOM 0 HH21 ARG A 502 -6.217 -4.909 23.683 1.00 40.14 H new ATOM 0 HH22 ARG A 502 -5.373 -4.238 25.082 1.00 40.14 H new ATOM 356 N HIS A 503 -1.945 -9.877 18.463 1.00 13.35 N ATOM 357 CA HIS A 503 -0.711 -10.652 18.405 1.00 74.34 C ATOM 358 C HIS A 503 -0.245 -10.823 16.962 1.00 52.21 C ATOM 359 O HIS A 503 0.873 -10.443 16.612 1.00 55.22 O ATOM 360 CB HIS A 503 -0.914 -12.022 19.053 1.00 62.22 C ATOM 361 CG HIS A 503 0.326 -12.574 19.687 1.00 52.20 C ATOM 362 ND1 HIS A 503 0.300 -13.489 20.718 1.00 63.43 N ATOM 363 CD2 HIS A 503 1.633 -12.335 19.430 1.00 61.43 C ATOM 364 CE1 HIS A 503 1.538 -13.789 21.068 1.00 23.12 C ATOM 365 NE2 HIS A 503 2.366 -13.102 20.301 1.00 22.55 N ATOM 0 H HIS A 503 -2.795 -10.440 18.507 1.00 13.35 H new ATOM 0 HA HIS A 503 0.057 -10.108 18.955 1.00 74.34 H new ATOM 0 HB2 HIS A 503 -1.695 -11.945 19.809 1.00 62.22 H new ATOM 0 HB3 HIS A 503 -1.269 -12.723 18.298 1.00 62.22 H new ATOM 0 HD2 HIS A 503 2.026 -11.665 18.679 1.00 61.43 H new ATOM 0 HE1 HIS A 503 1.825 -14.478 21.848 1.00 23.12 H new ATOM 0 HE2 HIS A 503 3.384 -13.136 20.348 1.00 22.55 H new ATOM 373 N ILE A 504 -1.108 -11.397 16.130 1.00 11.24 N ATOM 374 CA ILE A 504 -0.784 -11.617 14.726 1.00 12.14 C ATOM 375 C ILE A 504 -0.730 -10.299 13.961 1.00 13.14 C ATOM 376 O ILE A 504 -0.050 -10.188 12.941 1.00 11.03 O ATOM 377 CB ILE A 504 -1.809 -12.548 14.051 1.00 10.35 C ATOM 378 CG1 ILE A 504 -3.093 -11.781 13.730 1.00 13.43 C ATOM 379 CG2 ILE A 504 -2.108 -13.742 14.945 1.00 74.22 C ATOM 380 CD1 ILE A 504 -3.905 -11.421 14.955 1.00 4.33 C ATOM 0 H ILE A 504 -2.037 -11.718 16.404 1.00 11.24 H new ATOM 0 HA ILE A 504 0.198 -12.090 14.699 1.00 12.14 H new ATOM 0 HB ILE A 504 -1.385 -12.915 13.117 1.00 10.35 H new ATOM 0 HG12 ILE A 504 -2.836 -10.868 13.193 1.00 13.43 H new ATOM 0 HG13 ILE A 504 -3.708 -12.382 13.060 1.00 13.43 H new ATOM 0 HG21 ILE A 504 -2.834 -14.391 14.455 1.00 74.22 H new ATOM 0 HG22 ILE A 504 -1.189 -14.299 15.128 1.00 74.22 H new ATOM 0 HG23 ILE A 504 -2.516 -13.393 15.894 1.00 74.22 H new ATOM 0 HD11 ILE A 504 -4.801 -10.879 14.651 1.00 4.33 H new ATOM 0 HD12 ILE A 504 -4.193 -12.331 15.481 1.00 4.33 H new ATOM 0 HD13 ILE A 504 -3.308 -10.793 15.616 1.00 4.33 H new ATOM 392 N VAL A 505 -1.451 -9.300 14.462 1.00 20.41 N ATOM 393 CA VAL A 505 -1.483 -7.988 13.828 1.00 53.10 C ATOM 394 C VAL A 505 -0.242 -7.176 14.181 1.00 62.44 C ATOM 395 O VAL A 505 0.502 -6.746 13.300 1.00 12.53 O ATOM 396 CB VAL A 505 -2.737 -7.195 14.243 1.00 4.31 C ATOM 397 CG1 VAL A 505 -2.641 -5.755 13.762 1.00 10.23 C ATOM 398 CG2 VAL A 505 -3.992 -7.863 13.704 1.00 34.22 C ATOM 0 H VAL A 505 -2.020 -9.375 15.305 1.00 20.41 H new ATOM 0 HA VAL A 505 -1.508 -8.157 12.752 1.00 53.10 H new ATOM 0 HB VAL A 505 -2.797 -7.186 15.331 1.00 4.31 H new ATOM 0 HG11 VAL A 505 -3.535 -5.210 14.064 1.00 10.23 H new ATOM 0 HG12 VAL A 505 -1.762 -5.282 14.201 1.00 10.23 H new ATOM 0 HG13 VAL A 505 -2.556 -5.739 12.675 1.00 10.23 H new ATOM 0 HG21 VAL A 505 -4.868 -7.289 14.007 1.00 34.22 H new ATOM 0 HG22 VAL A 505 -3.944 -7.904 12.616 1.00 34.22 H new ATOM 0 HG23 VAL A 505 -4.065 -8.875 14.103 1.00 34.22 H new ATOM 408 N GLY A 506 -0.023 -6.972 15.476 1.00 12.12 N ATOM 409 CA GLY A 506 1.130 -6.213 15.923 1.00 10.31 C ATOM 410 C GLY A 506 2.441 -6.853 15.512 1.00 73.23 C ATOM 411 O GLY A 506 3.476 -6.189 15.465 1.00 71.41 O ATOM 0 H GLY A 506 -0.624 -7.319 16.224 1.00 12.12 H new ATOM 0 HA2 GLY A 506 1.078 -5.204 15.514 1.00 10.31 H new ATOM 0 HA3 GLY A 506 1.100 -6.118 17.008 1.00 10.31 H new ATOM 415 N ALA A 507 2.397 -8.148 15.214 1.00 3.32 N ATOM 416 CA ALA A 507 3.590 -8.878 14.805 1.00 45.14 C ATOM 417 C ALA A 507 3.971 -8.545 13.366 1.00 74.43 C ATOM 418 O ALA A 507 5.066 -8.048 13.102 1.00 20.54 O ATOM 419 CB ALA A 507 3.373 -10.375 14.962 1.00 31.54 C ATOM 0 H ALA A 507 1.548 -8.712 15.248 1.00 3.32 H new ATOM 0 HA ALA A 507 4.412 -8.572 15.452 1.00 45.14 H new ATOM 0 HB1 ALA A 507 4.272 -10.907 14.653 1.00 31.54 H new ATOM 0 HB2 ALA A 507 3.157 -10.604 16.006 1.00 31.54 H new ATOM 0 HB3 ALA A 507 2.534 -10.688 14.340 1.00 31.54 H new ATOM 425 N ILE A 508 3.060 -8.823 12.439 1.00 71.11 N ATOM 426 CA ILE A 508 3.301 -8.553 11.027 1.00 54.21 C ATOM 427 C ILE A 508 3.378 -7.053 10.760 1.00 75.43 C ATOM 428 O ILE A 508 4.080 -6.610 9.852 1.00 2.31 O ATOM 429 CB ILE A 508 2.200 -9.165 10.141 1.00 53.02 C ATOM 430 CG1 ILE A 508 0.844 -8.536 10.467 1.00 54.33 C ATOM 431 CG2 ILE A 508 2.148 -10.674 10.327 1.00 30.02 C ATOM 432 CD1 ILE A 508 0.513 -7.335 9.608 1.00 75.31 C ATOM 0 H ILE A 508 2.149 -9.235 12.640 1.00 71.11 H new ATOM 0 HA ILE A 508 4.256 -9.014 10.776 1.00 54.21 H new ATOM 0 HB ILE A 508 2.436 -8.955 9.098 1.00 53.02 H new ATOM 0 HG12 ILE A 508 0.064 -9.288 10.342 1.00 54.33 H new ATOM 0 HG13 ILE A 508 0.834 -8.237 11.515 1.00 54.33 H new ATOM 0 HG21 ILE A 508 1.365 -11.092 9.694 1.00 30.02 H new ATOM 0 HG22 ILE A 508 3.109 -11.108 10.050 1.00 30.02 H new ATOM 0 HG23 ILE A 508 1.933 -10.905 11.370 1.00 30.02 H new ATOM 0 HD11 ILE A 508 -0.462 -6.941 9.894 1.00 75.31 H new ATOM 0 HD12 ILE A 508 1.272 -6.566 9.750 1.00 75.31 H new ATOM 0 HD13 ILE A 508 0.490 -7.633 8.560 1.00 75.31 H new ATOM 444 N ALA A 509 2.651 -6.278 11.558 1.00 41.34 N ATOM 445 CA ALA A 509 2.640 -4.828 11.410 1.00 11.40 C ATOM 446 C ALA A 509 3.971 -4.221 11.843 1.00 75.41 C ATOM 447 O ALA A 509 4.353 -3.147 11.382 1.00 13.33 O ATOM 448 CB ALA A 509 1.497 -4.224 12.213 1.00 72.24 C ATOM 0 H ALA A 509 2.062 -6.630 12.313 1.00 41.34 H new ATOM 0 HA ALA A 509 2.491 -4.597 10.355 1.00 11.40 H new ATOM 0 HB1 ALA A 509 1.501 -3.141 12.093 1.00 72.24 H new ATOM 0 HB2 ALA A 509 0.549 -4.625 11.855 1.00 72.24 H new ATOM 0 HB3 ALA A 509 1.621 -4.473 13.267 1.00 72.24 H new ATOM 454 N ASN A 510 4.671 -4.918 12.732 1.00 45.11 N ATOM 455 CA ASN A 510 5.959 -4.447 13.228 1.00 5.10 C ATOM 456 C ASN A 510 7.107 -5.065 12.435 1.00 30.43 C ATOM 457 O ASN A 510 8.198 -4.501 12.361 1.00 13.33 O ATOM 458 CB ASN A 510 6.111 -4.783 14.713 1.00 42.10 C ATOM 459 CG ASN A 510 7.346 -4.150 15.326 1.00 70.54 C ATOM 460 OD1 ASN A 510 7.739 -3.044 14.956 1.00 54.22 O ATOM 461 ND2 ASN A 510 7.965 -4.853 16.267 1.00 12.25 N ATOM 0 H ASN A 510 4.368 -5.810 13.123 1.00 45.11 H new ATOM 0 HA ASN A 510 5.995 -3.365 13.102 1.00 5.10 H new ATOM 0 HB2 ASN A 510 5.227 -4.443 15.252 1.00 42.10 H new ATOM 0 HB3 ASN A 510 6.162 -5.865 14.834 1.00 42.10 H new ATOM 0 HD21 ASN A 510 8.802 -4.480 16.715 1.00 12.25 H new ATOM 0 HD22 ASN A 510 7.603 -5.766 16.542 1.00 12.25 H new ATOM 468 N GLU A 511 6.851 -6.228 11.844 1.00 25.53 N ATOM 469 CA GLU A 511 7.864 -6.923 11.057 1.00 34.24 C ATOM 470 C GLU A 511 8.210 -6.134 9.798 1.00 72.21 C ATOM 471 O GLU A 511 9.375 -6.031 9.418 1.00 42.41 O ATOM 472 CB GLU A 511 7.374 -8.322 10.678 1.00 64.44 C ATOM 473 CG GLU A 511 7.614 -9.365 11.757 1.00 44.14 C ATOM 474 CD GLU A 511 9.085 -9.541 12.081 1.00 62.13 C ATOM 475 OE1 GLU A 511 9.729 -10.413 11.459 