USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 782 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 56 LYS NZ :NH3+ -159:sc= -0.0194 (180deg=-0.657) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 52 ASN : amide:sc= -4.99! C(o=-6!,f=-19!) USER MOD Set 2.2: A 68 LYS NZ :NH3+ -168:sc= -0.967! (180deg=-2.51!) USER MOD Set 3.1: A 31 THR OG1 : rot -20:sc= -1.97! USER MOD Set 3.2: A 62 ASN :FLIP amide:sc= -0.37 F(o=-5.3!,f=-2.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -123:sc= -2.35! USER MOD Single : A 17 GLN : amide:sc= -3.4! C(o=-3.4!,f=-3.3!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 169:sc= -1.37! (180deg=-1.49!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= -0.0177 (180deg=-0.319) USER MOD Single : A 32 ASN :FLIP amide:sc= -3.46! C(o=-4.9!,f=-3.5!) USER MOD Single : A 34 THR OG1 : rot -46:sc= 0.683 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -146:sc= -0.127 (180deg=-0.922) USER MOD Single : A 42 GLN :FLIP amide:sc= -9.91! C(o=-11!,f=-9.9!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.714 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 51 THR OG1 : rot 96:sc= 0.587 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.742 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.316) USER MOD Single : A 64 TYR OH : rot 150:sc= -1.33! USER MOD Single : A 66 HIS : +bothHN:sc= -4.3! C(o=-4.3!,f=-12!) USER MOD Single : A 71 LYS NZ :NH3+ -160:sc= -0.0149 (180deg=-0.508) USER MOD Single : A 72 SER OG : rot 2:sc= 0.348 USER MOD Single : A 76 GLN : amide:sc= -0.518 K(o=-0.52,f=-1.2) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.779 F(o=-2.5!,f=-0.78) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0804 X(o=-0.08,f=-0.12) USER MOD Single : A 89 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0163) USER MOD Single : A 90 ASN :FLIP amide:sc= -3.4! C(o=-4.1!,f=-3.4!) USER MOD Single : A 91 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.798) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.543 -4.225 -23.027 1.00 0.00 N ATOM 2 CA MET A 1 -12.072 -4.716 -21.723 1.00 0.00 C ATOM 3 C MET A 1 -10.917 -5.245 -20.872 1.00 0.00 C ATOM 4 O MET A 1 -10.207 -6.150 -21.267 1.00 0.00 O ATOM 5 CB MET A 1 -13.079 -5.842 -21.975 1.00 0.00 C ATOM 6 CG MET A 1 -14.174 -5.796 -20.909 1.00 0.00 C ATOM 7 SD MET A 1 -14.999 -7.405 -20.822 1.00 0.00 S ATOM 8 CE MET A 1 -16.697 -6.803 -20.982 1.00 0.00 C ATOM 0 H1 MET A 1 -12.328 -3.865 -23.607 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.858 -3.461 -22.858 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.073 -5.006 -23.527 1.00 0.00 H new ATOM 0 HA MET A 1 -12.565 -3.898 -21.197 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.518 -5.736 -22.967 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.574 -6.808 -21.951 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.743 -5.543 -19.940 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.897 -5.017 -21.149 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.386 -7.647 -20.953 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.921 -6.123 -20.160 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.808 -6.276 -21.930 1.00 0.00 H new ATOM 20 N ILE A 2 -10.721 -4.690 -19.709 1.00 0.00 N ATOM 21 CA ILE A 2 -9.610 -5.164 -18.836 1.00 0.00 C ATOM 22 C ILE A 2 -9.860 -4.710 -17.396 1.00 0.00 C ATOM 23 O ILE A 2 -9.388 -3.669 -16.985 1.00 0.00 O ATOM 24 CB ILE A 2 -8.287 -4.575 -19.329 1.00 0.00 C ATOM 25 CG1 ILE A 2 -7.168 -4.964 -18.360 1.00 0.00 C ATOM 26 CG2 ILE A 2 -8.400 -3.051 -19.393 1.00 0.00 C ATOM 27 CD1 ILE A 2 -6.193 -5.914 -19.058 1.00 0.00 C ATOM 0 H ILE A 2 -11.281 -3.929 -19.325 1.00 0.00 H new ATOM 0 HA ILE A 2 -9.562 -6.252 -18.872 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.061 -4.963 -20.322 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.642 -4.072 -18.019 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.589 -5.443 -17.476 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.458 -2.631 -19.744 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -9.199 -2.774 -20.080 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -8.624 -2.661 -18.400 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.397 -6.190 -18.367 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.724 -6.811 -19.377 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.763 -5.419 -19.928 1.00 0.00 H new ATOM 39 N PRO A 3 -10.594 -5.513 -16.670 1.00 0.00 N ATOM 40 CA PRO A 3 -10.922 -5.230 -15.263 1.00 0.00 C ATOM 41 C PRO A 3 -9.725 -5.547 -14.362 1.00 0.00 C ATOM 42 O PRO A 3 -9.245 -6.662 -14.320 1.00 0.00 O ATOM 43 CB PRO A 3 -12.097 -6.169 -14.972 1.00 0.00 C ATOM 44 CG PRO A 3 -12.010 -7.310 -16.014 1.00 0.00 C ATOM 45 CD PRO A 3 -11.162 -6.777 -17.183 1.00 0.00 C ATOM 0 HA PRO A 3 -11.167 -4.184 -15.080 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.037 -6.564 -13.958 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.047 -5.640 -15.053 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.553 -8.198 -15.578 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.004 -7.598 -16.357 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.379 -7.482 -17.461 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.770 -6.609 -18.072 1.00 0.00 H new ATOM 53 N GLY A 4 -9.242 -4.575 -13.639 1.00 0.00 N ATOM 54 CA GLY A 4 -8.080 -4.821 -12.738 1.00 0.00 C ATOM 55 C GLY A 4 -8.597 -5.233 -11.363 1.00 0.00 C ATOM 56 O GLY A 4 -8.885 -4.402 -10.526 1.00 0.00 O ATOM 0 H GLY A 4 -9.601 -3.620 -13.633 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.443 -5.603 -13.151 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.469 -3.922 -12.657 1.00 0.00 H new ATOM 60 N GLY A 5 -8.732 -6.508 -11.121 1.00 0.00 N ATOM 61 CA GLY A 5 -9.251 -6.950 -9.798 1.00 0.00 C ATOM 62 C GLY A 5 -10.478 -6.111 -9.455 1.00 0.00 C ATOM 63 O GLY A 5 -10.583 -5.553 -8.384 1.00 0.00 O ATOM 0 H GLY A 5 -8.507 -7.256 -11.777 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.512 -8.008 -9.828 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.485 -6.832 -9.032 1.00 0.00 H new ATOM 67 N LEU A 6 -11.405 -6.008 -10.367 1.00 0.00 N ATOM 68 CA LEU A 6 -12.622 -5.201 -10.113 1.00 0.00 C ATOM 69 C LEU A 6 -13.677 -6.076 -9.438 1.00 0.00 C ATOM 70 O LEU A 6 -13.367 -7.072 -8.817 1.00 0.00 O ATOM 71 CB LEU A 6 -13.156 -4.690 -11.449 1.00 0.00 C ATOM 72 CG LEU A 6 -13.734 -3.285 -11.278 1.00 0.00 C ATOM 73 CD1 LEU A 6 -12.597 -2.294 -11.019 1.00 0.00 C ATOM 74 CD2 LEU A 6 -14.477 -2.885 -12.554 1.00 0.00 C ATOM 0 H LEU A 6 -11.367 -6.454 -11.284 1.00 0.00 H new ATOM 0 HA LEU A 6 -12.386 -4.359 -9.462 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.355 -4.675 -12.188 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -13.925 -5.365 -11.825 1.00 0.00 H new ATOM 0 HG LEU A 6 -14.424 -3.274 -10.434 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -13.008 -1.292 -10.897 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -12.064 -2.580 -10.112 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -11.907 -2.303 -11.863 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -14.891 -1.883 -12.435 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -13.785 -2.895 -13.396 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -15.286 -3.592 -12.741 1.00 0.00 H new ATOM 86 N SER A 7 -14.920 -5.710 -9.550 1.00 0.00 N ATOM 87 CA SER A 7 -15.992 -6.519 -8.912 1.00 0.00 C ATOM 88 C SER A 7 -15.660 -6.715 -7.432 1.00 0.00 C ATOM 89 O SER A 7 -16.023 -5.916 -6.593 1.00 0.00 O ATOM 90 CB SER A 7 -16.082 -7.882 -9.601 1.00 0.00 C ATOM 91 OG SER A 7 -16.959 -7.788 -10.714 1.00 0.00 O ATOM 0 H SER A 7 -15.241 -4.885 -10.056 1.00 0.00 H new ATOM 0 HA SER A 7 -16.947 -6.003 -9.008 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.093 -8.203 -9.929 1.00 0.00 H new ATOM 0 HB3 SER A 7 -16.445 -8.634 -8.900 1.00 0.00 H new ATOM 0 HG SER A 7 -17.018 -8.659 -11.159 1.00 0.00 H new ATOM 97 N GLU A 8 -14.973 -7.775 -7.106 1.00 0.00 N ATOM 98 CA GLU A 8 -14.625 -8.021 -5.684 1.00 0.00 C ATOM 99 C GLU A 8 -13.294 -7.354 -5.351 1.00 0.00 C ATOM 100 O GLU A 8 -12.249 -7.962 -5.445 1.00 0.00 O ATOM 101 CB GLU A 8 -14.519 -9.528 -5.431 1.00 0.00 C ATOM 102 CG GLU A 8 -15.709 -10.240 -6.080 1.00 0.00 C ATOM 103 CD GLU A 8 -16.760 -10.554 -5.015 1.00 0.00 C ATOM 104 OE1 GLU A 8 -17.366 -9.620 -4.518 1.00 0.00 O ATOM 105 OE2 GLU A 8 -16.942 -11.723 -4.717 1.00 0.00 O ATOM 0 H GLU A 8 -14.639 -8.479 -7.764 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.406 -7.601 -5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.585 -9.911 -5.841 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.503 -9.727 -4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.142 -9.612 -6.858 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.377 -11.160 -6.561 1.00 0.00 H new ATOM 112 N ALA A 9 -13.323 -6.108 -4.961 1.00 0.00 N ATOM 113 CA ALA A 9 -12.058 -5.409 -4.621 1.00 0.00 C ATOM 114 C ALA A 9 -12.364 -4.010 -4.079 1.00 0.00 C ATOM 115 O ALA A 9 -13.331 -3.384 -4.466 1.00 0.00 O ATOM 