1.00 13.42 O ATOM 476 OE2 GLU A 511 9.593 -8.808 12.955 1.00 34.43 O ATOM 0 H GLU A 511 5.953 -6.708 11.895 1.00 25.53 H new ATOM 0 HA GLU A 511 8.763 -7.013 11.666 1.00 34.24 H new ATOM 0 HB2 GLU A 511 6.307 -8.277 10.459 1.00 64.44 H new ATOM 0 HB3 GLU A 511 7.874 -8.637 9.762 1.00 64.44 H new ATOM 0 HG2 GLU A 511 7.079 -9.077 12.662 1.00 44.14 H new ATOM 0 HG3 GLU A 511 7.200 -10.320 11.433 1.00 44.14 H new ATOM 483 N GLY A 512 7.187 -5.580 9.154 1.00 0.41 N ATOM 484 CA GLY A 512 7.403 -4.808 7.944 1.00 12.12 C ATOM 485 C GLY A 512 6.798 -3.420 8.026 1.00 24.22 C ATOM 486 O GLY A 512 6.766 -2.812 9.096 1.00 21.11 O ATOM 0 H GLY A 512 6.213 -5.652 9.448 1.00 0.41 H new ATOM 0 HA2 GLY A 512 8.473 -4.724 7.757 1.00 12.12 H new ATOM 0 HA3 GLY A 512 6.972 -5.339 7.096 1.00 12.12 H new ATOM 490 N ASP A 513 6.320 -2.917 6.894 1.00 60.35 N ATOM 491 CA ASP A 513 5.714 -1.592 6.841 1.00 3.32 C ATOM 492 C ASP A 513 4.218 -1.666 7.129 1.00 21.21 C ATOM 493 O ASP A 513 3.574 -0.648 7.385 1.00 60.31 O ATOM 494 CB ASP A 513 5.952 -0.953 5.472 1.00 13.20 C ATOM 495 CG ASP A 513 7.248 -0.169 5.416 1.00 62.02 C ATOM 496 OD1 ASP A 513 7.263 0.910 4.787 1.00 13.21 O ATOM 497 OD2 ASP A 513 8.248 -0.634 6.001 1.00 21.31 O ATOM 0 H ASP A 513 6.340 -3.407 6.000 1.00 60.35 H new ATOM 0 HA ASP A 513 6.183 -0.975 7.607 1.00 3.32 H new ATOM 0 HB2 ASP A 513 5.968 -1.731 4.709 1.00 13.20 H new ATOM 0 HB3 ASP A 513 5.120 -0.291 5.234 1.00 13.20 H new ATOM 502 N ILE A 514 3.672 -2.877 7.084 1.00 12.45 N ATOM 503 CA ILE A 514 2.252 -3.083 7.340 1.00 32.15 C ATOM 504 C ILE A 514 1.828 -2.427 8.650 1.00 22.23 C ATOM 505 O ILE A 514 2.579 -2.424 9.626 1.00 51.41 O ATOM 506 CB ILE A 514 1.901 -4.582 7.393 1.00 4.11 C ATOM 507 CG1 ILE A 514 2.274 -5.262 6.074 1.00 1.30 C ATOM 508 CG2 ILE A 514 0.422 -4.770 7.692 1.00 14.35 C ATOM 509 CD1 ILE A 514 2.472 -6.756 6.199 1.00 23.13 C ATOM 0 H ILE A 514 4.191 -3.729 6.873 1.00 12.45 H new ATOM 0 HA ILE A 514 1.713 -2.620 6.513 1.00 32.15 H new ATOM 0 HB ILE A 514 2.475 -5.046 8.195 1.00 4.11 H new ATOM 0 HG12 ILE A 514 1.492 -5.068 5.340 1.00 1.30 H new ATOM 0 HG13 ILE A 514 3.190 -4.813 5.690 1.00 1.30 H new ATOM 0 HG21 ILE A 514 0.190 -5.835 7.726 1.00 14.35 H new ATOM 0 HG22 ILE A 514 0.185 -4.316 8.654 1.00 14.35 H new ATOM 0 HG23 ILE A 514 -0.171 -4.294 6.910 1.00 14.35 H new ATOM 0 HD11 ILE A 514 2.734 -7.171 5.226 1.00 23.13 H new ATOM 0 HD12 ILE A 514 3.275 -6.959 6.908 1.00 23.13 H new ATOM 0 HD13 ILE A 514 1.550 -7.217 6.553 1.00 23.13 H new ATOM 521 N SER A 515 0.620 -1.874 8.665 1.00 34.22 N ATOM 522 CA SER A 515 0.096 -1.213 9.855 1.00 60.21 C ATOM 523 C SER A 515 -1.160 -1.917 10.359 1.00 73.11 C ATOM 524 O SER A 515 -1.753 -2.733 9.653 1.00 15.13 O ATOM 525 CB SER A 515 -0.214 0.254 9.554 1.00 1.40 C ATOM 526 OG SER A 515 -0.047 1.058 10.709 1.00 13.03 O ATOM 0 H SER A 515 -0.015 -1.870 7.867 1.00 34.22 H new ATOM 0 HA SER A 515 0.857 -1.264 10.634 1.00 60.21 H new ATOM 0 HB2 SER A 515 0.441 0.612 8.760 1.00 1.40 H new ATOM 0 HB3 SER A 515 -1.237 0.345 9.188 1.00 1.40 H new ATOM 0 HG SER A 515 -0.249 1.991 10.490 1.00 13.03 H new ATOM 532 N SER A 516 -1.560 -1.595 11.585 1.00 22.00 N ATOM 533 CA SER A 516 -2.743 -2.198 12.187 1.00 72.55 C ATOM 534 C SER A 516 -3.997 -1.844 11.392 1.00 21.53 C ATOM 535 O SER A 516 -4.990 -2.572 11.422 1.00 65.15 O ATOM 536 CB SER A 516 -2.897 -1.735 13.637 1.00 63.44 C ATOM 537 OG SER A 516 -2.009 -2.434 14.492 1.00 60.42 O ATOM 0 H SER A 516 -1.082 -0.919 12.181 1.00 22.00 H new ATOM 0 HA SER A 516 -2.617 -3.281 12.171 1.00 72.55 H new ATOM 0 HB2 SER A 516 -2.703 -0.664 13.703 1.00 63.44 H new ATOM 0 HB3 SER A 516 -3.924 -1.894 13.966 1.00 63.44 H new ATOM 0 HG SER A 516 -2.125 -2.119 15.413 1.00 60.42 H new ATOM 543 N ARG A 517 -3.943 -0.722 10.683 1.00 11.44 N ATOM 544 CA ARG A 517 -5.074 -0.269 9.882 1.00 62.21 C ATOM 545 C ARG A 517 -4.961 -0.777 8.447 1.00 2.33 C ATOM 546 O ARG A 517 -5.965 -1.095 7.810 1.00 41.33 O ATOM 547 CB ARG A 517 -5.153 1.259 9.889 1.00 24.51 C ATOM 548 CG ARG A 517 -3.997 1.931 9.166 1.00 12.42 C ATOM 549 CD ARG A 517 -4.145 3.445 9.168 1.00 25.11 C ATOM 550 NE ARG A 517 -5.474 3.866 8.733 1.00 23.05 N ATOM 551 CZ ARG A 517 -5.855 3.899 7.461 1.00 5.53 C ATOM 552 NH1 ARG A 517 -5.012 3.538 6.504 1.00 44.32 N ATOM 553 NH2 ARG A 517 -7.081 4.294 7.145 1.00 51.41 N ATOM 0 H ARG A 517 -3.128 -0.110 10.647 1.00 11.44 H new ATOM 0 HA ARG A 517 -5.985 -0.674 10.323 1.00 62.21 H new ATOM 0 HB2 ARG A 517 -6.090 1.568 9.425 1.00 24.51 H new ATOM 0 HB3 ARG A 517 -5.178 1.609 10.921 1.00 24.51 H new ATOM 0 HG2 ARG A 517 -3.057 1.655 9.644 1.00 12.42 H new ATOM 0 HG3 ARG A 517 -3.949 1.570 8.139 1.00 12.42 H new ATOM 0 HD2 ARG A 517 -3.954 3.826 10.171 1.00 25.11 H new ATOM 0 HD3 ARG A 517 -3.393 3.884 8.512 1.00 25.11 H new ATOM 0 HE ARG A 517 -6.147 4.150 9.445 1.00 23.05 H new ATOM 0 HH11 ARG A 517 -4.068 3.234 6.744 1.00 44.32 H new ATOM 0 HH12 ARG A 517 -5.307 3.564 5.528 1.00 44.32 H new ATOM 0 HH21 ARG A 517 -7.732 4.573 7.879 1.00 51.41 H new ATOM 0 HH22 ARG A 517 -7.373 4.319 6.168 1.00 51.41 H new ATOM 567 N TYR A 518 -3.733 -0.849 7.946 1.00 21.00 N ATOM 568 CA TYR A 518 -3.489 -1.315 6.586 1.00 3.31 C ATOM 569 C TYR A 518 -4.011 -2.736 6.395 1.00 44.52 C ATOM 570 O TYR A 518 -4.533 -3.079 5.334 1.00 60.11 O ATOM 571 CB TYR A 518 -1.994 -1.261 6.267 1.00 63.40 C ATOM 572 CG TYR A 518 -1.679 -0.586 4.951 1.00 31.12 C ATOM 573 CD1 TYR A 518 -2.381 -0.910 3.796 1.00 21.25 C ATOM 574 CD2 TYR A 518 -0.680 0.375 4.862 1.00 2.03 C ATOM 575 CE1 TYR A 518 -2.097 -0.296 2.592 1.00 64.41 C ATOM 576 CE2 TYR A 518 -0.390 0.995 3.662 1.00 22.04 C ATOM 577 CZ TYR A 518 -1.101 0.656 2.530 1.00 24.31 C ATOM 578 OH TYR A 518 -0.814 1.270 1.333 1.00 63.04 O ATOM 0 H TYR A 518 -2.891 -0.591 8.461 1.00 21.00 H new ATOM 0 HA TYR A 518 -4.024 -0.656 5.902 1.00 3.31 H new ATOM 0 HB2 TYR A 518 -1.479 -0.732 7.069 1.00 63.40 H new ATOM 0 HB3 TYR A 518 -1.598 -2.276 6.249 1.00 63.40 H new ATOM 0 HD1 TYR A 518 -3.162 -1.655 3.841 1.00 21.25 H new ATOM 0 HD2 TYR A 518 -0.120 0.642 5.746 1.00 2.03 H new ATOM 0 HE1 TYR A 518 -2.652 -0.560 1.704 1.00 64.41 H new ATOM 0 HE2 TYR A 518 0.389 1.741 3.611 1.00 22.04 H new ATOM 0 HH TYR A 518 -0.088 1.915 1.462 1.00 63.04 H new ATOM 588 N ILE A 519 -3.866 -3.556 7.430 1.00 64.34 N ATOM 589 CA ILE A 519 -4.323 -4.939 7.377 1.00 34.12 C ATOM 590 C ILE A 519 -5.819 -5.013 7.087 1.00 44.50 C ATOM 591 O ILE A 519 -6.593 -4.175 7.547 1.00 1.34 O ATOM 592 CB ILE A 519 -4.031 -5.679 8.696 1.00 61.33 C ATOM 593 CG1 ILE A 519 -2.529 -5.674 8.987 1.00 43.23 C ATOM 594 CG2 ILE A 519 -4.558 -7.105 8.631 1.00 12.11 C ATOM 595 CD1 ILE A 519 -2.198 -5.492 10.451 1.00 24.14 C ATOM 0 H ILE A 519 -3.436 -3.287 8.315 1.00 64.34 H new ATOM 0 HA ILE A 519 -3.774 -5.422 6.569 1.00 34.12 H new ATOM 0 HB ILE A 519 -4.541 -5.160 9.507 1.00 61.33 H new ATOM 0 HG12 ILE A 519 -2.097 -6.612 8.639 1.00 43.23 H new ATOM 0 HG13 