116 CB ALA A 9 -11.207 -5.297 -5.880 1.00 0.00 C ATOM 0 H ALA A 9 -14.169 -5.547 -4.864 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.521 -5.971 -3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.274 -4.785 -5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.987 -6.294 -6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.750 -4.731 -6.637 1.00 0.00 H new ATOM 122 N LYS A 10 -11.550 -3.516 -3.184 1.00 0.00 N ATOM 123 CA LYS A 10 -11.800 -2.158 -2.619 1.00 0.00 C ATOM 124 C LYS A 10 -10.588 -1.256 -2.887 1.00 0.00 C ATOM 125 O LYS A 10 -9.542 -1.729 -3.285 1.00 0.00 O ATOM 126 CB LYS A 10 -12.038 -2.266 -1.112 1.00 0.00 C ATOM 127 CG LYS A 10 -13.509 -1.974 -0.807 1.00 0.00 C ATOM 128 CD LYS A 10 -14.275 -3.290 -0.667 1.00 0.00 C ATOM 129 CE LYS A 10 -15.168 -3.493 -1.892 1.00 0.00 C ATOM 130 NZ LYS A 10 -16.238 -4.481 -1.569 1.00 0.00 N ATOM 0 H LYS A 10 -10.725 -3.993 -2.821 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.681 -1.726 -3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.774 -3.264 -0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.398 -1.562 -0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.592 -1.394 0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.944 -1.372 -1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.577 -4.121 -0.571 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -14.880 -3.276 0.239 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.613 -2.544 -2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.573 -3.847 -2.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.846 -4.619 -2.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.804 -5.388 -1.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.811 -4.126 -0.777 1.00 0.00 H new ATOM 144 N PRO A 11 -10.774 0.023 -2.667 1.00 0.00 N ATOM 145 CA PRO A 11 -9.721 1.034 -2.885 1.00 0.00 C ATOM 146 C PRO A 11 -8.718 1.061 -1.723 1.00 0.00 C ATOM 147 O PRO A 11 -9.036 1.470 -0.625 1.00 0.00 O ATOM 148 CB PRO A 11 -10.499 2.350 -2.958 1.00 0.00 C ATOM 149 CG PRO A 11 -11.841 2.105 -2.225 1.00 0.00 C ATOM 150 CD PRO A 11 -12.054 0.579 -2.186 1.00 0.00 C ATOM 0 HA PRO A 11 -9.129 0.833 -3.778 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.940 3.158 -2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.670 2.643 -3.994 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.812 2.517 -1.216 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.662 2.597 -2.747 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.284 0.235 -1.178 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.885 0.276 -2.824 1.00 0.00 H new ATOM 158 N ALA A 12 -7.507 0.641 -1.984 1.00 0.00 N ATOM 159 CA ALA A 12 -6.432 0.636 -0.942 1.00 0.00 C ATOM 160 C ALA A 12 -7.009 0.459 0.466 1.00 0.00 C ATOM 161 O ALA A 12 -7.001 1.378 1.260 1.00 0.00 O ATOM 162 CB ALA A 12 -5.670 1.954 -0.991 1.00 0.00 C ATOM 0 H ALA A 12 -7.210 0.293 -2.896 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.770 -0.203 -1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.887 1.950 -0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.220 2.078 -1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.357 2.779 -0.800 1.00 0.00 H new ATOM 168 N THR A 13 -7.492 -0.706 0.794 1.00 0.00 N ATOM 169 CA THR A 13 -8.037 -0.914 2.165 1.00 0.00 C ATOM 170 C THR A 13 -7.058 -0.313 3.175 1.00 0.00 C ATOM 171 O THR A 13 -5.924 -0.037 2.837 1.00 0.00 O ATOM 172 CB THR A 13 -8.180 -2.412 2.441 1.00 0.00 C ATOM 173 OG1 THR A 13 -7.722 -3.152 1.321 1.00 0.00 O ATOM 174 CG2 THR A 13 -9.646 -2.745 2.719 1.00 0.00 C ATOM 0 H THR A 13 -7.533 -1.518 0.178 1.00 0.00 H new ATOM 0 HA THR A 13 -9.013 -0.436 2.250 1.00 0.00 H new ATOM 0 HB THR A 13 -7.581 -2.677 3.312 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.439 -3.738 1.001 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.746 -3.813 2.915 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.988 -2.183 3.588 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.251 -2.477 1.852 1.00 0.00 H new ATOM 182 N PRO A 14 -7.506 -0.160 4.392 1.00 0.00 N ATOM 183 CA PRO A 14 -6.658 0.364 5.471 1.00 0.00 C ATOM 184 C PRO A 14 -5.689 -0.743 5.890 1.00 0.00 C ATOM 185 O PRO A 14 -4.805 -0.556 6.703 1.00 0.00 O ATOM 186 CB PRO A 14 -7.654 0.704 6.584 1.00 0.00 C ATOM 187 CG PRO A 14 -8.919 -0.139 6.303 1.00 0.00 C ATOM 188 CD PRO A 14 -8.880 -0.503 4.805 1.00 0.00 C ATOM 0 HA PRO A 14 -6.057 1.233 5.202 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.239 0.468 7.564 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.888 1.769 6.585 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.931 -1.037 6.920 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.821 0.424 6.542 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.093 -1.560 4.645 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.620 0.061 4.237 1.00 0.00 H new ATOM 196 N GLU A 15 -5.864 -1.898 5.307 1.00 0.00 N ATOM 197 CA GLU A 15 -4.998 -3.063 5.596 1.00 0.00 C ATOM 198 C GLU A 15 -4.006 -3.212 4.450 1.00 0.00 C ATOM 199 O GLU A 15 -2.806 -3.190 4.633 1.00 0.00 O ATOM 200 CB GLU A 15 -5.891 -4.296 5.641 1.00 0.00 C ATOM 201 CG GLU A 15 -5.036 -5.563 5.609 1.00 0.00 C ATOM 202 CD GLU A 15 -5.349 -6.416 6.839 1.00 0.00 C ATOM 203 OE1 GLU A 15 -6.519 -6.654 7.091 1.00 0.00 O ATOM 204 OE2 GLU A 15 -4.412 -6.818 7.511 1.00 0.00 O ATOM 0 H GLU A 15 -6.597 -2.081 4.621 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.464 -2.940 6.538 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.500 -4.281 6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.577 -4.289 4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.238 -6.129 4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.978 -5.301 5.594 1.00 0.00 H new ATOM 211 N ILE A 16 -4.518 -3.355 3.261 1.00 0.00 N ATOM 212 CA ILE A 16 -3.636 -3.494 2.070 1.00 0.00 C ATOM 213 C ILE A 16 -2.687 -2.307 2.013 1.00 0.00 C ATOM 214 O ILE A 16 -1.519 -2.444 1.726 1.00 0.00 O ATOM 215 CB ILE A 16 -4.489 -3.504 0.803 1.00 0.00 C ATOM 216 CG1 ILE A 16 -5.471 -4.672 0.872 1.00 0.00 C ATOM 217 CG2 ILE A 16 -3.584 -3.666 -0.420 1.00 0.00 C ATOM 218 CD1 ILE A 16 -4.708 -5.993 0.732 1.00 0.00 C ATOM 0 H ILE A 16 -5.518 -3.382 3.061 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.071 -4.424 2.142 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.039 -2.567 0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.011 -4.651 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.214 -4.583 0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.192 -3.673 -1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.879 -2.836 -0.463 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.035 -4.605 -0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.410 -6.826 0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.188 -6.013 -0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.982 -6.082 1.541 1.00 0.00 H new ATOM 230 N GLN A 17 -3.184 -1.136 2.285 1.00 0.00 N ATOM 231 CA GLN A 17 -2.309 0.059 2.244 1.00 0.00 C ATOM 232 C GLN A 17 -1.077 -0.195 3.116 1.00 0.00 C ATOM 233 O GLN A 17 0.017 0.234 2.802 1.00 0.00 O ATOM 234 CB GLN A 17 -3.098 1.281 2.737 1.00 0.00 C ATOM 235 CG GLN A 17 -2.965 1.429 4.258 1.00 0.00 C ATOM 236 CD GLN A 17 -1.694 2.217 4.576 1.00 0.00 C ATOM 237 OE1 GLN A 17 -0.929 1.835 5.441 1.00 0.00 O ATOM 238 NE2 GLN A 17 -1.434 3.309 3.909 1.00 0.00 N ATOM 0 H GLN A 17 -4.157 -0.957 2.533 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.977 0.255 1.225 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.730 2.181 2.245 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.149 1.176 2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.837 1.943 4.663 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.926 0.447 4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.076 3.629 3.184 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.589 3.842 4.113 1.00 0.00 H new ATOM 247 N GLU A 18 -1.242 -0.897 4.205 1.00 0.00 N ATOM 248 CA GLU A 18 -0.074 -1.184 5.081 1.00 0.00 C ATOM 249 C GLU A 18 1.002 -1.888 4.256 1.00 0.00 C ATOM 250 O GLU A 18 2.175 -1.593 4.368 1.00 0.00 O ATOM 251 CB GLU A 18 -0.508 -2.080 6.245 1.00 0.00 C ATOM 252 CG GLU A 18 0.057 -1.529 7.554 1.00 0.00 C ATOM 253 CD GLU A 18 0.053 -2.628 8.618 1.00 0.00 C ATOM 254 OE1 GLU A 18 -0.303 -3.746 8.284 1.00 0.00 O ATOM 255 OE2 GLU A 18 0.408 -2.333 9.748 1.00 0.00 O ATOM 0 H GLU A 18 -2.131 -1.282 4.523 1.00 0.00 H new ATOM 0 HA GLU A 18 0.324 -0.252 5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.596 -2.125 6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.154 -3.099 6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.072 -1.163 7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.539 -0.681 7.891 1.00 0.00 H new ATOM 262 N ILE A 19 0.615 -2.807 3.411 1.00 0.00 N ATOM 263 CA ILE A 19 1.623 -3.504 2.566 1.00 0.00 C ATOM 264 C ILE A 19 2.354 -2.447 1.744 1.00 0.00 C ATOM 265 O ILE A 19 3.548 -2.510 1.531 1.00 0.00 O ATOM 266 CB ILE A 19 0.918 -4.506 1.636 1.00 0.00 C ATOM 267 CG1 