ILE A 519 -2.059 -4.874 8.414 1.00 43.23 H new ATOM 0 HG21 ILE A 519 -4.344 -7.615 9.570 1.00 12.11 H new ATOM 0 HG22 ILE A 519 -5.635 -7.088 8.465 1.00 12.11 H new ATOM 0 HG23 ILE A 519 -4.073 -7.635 7.812 1.00 12.11 H new ATOM 0 HD11 ILE A 519 -1.116 -5.498 10.583 1.00 24.14 H new ATOM 0 HD12 ILE A 519 -2.600 -4.541 10.799 1.00 24.14 H new ATOM 0 HD13 ILE A 519 -2.639 -6.305 11.028 1.00 24.14 H new ATOM 607 N GLY A 520 -6.218 -6.023 6.321 1.00 55.13 N ATOM 608 CA GLY A 520 -7.620 -6.189 5.983 1.00 12.34 C ATOM 609 C GLY A 520 -8.435 -6.730 7.141 1.00 11.23 C ATOM 610 O GLY A 520 -8.465 -6.136 8.218 1.00 33.44 O ATOM 0 H GLY A 520 -5.596 -6.729 5.928 1.00 55.13 H new ATOM 0 HA2 GLY A 520 -8.031 -5.229 5.670 1.00 12.34 H new ATOM 0 HA3 GLY A 520 -7.708 -6.866 5.133 1.00 12.34 H new ATOM 614 N ASN A 521 -9.099 -7.859 6.919 1.00 71.53 N ATOM 615 CA ASN A 521 -9.920 -8.480 7.952 1.00 15.50 C ATOM 616 C ASN A 521 -9.125 -9.530 8.721 1.00 35.32 C ATOM 617 O ASN A 521 -8.527 -10.428 8.127 1.00 34.14 O ATOM 618 CB ASN A 521 -11.163 -9.119 7.330 1.00 53.25 C ATOM 619 CG ASN A 521 -12.084 -8.095 6.695 1.00 41.54 C ATOM 620 OD1 ASN A 521 -12.756 -7.333 7.390 1.00 54.33 O ATOM 621 ND2 ASN A 521 -12.118 -8.072 5.367 1.00 31.33 N ATOM 0 H ASN A 521 -9.085 -8.363 6.032 1.00 71.53 H new ATOM 0 HA ASN A 521 -10.231 -7.702 8.650 1.00 15.50 H new ATOM 0 HB2 ASN A 521 -10.857 -9.845 6.576 1.00 53.25 H new ATOM 0 HB3 ASN A 521 -11.709 -9.668 8.098 1.00 53.25 H new ATOM 0 HD21 ASN A 521 -12.718 -7.404 4.884 1.00 31.33 H new ATOM 0 HD22 ASN A 521 -11.544 -8.722 4.831 1.00 31.33 H new ATOM 628 N ILE A 522 -9.124 -9.412 10.045 1.00 54.24 N ATOM 629 CA ILE A 522 -8.405 -10.352 10.895 1.00 62.14 C ATOM 630 C ILE A 522 -9.356 -11.077 11.841 1.00 50.13 C ATOM 631 O ILE A 522 -10.160 -10.450 12.531 1.00 33.40 O ATOM 632 CB ILE A 522 -7.316 -9.643 11.722 1.00 34.45 C ATOM 633 CG1 ILE A 522 -6.452 -8.761 10.820 1.00 40.13 C ATOM 634 CG2 ILE A 522 -6.458 -10.665 12.453 1.00 3.22 C ATOM 635 CD1 ILE A 522 -6.680 -7.280 11.025 1.00 53.21 C ATOM 0 H ILE A 522 -9.613 -8.674 10.552 1.00 54.24 H new ATOM 0 HA ILE A 522 -7.932 -11.078 10.234 1.00 62.14 H new ATOM 0 HB ILE A 522 -7.800 -9.007 12.463 1.00 34.45 H new ATOM 0 HG12 ILE A 522 -5.402 -8.987 11.003 1.00 40.13 H new ATOM 0 HG13 ILE A 522 -6.655 -9.011 9.779 1.00 40.13 H new ATOM 0 HG21 ILE A 522 -5.693 -10.149 13.033 1.00 3.22 H new ATOM 0 HG22 ILE A 522 -7.085 -11.254 13.122 1.00 3.22 H new ATOM 0 HG23 ILE A 522 -5.981 -11.324 11.728 1.00 3.22 H new ATOM 0 HD11 ILE A 522 -6.034 -6.716 10.352 1.00 53.21 H new ATOM 0 HD12 ILE A 522 -7.722 -7.040 10.814 1.00 53.21 H new ATOM 0 HD13 ILE A 522 -6.449 -7.016 12.057 1.00 53.21 H new ATOM 647 N LYS A 523 -9.258 -12.402 11.869 1.00 2.32 N ATOM 648 CA LYS A 523 -10.107 -13.214 12.733 1.00 43.13 C ATOM 649 C LYS A 523 -9.293 -13.846 13.857 1.00 4.23 C ATOM 650 O LYS A 523 -8.080 -14.025 13.735 1.00 71.13 O ATOM 651 CB LYS A 523 -10.803 -14.306 11.917 1.00 1.31 C ATOM 652 CG LYS A 523 -12.026 -14.890 12.602 1.00 14.30 C ATOM 653 CD LYS A 523 -12.804 -15.804 11.670 1.00 52.50 C ATOM 654 CE LYS A 523 -13.806 -15.023 10.833 1.00 73.51 C ATOM 655 NZ LYS A 523 -14.940 -14.516 11.655 1.00 45.32 N ATOM 0 H LYS A 523 -8.599 -12.936 11.303 1.00 2.32 H new ATOM 0 HA LYS A 523 -10.861 -12.563 13.176 1.00 43.13 H new ATOM 0 HB2 LYS A 523 -11.099 -13.894 10.952 1.00 1.31 H new ATOM 0 HB3 LYS A 523 -10.092 -15.107 11.717 1.00 1.31 H new ATOM 0 HG2 LYS A 523 -11.717 -15.448 13.486 1.00 14.30 H new ATOM 0 HG3 LYS A 523 -12.673 -14.082 12.945 1.00 14.30 H new ATOM 0 HD2 LYS A 523 -12.112 -16.331 11.013 1.00 52.50 H new ATOM 0 HD3 LYS A 523 -13.328 -16.561 12.254 1.00 52.50 H new ATOM 0 HE2 LYS A 523 -13.302 -14.184 10.353 1.00 73.51 H new ATOM 0 HE3 LYS A 523 -14.191 -15.662 10.038 1.00 73.51 H new ATOM 0 HZ1 LYS A 523 -15.741 -14.281 11.034 1.00 45.32 H new ATOM 0 HZ2 LYS A 523 -15.231 -15.248 12.334 1.00 45.32 H new ATOM 0 HZ3 LYS A 523 -14.641 -13.664 12.172 1.00 45.32 H new ATOM 669 N LEU A 524 -9.966 -14.183 14.952 1.00 50.24 N ATOM 670 CA LEU A 524 -9.305 -14.797 16.098 1.00 11.20 C ATOM 671 C LEU A 524 -10.219 -15.815 16.772 1.00 22.24 C ATOM 672 O LEU A 524 -11.009 -15.470 17.651 1.00 2.23 O ATOM 673 CB LEU A 524 -8.887 -13.724 17.105 1.00 22.23 C ATOM 674 CG LEU A 524 -7.885 -14.162 18.174 1.00 0.34 C ATOM 675 CD1 LEU A 524 -8.558 -15.058 19.202 1.00 73.10 C ATOM 676 CD2 LEU A 524 -6.701 -14.874 17.536 1.00 32.15 C ATOM 0 H LEU A 524 -10.969 -14.041 15.070 1.00 50.24 H new ATOM 0 HA LEU A 524 -8.416 -15.316 15.739 1.00 11.20 H new ATOM 0 HB2 LEU A 524 -8.459 -12.886 16.556 1.00 22.23 H new ATOM 0 HB3 LEU A 524 -9.782 -13.354 17.604 1.00 22.23 H new ATOM 0 HG LEU A 524 -7.516 -13.272 18.684 1.00 0.34 H new ATOM 0 HD11 LEU A 524 -7.829 -15.360 19.954 1.00 73.10 H new ATOM 0 HD12 LEU A 524 -9.371 -14.514 19.682 1.00 73.10 H new ATOM 0 HD13 LEU A 524 -8.956 -15.944 18.707 1.00 73.10 H new ATOM 0 HD21 LEU A 524 -5.998 -15.178 18.312 1.00 32.15 H new ATOM 0 HD22 LEU A 524 -7.053 -15.755 16.999 1.00 32.15 H new ATOM 0 HD23 LEU A 524 -6.203 -14.199 16.840 1.00 32.15 H new ATOM 688 N PHE A 525 -10.104 -17.072 16.356 1.00 30.15 N ATOM 689 CA PHE A 525 -10.919 -18.142 16.921 1.00 1.41 C ATOM 690 C PHE A 525 -10.214 -18.794 18.107 1.00 53.10 C ATOM 691 O PHE A 525 -9.223 -18.273 18.617 1.00 11.31 O ATOM 692 CB PHE A 525 -11.227 -19.194 15.854 1.00 21.33 C ATOM 693 CG PHE A 525 -12.666 -19.623 15.833 1.00 32.11 C ATOM 694 CD1 PHE A 525 -13.017 -20.933 16.116 1.00 63.42 C ATOM 695 CD2 PHE A 525 -13.669 -18.716 15.530 1.00 4.21 C ATOM 696 CE1 PHE A 525 -14.340 -21.331 16.098 1.00 73.34 C ATOM 697 CE2 PHE A 525 -14.994 -19.108 15.511 1.00 42.22 C ATOM 698 CZ PHE A 525 -15.330 -20.417 15.794 1.00 70.34 C ATOM 0 H PHE A 525 -9.455 -17.375 15.630 1.00 30.15 H new ATOM 0 HA PHE A 525 -11.854 -17.706 17.272 1.00 1.41 H new ATOM 0 HB2 PHE A 525 -10.961 -18.796 14.875 1.00 21.33 H new ATOM 0 HB3 PHE A 525 -10.598 -20.068 16.025 1.00 21.33 H new ATOM 0 HD1 PHE A 525 -12.247 -21.652 16.354 1.00 63.42 H new ATOM 0 HD2 PHE A 525 -13.412 -17.691 15.306 1.00 4.21 H new ATOM 0 HE1 PHE A 525 -14.600 -22.355 16.321 1.00 73.34 H new ATOM 0 HE2 PHE A 525 -15.766 -18.391 15.275 1.00 42.22 H new ATOM 0 HZ PHE A 525 -16.365 -20.726 15.778 1.00 70.34 H new ATOM 708 N ALA A 526 -10.734 -19.937 18.541 1.00 74.55 N ATOM 709 CA ALA A 526 -10.155 -20.662 19.665 1.00 74.32 C ATOM 710 C ALA A 526 -8.814 -21.282 19.286 1.00 14.04 C ATOM 711 O ALA A 526 -7.903 -21.364 20.110 1.00 34.42 O ATOM 712 CB ALA A 526 -11.117 -21.736 20.152 1.00 62.54 C ATOM 0 H ALA A 526 -11.556 -20.381 18.131 1.00 74.55 H new ATOM 0 HA ALA A 526 -9.982 -19.952 20.473 1.00 74.32 H new ATOM 0 HB1 ALA A 526 -10.672 -22.270 20.992 1.00 62.54 H new ATOM 0 HB2 ALA A 526 -12.050 -21.271 20.471 1.00 62.54 H new ATOM 0 HB3 ALA A 526 -11.319 -22.437 19.343 1.00 62.54 H new ATOM 718 N SER A 527 -8.701 -21.717 18.036 1.00 