ILE A 19 1.871 -5.661 1.325 1.00 0.00 C ATOM 268 CG2 ILE A 19 0.500 -3.832 0.318 1.00 0.00 C ATOM 269 CD1 ILE A 19 3.095 -5.126 0.577 1.00 0.00 C ATOM 0 H ILE A 19 -0.351 -3.103 3.271 1.00 0.00 H new ATOM 0 HA ILE A 19 2.331 -4.054 3.187 1.00 0.00 H new ATOM 0 HB ILE A 19 0.024 -4.875 2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.181 -6.149 2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.363 -6.413 0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.004 -4.561 -0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.184 -3.011 0.530 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.384 -3.446 -0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.774 -5.949 0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.776 -4.658 -0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.607 -4.390 1.197 1.00 0.00 H new ATOM 281 N VAL A 20 1.626 -1.467 1.291 1.00 0.00 N ATOM 282 CA VAL A 20 2.238 -0.379 0.488 1.00 0.00 C ATOM 283 C VAL A 20 3.214 0.384 1.384 1.00 0.00 C ATOM 284 O VAL A 20 4.193 0.927 0.928 1.00 0.00 O ATOM 285 CB VAL A 20 1.122 0.543 -0.015 1.00 0.00 C ATOM 286 CG1 VAL A 20 1.682 1.926 -0.374 1.00 0.00 C ATOM 287 CG2 VAL A 20 0.476 -0.083 -1.254 1.00 0.00 C ATOM 0 H VAL A 20 0.622 -1.374 1.446 1.00 0.00 H new ATOM 0 HA VAL A 20 2.779 -0.775 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 20 0.381 0.664 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.873 2.565 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.138 2.374 0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.433 1.822 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.319 0.568 -1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.228 -0.207 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.059 -1.056 -0.994 1.00 0.00 H new ATOM 297 N ASP A 21 2.957 0.411 2.662 1.00 0.00 N ATOM 298 CA ASP A 21 3.876 1.122 3.596 1.00 0.00 C ATOM 299 C ASP A 21 4.838 0.114 4.236 1.00 0.00 C ATOM 300 O ASP A 21 5.671 0.467 5.048 1.00 0.00 O ATOM 301 CB ASP A 21 3.057 1.807 4.693 1.00 0.00 C ATOM 302 CG ASP A 21 3.674 3.168 5.017 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.756 3.439 4.521 1.00 0.00 O ATOM 304 OD2 ASP A 21 3.054 3.917 5.753 1.00 0.00 O ATOM 0 H ASP A 21 2.149 -0.029 3.101 1.00 0.00 H new ATOM 0 HA ASP A 21 4.446 1.869 3.044 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.025 1.933 4.366 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.035 1.184 5.587 1.00 0.00 H new ATOM 309 N LYS A 22 4.729 -1.139 3.882 1.00 0.00 N ATOM 310 CA LYS A 22 5.637 -2.165 4.475 1.00 0.00 C ATOM 311 C LYS A 22 6.718 -2.546 3.459 1.00 0.00 C ATOM 312 O LYS A 22 7.875 -2.213 3.619 1.00 0.00 O ATOM 313 CB LYS A 22 4.828 -3.408 4.849 1.00 0.00 C ATOM 314 CG LYS A 22 5.057 -3.740 6.325 1.00 0.00 C ATOM 315 CD LYS A 22 3.713 -3.767 7.058 1.00 0.00 C ATOM 316 CE LYS A 22 3.874 -4.502 8.391 1.00 0.00 C ATOM 317 NZ LYS A 22 2.975 -5.691 8.416 1.00 0.00 N ATOM 0 H LYS A 22 4.051 -1.497 3.209 1.00 0.00 H new ATOM 0 HA LYS A 22 6.109 -1.755 5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.768 -3.234 4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.126 -4.251 4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.553 -4.706 6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.715 -2.998 6.778 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.361 -2.750 7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.962 -4.264 6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.910 -4.814 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.634 -3.834 9.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.085 -6.190 9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.988 -5.382 8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.225 -6.331 7.635 1.00 0.00 H new ATOM 331 N VAL A 23 6.351 -3.236 2.412 1.00 0.00 N ATOM 332 CA VAL A 23 7.355 -3.630 1.387 1.00 0.00 C ATOM 333 C VAL A 23 7.552 -2.474 0.411 1.00 0.00 C ATOM 334 O VAL A 23 8.429 -2.497 -0.430 1.00 0.00 O ATOM 335 CB VAL A 23 6.849 -4.852 0.629 1.00 0.00 C ATOM 336 CG1 VAL A 23 7.683 -5.056 -0.634 1.00 0.00 C ATOM 337 CG2 VAL A 23 6.980 -6.079 1.525 1.00 0.00 C ATOM 0 H VAL A 23 5.397 -3.543 2.224 1.00 0.00 H new ATOM 0 HA VAL A 23 8.302 -3.868 1.871 1.00 0.00 H new ATOM 0 HB VAL A 23 5.806 -4.704 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.319 -5.930 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.600 -4.176 -1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.727 -5.208 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.620 -6.959 0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.026 -6.221 1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.387 -5.935 2.428 1.00 0.00 H new ATOM 347 N LYS A 24 6.741 -1.461 0.518 1.00 0.00 N ATOM 348 CA LYS A 24 6.875 -0.301 -0.395 1.00 0.00 C ATOM 349 C LYS A 24 6.898 0.986 0.437 1.00 0.00 C ATOM 350 O LYS A 24 6.127 1.892 0.192 1.00 0.00 O ATOM 351 CB LYS A 24 5.683 -0.272 -1.362 1.00 0.00 C ATOM 352 CG LYS A 24 5.180 -1.699 -1.614 1.00 0.00 C ATOM 353 CD LYS A 24 4.996 -1.923 -3.116 1.00 0.00 C ATOM 354 CE LYS A 24 5.333 -3.377 -3.454 1.00 0.00 C ATOM 355 NZ LYS A 24 5.266 -3.575 -4.930 1.00 0.00 N ATOM 0 H LYS A 24 5.988 -1.389 1.203 1.00 0.00 H new ATOM 0 HA LYS A 24 7.798 -0.383 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.881 0.337 -0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.979 0.190 -2.304 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.891 -2.422 -1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.235 -1.859 -1.094 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.970 -1.698 -3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.641 -1.248 -3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.330 -3.624 -3.088 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.635 -4.048 -2.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.672 -4.501 -5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.274 -3.539 -5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.806 -2.824 -5.406 1.00 0.00 H new ATOM 369 N PRO A 25 7.792 1.033 1.402 1.00 0.00 N ATOM 370 CA PRO A 25 7.934 2.202 2.291 1.00 0.00 C ATOM 371 C PRO A 25 8.598 3.358 1.549 1.00 0.00 C ATOM 372 O PRO A 25 8.855 4.404 2.112 1.00 0.00 O ATOM 373 CB PRO A 25 8.824 1.691 3.426 1.00 0.00 C ATOM 374 CG PRO A 25 9.592 0.476 2.857 1.00 0.00 C ATOM 375 CD PRO A 25 8.745 -0.059 1.688 1.00 0.00 C ATOM 0 HA PRO A 25 6.979 2.584 2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.514 2.466 3.759 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.226 1.403 4.291 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.585 0.768 2.516 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.730 -0.290 3.620 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.363 -0.286 0.819 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.227 -0.979 1.960 1.00 0.00 H new ATOM 383 N GLN A 26 8.848 3.194 0.282 1.00 0.00 N ATOM 384 CA GLN A 26 9.453 4.287 -0.502 1.00 0.00 C ATOM 385 C GLN A 26 8.475 4.579 -1.608 1.00 0.00 C ATOM 386 O GLN A 26 8.053 5.685 -1.803 1.00 0.00 O ATOM 387 CB GLN A 26 10.795 3.836 -1.083 1.00 0.00 C ATOM 388 CG GLN A 26 11.793 3.609 0.053 1.00 0.00 C ATOM 389 CD GLN A 26 12.620 2.356 -0.241 1.00 0.00 C ATOM 390 OE1 GLN A 26 12.127 1.250 -0.138 1.00 0.00 O ATOM 391 NE2 GLN A 26 13.866 2.482 -0.605 1.00 0.00 N ATOM 0 H GLN A 26 8.655 2.341 -0.242 1.00 0.00 H new ATOM 0 HA GLN A 26 9.645 5.169 0.109 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.665 2.918 -1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.177 4.590 -1.771 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.448 4.475 0.155 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.264 3.496 0.999 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.281 3.410 -0.692 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.426 1.653 -0.803 1.00 0.00 H new ATOM 400 N LEU A 27 8.066 3.556 -2.288 1.00 0.00 N ATOM 401 CA LEU A 27 7.072 3.710 -3.366 1.00 0.00 C ATOM 402 C LEU A 27 5.759 4.239 -2.771 1.00 0.00 C ATOM 403 O LEU A 27 4.854 4.639 -3.476 1.00 0.00 O ATOM 404 CB LEU A 27 6.852 2.323 -3.971 1.00 0.00 C ATOM 405 CG LEU A 27 8.209 1.696 -4.326 1.00 0.00 C ATOM 406 CD1 LEU A 27 8.067 0.180 -4.462 1.00 0.00 C ATOM 407 CD2 LEU A 27 8.707 2.291 -5.644 1.00 0.00 C ATOM 0 H LEU A 27 8.387 2.600 -2.137 1.00 0.00 H new ATOM 0 HA LEU A 27 7.414 4.412 -4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.320 1.687 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.230 2.398 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 27 8.926 1.910 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.034 -0.255 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.715 -0.239 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.350 -0.049 -5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.670 1.850 -5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.987 2.078 -6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.819 3.370 -5.537 1.00 0.00 H new ATOM 419 N GLU A 28 5.653 4.221 -1.469 1.00 0.00 N ATOM 