64.04 N ATOM 719 CA SER A 527 -7.472 -22.334 17.550 1.00 41.34 C ATOM 720 C SER A 527 -7.226 -21.975 16.087 1.00 22.32 C ATOM 721 O SER A 527 -6.651 -22.760 15.332 1.00 73.03 O ATOM 722 CB SER A 527 -7.541 -23.854 17.709 1.00 13.32 C ATOM 723 OG SER A 527 -7.641 -24.219 19.075 1.00 64.02 O ATOM 0 H SER A 527 -9.445 -21.654 17.341 1.00 64.04 H new ATOM 0 HA SER A 527 -6.643 -21.951 18.145 1.00 41.34 H new ATOM 0 HB2 SER A 527 -8.400 -24.242 17.162 1.00 13.32 H new ATOM 0 HB3 SER A 527 -6.653 -24.309 17.272 1.00 13.32 H new ATOM 0 HG SER A 527 -7.685 -25.195 19.150 1.00 64.02 H new ATOM 729 N HIS A 528 -7.665 -20.784 15.694 1.00 10.35 N ATOM 730 CA HIS A 528 -7.493 -20.319 14.323 1.00 64.45 C ATOM 731 C HIS A 528 -7.492 -18.795 14.261 1.00 52.12 C ATOM 732 O HIS A 528 -7.908 -18.126 15.206 1.00 14.34 O ATOM 733 CB HIS A 528 -8.601 -20.877 13.430 1.00 74.32 C ATOM 734 CG HIS A 528 -8.417 -22.321 13.077 1.00 64.03 C ATOM 735 ND1 HIS A 528 -8.935 -23.353 13.831 1.00 4.40 N ATOM 736 CD2 HIS A 528 -7.768 -22.903 12.041 1.00 24.13 C ATOM 737 CE1 HIS A 528 -8.611 -24.507 13.276 1.00 43.31 C ATOM 738 NE2 HIS A 528 -7.903 -24.262 12.188 1.00 2.20 N ATOM 0 H HIS A 528 -8.143 -20.123 16.306 1.00 10.35 H new ATOM 0 HA HIS A 528 -6.530 -20.679 13.962 1.00 64.45 H new ATOM 0 HB2 HIS A 528 -9.559 -20.754 13.935 1.00 74.32 H new ATOM 0 HB3 HIS A 528 -8.647 -20.290 12.512 1.00 74.32 H new ATOM 0 HD2 HIS A 528 -7.242 -22.394 11.247 1.00 24.13 H new ATOM 0 HE1 HIS A 528 -8.879 -25.485 13.648 1.00 43.31 H new ATOM 0 HE2 HIS A 528 -7.519 -24.967 11.559 1.00 2.20 H new ATOM 746 N SER A 529 -7.022 -18.253 13.142 1.00 3.21 N ATOM 747 CA SER A 529 -6.963 -16.807 12.959 1.00 21.31 C ATOM 748 C SER A 529 -6.683 -16.455 11.501 1.00 31.32 C ATOM 749 O SER A 529 -5.782 -17.016 10.876 1.00 12.30 O ATOM 750 CB SER A 529 -5.883 -16.202 13.858 1.00 12.31 C ATOM 751 OG SER A 529 -4.981 -17.196 14.312 1.00 41.30 O ATOM 0 H SER A 529 -6.677 -18.793 12.349 1.00 3.21 H new ATOM 0 HA SER A 529 -7.932 -16.390 13.236 1.00 21.31 H new ATOM 0 HB2 SER A 529 -5.337 -15.434 13.310 1.00 12.31 H new ATOM 0 HB3 SER A 529 -6.349 -15.712 14.713 1.00 12.31 H new ATOM 0 HG SER A 529 -5.313 -17.581 15.149 1.00 41.30 H new ATOM 757 N THR A 530 -7.463 -15.522 10.964 1.00 3.33 N ATOM 758 CA THR A 530 -7.301 -15.094 9.580 1.00 33.53 C ATOM 759 C THR A 530 -6.714 -13.690 9.503 1.00 24.04 C ATOM 760 O THR A 530 -6.654 -12.976 10.505 1.00 30.52 O ATOM 761 CB THR A 530 -8.643 -15.119 8.825 1.00 73.25 C ATOM 762 OG1 THR A 530 -9.467 -14.029 9.252 1.00 4.44 O ATOM 763 CG2 THR A 530 -9.372 -16.434 9.059 1.00 50.23 C ATOM 0 H THR A 530 -8.213 -15.048 11.467 1.00 3.33 H new ATOM 0 HA THR A 530 -6.614 -15.798 9.110 1.00 33.53 H new ATOM 0 HB THR A 530 -8.436 -15.021 7.759 1.00 73.25 H new ATOM 0 HG1 THR A 530 -10.317 -14.052 8.766 1.00 4.44 H new ATOM 0 HG21 THR A 530 -10.317 -16.428 8.516 1.00 50.23 H new ATOM 0 HG22 THR A 530 -8.755 -17.260 8.705 1.00 50.23 H new ATOM 0 HG23 THR A 530 -9.567 -16.557 10.124 1.00 50.23 H new ATOM 771 N ILE A 531 -6.281 -13.299 8.309 1.00 34.13 N ATOM 772 CA ILE A 531 -5.700 -11.979 8.103 1.00 51.44 C ATOM 773 C ILE A 531 -5.427 -11.723 6.624 1.00 33.41 C ATOM 774 O ILE A 531 -5.048 -12.633 5.887 1.00 33.03 O ATOM 775 CB ILE A 531 -4.388 -11.811 8.891 1.00 20.35 C ATOM 776 CG1 ILE A 531 -3.770 -10.440 8.611 1.00 40.02 C ATOM 777 CG2 ILE A 531 -3.411 -12.922 8.536 1.00 43.44 C ATOM 778 CD1 ILE A 531 -2.774 -10.000 9.661 1.00 50.32 C ATOM 0 H ILE A 531 -6.322 -13.878 7.470 1.00 34.13 H new ATOM 0 HA ILE A 531 -6.428 -11.254 8.467 1.00 51.44 H new ATOM 0 HB ILE A 531 -4.611 -11.876 9.956 1.00 20.35 H new ATOM 0 HG12 ILE A 531 -3.275 -10.465 7.640 1.00 40.02 H new ATOM 0 HG13 ILE A 531 -4.566 -9.699 8.544 1.00 40.02 H new ATOM 0 HG21 ILE A 531 -2.488 -12.789 9.101 1.00 43.44 H new ATOM 0 HG22 ILE A 531 -3.852 -13.887 8.783 1.00 43.44 H new ATOM 0 HG23 ILE A 531 -3.191 -12.886 7.469 1.00 43.44 H new ATOM 0 HD11 ILE A 531 -2.377 -9.020 9.397 1.00 50.32 H new ATOM 0 HD12 ILE A 531 -3.269 -9.942 10.630 1.00 50.32 H new ATOM 0 HD13 ILE A 531 -1.958 -10.721 9.713 1.00 50.32 H new ATOM 790 N GLU A 532 -5.621 -10.479 6.198 1.00 32.13 N ATOM 791 CA GLU A 532 -5.395 -10.104 4.807 1.00 22.44 C ATOM 792 C GLU A 532 -4.309 -9.038 4.701 1.00 2.31 C ATOM 793 O GLU A 532 -4.399 -7.980 5.325 1.00 5.44 O ATOM 794 CB GLU A 532 -6.691 -9.592 4.176 1.00 34.53 C ATOM 795 CG GLU A 532 -6.650 -9.540 2.658 1.00 11.14 C ATOM 796 CD GLU A 532 -8.033 -9.535 2.037 1.00 33.10 C ATOM 797 OE1 GLU A 532 -8.663 -10.613 1.983 1.00 3.44 O ATOM 798 OE2 GLU A 532 -8.486 -8.455 1.604 1.00 13.03 O ATOM 0 H GLU A 532 -5.934 -9.714 6.796 1.00 32.13 H new ATOM 0 HA GLU A 532 -5.063 -10.991 4.268 1.00 22.44 H new ATOM 0 HB2 GLU A 532 -7.515 -10.234 4.487 1.00 34.53 H new ATOM 0 HB3 GLU A 532 -6.902 -8.594 4.560 1.00 34.53 H new ATOM 0 HG2 GLU A 532 -6.111 -8.646 2.343 1.00 11.14 H new ATOM 0 HG3 GLU A 532 -6.091 -10.398 2.284 1.00 11.14 H new ATOM 805 N LEU A 533 -3.283 -9.323 3.907 1.00 70.51 N ATOM 806 CA LEU A 533 -2.178 -8.390 3.718 1.00 11.22 C ATOM 807 C LEU A 533 -2.173 -7.832 2.298 1.00 22.34 C ATOM 808 O LEU A 533 -2.184 -8.572 1.315 1.00 64.44 O ATOM 809 CB LEU A 533 -0.845 -9.080 4.012 1.00 32.13 C ATOM 810 CG LEU A 533 -0.225 -8.787 5.379 1.00 62.41 C ATOM 811 CD1 LEU A 533 -1.202 -9.128 6.493 1.00 73.41 C ATOM 812 CD2 LEU A 533 1.074 -9.561 5.552 1.00 44.45 C ATOM 0 H LEU A 533 -3.193 -10.194 3.383 1.00 70.51 H new ATOM 0 HA LEU A 533 -2.312 -7.562 4.414 1.00 11.22 H new ATOM 0 HB2 LEU A 533 -0.989 -10.157 3.924 1.00 32.13 H new ATOM 0 HB3 LEU A 533 -0.131 -8.790 3.242 1.00 32.13 H new ATOM 0 HG LEU A 533 -0.001 -7.722 5.434 1.00 62.41 H new ATOM 0 HD11 LEU A 533 -0.743 -8.913 7.458 1.00 73.41 H new ATOM 0 HD12 LEU A 533 -2.106 -8.530 6.380 1.00 73.41 H new ATOM 0 HD13 LEU A 533 -1.458 -10.186 6.441 1.00 73.41 H new ATOM 0 HD21 LEU A 533 1.501 -9.341 6.530 1.00 44.45 H new ATOM 0 HD22 LEU A 533 0.874 -10.630 5.476 1.00 44.45 H new ATOM 0 HD23 LEU A 533 1.779 -9.268 4.774 1.00 44.45 H new ATOM 824 N PRO A 534 -2.153 -6.496 2.187 1.00 14.23 N ATOM 825 CA PRO A 534 -2.143 -5.809 0.892 1.00 31.21 C ATOM 826 C PRO A 534 -0.822 -5.988 0.152 1.00 50.22 C ATOM 827 O PRO A 534 -0.683 -5.577 -1.000 1.00 53.34 O ATOM 828 CB PRO A 534 -2.351 -4.340 1.268 1.00 52.02 C ATOM 829 CG PRO A 534 -1.843 -4.230 2.664 1.00 72.40 C ATOM 830 CD PRO A 534 -2.140 -5.552 3.317 1.00 4.14 C ATOM 0 HA PRO A 534 -2.903 -6.201 0.216 1.00 31.21 H new ATOM 0 HB2 PRO A 534 -1.806 -3.678 0.595 1.00 52.02 H new ATOM 0 HB3 PRO A 534 -3.403 -4.061 1.206 1.00 52.02 H new ATOM 0 HG2 PRO A 534 -0.773 -4.021 2.675 1.00 72.40 H new ATOM 0 HG3 PRO A 534 -2.333 -3.414 3.195 1.00 72.40 H new ATOM 0 HD2 PRO A 534 -1.380 -5.816 4.053 1.00 4.14 H new ATOM 0 HD3 PRO A 534 -3.097 -5.536 3.839 1.00 4.14 H new ATOM 838 N LYS A 535 0.147 -6.604 0.820 1.00 32.04 N ATOM 839 CA LYS A 535 1.457 -6.839 0.226 1.00 23.30 C ATOM 