420 CA GLU A 28 4.411 4.694 -0.785 1.00 0.00 C ATOM 421 C GLU A 28 4.519 6.170 -0.383 1.00 0.00 C ATOM 422 O GLU A 28 3.534 6.795 -0.044 1.00 0.00 O ATOM 423 CB GLU A 28 4.183 3.852 0.469 1.00 0.00 C ATOM 424 CG GLU A 28 3.060 4.468 1.305 1.00 0.00 C ATOM 425 CD GLU A 28 3.661 5.372 2.382 1.00 0.00 C ATOM 426 OE1 GLU A 28 4.861 5.591 2.342 1.00 0.00 O ATOM 427 OE2 GLU A 28 2.911 5.831 3.229 1.00 0.00 O ATOM 0 H GLU A 28 6.386 3.893 -0.839 1.00 0.00 H new ATOM 0 HA GLU A 28 3.577 4.589 -1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.924 2.830 0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.100 3.800 1.056 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.390 5.043 0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.463 3.682 1.767 1.00 0.00 H new ATOM 434 N GLU A 29 5.693 6.735 -0.402 1.00 0.00 N ATOM 435 CA GLU A 29 5.828 8.167 -0.003 1.00 0.00 C ATOM 436 C GLU A 29 6.881 8.801 -0.893 1.00 0.00 C ATOM 437 O GLU A 29 7.465 9.819 -0.579 1.00 0.00 O ATOM 438 CB GLU A 29 6.260 8.260 1.462 1.00 0.00 C ATOM 439 CG GLU A 29 7.715 7.806 1.597 1.00 0.00 C ATOM 440 CD GLU A 29 7.983 7.380 3.042 1.00 0.00 C ATOM 441 OE1 GLU A 29 7.227 6.568 3.549 1.00 0.00 O ATOM 442 OE2 GLU A 29 8.939 7.875 3.617 1.00 0.00 O ATOM 0 H GLU A 29 6.561 6.273 -0.674 1.00 0.00 H new ATOM 0 HA GLU A 29 4.875 8.684 -0.114 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.153 9.284 1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.615 7.638 2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.913 6.976 0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.388 8.616 1.314 1.00 0.00 H new ATOM 449 N LYS A 30 7.119 8.184 -2.005 1.00 0.00 N ATOM 450 CA LYS A 30 8.119 8.690 -2.960 1.00 0.00 C ATOM 451 C LYS A 30 7.425 9.635 -3.913 1.00 0.00 C ATOM 452 O LYS A 30 7.763 10.795 -4.015 1.00 0.00 O ATOM 453 CB LYS A 30 8.658 7.487 -3.712 1.00 0.00 C ATOM 454 CG LYS A 30 10.105 7.736 -4.136 1.00 0.00 C ATOM 455 CD LYS A 30 10.195 7.741 -5.664 1.00 0.00 C ATOM 456 CE LYS A 30 10.043 6.311 -6.188 1.00 0.00 C ATOM 457 NZ LYS A 30 11.284 5.540 -5.892 1.00 0.00 N ATOM 0 H LYS A 30 6.648 7.328 -2.297 1.00 0.00 H new ATOM 0 HA LYS A 30 8.932 9.220 -2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.604 6.600 -3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.042 7.292 -4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.453 8.689 -3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.754 6.962 -3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.416 8.378 -6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.151 8.156 -5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.183 5.830 -5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.857 6.323 -7.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.343 4.720 -6.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.114 6.150 -6.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.262 5.212 -4.905 1.00 0.00 H new ATOM 471 N THR A 31 6.428 9.152 -4.580 1.00 0.00 N ATOM 472 CA THR A 31 5.670 10.025 -5.496 1.00 0.00 C ATOM 473 C THR A 31 5.320 11.292 -4.720 1.00 0.00 C ATOM 474 O THR A 31 5.159 12.359 -5.278 1.00 0.00 O ATOM 475 CB THR A 31 4.409 9.282 -5.932 1.00 0.00 C ATOM 476 OG1 THR A 31 3.878 9.886 -7.104 1.00 0.00 O ATOM 477 CG2 THR A 31 3.366 9.318 -4.812 1.00 0.00 C ATOM 0 H THR A 31 6.104 8.186 -4.530 1.00 0.00 H new ATOM 0 HA THR A 31 6.241 10.287 -6.387 1.00 0.00 H new ATOM 0 HB THR A 31 4.663 8.244 -6.146 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.225 10.799 -7.187 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.470 8.786 -5.132 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.773 8.841 -3.920 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.111 10.353 -4.585 1.00 0.00 H new ATOM 485 N ASN A 32 5.230 11.161 -3.417 1.00 0.00 N ATOM 486 CA ASN A 32 4.920 12.326 -2.545 1.00 0.00 C ATOM 487 C ASN A 32 3.924 13.246 -3.259 1.00 0.00 C ATOM 488 O ASN A 32 4.139 14.432 -3.414 1.00 0.00 O ATOM 489 CB ASN A 32 6.239 13.053 -2.216 1.00 0.00 C ATOM 490 CG ASN A 32 6.597 14.066 -3.310 1.00 0.00 C ATOM 491 OD1 ASN A 32 7.062 13.647 -4.455 1.00 0.00 O flip ATOM 492 ND2 ASN A 32 6.450 15.258 -3.118 1.00 0.00 N flip ATOM 0 H ASN A 32 5.361 10.280 -2.919 1.00 0.00 H new ATOM 0 HA ASN A 32 4.459 12.004 -1.611 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.147 13.565 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.043 12.325 -2.113 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.087 15.590 -2.224 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.690 15.926 -3.851 1.00 0.00 H new ATOM 499 N GLU A 33 2.823 12.701 -3.702 1.00 0.00 N ATOM 500 CA GLU A 33 1.826 13.545 -4.416 1.00 0.00 C ATOM 501 C GLU A 33 0.889 14.214 -3.412 1.00 0.00 C ATOM 502 O GLU A 33 0.740 13.769 -2.292 1.00 0.00 O ATOM 503 CB GLU A 33 1.010 12.673 -5.371 1.00 0.00 C ATOM 504 CG GLU A 33 1.133 13.227 -6.793 1.00 0.00 C ATOM 505 CD GLU A 33 2.566 13.040 -7.291 1.00 0.00 C ATOM 506 OE1 GLU A 33 3.476 13.445 -6.588 1.00 0.00 O ATOM 507 OE2 GLU A 33 2.731 12.490 -8.369 1.00 0.00 O ATOM 0 H GLU A 33 2.573 11.717 -3.601 1.00 0.00 H new ATOM 0 HA GLU A 33 2.352 14.315 -4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.368 11.644 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.036 12.657 -5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.436 12.714 -7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.867 14.284 -6.807 1.00 0.00 H new ATOM 514 N THR A 34 0.247 15.279 -3.813 1.00 0.00 N ATOM 515 CA THR A 34 -0.693 15.975 -2.892 1.00 0.00 C ATOM 516 C THR A 34 -2.088 15.383 -3.067 1.00 0.00 C ATOM 517 O THR A 34 -3.090 16.045 -2.887 1.00 0.00 O ATOM 518 CB THR A 34 -0.720 17.472 -3.216 1.00 0.00 C ATOM 519 OG1 THR A 34 -1.517 18.152 -2.258 1.00 0.00 O ATOM 520 CG2 THR A 34 -1.311 17.675 -4.611 1.00 0.00 C ATOM 0 H THR A 34 0.334 15.696 -4.740 1.00 0.00 H new ATOM 0 HA THR A 34 -0.365 15.842 -1.861 1.00 0.00 H new ATOM 0 HB THR A 34 0.294 17.870 -3.187 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.351 17.658 -2.116 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.332 18.739 -4.846 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.697 17.153 -5.346 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.326 17.277 -4.638 1.00 0.00 H new ATOM 528 N TYR A 35 -2.150 14.129 -3.406 1.00 0.00 N ATOM 529 CA TYR A 35 -3.465 13.457 -3.587 1.00 0.00 C ATOM 530 C TYR A 35 -3.472 12.173 -2.770 1.00 0.00 C ATOM 531 O TYR A 35 -2.541 11.879 -2.045 1.00 0.00 O ATOM 532 CB TYR A 35 -3.678 13.090 -5.060 1.00 0.00 C ATOM 533 CG TYR A 35 -3.034 14.126 -5.951 1.00 0.00 C ATOM 534 CD1 TYR A 35 -3.585 15.409 -6.042 1.00 0.00 C ATOM 535 CD2 TYR A 35 -1.893 13.800 -6.692 1.00 0.00 C ATOM 536 CE1 TYR A 35 -2.995 16.368 -6.873 1.00 0.00 C ATOM 537 CE2 TYR A 35 -1.300 14.760 -7.522 1.00 0.00 C ATOM 538 CZ TYR A 35 -1.851 16.044 -7.614 1.00 0.00 C ATOM 539 OH TYR A 35 -1.269 16.989 -8.433 1.00 0.00 O ATOM 0 H TYR A 35 -1.338 13.534 -3.567 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.257 14.132 -3.263 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.251 12.108 -5.264 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.744 13.025 -5.276 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.466 15.659 -5.470 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.470 12.809 -6.624 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.421 17.358 -6.943 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.417 14.510 -8.091 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.484 16.601 -8.874 1.00 0.00 H new ATOM 549 N GLY A 36 -4.501 11.392 -2.896 1.00 0.00 N ATOM 550 CA GLY A 36 -4.552 10.113 -2.148 1.00 0.00 C ATOM 551 C GLY A 36 -4.100 8.992 -3.079 1.00 0.00 C ATOM 552 O GLY A 36 -4.888 8.166 -3.497 1.00 0.00 O ATOM 0 H GLY A 36 -5.311 11.584 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.907 10.161 -1.271 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.564 9.923 -1.790 1.00 0.00 H new ATOM 556 N LYS A 37 -2.834 8.942 -3.405 1.00 0.00 N ATOM 557 CA LYS A 37 -2.351 7.869 -4.297 1.00 0.00 C ATOM 558 C LYS A 37 -1.035 7.369 -3.720 1.00 0.00 C ATOM 559 O LYS A 37 -0.182 6.861 -4.395 1.00 0.00 O ATOM 560 CB LYS A 37 -2.140 8.417 -5.708 1.00 0.00 C ATOM 561 CG LYS A 37 -3.494 8.580 -6.404 1.00 0.00 C ATOM 562 CD LYS A 37 -3.561 9.955 -7.072 1.00 0.00 C ATOM 563 CE LYS A 37 -4.778 10.720 -6.546 1.00 0.00 C ATOM 564 NZ LYS A 37 -6.010 9.910 -6.773 1.00 0.00 N ATOM 0 H LYS A 37 -2.122 9.600 -3.088 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.076 7.058 -4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.625 9.377 -5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.505 7.741 -6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.629 7.795 -7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.302 8.476 -5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.649 10.516 -6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.629 9.842 -8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.658 10.929 -5.483 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.863 11.681 -7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.809 10.543 -6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.861 9.270 -7.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.220 9.351 -5.921 1.00 0.00 H new ATOM 578 N LEU A 38 -0.876 7.535 -2.453 1.00 0.00 N ATOM 579 CA LEU A 38 0.361 7.121 -1.775 1.00 0.00 C ATOM 580 C LEU A 38 0.016 5.954 -0.870 1.00 0.00 C ATOM 581 O LEU A 38 0.104 6.038 0.340 1.00 0.00 O ATOM 582 CB LEU A 38 0.789 8.294 -0.929 1.00 0.00 C ATOM 583 CG LEU A 38 1.350 9.432 -1.804 1.00 0.00 C ATOM 584 CD1 LEU A 38 2.873 9.335 -1.822 1.00 0.00 C ATOM 585 CD2 LEU A 38 0.844 9.349 -3.249 1.00 0.00 C ATOM 0 H LEU A 38 -1.575 7.954 -1.840 1.00 0.00 H new ATOM 0 HA LEU A 38 1.147 6.831 -2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.060 8.659 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.546 7.974 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 38 1.014 10.377 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.281 10.136 -2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.256 9.429 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.171 8.371 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.264 10.170 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.151 8.400 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.244 9.418 -3.258 1.00 0.00 H new ATOM 597 N GLU A 39 -0.435 4.888 -1.441 1.00 0.00 N ATOM 598 CA GLU A 39 -0.856 3.738 -0.619 1.00 0.00 C ATOM 599 C GLU A 39 -1.322 2.640 -1.576 1.00 0.00 C ATOM 600 O GLU A 39 -1.219 2.779 -2.778 1.00 0.00 O ATOM 601 CB GLU A 39 -1.998 4.239 0.299 1.00 0.00 C ATOM 602 CG GLU A 39 -3.309 3.473 0.067 1.00 0.00 C ATOM 603 CD GLU A 39 -4.466 4.245 0.704 1.00 0.00 C ATOM 604 OE1 GLU A 39 -4.678 5.382 0.319 1.00 0.00 O ATOM 605 OE2 GLU A 39 -5.119 3.687 1.572 1.00 0.00 O ATOM 0 H GLU A 39 -0.531 4.762 -2.449 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.058 3.332 0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.697 4.133 1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.164 5.302 0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.486 3.347 -1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.241 2.475 0.499 1.00 0.00 H new ATOM 612 N ALA A 40 -1.846 1.565 -1.084 1.00 0.00 N ATOM 613 CA ALA A 40 -2.320 0.524 -2.022 1.00 0.00 C ATOM 614 C ALA A 40 -3.305 1.180 -2.993 1.00 0.00 C ATOM 615 O ALA A 40 -3.838 2.238 -2.733 1.00 0.00 O ATOM 616 CB ALA A 40 -3.019 -0.596 -1.252 1.00 0.00 C ATOM 0 H ALA A 40 -1.966 1.362 -0.092 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.479 0.093 -2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.364 -1.358 -1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.320 -1.043 -0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.872 -0.188 -0.710 1.00 0.00 H new ATOM 622 N VAL A 41 -3.550 0.559 -4.103 1.00 0.00 N ATOM 623 CA VAL A 41 -4.505 1.129 -5.092 1.00 0.00 C ATOM 624 C VAL A 41 -5.823 0.392 -4.929 1.00 0.00 C ATOM 625 O VAL A 41 -6.892 0.922 -5.154 1.00 0.00 O ATOM 626 CB VAL A 41 -3.940 0.926 -6.515 1.00 0.00 C ATOM 627 CG1 VAL A 41 -4.783 -0.066 -7.300 1.00 0.00 C ATOM 628 CG2 VAL A 41 -3.939 2.252 -7.271 1.00 0.00 C ATOM 0 H VAL A 41 -3.127 -0.329 -4.375 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.654 2.197 -4.932 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.925 0.542 -6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.363 -0.190 -8.298 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.787 -1.027 -6.786 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.804 0.307 -7.380 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.539 2.099 -8.273 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.958 2.632 -7.341 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.319 2.974 -6.739 1.00 0.00 H new ATOM 638 N GLN A 42 -5.733 -0.844 -4.555 1.00 0.00 N ATOM 639 CA GLN A 42 -6.960 -1.657 -4.391 1.00 0.00 C ATOM 640 C GLN A 42 -6.558 -3.119 -4.231 1.00 0.00 C ATOM 641 O GLN A 42 -5.453 -3.512 -4.549 1.00 0.00 O ATOM 642 CB GLN A 42 -7.854 -1.448 -5.636 1.00 0.00 C ATOM 643 CG GLN A 42 -8.389 -2.786 -6.188 1.00 0.00 C ATOM 644 CD GLN A 42 -7.250 -3.532 -6.886 1.00 0.00 C ATOM 645 OE1 GLN A 42 -6.988 -4.757 -6.529 1.00 0.00 O flip ATOM 646 NE2 GLN A 42 -6.598 -2.998 -7.760 1.00 0.00 N flip ATOM 0 H GLN A 42 -4.859 -1.330 -4.354 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.521 -1.357 -3.506 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.692 -0.800 -5.377 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.284 -0.937 -6.412 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.794 -3.392 -5.377 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.204 -2.605 -6.888 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.806 -2.039 -8.037 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.843 -3.509 -8.217 1.00 0.00 H new ATOM 655 N TYR A 43 -7.452 -3.926 -3.753 1.00 0.00 N ATOM 656 CA TYR A 43 -7.134 -5.358 -3.585 1.00 0.00 C ATOM 657 C TYR A 43 -8.374 -6.176 -3.908 1.00 0.00 C ATOM 658 O TYR A 43 -9.380 -6.094 -3.230 1.00 0.00 O ATOM 659 CB TYR A 43 -6.714 -5.623 -2.153 1.00 0.00 C ATOM 660 CG TYR A 43 -7.890 -5.378 -1.239 1.00 0.00 C ATOM 661 CD1 TYR A 43 -8.449 -4.097 -1.139 1.00 0.00 C ATOM 662 CD2 TYR A 43 -8.426 -6.434 -0.499 1.00 0.00 C ATOM 663 CE1 TYR A 43 -9.547 -3.879 -0.296 1.00 0.00 C ATOM 664 CE2 TYR A 43 -9.522 -6.217 0.344 1.00 0.00 C ATOM 665 CZ TYR A 43 -10.082 -4.939 0.444 1.00 0.00 C ATOM 666 OH TYR A 43 -11.165 -4.726 1.274 1.00 0.00 O ATOM 0 H TYR A 43 -8.393 -3.653 -3.471 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.319 -5.636 -4.254 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.364 -6.650 -2.048 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.883 -4.973 -1.879 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -8.035 -3.280 -1.710 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.994 -7.421 -0.577 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.980 -2.893 -0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -9.935 -7.035 0.916 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.411 -5.567 1.713 1.00 0.00 H new ATOM 676 N LYS A 44 -8.316 -6.964 -4.937 1.00 0.00 N ATOM 677 CA LYS A 44 -9.495 -7.780 -5.294 1.00 0.00 C ATOM 678 C LYS A 44 -9.328 -9.155 -4.653 1.00 0.00 C ATOM 679 O LYS A 44 -8.251 -9.709 -4.628 1.00 0.00 O ATOM 680 CB LYS A 44 -9.620 -7.870 -6.831 1.00 0.00 C ATOM 681 CG LYS A 44 -9.687 -9.325 -7.325 1.00 0.00 C ATOM 682 CD LYS A 44 -11.092 -9.889 -7.085 1.00 0.00 C ATOM 683 CE LYS A 44 -12.108 -9.124 -7.934 1.00 0.00 C ATOM 684 NZ LYS A 44 -12.565 -9.987 -9.061 1.00 0.00 N ATOM 0 H LYS A 44 -7.504 -7.077 -5.544 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.414 -7.327 -4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.515 -7.337 -7.153 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.768 -7.370 -7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.443 -9.370 -8.386 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.947 -9.931 -6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.117 -10.949 -7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.351 -9.808 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.959 -8.827 -7.321 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.659 -8.209 -8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.256 -9.467 -9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.749 -10.250 -9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.009 -10.847 -8.681 1.00 0.00 H new ATOM 698 N THR A 45 -10.373 -9.710 -4.128 1.00 0.00 N ATOM 699 CA THR A 45 -10.239 -11.044 -3.489 1.00 0.00 C ATOM 700 C THR A 45 -10.892 -12.112 -4.361 1.00 0.00 C ATOM 701 O THR A 45 -12.050 -12.027 -4.718 1.00 0.00 O ATOM 702 CB THR A 45 -10.916 -11.032 -2.117 1.00 0.00 C ATOM 703 OG1 THR A 45 -11.752 -9.887 -2.013 1.00 0.00 O ATOM 704 CG2 THR A 45 -9.856 -10.993 -1.016 1.00 0.00 C ATOM 0 H THR A 45 -11.309 -9.305 -4.111 1.00 0.00 H new ATOM 0 HA THR A 45 -9.179 -11.271 -3.373 1.00 0.00 H new ATOM 0 HB THR A 45 -11.517 -11.935 -2.004 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.188 -9.879 -1.135 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.344 -10.985 -0.041 1.00 0.00 H new ATOM 0 HG22 THR A 45 -9.217 -11.873 -1.095 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.250 -10.094 -1.126 1.00 0.00 H new ATOM 712 N GLN A 46 -10.148 -13.127 -4.684 1.00 0.00 N ATOM 713 CA GLN A 46 -10.690 -14.234 -5.513 1.00 0.00 C ATOM 714 C GLN A 46 -10.024 -15.523 -5.050 1.00 0.00 C ATOM 715 O GLN A 46 -8.817 -15.643 -5.078 1.00 0.00 O ATOM 716 CB GLN A 46 -10.372 -13.987 -6.990 1.00 0.00 C ATOM 717 CG GLN A 46 -9.048 -13.232 -7.111 1.00 0.00 C ATOM 718 CD GLN A 46 -8.523 -13.351 -8.544 1.00 0.00 C ATOM 719 OE1 GLN A 46 -9.354 -13.641 -9.509 1.00 0.00 O flip ATOM 720 NE2 GLN A 46 -7.346 -13.177 -8.788 1.00 0.00 N flip ATOM 0 H GLN A 46 -9.173 -13.239 -4.405 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.773 -14.299 -5.403 