840 C LYS A 535 1.322 -7.418 -1.179 1.00 14.41 C ATOM 841 O LYS A 535 0.374 -8.145 -1.472 1.00 53.24 O ATOM 842 CB LYS A 535 2.275 -7.790 1.103 1.00 11.15 C ATOM 843 CG LYS A 535 2.539 -7.253 2.500 1.00 61.14 C ATOM 844 CD LYS A 535 3.856 -6.498 2.567 1.00 63.42 C ATOM 845 CE LYS A 535 3.753 -5.136 1.899 1.00 14.32 C ATOM 846 NZ LYS A 535 4.691 -4.150 2.503 1.00 42.44 N ATOM 0 H LYS A 535 0.049 -6.950 1.775 1.00 32.04 H new ATOM 0 HA LYS A 535 1.973 -5.882 0.158 1.00 23.30 H new ATOM 0 HB2 LYS A 535 1.749 -8.741 1.182 1.00 11.15 H new ATOM 0 HB3 LYS A 535 3.228 -7.992 0.614 1.00 11.15 H new ATOM 0 HG2 LYS A 535 1.724 -6.593 2.797 1.00 61.14 H new ATOM 0 HG3 LYS A 535 2.555 -8.079 3.211 1.00 61.14 H new ATOM 0 HD2 LYS A 535 4.152 -6.372 3.609 1.00 63.42 H new ATOM 0 HD3 LYS A 535 4.637 -7.084 2.083 1.00 63.42 H new ATOM 0 HE2 LYS A 535 3.967 -5.236 0.835 1.00 14.32 H new ATOM 0 HE3 LYS A 535 2.732 -4.766 1.985 1.00 14.32 H new ATOM 0 HZ1 LYS A 535 4.590 -3.234 2.020 1.00 42.44 H new ATOM 0 HZ2 LYS A 535 4.471 -4.035 3.513 1.00 42.44 H new ATOM 0 HZ3 LYS A 535 5.668 -4.491 2.398 1.00 42.44 H new ATOM 860 N GLY A 536 2.277 -7.090 -2.044 1.00 20.32 N ATOM 861 CA GLY A 536 2.246 -7.587 -3.407 1.00 33.10 C ATOM 862 C GLY A 536 3.549 -8.245 -3.815 1.00 2.35 C ATOM 863 O GLY A 536 4.041 -8.029 -4.922 1.00 3.44 O ATOM 0 H GLY A 536 3.071 -6.489 -1.825 1.00 20.32 H new ATOM 0 HA2 GLY A 536 1.432 -8.305 -3.510 1.00 33.10 H new ATOM 0 HA3 GLY A 536 2.031 -6.762 -4.086 1.00 33.10 H new ATOM 867 N MET A 537 4.111 -9.048 -2.917 1.00 74.32 N ATOM 868 CA MET A 537 5.366 -9.739 -3.190 1.00 12.02 C ATOM 869 C MET A 537 5.741 -10.662 -2.035 1.00 14.35 C ATOM 870 O MET A 537 6.715 -10.434 -1.318 1.00 5.02 O ATOM 871 CB MET A 537 6.487 -8.727 -3.434 1.00 51.00 C ATOM 872 CG MET A 537 7.574 -9.237 -4.366 1.00 31.41 C ATOM 873 SD MET A 537 7.201 -8.929 -6.103 1.00 0.02 S ATOM 874 CE MET A 537 6.921 -10.598 -6.690 1.00 40.45 C ATOM 0 H MET A 537 3.718 -9.236 -1.995 1.00 74.32 H new ATOM 0 HA MET A 537 5.231 -10.344 -4.086 1.00 12.02 H new ATOM 0 HB2 MET A 537 6.058 -7.816 -3.853 1.00 51.00 H new ATOM 0 HB3 MET A 537 6.936 -8.457 -2.478 1.00 51.00 H new ATOM 0 HG2 MET A 537 8.520 -8.758 -4.111 1.00 31.41 H new ATOM 0 HG3 MET A 537 7.707 -10.308 -4.211 1.00 31.41 H new ATOM 0 HE1 MET A 537 6.679 -10.574 -7.752 1.00 40.45 H new ATOM 0 HE2 MET A 537 7.821 -11.193 -6.536 1.00 40.45 H new ATOM 0 HE3 MET A 537 6.093 -11.043 -6.139 1.00 40.45 H new ATOM 884 N PRO A 538 4.950 -11.729 -1.847 1.00 54.44 N ATOM 885 CA PRO A 538 5.179 -12.707 -0.780 1.00 43.01 C ATOM 886 C PRO A 538 6.425 -13.551 -1.026 1.00 22.11 C ATOM 887 O PRO A 538 7.156 -13.331 -1.991 1.00 11.53 O ATOM 888 CB PRO A 538 3.924 -13.581 -0.824 1.00 73.42 C ATOM 889 CG PRO A 538 3.425 -13.458 -2.223 1.00 11.25 C ATOM 890 CD PRO A 538 3.770 -12.062 -2.664 1.00 23.44 C ATOM 0 HA PRO A 538 5.346 -12.227 0.184 1.00 43.01 H new ATOM 0 HB2 PRO A 538 4.154 -14.617 -0.576 1.00 73.42 H new ATOM 0 HB3 PRO A 538 3.178 -13.239 -0.106 1.00 73.42 H new ATOM 0 HG2 PRO A 538 3.893 -14.199 -2.871 1.00 11.25 H new ATOM 0 HG3 PRO A 538 2.349 -13.628 -2.270 1.00 11.25 H new ATOM 0 HD2 PRO A 538 3.994 -12.021 -3.730 1.00 23.44 H new ATOM 0 HD3 PRO A 538 2.948 -11.369 -2.484 1.00 23.44 H new ATOM 898 N GLY A 539 6.661 -14.520 -0.146 1.00 44.21 N ATOM 899 CA GLY A 539 7.820 -15.383 -0.286 1.00 12.40 C ATOM 900 C GLY A 539 8.998 -14.911 0.544 1.00 75.13 C ATOM 901 O GLY A 539 10.092 -15.465 0.449 1.00 21.24 O ATOM 0 H GLY A 539 6.071 -14.723 0.661 1.00 44.21 H new ATOM 0 HA2 GLY A 539 7.552 -16.397 0.012 1.00 12.40 H new ATOM 0 HA3 GLY A 539 8.113 -15.426 -1.335 1.00 12.40 H new ATOM 905 N GLU A 540 8.773 -13.884 1.357 1.00 10.12 N ATOM 906 CA GLU A 540 9.826 -13.337 2.204 1.00 2.15 C ATOM 907 C GLU A 540 10.009 -14.184 3.460 1.00 20.24 C ATOM 908 O GLU A 540 11.097 -14.695 3.725 1.00 4.14 O ATOM 909 CB GLU A 540 9.501 -11.893 2.593 1.00 73.22 C ATOM 910 CG GLU A 540 8.975 -11.056 1.439 1.00 64.13 C ATOM 911 CD GLU A 540 9.949 -10.987 0.278 1.00 12.41 C ATOM 912 OE1 GLU A 540 11.144 -11.279 0.487 1.00 25.14 O ATOM 913 OE2 GLU A 540 9.514 -10.640 -0.840 1.00 52.41 O ATOM 0 H GLU A 540 7.872 -13.414 1.447 1.00 10.12 H new ATOM 0 HA GLU A 540 10.757 -13.352 1.637 1.00 2.15 H new ATOM 0 HB2 GLU A 540 8.761 -11.899 3.393 1.00 73.22 H new ATOM 0 HB3 GLU A 540 10.399 -11.422 2.993 1.00 73.22 H new ATOM 0 HG2 GLU A 540 8.031 -11.475 1.092 1.00 64.13 H new ATOM 0 HG3 GLU A 540 8.765 -10.047 1.793 1.00 64.13 H new ATOM 920 N VAL A 541 8.936 -14.328 4.231 1.00 33.53 N ATOM 921 CA VAL A 541 8.976 -15.114 5.459 1.00 2.41 C ATOM 922 C VAL A 541 8.837 -16.603 5.164 1.00 4.20 C ATOM 923 O VAL A 541 9.413 -17.441 5.859 1.00 21.11 O ATOM 924 CB VAL A 541 7.862 -14.689 6.434 1.00 2.41 C ATOM 925 CG1 VAL A 541 7.983 -15.448 7.747 1.00 53.14 C ATOM 926 CG2 VAL A 541 7.907 -13.187 6.671 1.00 12.35 C ATOM 0 H VAL A 541 8.028 -13.911 4.027 1.00 33.53 H new ATOM 0 HA VAL A 541 9.945 -14.928 5.922 1.00 2.41 H new ATOM 0 HB VAL A 541 6.899 -14.935 5.987 1.00 2.41 H new ATOM 0 HG11 VAL A 541 7.188 -15.134 8.423 1.00 53.14 H new ATOM 0 HG12 VAL A 541 7.898 -16.518 7.558 1.00 53.14 H new ATOM 0 HG13 VAL A 541 8.951 -15.236 8.202 1.00 53.14 H new ATOM 0 HG21 VAL A 541 7.113 -12.904 7.362 1.00 12.35 H new ATOM 0 HG22 VAL A 541 8.873 -12.915 7.096 1.00 12.35 H new ATOM 0 HG23 VAL A 541 7.767 -12.665 5.724 1.00 12.35 H new ATOM 936 N LEU A 542 8.070 -16.926 4.129 1.00 65.03 N ATOM 937 CA LEU A 542 7.856 -18.316 3.740 1.00 53.42 C ATOM 938 C LEU A 542 9.159 -18.959 3.278 1.00 70.35 C ATOM 939 O LEU A 542 9.302 -20.181 3.305 1.00 72.32 O ATOM 940 CB LEU A 542 6.810 -18.398 2.627 1.00 73.52 C ATOM 941 CG LEU A 542 5.475 -17.707 2.907 1.00 30.22 C ATOM 942 CD1 LEU A 542 4.621 -17.665 1.649 1.00 30.25 C ATOM 943 CD2 LEU A 542 4.735 -18.414 4.033 1.00 13.24 C ATOM 0 H LEU A 542 7.586 -16.245 3.544 1.00 65.03 H new ATOM 0 HA LEU A 542 7.494 -18.861 4.612 1.00 53.42 H new ATOM 0 HB2 LEU A 542 7.237 -17.966 1.722 1.00 73.52 H new ATOM 0 HB3 LEU A 542 6.615 -19.449 2.416 1.00 73.52 H new ATOM 0 HG LEU A 542 5.676 -16.682 3.219 1.00 30.22 H new ATOM 0 HD11 LEU A 542 3.675 -17.170 1.868 1.00 30.25 H new ATOM 0 HD12 LEU A 542 5.148 -17.114 0.870 1.00 30.25 H new ATOM 0 HD13 LEU A 542 4.428 -18.682 1.306 1.00 30.25 H new ATOM 0 HD21 LEU A 542 3.787 -17.909 4.219 1.00 13.24 H new ATOM 0 HD22 LEU A 542 4.545 -19.449 3.750 1.00 13.24 H new ATOM 0 HD23 LEU A 542 5.342 -18.391 4.938 1.00 13.24 H new ATOM 955 N GLN A 543 10.106 -18.128 2.856 1.00 65.23 N ATOM 956 CA GLN A 543 11.399 -18.617 2.389 1.00 35.12 C ATOM 957 C GLN A 543 12.345 -18.856 3.561 1.00 44.14 C ATOM 958 O GLN A 543 12.823 -19.972 3.769 1.00 41.22 O ATOM 959 CB GLN A 543 12.021 -17.621 1.410 1.00 42.33 C ATOM 960 CG GLN A 543 11.656 -17.886 -0.042 1.00 44.10 C ATOM 961 CD GLN A 543 12.211 -19.201 -0.552 1.00 71.31 C ATOM 962 OE1 GLN A 543 11.461 -20.136 -0.837 1.00 40.52 O