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.311 -14.936 -7.523 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -11.174 -13.412 -7.454 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.190 -12.183 -6.850 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.319 -13.639 -6.410 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.697 -12.950 -8.034 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.007 -13.257 -9.747 1.00 0.00 H new ATOM 729 N VAL A 47 -10.793 -16.475 -4.599 1.00 0.00 N ATOM 730 CA VAL A 47 -10.199 -17.750 -4.107 1.00 0.00 C ATOM 731 C VAL A 47 -9.332 -18.378 -5.185 1.00 0.00 C ATOM 732 O VAL A 47 -8.825 -17.705 -6.057 1.00 0.00 O ATOM 733 CB VAL A 47 -11.320 -18.704 -3.662 1.00 0.00 C ATOM 734 CG1 VAL A 47 -11.770 -19.587 -4.827 1.00 0.00 C ATOM 735 CG2 VAL A 47 -10.817 -19.588 -2.520 1.00 0.00 C ATOM 0 H VAL A 47 -11.811 -16.425 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.561 -17.546 -3.247 1.00 0.00 H new ATOM 0 HB VAL A 47 -12.169 -18.109 -3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.564 -20.255 -4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.142 -18.959 -5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.926 -20.177 -5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.612 -20.264 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.960 -20.170 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.519 -18.962 -1.679 1.00 0.00 H new ATOM 745 N VAL A 48 -9.126 -19.659 -5.094 1.00 0.00 N ATOM 746 CA VAL A 48 -8.255 -20.354 -6.073 1.00 0.00 C ATOM 747 C VAL A 48 -7.993 -21.760 -5.539 1.00 0.00 C ATOM 748 O VAL A 48 -8.192 -22.759 -6.200 1.00 0.00 O ATOM 749 CB VAL A 48 -6.933 -19.553 -6.183 1.00 0.00 C ATOM 750 CG1 VAL A 48 -5.774 -20.232 -5.444 1.00 0.00 C ATOM 751 CG2 VAL A 48 -6.567 -19.370 -7.654 1.00 0.00 C ATOM 0 H VAL A 48 -9.529 -20.260 -4.375 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.715 -20.422 -7.059 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.097 -18.585 -5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.871 -19.631 -5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.022 -20.327 -4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.603 -21.222 -5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.637 -18.806 -7.730 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.439 -20.346 -8.121 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.363 -18.826 -8.162 1.00 0.00 H new ATOM 761 N ALA A 49 -7.526 -21.793 -4.331 1.00 0.00 N ATOM 762 CA ALA A 49 -7.184 -23.060 -3.635 1.00 0.00 C ATOM 763 C ALA A 49 -6.368 -22.660 -2.412 1.00 0.00 C ATOM 764 O ALA A 49 -5.290 -23.155 -2.170 1.00 0.00 O ATOM 765 CB ALA A 49 -6.334 -23.951 -4.545 1.00 0.00 C ATOM 0 H ALA A 49 -7.359 -20.957 -3.771 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.081 -23.616 -3.364 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.090 -24.876 -4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.892 -24.182 -5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.414 -23.429 -4.808 1.00 0.00 H new ATOM 771 N GLY A 50 -6.879 -21.719 -1.675 1.00 0.00 N ATOM 772 CA GLY A 50 -6.168 -21.194 -0.478 1.00 0.00 C ATOM 773 C GLY A 50 -6.628 -19.750 -0.293 1.00 0.00 C ATOM 774 O GLY A 50 -6.688 -19.241 0.807 1.00 0.00 O ATOM 0 H GLY A 50 -7.782 -21.280 -1.856 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.402 -21.791 0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.088 -21.241 -0.618 1.00 0.00 H new ATOM 778 N THR A 51 -6.973 -19.125 -1.401 1.00 0.00 N ATOM 779 CA THR A 51 -7.484 -17.716 -1.432 1.00 0.00 C ATOM 780 C THR A 51 -6.506 -16.814 -2.188 1.00 0.00 C ATOM 781 O THR A 51 -5.470 -16.435 -1.673 1.00 0.00 O ATOM 782 CB THR A 51 -7.683 -17.162 -0.027 1.00 0.00 C ATOM 783 OG1 THR A 51 -8.614 -17.973 0.677 1.00 0.00 O ATOM 784 CG2 THR A 51 -8.216 -15.731 -0.122 1.00 0.00 C ATOM 0 H THR A 51 -6.917 -19.558 -2.323 1.00 0.00 H new ATOM 0 HA THR A 51 -8.448 -17.731 -1.941 1.00 0.00 H new ATOM 0 HB THR A 51 -6.732 -17.163 0.506 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.130 -18.627 1.223 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.360 -15.329 0.881 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.500 -15.111 -0.662 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.168 -15.732 -0.653 1.00 0.00 H new ATOM 792 N ASN A 52 -6.829 -16.462 -3.406 1.00 0.00 N ATOM 793 CA ASN A 52 -5.919 -15.578 -4.191 1.00 0.00 C ATOM 794 C ASN A 52 -6.147 -14.107 -3.809 1.00 0.00 C ATOM 795 O ASN A 52 -7.238 -13.713 -3.447 1.00 0.00 O ATOM 796 CB ASN A 52 -6.222 -15.746 -5.678 1.00 0.00 C ATOM 797 CG ASN A 52 -4.913 -15.787 -6.467 1.00 0.00 C ATOM 798 OD1 ASN A 52 -4.287 -14.769 -6.677 1.00 0.00 O ATOM 799 ND2 ASN A 52 -4.473 -16.930 -6.918 1.00 0.00 N ATOM 0 H ASN A 52 -7.681 -16.748 -3.889 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.886 -15.853 -3.976 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.787 -16.664 -5.843 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.844 -14.922 -6.028 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.602 -16.968 -7.448 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.000 -17.785 -6.741 1.00 0.00 H new ATOM 806 N TYR A 53 -5.130 -13.289 -3.913 1.00 0.00 N ATOM 807 CA TYR A 53 -5.294 -11.837 -3.589 1.00 0.00 C ATOM 808 C TYR A 53 -4.669 -11.007 -4.708 1.00 0.00 C ATOM 809 O TYR A 53 -3.594 -11.303 -5.189 1.00 0.00 O ATOM 810 CB TYR A 53 -4.596 -11.485 -2.270 1.00 0.00 C ATOM 811 CG TYR A 53 -5.080 -12.381 -1.155 1.00 0.00 C ATOM 812 CD1 TYR A 53 -6.446 -12.460 -0.864 1.00 0.00 C ATOM 813 CD2 TYR A 53 -4.160 -13.118 -0.399 1.00 0.00 C ATOM 814 CE1 TYR A 53 -6.893 -13.276 0.183 1.00 0.00 C ATOM 815 CE2 TYR A 53 -4.605 -13.936 0.644 1.00 0.00 C ATOM 816 CZ TYR A 53 -5.971 -14.014 0.936 1.00 0.00 C ATOM 817 OH TYR A 53 -6.410 -14.817 1.970 1.00 0.00 O ATOM 0 H TYR A 53 -4.193 -13.563 -4.208 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.358 -11.622 -3.492 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.517 -11.589 -2.385 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.791 -10.443 -2.016 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.156 -11.892 -1.447 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.105 -13.054 -0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.947 -13.336 0.409 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.895 -14.507 1.224 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.643 -15.260 2.389 1.00 0.00 H new ATOM 827 N TYR A 54 -5.331 -9.965 -5.120 1.00 0.00 N ATOM 828 CA TYR A 54 -4.777 -9.106 -6.207 1.00 0.00 C ATOM 829 C TYR A 54 -4.542 -7.697 -5.659 1.00 0.00 C ATOM 830 O TYR A 54 -5.429 -6.872 -5.658 1.00 0.00 O ATOM 831 CB TYR A 54 -5.782 -9.044 -7.357 1.00 0.00 C ATOM 832 CG TYR A 54 -5.047 -9.122 -8.674 1.00 0.00 C ATOM 833 CD1 TYR A 54 -4.394 -10.306 -9.040 1.00 0.00 C ATOM 834 CD2 TYR A 54 -5.017 -8.013 -9.529 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.710 -10.380 -10.261 1.00 0.00 C ATOM 836 CE2 TYR A 54 -4.334 -8.087 -10.750 1.00 0.00 C ATOM 837 CZ TYR A 54 -3.681 -9.271 -11.115 1.00 0.00 C ATOM 838 OH TYR A 54 -3.008 -9.345 -12.318 1.00 0.00 O ATOM 0 H TYR A 54 -6.235 -9.668 -4.752 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.835 -9.521 -6.567 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.494 -9.866 -7.277 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.356 -8.119 -7.303 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.418 -11.162 -8.381 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.521 -7.100 -9.247 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.205 -11.292 -10.543 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.311 -7.232 -11.409 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.087 -8.490 -12.790 1.00 0.00 H new ATOM 848 N ILE A 55 -3.365 -7.418 -5.166 1.00 0.00 N ATOM 849 CA ILE A 55 -3.112 -6.070 -4.594 1.00 0.00 C ATOM 850 C ILE A 55 -2.467 -5.135 -5.611 1.00 0.00 C ATOM 851 O ILE A 55 -1.261 -5.029 -5.696 1.00 0.00 O ATOM 852 CB ILE A 55 -2.183 -6.206 -3.387 1.00 0.00 C ATOM 853 CG1 ILE A 55 -2.649 -7.371 -2.507 1.00 0.00 C ATOM 854 CG2 ILE A 55 -2.206 -4.911 -2.578 1.00 0.00 C ATOM 855 CD1 ILE A 55 -4.167 -7.311 -2.331 1.00 0.00 C ATOM 0 H ILE A 55 -2.575 -8.062 -5.136 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.071 -5.643 -4.301 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.167 -6.400 -3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.363 -8.319 -2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.159 -7.323 -1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.544 -5.008 -1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.869 -4.085 -3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.222 -4.715 -2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.494 -8.141 -1.705 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.441 -6.369 -1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.649 -7.380 -3.306 1.00 0.00 H new ATOM 867 N LYS A 56 -3.265 -4.396 -6.327 1.00 0.00 N ATOM 868 CA LYS A 56 -2.709 -3.406 -7.271 1.00 0.00 C ATOM 869 C LYS A 56 -2.301 -2.229 -6.392 1.00 0.00 C ATOM 870 O LYS A 56 -3.139 -1.476 -5.949 1.00 0.00 O ATOM 871 CB LYS A 56 -3.807 -2.989 -8.245 1.00 0.00 C ATOM 872 CG LYS A 56 -3.222 -2.112 -9.354 1.00 0.00 C ATOM 873 CD LYS A 56 -4.345 -1.666 -10.295 1.00 0.00 C ATOM 874 CE LYS A 56 -3.757 -1.298 -11.659 1.00 0.00 C ATOM 875 NZ LYS A 56 -4.736 -1.640 -12.732 1.00 0.00 N ATOM 0 H LYS A 56 -4.284 -4.440 -6.295 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.871 -3.785 -7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.274 -3.873 -8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.587 -2.444 -7.714 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.727 -1.242 -8.922 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.465 -2.666 -9.910 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.078 -2.465 -10.407 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.870 -0.810 -9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.523 -0.234 -11.691 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.822 -1.835 -11.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.238 -1.733 -13.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.205 -2.539 -12.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.449 -0.887 -12.804 1.00 0.00 H new ATOM 889 N VAL A 57 -1.050 -2.098 -6.061 1.00 0.00 N ATOM 890 CA VAL A 57 -0.671 -0.997 -5.123 1.00 0.00 C ATOM 891 C VAL A 57 -0.596 0.359 -5.840 1.00 0.00 C ATOM 892 O VAL A 57 -0.194 0.468 -6.980 1.00 0.00 O ATOM 893 CB VAL A 57 0.655 -1.318 -4.384 1.00 0.00 C ATOM 894 CG1 VAL A 57 1.432 -2.426 -5.086 1.00 0.00 C ATOM 895 CG2 VAL A 57 1.526 -0.067 -4.286 1.00 0.00 C ATOM 0 H VAL A 57 -0.285 -2.688 -6.388 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.459 -0.924 -4.374 1.00 0.00 H new ATOM 0 HB VAL A 57 0.396 -1.661 -3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.355 -2.625 -4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.827 -3.332 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.671 -2.115 -6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.452 -0.309 -3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.757 0.295 -5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.991 0.707 -3.735 1.00 0.00 H new ATOM 905 N ARG A 58 -0.987 1.392 -5.137 1.00 0.00 N ATOM 906 CA ARG A 58 -0.962 2.775 -5.692 1.00 0.00 C ATOM 907 C ARG A 58 0.310 3.486 -5.222 1.00 0.00 C ATOM 908 O ARG A 58 0.712 3.362 -4.081 1.00 0.00 O ATOM 909 CB ARG A 58 -2.217 3.525 -5.177 1.00 0.00 C ATOM 910 CG ARG A 58 -1.886 4.862 -4.468 1.00 0.00 C ATOM 911 CD ARG A 58 -2.774 5.029 -3.230 1.00 0.00 C ATOM 912 NE ARG A 58 -4.145 4.574 -3.558 1.00 0.00 N ATOM 913 CZ ARG A 58 -5.182 5.171 -3.037 1.00 0.00 C ATOM 914 NH1 ARG A 58 -5.030 5.967 -2.013 1.00 0.00 N ATOM 915 NH2 ARG A 58 -6.369 4.974 -3.540 1.00 0.00 N ATOM 0 H ARG A 58 -1.330 1.330 -4.179 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.967 2.753 -6.782 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.883 3.723 -6.017 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.759 2.880 -4.485 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.835 4.880 -4.178 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.042 5.695 -5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.374 4.450 -2.398 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.788 6.072 -2.914 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.279 3.789 -4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.101 6.122 -1.621 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.840 6.434 -1.605 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.487 4.353 -4.341 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.179 5.441 -3.133 1.00 0.00 H new ATOM 929 N ALA A 59 0.910 4.278 -6.062 1.00 0.00 N ATOM 930 CA ALA A 59 2.107 5.033 -5.623 1.00 0.00 C ATOM 931 C ALA A 59 1.986 6.460 -6.129 1.00 0.00 C ATOM 932 O ALA A 59 2.956 7.178 -6.212 1.00 0.00 O ATOM 933 CB ALA A 59 3.374 4.392 -6.176 1.00 0.00 C ATOM 0 H ALA A 59 0.623 4.433 -7.029 1.00 0.00 H new ATOM 0 HA ALA A 59 2.168 5.023 -4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.244 4.959 -5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.450 3.366 -5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.336 4.391 -7.265 1.00 0.00 H new ATOM 939 N GLY A 60 0.794 6.892 -6.444 1.00 0.00 N ATOM 940 CA GLY A 60 0.634 8.298 -6.910 1.00 0.00 C ATOM 941 C GLY A 60 -0.091 8.325 -8.257 1.00 0.00 C ATOM 942 O GLY A 60 -0.915 7.480 -8.548 1.00 0.00 O ATOM 0 H GLY A 60 -0.063 6.341 -6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.071 8.872 -6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.611 8.772 -7.004 1.00 0.00 H new ATOM 946 N ASP A 61 0.209 9.293 -9.081 1.00 0.00 N ATOM 947 CA ASP A 61 -0.463 9.380 -10.407 1.00 0.00 C ATOM 948 C ASP A 61 0.459 8.804 -11.485 1.00 0.00 C ATOM 949 O ASP A 61 0.010 8.263 -12.476 1.00 0.00 O ATOM 950 CB ASP A 61 -0.769 10.844 -10.728 1.00 0.00 C ATOM 951 CG ASP A 61 -2.259 11.003 -11.035 1.00 0.00 C ATOM 952 OD1 ASP A 61 -2.785 10.179 -11.765 1.00 0.00 O ATOM 953 OD2 ASP A 61 -2.851 11.946 -10.534 1.00 0.00 O ATOM 0 H ASP A 61 0.891 10.027 -8.892 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.392 8.811 -10.381 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.492 11.477 -9.885 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.175 11.171 -11.581 1.00 0.00 H new ATOM 958 N ASN A 62 1.747 8.915 -11.299 1.00 0.00 N ATOM 959 CA ASN A 62 2.696 8.374 -12.309 1.00 0.00 C ATOM 960 C ASN A 62 3.297 7.065 -11.791 1.00 0.00 C ATOM 961 O ASN A 62 3.672 6.197 -12.556 1.00 0.00 O ATOM 962 CB ASN A 62 3.822 9.382 -12.586 1.00 0.00 C ATOM 963 CG ASN A 62 3.921 10.399 -11.444 1.00 0.00 C ATOM 964 OD1 ASN A 62 4.203 9.985 -10.238 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 3.740 11.582 -11.654 1.00 0.00 N flip ATOM 0 H ASN A 62 2.182 9.358 -10.489 1.00 0.00 H new ATOM 0 HA ASN A 62 2.155 8.191 -13.238 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.770 8.856 -12.697 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.633 9.899 -13.527 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.520 11.905 -12.596 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.808 12.252 -10.888 1.00 0.00 H new ATOM 972 N LYS A 63 3.385 6.911 -10.498 1.00 0.00 N ATOM 973 CA LYS A 63 3.953 5.656 -9.934 1.00 0.00 C ATOM 974 C LYS A 63 2.806 4.671 -9.676 1.00 0.00 C ATOM 975 O LYS A 63 1.741 5.047 -9.219 1.00 0.00 O ATOM 976 CB LYS A 63 4.678 5.974 -8.624 1.00 0.00 C ATOM 977 CG LYS A 63 5.951 6.766 -8.924 1.00 0.00 C ATOM 978 CD LYS A 63 5.873 8.131 -8.239 1.00 0.00 C ATOM 979 CE LYS A 63 6.803 9.118 -8.947 1.00 0.00 C ATOM 980 NZ LYS A 63 8.209 8.635 -8.850 1.00 0.00 N ATOM 0 H LYS A 63 3.088 7.601 -9.808 1.00 0.00 H new ATOM 0 HA LYS A 63 4.663 5.213 -10.633 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.026 6.549 -7.966 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.926 5.051 -8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.825 6.219 -8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.068 6.893 -10.000 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.848 8.502 -8.262 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.155 8.039 -7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.514 9.220 -9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.715 10.106 -8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.859 9.444 -8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.347 8.149 -7.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.403 7.974 -9.629 1.00 0.00 H new ATOM 994 N TYR A 64 3.005 3.415 -9.966 1.00 0.00 N ATOM 995 CA TYR A 64 1.920 2.428 -9.748 1.00 0.00 C ATOM 996 C TYR A 64 2.544 1.053 -9.567 1.00 0.00 C ATOM 997 O TYR A 64 3.286 0.579 -10.406 1.00 0.00 O ATOM 998 CB TYR A 64 0.994 2.416 -10.970 1.00 0.00 C ATOM 999 CG TYR A 64 -0.405 2.798 -10.550 1.00 0.00 C ATOM 1000 CD1 TYR A 64 -0.749 4.148 -10.409 1.00 0.00 C ATOM 1001 CD2 TYR A 64 -1.361 1.803 -10.306 1.00 0.00 C ATOM 1002 CE1 TYR A 64 -2.048 4.503 -10.024 1.00 0.00 C ATOM 1003 CE2 TYR A 64 -2.660 2.159 -9.921 1.00 0.00 C ATOM 1004 CZ TYR A 64 -3.003 3.511 -9.779 1.00 0.00 C ATOM 1005 OH TYR A 64 -4.282 3.862 -9.400 1.00 0.00 O ATOM 0 H TYR A 64 3.872 3.033 -10.344 1.00 0.00 H new ATOM 0 HA TYR A 64 1.342 2.693 -8.862 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.361 3.113 -11.724 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.990 1.426 -11.426 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.013 4.915 -10.597 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.096 0.762 -10.415 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.313 5.544 -9.916 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.397 1.392 -9.734 1.00 0.00 H new ATOM 0 HH TYR A 64 -4.915 3.186 -9.720 1.00 0.00 H new ATOM 1015 N LEU A 65 2.270 0.412 -8.472 1.00 0.00 N ATOM 1016 CA LEU A 65 2.870 -0.923 -8.241 1.00 0.00 C ATOM 1017 C LEU A 65 1.800 -1.995 -8.293 1.00 0.00 C ATOM 1018 