ATOM 963 NE2 GLN A 543 13.531 -19.282 -0.670 1.00 41.43 N ATOM 0 H GLN A 543 10.003 -17.114 2.828 1.00 65.23 H new ATOM 0 HA GLN A 543 11.238 -19.566 1.877 1.00 35.12 H new ATOM 0 HB2 GLN A 543 11.702 -16.614 1.678 1.00 42.33 H new ATOM 0 HB3 GLN A 543 13.106 -17.651 1.515 1.00 42.33 H new ATOM 0 HG2 GLN A 543 10.571 -17.889 -0.145 1.00 44.10 H new ATOM 0 HG3 GLN A 543 12.033 -17.072 -0.662 1.00 44.10 H new ATOM 0 HE21 GLN A 543 14.115 -18.483 -0.423 1.00 41.43 H new ATOM 0 HE22 GLN A 543 13.961 -20.143 -1.008 1.00 41.43 H new ATOM 972 N HIS A 544 12.613 -17.801 4.323 1.00 4.33 N ATOM 973 CA HIS A 544 13.504 -17.896 5.475 1.00 53.12 C ATOM 974 C HIS A 544 12.880 -18.750 6.574 1.00 21.15 C ATOM 975 O HIS A 544 13.478 -19.724 7.032 1.00 31.23 O ATOM 976 CB HIS A 544 13.824 -16.502 6.015 1.00 12.03 C ATOM 977 CG HIS A 544 15.083 -16.448 6.824 1.00 43.21 C ATOM 978 ND1 HIS A 544 15.162 -16.896 8.126 1.00 52.43 N ATOM 979 CD2 HIS A 544 16.320 -15.996 6.508 1.00 74.33 C ATOM 980 CE1 HIS A 544 16.391 -16.720 8.576 1.00 63.41 C ATOM 981 NE2 HIS A 544 17.114 -16.177 7.613 1.00 10.43 N ATOM 0 H HIS A 544 12.227 -16.870 4.164 1.00 4.33 H new ATOM 0 HA HIS A 544 14.429 -18.372 5.150 1.00 53.12 H new ATOM 0 HB2 HIS A 544 13.909 -15.808 5.179 1.00 12.03 H new ATOM 0 HB3 HIS A 544 12.992 -16.160 6.630 1.00 12.03 H new ATOM 0 HD2 HIS A 544 16.625 -15.572 5.563 1.00 74.33 H new ATOM 0 HE1 HIS A 544 16.745 -16.976 9.564 1.00 63.41 H new ATOM 0 HE2 HIS A 544 18.102 -15.932 7.680 1.00 10.43 H new ATOM 989 N PHE A 545 11.676 -18.378 6.995 1.00 54.04 N ATOM 990 CA PHE A 545 10.972 -19.109 8.042 1.00 53.20 C ATOM 991 C PHE A 545 10.153 -20.253 7.451 1.00 42.12 C ATOM 992 O PHE A 545 8.992 -20.452 7.810 1.00 22.32 O ATOM 993 CB PHE A 545 10.058 -18.165 8.826 1.00 13.10 C ATOM 994 CG PHE A 545 10.769 -17.403 9.907 1.00 11.24 C ATOM 995 CD1 PHE A 545 10.372 -17.518 11.230 1.00 43.00 C ATOM 996 CD2 PHE A 545 11.834 -16.571 9.601 1.00 12.13 C ATOM 997 CE1 PHE A 545 11.025 -16.818 12.228 1.00 72.43 C ATOM 998 CE2 PHE A 545 12.490 -15.869 10.595 1.00 63.23 C ATOM 999 CZ PHE A 545 12.085 -15.992 11.909 1.00 34.12 C ATOM 0 H PHE A 545 11.167 -17.574 6.627 1.00 54.04 H new ATOM 0 HA PHE A 545 11.715 -19.530 8.719 1.00 53.20 H new ATOM 0 HB2 PHE A 545 9.601 -17.457 8.134 1.00 13.10 H new ATOM 0 HB3 PHE A 545 9.249 -18.743 9.272 1.00 13.10 H new ATOM 0 HD1 PHE A 545 9.543 -18.162 11.484 1.00 43.00 H new ATOM 0 HD2 PHE A 545 12.155 -16.470 8.575 1.00 12.13 H new ATOM 0 HE1 PHE A 545 10.707 -16.917 13.255 1.00 72.43 H new ATOM 0 HE2 PHE A 545 13.319 -15.224 10.344 1.00 63.23 H new ATOM 0 HZ PHE A 545 12.596 -15.443 12.686 1.00 34.12 H new ATOM 1009 N THR A 546 10.767 -21.003 6.540 1.00 14.33 N ATOM 1010 CA THR A 546 10.096 -22.126 5.897 1.00 10.52 C ATOM 1011 C THR A 546 10.096 -23.355 6.798 1.00 33.12 C ATOM 1012 O THR A 546 9.191 -24.187 6.729 1.00 71.03 O ATOM 1013 CB THR A 546 10.764 -22.486 4.557 1.00 54.44 C ATOM 1014 OG1 THR A 546 9.928 -23.384 3.819 1.00 55.25 O ATOM 1015 CG2 THR A 546 12.125 -23.124 4.785 1.00 65.15 C ATOM 0 H THR A 546 11.727 -20.853 6.231 1.00 14.33 H new ATOM 0 HA THR A 546 9.068 -21.816 5.710 1.00 10.52 H new ATOM 0 HB THR A 546 10.902 -21.567 3.987 1.00 54.44 H new ATOM 0 HG1 THR A 546 10.359 -23.607 2.968 1.00 55.25 H new ATOM 0 HG21 THR A 546 12.577 -23.370 3.824 1.00 65.15 H new ATOM 0 HG22 THR A 546 12.768 -22.427 5.321 1.00 65.15 H new ATOM 0 HG23 THR A 546 12.006 -24.034 5.373 1.00 65.15 H new ATOM 1023 N ARG A 547 11.115 -23.463 7.644 1.00 62.51 N ATOM 1024 CA ARG A 547 11.232 -24.593 8.559 1.00 43.43 C ATOM 1025 C ARG A 547 10.866 -24.180 9.981 1.00 1.13 C ATOM 1026 O ARG A 547 10.512 -25.018 10.812 1.00 43.15 O ATOM 1027 CB ARG A 547 12.655 -25.155 8.530 1.00 52.35 C ATOM 1028 CG ARG A 547 13.681 -24.250 9.192 1.00 32.14 C ATOM 1029 CD ARG A 547 14.116 -24.797 10.543 1.00 72.21 C ATOM 1030 NE ARG A 547 15.417 -24.274 10.952 1.00 35.21 N ATOM 1031 CZ ARG A 547 15.993 -24.563 12.114 1.00 75.44 C ATOM 1032 NH1 ARG A 547 15.386 -25.367 12.976 1.00 22.41 N ATOM 1033 NH2 ARG A 547 17.178 -24.048 12.414 1.00 31.41 N ATOM 0 H ARG A 547 11.871 -22.782 7.715 1.00 62.51 H new ATOM 0 HA ARG A 547 10.537 -25.366 8.233 1.00 43.43 H new ATOM 0 HB2 ARG A 547 12.664 -26.125 9.028 1.00 52.35 H new ATOM 0 HB3 ARG A 547 12.948 -25.326 7.494 1.00 52.35 H new ATOM 0 HG2 ARG A 547 14.550 -24.147 8.543 1.00 32.14 H new ATOM 0 HG3 ARG A 547 13.260 -23.253 9.320 1.00 32.14 H new ATOM 0 HD2 ARG A 547 13.370 -24.541 11.295 1.00 72.21 H new ATOM 0 HD3 ARG A 547 14.161 -25.885 10.496 1.00 72.21 H new ATOM 0 HE ARG A 547 15.910 -23.653 10.311 1.00 35.21 H new ATOM 0 HH11 ARG A 547 14.475 -25.765 12.748 1.00 22.41 H new ATOM 0 HH12 ARG A 547 15.830 -25.588 13.867 1.00 22.41 H new ATOM 0 HH21 ARG A 547 17.648 -23.430 11.753 1.00 31.41 H new ATOM 0 HH22 ARG A 547 17.620 -24.270 13.306 1.00 31.41 H new ATOM 1047 N THR A 548 10.954 -22.882 10.257 1.00 71.21 N ATOM 1048 CA THR A 548 10.634 -22.358 11.579 1.00 71.14 C ATOM 1049 C THR A 548 9.420 -21.438 11.526 1.00 52.10 C ATOM 1050 O THR A 548 9.341 -20.546 10.681 1.00 4.11 O ATOM 1051 CB THR A 548 11.823 -21.586 12.180 1.00 64.01 C ATOM 1052 OG1 THR A 548 12.956 -22.453 12.309 1.00 75.32 O ATOM 1053 CG2 THR A 548 11.462 -21.010 13.541 1.00 41.34 C ATOM 0 H THR A 548 11.244 -22.175 9.582 1.00 71.21 H new ATOM 0 HA THR A 548 10.409 -23.216 12.213 1.00 71.14 H new ATOM 0 HB THR A 548 12.070 -20.764 11.509 1.00 64.01 H new ATOM 0 HG1 THR A 548 13.708 -21.954 12.690 1.00 75.32 H new ATOM 0 HG21 THR A 548 12.317 -20.469 13.946 1.00 41.34 H new ATOM 0 HG22 THR A 548 10.618 -20.328 13.435 1.00 41.34 H new ATOM 0 HG23 THR A 548 11.191 -21.820 14.219 1.00 41.34 H new ATOM 1061 N ARG A 549 8.475 -21.660 12.434 1.00 1.20 N ATOM 1062 CA ARG A 549 7.264 -20.850 12.490 1.00 20.02 C ATOM 1063 C ARG A 549 6.732 -20.765 13.918 1.00 65.10 C ATOM 1064 O ARG A 549 7.284 -21.377 14.833 1.00 34.42 O ATOM 1065 CB ARG A 549 6.191 -21.434 11.569 1.00 22.11 C ATOM 1066 CG ARG A 549 6.446 -21.171 10.094 1.00 60.00 C ATOM 1067 CD ARG A 549 6.975 -22.411 9.390 1.00 11.02 C ATOM 1068 NE ARG A 549 6.013 -22.948 8.431 1.00 4.01 N ATOM 1069 CZ ARG A 549 5.853 -22.466 7.204 1.00 74.44 C ATOM 1070 NH1 ARG A 549 6.586 -21.443 6.788 1.00 21.10 N ATOM 1071 NH2 ARG A 549 4.957 -23.009 6.389 1.00 52.12 N ATOM 0 H ARG A 549 8.525 -22.394 13.141 1.00 1.20 H new ATOM 0 HA ARG A 549 7.514 -19.844 12.153 1.00 20.02 H new ATOM 0 HB2 ARG A 549 6.130 -22.510 11.732 1.00 22.11 H new ATOM 0 HB3 ARG A 549 5.222 -21.015 11.842 1.00 22.11 H new ATOM 0 HG2 ARG A 549 5.522 -20.847 9.616 1.00 60.00 H new ATOM 0 HG3 ARG A 549 7.163 -20.357 9.987 1.00 60.00 H new ATOM 0 HD2 ARG A 549 7.903 -22.167 8.874 1.00 11.02 H new ATOM 0 HD3 ARG A 549 7.213 -23.174 10.131 1.00 11.02 H new ATOM 0 HE ARG A 549 5.433 -23.736 8.719 1.00 4.01 H new ATOM 0 HH11 ARG A 549 7.276 -21.023 7.411 1.00 21.10 H new ATOM 0 HH12 ARG A 549 6.460 -21.076 5.845 1.00 21.10 H new ATOM 0 HH21 ARG A 549 4.391 -23.797 6.705 1.00 52.12 H new ATOM 0 HH22 ARG A 549 4.834 -22.639 5.447 1.00 52.12 H new ATOM 1085 N ILE A 550 5.660 -20.002 14.100 1.00 31.40 N ATOM 1086 CA ILE A 550 5.054 -19.838 15.416 1.00 63.23 C ATOM 1087 C ILE A 550 3.690 -19.164 15.313 1.00 63.12 C ATOM 1088 O ILE A 550 3.217 -18.859 14.217 1.00 4.11 O ATOM 1089 CB ILE A 550 5.955 -19.009 16.350 1.00 32.25 C ATOM 1090 CG1 ILE A 550 5.701 -19.391 17.810 1.00 31.51 C ATOM 1091 CG2 ILE A 550 5.714 -17.522 16.137 1.00 74.41 C ATOM 1092 CD1 ILE A 550 6.967 -19.548 18.623 1.00 40.41 C ATOM 0 H ILE A 550 5.193 -19.488 13.353 1.00 31.40 H new ATOM 0 HA ILE A 550 4.932 -20.837 15.835 1.00 63.23 H new ATOM 0 HB ILE A 550 6.996 -19.226 16.112 1.00 32.25 H new ATOM 0 HG12 ILE A 550 5.074 -18.629 18.273 1.00 31.51 H new ATOM 0 HG13 ILE A 550 5.141 -20.326 17.840 1.00 31.51 H new ATOM 0 HG21 ILE A 550 6.358 -16.950 16.804 1.00 74.41 H new ATOM 0 HG22 ILE A 550 5.940 -17.261 15.103 1.00 74.41 H new ATOM 0 HG23 ILE A 550 4.671 -17.288 16.351 1.00 74.41 H new ATOM 0 HD11 ILE A 550 6.710 -19.819 19.647 1.00 40.41 H new ATOM 0 HD12 ILE A 550 7.586 -20.331 18.185 1.00 40.41 H new ATOM 0 HD13 ILE A 550 7.518 -18.607 18.624 1.00 40.41 H new ATOM 1104 N LEU A 551 3.063 -18.933 16.461 1.00 51.24 N ATOM 1105 CA LEU A 551 1.753 -18.292 16.501 1.00 72.31 C ATOM 1106 C LEU A 551 1.640 -17.215 15.427 1.00 70.33 C ATOM 1107 O LEU A 551 0.613 -17.094 14.761 1.00 73.32 O ATOM 1108 CB LEU A 551 1.505 -17.680 17.881 1.00 73.52 C ATOM 1109 CG LEU A 551 2.406 -16.507 18.267 1.00 71.14 C ATOM 1110 CD1 LEU A 551 1.764 -15.187 17.869 1.00 73.35 C ATOM 1111 CD2 LEU A 551 2.701 -16.530 19.759 1.00 3.23 C ATOM 0 H LEU A 551 3.440 -19.180 17.376 1.00 51.24 H new ATOM 0 HA LEU A 551 0.998 -19.053 16.306 1.00 72.31 H new ATOM 0 HB2 LEU A 551 0.468 -17.346 17.927 1.00 73.52 H new ATOM 0 HB3 LEU A 551 1.622 -18.463 18.630 1.00 73.52 H new ATOM 0 HG LEU A 551 3.349 -16.606 17.729 1.00 71.14 H new ATOM 0 HD11 LEU A 551 2.420 -14.364 18.152 1.00 73.35 H new ATOM 0 HD12 LEU A 551 1.605 -15.170 16.791 1.00 73.35 H new ATOM 0 HD13 LEU A 551 0.807 -15.080 18.379 1.00 73.35 H new ATOM 0 HD21 LEU A 551 3.344 -15.688 20.016 1.00 3.23 H new ATOM 0 HD22 LEU A 551 1.767 -16.457 20.316 1.00 3.23 H new ATOM 0 HD23 LEU A 551 3.204 -17.462 20.016 1.00 3.23 H new ATOM 1123 N ASN A 552 2.704 -16.436 15.263 1.00 65.52 N ATOM 1124 CA ASN A 552 2.725 -15.370 14.268 1.00 65.31 C ATOM 1125 C ASN A 552 2.973 -15.934 12.872 1.00 51.21 C ATOM 1126 O ASN A 552 2.133 -15.807 11.981 1.00 52.22 O ATOM 1127 CB ASN A 552 3.805 -14.343 14.614 1.00 51.30 C ATOM 1128 CG ASN A 552 3.963 -13.285 13.538 1.00 32.43 C ATOM 1129 OD1 ASN A 552 5.079 -12.949 13.142 1.00 13.33 O ATOM 1130 ND2 ASN A 552 2.843 -12.756 13.060 1.00 34.04 N ATOM 0 H ASN A 552 3.563 -16.523 15.806 1.00 65.52 H new ATOM 0 HA ASN A 552 1.751 -14.880 14.275 1.00 65.31 H new ATOM 0 HB2 ASN A 552 3.555 -13.861 15.559 1.00 51.30 H new ATOM 0 HB3 ASN A 552 4.756 -14.855 14.759 1.00 51.30 H new ATOM 0 HD21 ASN A 552 2.886 -12.040 12.334 1.00 34.04 H new ATOM 0 HD22 ASN A 552 1.939 -13.065 13.418 1.00 34.04 H new ATOM 1137 N LYS A 553 4.132 -16.558 12.688 1.00 13.45 N ATOM 1138 CA LYS A 553 4.491 -17.143 11.402 1.00 31.03 C ATOM 1139 C LYS A 553 3.502 -18.235 11.006 1.00 0.14 C ATOM 1140 O LYS A 553 2.747 -18.751 11.831 1.00 64.11 O ATOM 1141 CB LYS A 553 5.907 -17.719 11.459 1.00 65.22 C ATOM 1142 CG LYS A 553 6.861 -16.905 12.316 1.00 64.40 C ATOM 1143 CD LYS A 553 6.824 -15.432 11.947 1.00 41.13 C ATOM 1144 CE LYS A 553 8.114 -14.726 12.338 1.00 74.42 C ATOM 1145 NZ LYS A 553 8.402 -14.864 13.792 1.00 13.43 N ATOM 0 H LYS A 553 4.839 -16.671 13.414 1.00 13.45 H new ATOM 0 HA LYS A 553 4.456 -16.355 10.650 1.00 31.03 H new ATOM 0 HB2 LYS A 553 5.861 -18.736 11.848 1.00 65.22 H new ATOM 0 HB3 LYS A 553 6.305 -17.782 10.446 1.00 65.22 H new ATOM 0 HG2 LYS A 553 6.599 -17.024 13.367 1.00 64.40 H new ATOM 0 HG3 LYS A 553 7.875 -17.286 12.195 1.00 64.40 H new ATOM 0 HD2 LYS A 553 6.662 -15.329 10.874 1.00 41.13 H new ATOM 0 HD3 LYS A 553 5.981 -14.953 12.444 1.00 41.13 H new ATOM 0 HE2 LYS A 553 8.943 -15.139 11.763 1.00 74.42 H new ATOM 0 HE3 LYS A 553 8.042 -13.669 12.081 1.00 74.42 H new ATOM 0 HZ1 LYS A 553 9.200 -14.248 14.048 1.00 13.43 H new ATOM 0 HZ2 LYS A 553 7.562 -14.589 14.340 1.00 13.43 H new ATOM 0 HZ3 LYS A 553 8.646 -15.852 14.005 1.00 13.43 H new ATOM 1159 N PRO A 554 3.505 -18.597 9.715 1.00 61.40 N ATOM 1160 CA PRO A 554 2.615 -19.633 9.181 1.00 4.03 C ATOM 1161 C PRO A 554 2.987 -21.027 9.675 1.00 60.11 C ATOM 1162 O PRO A 554 3.564 -21.824 8.936 1.00 45.22 O ATOM 1163 CB PRO A 554 2.819 -19.530 7.668 1.00 52.23 C ATOM 1164 CG PRO A 554 4.181 -18.949 7.507 1.00 24.42 C ATOM 1165 CD PRO A 554 4.378 -18.024 8.676 1.00 31.55 C ATOM 0 HA PRO A 554 1.582 -19.486 9.497 1.00 4.03 H new ATOM 0 HB2 PRO A 554 2.747 -20.508 7.192 1.00 52.23 H new ATOM 0 HB3 PRO A 554 2.061 -18.895 7.209 1.00 52.23 H new ATOM 0 HG2 PRO A 554 4.940 -19.731 7.496 1.00 24.42 H new ATOM 0 HG3 PRO A 554 4.266 -18.409 6.564 1.00 24.42 H new ATOM 0 HD2 PRO A 554 5.420 -17.997 8.996 1.00 31.55 H new ATOM 0 HD3 PRO A 554 4.093 -17.001 8.431 1.00 31.55 H new ATOM 1173 N MET A 555 2.652 -21.315 10.928 1.00 14.02 N ATOM 1174 CA MET A 555 2.949 -22.615 11.519 1.00 2.53 C ATOM 1175 C MET A 555 2.140 -23.717 10.844 1.00 62.14 C ATOM 1176 O MET A 555 2.685 -24.748 10.451 1.00 2.23 O ATOM 1177 CB MET A 555 2.654 -22.596 13.020 1.00 15.22 C ATOM 1178 CG MET A 555 2.725 -23.968 13.671 1.00 52.22 C ATOM 1179 SD MET A 555 4.378 -24.684 13.602 1.00 61.10 S ATOM 1180 CE MET A 555 4.436 -25.552 15.167 1.00 22.54 C ATOM 0 H MET A 555 2.175 -20.666 11.554 1.00 14.02 H new ATOM 0 HA MET A 555 4.008 -22.822 11.367 1.00 2.53 H new ATOM 0 HB2 MET A 555 3.364 -21.932 13.513 1.00 15.22 H new ATOM 0 HB3 MET A 555 1.661 -22.177 13.181 1.00 15.22 H new ATOM 0 HG2 MET A 555 2.411 -23.889 14.712 1.00 52.22 H new ATOM 0 HG3 MET A 555 2.022 -24.638 13.176 1.00 52.22 H new ATOM 0 HE1 MET A 555 5.401 -26.048 15.272 1.00 22.54 H new ATOM 0 HE2 MET A 555 4.303 -24.841 15.982 1.00 22.54 H new ATOM 0 HE3 MET A 555 3.640 -26.296 15.200 1.00 22.54 H new ATOM 1190 N ASN A 556 0.837 -23.493 10.712 1.00 52.55 N ATOM 1191 CA ASN A 556 -0.047 -24.468 10.084 1.00 71.12 C ATOM 1192 C ASN A 556 -1.253 -23.781 9.451 1.00 74.01 C ATOM 1193 O ASN A 556 -2.395 -24.024 9.842 1.00 4.12 O ATOM 1194 CB ASN A 556 -0.515 -25.499 11.113 1.00 71.44 C ATOM 1195 CG ASN A 556 -1.049 -26.762 10.464 1.00 65.11 C ATOM 1196 OD1 ASN A 556 -0.676 -27.101 9.340 1.00 13.04 O ATOM 1197 ND2 ASN A 556 -1.926 -27.465 11.171 1.00 63.11 N ATOM 0 H ASN A 556 0.370 -22.645 11.032 1.00 52.55 H new ATOM 0 HA ASN A 556 0.513 -24.976 9.299 1.00 71.12 H new ATOM 0 HB2 ASN A 556 0.316 -25.755 11.771 1.00 71.44 H new ATOM 0 HB3 ASN A 556 -1.292 -25.058 11.738 1.00 71.44 H new ATOM 0 HD21 ASN A 556 -2.319 -28.324 10.787 1.00 63.11 H new ATOM 0 HD22 ASN A 556 -2.206 -27.146 12.098 1.00 63.11 H new ATOM 1204 N MET A 557 -0.992 -22.923 8.470 1.00 3.15 N ATOM 1205 CA MET A 557 -2.056 -22.202 7.782 1.00 71.00 C ATOM 1206 C MET A 557 -2.286 -22.774 6.387 1.00 72.41 C ATOM 1207 O MET A 557 -1.650 -23.752 5.995 1.00 24.25 O ATOM 1208 CB MET A 557 -1.714 -20.714 7.685 1.00 22.03 C ATOM 1209 CG MET A 557 -0.444 -20.432 6.898 1.00 75.31 C ATOM 1210 SD MET A 557 -0.474 -18.823 6.086 1.00 4.41 S ATOM 1211 CE MET A 557 -0.568 -19.313 4.366 1.00 53.51 C ATOM 0 H MET A 557 -0.053 -22.710 8.134 1.00 3.15 H new ATOM 0 HA MET A 557 -2.973 -22.320 8.360 1.00 71.00 H new ATOM 0 HB2 MET A 557 -2.546 -20.188 7.217 1.00 22.03 H new ATOM 0 HB3 MET A 557 -1.606 -20.308 8.691 1.00 22.03 H new ATOM 0 HG2 MET A 557 0.413 -20.480 7.570 1.00 75.31 H new ATOM 0 HG3 MET A 557 -0.305 -21.211 6.148 1.00 75.31 H new ATOM 0 HE1 MET A 557 -0.594 -18.424 3.735 1.00 53.51 H new ATOM 0 HE2 MET A 557 0.305 -19.914 4.111 1.00 53.51 H new ATOM 0 HE3 MET A 557 -1.472 -19.900 4.204 1.00 53.51 H new ATOM 1221 N GLN A 558 -3.199 -22.159 5.643 1.00 54.03 N ATOM 1222 CA GLN A 558 -3.513 -22.609 4.292 1.00 70.22 C ATOM 1223 C GLN A 558 -4.233 -21.517 3.508 1.00 74.44 C ATOM 1224 O GLN A 558 -5.151 -20.873 4.019 1.00 64.41 O ATOM 1225 CB GLN A 558 -4.375 -23.872 4.340 1.00 64.24 C ATOM 1226 CG GLN A 558 -5.825 -23.606 4.707 1.00 13.45 C ATOM 1227 CD GLN A 558 -6.612 -24.880 4.939 1.00 34.32 C ATOM 1228 OE1 GLN A 558 -6.179 -25.766 5.676 1.00 25.22 O ATOM 1229 NE2 GLN A 558 -7.777 -24.980 4.310 1.00 54.33 N ATOM 0 H GLN A 558 -3.734 -21.348 5.953 1.00 54.03 H new ATOM 0 HA GLN A 558 -2.575 -22.837 3.785 1.00 70.22 H new ATOM 0 HB2 GLN A 558 -4.339 -24.363 3.368 1.00 64.24 H new ATOM 0 HB3 GLN A 558 -3.947 -24.566 5.063 1.00 64.24 H new ATOM 0 HG2 GLN A 558 -5.861 -22.992 5.607 1.00 13.45 H new ATOM 0 HG3 GLN A 558 -6.298 -23.032 3.910 1.00 13.45 H new ATOM 0 HE21 GLN A 558 -8.098 -24.222 3.708 1.00 54.33 H new ATOM 0 HE22 GLN A 558 -8.351 -25.815 4.429 1.00 54.33 H new ATOM 1238 N LEU A 559 -3.813 -21.314 2.264 1.00 3.42 N ATOM 1239 CA LEU A 559 -4.418 -20.299 1.408 1.00 3.35 C ATOM 1240 C LEU A 559 -5.842 -20.688 1.026 1.00 51.23 C ATOM 1241 O LEU A 559 -6.071 -21.745 0.437 1.00 53.14 O ATOM 1242 CB LEU A 559 -3.575 -20.098 0.147 1.00 33.55 C ATOM 1243 CG LEU A 559 -3.971 -18.921 -0.744 1.00 74.34 C ATOM 1244 CD1 LEU A 559 -5.203 -19.266 -1.568 1.00 24.21 C ATOM 1245 CD2 LEU A 559 -4.220 -17.676 0.095 1.00 73.53 C ATOM 0 H LEU A 559 -3.056 -21.839 1.826 1.00 3.42 H new ATOM 0 HA LEU A 559 -4.454 -19.363 1.965 1.00 3.35 H new ATOM 0 HB2 LEU A 559 -2.535 -19.967 0.446 1.00 33.55 H new ATOM 0 HB3 LEU A 559 -3.623 -21.010 -0.448 1.00 33.55 H new ATOM 0 HG LEU A 559 -3.147 -18.715 -1.428 1.00 74.34 H new ATOM 0 HD11 LEU A 559 -5.470 -18.416 -2.196 1.00 24.21 H new ATOM 0 HD12 LEU A 559 -4.989 -20.130 -2.198 1.00 24.21 H new ATOM 0 HD13 LEU A 559 -6.033 -19.499 -0.901 1.00 24.21 H new ATOM 0 HD21 LEU A 559 -4.501 -16.848 -0.556 1.00 73.53 H new ATOM 0 HD22 LEU A 559 -5.026 -17.870 0.803 1.00 73.53 H new ATOM 0 HD23 LEU A 559 -3.312 -17.417 0.640 1.00 73.53 H new ATOM 1257 N LEU A 560 -6.796 -19.826 1.362 1.00 23.43 N ATOM 1258 CA LEU A 560 -8.199 -20.078 1.052 1.00 63.41 C ATOM 1259 C LEU A 560 -8.743 -19.023 0.094 1.00 4.04 C ATOM 1260 O LEU A 560 -9.705 -19.266 -0.632 1.00 35.13 O ATOM 1261 CB LEU A 560 -9.030 -20.096 2.336 1.00 52.33 C ATOM 1262 CG LEU A 560 -9.441 -18.730 2.888 1.00 62.30 C ATOM 1263 CD1 LEU A 560 -10.821 -18.343 2.382 1.00 55.23 C ATOM 1264 CD2 LEU A 560 -9.412 -18.740 4.409 1.00 1.34 C ATOM 0 H LEU A 560 -6.623 -18.947 1.849 1.00 23.43 H new ATOM 0 HA LEU A 560 -8.270 -21.052 0.568 1.00 63.41 H new ATOM 0 HB2 LEU A 560 -9.933 -20.678 2.153 1.00 52.33 H new ATOM 0 HB3 LEU A 560 -8.463 -20.621 3.105 1.00 52.33 H new ATOM 0 HG LEU A 560 -8.726 -17.987 2.535 1.00 62.30 H new ATOM 0 HD11 LEU A 560 -11.096 -17.368 2.785 1.00 55.23 H new ATOM 0 HD12 LEU A 560 -10.809 -18.295 1.293 1.00 55.23 H new ATOM 0 HD13 LEU A 560 -11.549 -19.088 2.704 1.00 55.23 H new ATOM 0 HD21 LEU A 560 -9.707 -17.760 4.785 1.00 1.34 H new ATOM 0 HD22 LEU A 560 -10.104 -19.495 4.781 1.00 1.34 H new ATOM 0 HD23 LEU A 560 -8.404 -18.972 4.752 1.00 1.34 H new ATOM 1276 N GLY A 561 -8.117 -17.850 0.097 1.00 0.33 N ATOM 1277 CA GLY A 561 -8.551 -16.775 -0.777 1.00 20.45 C ATOM 1278 C GLY A 561 -7.955 -16.882 -2.166 1.00 52.13 C ATOM 1279 O GLY A 561 -7.580 -17.969 -2.607 1.00 13.33 O ATOM 0 H GLY A 561 -7.317 -17.625 0.689 1.00 0.33 H new ATOM 0 HA2 GLY A 561 -9.639 -16.786 -0.850 1.00 20.45 H new ATOM 0 HA3 GLY A 561 -8.271 -15.818 -0.337 1.00 20.45 H new ATOM 1283 N ASP A 562 -7.869 -15.752 -2.859 1.00 41.13 N ATOM 1284 CA ASP A 562 -7.315 -15.722 -4.208 1.00 70.50 C ATOM 1285 C ASP A 562 -7.028 -14.290 -4.646 1.00 43.14 C ATOM 1286 O ASP A 562 -7.928 -13.452 -4.691 1.00 42.24 O ATOM 1287 CB ASP A 562 -8.279 -16.387 -5.193 1.00 3.24 C ATOM 1288 CG ASP A 562 -7.638 -16.650 -6.541 1.00 53.44 C ATOM 1289 OD1 ASP A 562 -6.446 -17.021 -6.570 1.00 50.13 O ATOM 1290 OD2 ASP A 562 -8.329 -16.485 -7.568 1.00 55.21 O ATOM 0 H ASP A 562 -8.176 -14.844 -2.509 1.00 41.13 H new ATOM 0 HA ASP A 562 -6.376 -16.275 -4.201 1.00 70.50 H new ATOM 0 HB2 ASP A 562 -8.632 -17.328 -4.772 1.00 3.24 H new ATOM 0 HB3 ASP A 562 -9.153 -15.750 -5.328 1.00 3.24 H new ATOM 1295 N ALA A 563 -5.767 -14.016 -4.968 1.00 35.25 N ATOM 1296 CA ALA A 563 -5.362 -12.686 -5.403 1.00 42.40 C ATOM 1297 C ALA A 563 -6.256 -12.180 -6.530 1.00 72.41 C ATOM 1298 O ALA A 563 -6.496 -12.888 -7.508 1.00 40.10 O ATOM 1299 CB ALA A 563 -3.906 -12.696 -5.846 1.00 73.21 C ATOM 0 H ALA A 563 -5.009 -14.698 -4.935 1.00 35.25 H new ATOM 0 HA ALA A 563 -5.469 -12.007 -4.557 1.00 42.40 H new ATOM 0 HB1 ALA A 563 -3.617 -11.696 -6.168 1.00 73.21 H new ATOM 0 HB2 ALA A 563 -3.274 -13.006 -5.013 1.00 73.21 H new ATOM 0 HB3 ALA A 563 -3.782 -13.394 -6.674 1.00 73.21 H new ATOM 1305 N GLN A 564 -6.747 -10.954 -6.385 1.00 43.34 N ATOM 1306 CA GLN A 564 -7.616 -10.355 -7.392 1.00 31.53 C ATOM 1307 C GLN A 564 -6.935 -10.335 -8.756 1.00 53.23 C ATOM 1308 O GLN A 564 -5.708 -10.295 -8.849 1.00 1.10 O ATOM 1309 CB GLN A 564 -8.004 -8.934 -6.981 1.00 35.23 C ATOM 1310 CG GLN A 564 -9.458 -8.594 -7.266 1.00 74.21 C ATOM 1311 CD GLN A 564 -9.821 -7.183 -6.848 1.00 3.13 C ATOM 1312 OE1 GLN A 564 -9.529 -6.761 -5.728 1.00 41.33 O ATOM 1313 NE2 GLN A 564 -10.460 -6.444 -7.747 1.00 32.21 N ATOM 0 H GLN A 564 -6.558 -10.356 -5.581 1.00 43.34 H new ATOM 0 HA GLN A 564 -8.518 -10.963 -7.466 1.00 31.53 H new ATOM 0 HB2 GLN A 564 -7.812 -8.808 -5.915 1.00 35.23 H new ATOM 0 HB3 GLN A 564 -7.364 -8.225 -7.506 1.00 35.23 H new ATOM 0 HG2 GLN A 564 -9.653 -8.714 -8.332 1.00 74.21 H new ATOM 0 HG3 GLN A 564 -10.102 -9.301 -6.742 1.00 74.21 H new ATOM 0 HE21 GLN A 564 -10.682 -6.834 -8.663 1.00 32.21 H new ATOM 0 HE22 GLN A 564 -10.729 -5.486 -7.522 1.00 32.21 H new