O LEU A 65 0.643 -1.727 -8.557 1.00 0.00 O ATOM 1019 CB LEU A 65 3.551 -0.937 -6.880 1.00 0.00 C ATOM 1020 CG LEU A 65 4.496 0.271 -6.796 1.00 0.00 C ATOM 1021 CD1 LEU A 65 3.748 1.466 -6.214 1.00 0.00 C ATOM 1022 CD2 LEU A 65 5.690 -0.041 -5.889 1.00 0.00 C ATOM 0 H LEU A 65 1.659 0.753 -7.730 1.00 0.00 H new ATOM 0 HA LEU A 65 3.604 -1.127 -9.020 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.808 -0.893 -6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.108 -1.864 -6.745 1.00 0.00 H new ATOM 0 HG LEU A 65 4.853 0.497 -7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.420 2.322 -6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.901 1.713 -6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.387 1.218 -5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.348 0.827 -5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.333 -0.280 -4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.240 -0.892 -6.291 1.00 0.00 H new ATOM 1034 N HIS A 66 2.169 -3.217 -8.051 1.00 0.00 N ATOM 1035 CA HIS A 66 1.166 -4.289 -8.109 1.00 0.00 C ATOM 1036 C HIS A 66 1.667 -5.535 -7.371 1.00 0.00 C ATOM 1037 O HIS A 66 2.852 -5.743 -7.202 1.00 0.00 O ATOM 1038 CB HIS A 66 0.927 -4.607 -9.571 1.00 0.00 C ATOM 1039 CG HIS A 66 -0.440 -5.165 -9.727 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -1.418 -4.519 -10.451 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -1.018 -6.298 -9.231 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -2.529 -5.258 -10.367 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -2.343 -6.360 -9.635 1.00 0.00 N ATOM 0 H HIS A 66 3.117 -3.511 -7.818 1.00 0.00 H new ATOM 0 HA HIS A 66 0.241 -3.971 -7.627 1.00 0.00 H new ATOM 0 HB2 HIS A 66 1.037 -3.706 -10.175 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.669 -5.322 -9.927 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -1.314 -3.640 -10.957 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.519 -7.034 -8.618 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.466 -4.995 -10.835 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.026 -7.087 -9.421 1.00 0.00 H new ATOM 1051 N LEU A 67 0.758 -6.356 -6.921 1.00 0.00 N ATOM 1052 CA LEU A 67 1.135 -7.591 -6.176 1.00 0.00 C ATOM 1053 C LEU A 67 -0.025 -8.567 -6.215 1.00 0.00 C ATOM 1054 O LEU A 67 -1.150 -8.215 -6.498 1.00 0.00 O ATOM 1055 CB LEU A 67 1.384 -7.228 -4.712 1.00 0.00 C ATOM 1056 CG LEU A 67 1.448 -8.496 -3.845 1.00 0.00 C ATOM 1057 CD1 LEU A 67 2.722 -9.271 -4.148 1.00 0.00 C ATOM 1058 CD2 LEU A 67 1.459 -8.085 -2.375 1.00 0.00 C ATOM 0 H LEU A 67 -0.246 -6.221 -7.040 1.00 0.00 H new ATOM 0 HA LEU A 67 2.025 -8.031 -6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.317 -6.672 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.589 -6.575 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 67 0.584 -9.125 -4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.758 -10.167 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.733 -9.556 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.588 -8.646 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.504 -8.976 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.329 -7.459 -2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.551 -7.527 -2.147 1.00 0.00 H new ATOM 1070 N LYS A 68 0.250 -9.780 -5.883 1.00 0.00 N ATOM 1071 CA LYS A 68 -0.782 -10.806 -5.815 1.00 0.00 C ATOM 1072 C LYS A 68 -0.512 -11.569 -4.560 1.00 0.00 C ATOM 1073 O LYS A 68 0.373 -12.406 -4.550 1.00 0.00 O ATOM 1074 CB LYS A 68 -0.581 -11.766 -6.939 1.00 0.00 C ATOM 1075 CG LYS A 68 -1.816 -12.632 -7.137 1.00 0.00 C ATOM 1076 CD LYS A 68 -1.733 -13.812 -6.163 1.00 0.00 C ATOM 1077 CE LYS A 68 -1.397 -15.113 -6.904 1.00 0.00 C ATOM 1078 NZ LYS A 68 -2.033 -15.119 -8.255 1.00 0.00 N ATOM 0 H LYS A 68 1.187 -10.108 -5.648 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.779 -10.368 -5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.364 -11.219 -7.856 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.283 -12.398 -6.733 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.721 -12.052 -6.955 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.868 -12.990 -8.165 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.973 -13.612 -5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.682 -13.923 -5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.316 -15.214 -7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.746 -15.969 -6.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.972 -16.074 -8.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.032 -14.842 -8.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.539 -14.446 -8.874 1.00 0.00 H new ATOM 1092 N VAL A 69 -1.207 -11.319 -3.502 1.00 0.00 N ATOM 1093 CA VAL A 69 -0.888 -12.097 -2.304 1.00 0.00 C ATOM 1094 C VAL A 69 -1.639 -13.422 -2.385 1.00 0.00 C ATOM 1095 O VAL A 69 -2.805 -13.464 -2.720 1.00 0.00 O ATOM 1096 CB VAL A 69 -1.279 -11.333 -1.038 1.00 0.00 C ATOM 1097 CG1 VAL A 69 -1.056 -12.229 0.181 1.00 0.00 C ATOM 1098 CG2 VAL A 69 -0.411 -10.080 -0.913 1.00 0.00 C ATOM 0 H VAL A 69 -1.957 -10.633 -3.417 1.00 0.00 H new ATOM 0 HA VAL A 69 0.186 -12.277 -2.255 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.329 -11.045 -1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.334 -11.688 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.670 -13.125 0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.005 -12.513 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.688 -9.534 -0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.638 -10.369 -0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.564 -9.443 -1.784 1.00 0.00 H new ATOM 1108 N PHE A 70 -0.988 -14.516 -2.128 1.00 0.00 N ATOM 1109 CA PHE A 70 -1.704 -15.811 -2.250 1.00 0.00 C ATOM 1110 C PHE A 70 -1.351 -16.753 -1.099 1.00 0.00 C ATOM 1111 O PHE A 70 -0.217 -17.132 -0.919 1.00 0.00 O ATOM 1112 CB PHE A 70 -1.299 -16.451 -3.574 1.00 0.00 C ATOM 1113 CG PHE A 70 -1.965 -17.799 -3.721 1.00 0.00 C ATOM 1114 CD1 PHE A 70 -3.110 -18.105 -2.972 1.00 0.00 C ATOM 1115 CD2 PHE A 70 -1.439 -18.740 -4.612 1.00 0.00 C ATOM 1116 CE1 PHE A 70 -3.726 -19.354 -3.116 1.00 0.00 C ATOM 1117 CE2 PHE A 70 -2.055 -19.989 -4.756 1.00 0.00 C ATOM 1118 CZ PHE A 70 -3.197 -20.297 -4.007 1.00 0.00 C ATOM 0 H PHE A 70 -0.010 -14.572 -1.844 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.778 -15.631 -2.214 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.584 -15.803 -4.403 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.216 -16.565 -3.616 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.516 -17.378 -2.285 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.557 -18.503 -5.189 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.609 -19.590 -2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.649 -20.715 -5.445 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.670 -21.262 -4.116 1.00 0.00 H new ATOM 1128 N LYS A 71 -2.331 -17.161 -0.335 1.00 0.00 N ATOM 1129 CA LYS A 71 -2.054 -18.110 0.780 1.00 0.00 C ATOM 1130 C LYS A 71 -2.189 -19.527 0.228 1.00 0.00 C ATOM 1131 O LYS A 71 -3.081 -20.268 0.589 1.00 0.00 O ATOM 1132 CB LYS A 71 -3.065 -17.896 1.908 1.00 0.00 C ATOM 1133 CG LYS A 71 -2.341 -17.367 3.151 1.00 0.00 C ATOM 1134 CD LYS A 71 -1.624 -18.520 3.855 1.00 0.00 C ATOM 1135 CE LYS A 71 -1.291 -18.114 5.291 1.00 0.00 C ATOM 1136 NZ LYS A 71 -0.646 -16.770 5.293 1.00 0.00 N ATOM 0 H LYS A 71 -3.306 -16.879 -0.435 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.053 -17.948 1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.833 -17.189 1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.571 -18.833 2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.623 -16.598 2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.055 -16.901 3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.255 -19.409 3.854 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.711 -18.777 3.318 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.199 -18.094 5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.625 -18.849 5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.123 -16.637 6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.012 -16.700 4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.376 -16.034 5.207 1.00 0.00 H new ATOM 1150 N SER A 72 -1.313 -19.888 -0.670 1.00 0.00 N ATOM 1151 CA SER A 72 -1.368 -21.240 -1.295 1.00 0.00 C ATOM 1152 C SER A 72 -1.807 -22.295 -0.277 1.00 0.00 C ATOM 1153 O SER A 72 -1.086 -22.636 0.639 1.00 0.00 O ATOM 1154 CB SER A 72 0.013 -21.602 -1.840 1.00 0.00 C ATOM 1155 OG SER A 72 0.204 -20.967 -3.097 1.00 0.00 O ATOM 0 H SER A 72 -0.552 -19.295 -1.001 1.00 0.00 H new ATOM 0 HA SER A 72 -2.096 -21.219 -2.106 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.787 -21.287 -1.140 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.102 -22.683 -1.949 1.00 0.00 H new ATOM 0 HG SER A 72 -0.583 -20.424 -3.312 1.00 0.00 H new ATOM 1161 N LEU A 73 -2.983 -22.822 -0.457 1.00 0.00 N ATOM 1162 CA LEU A 73 -3.503 -23.873 0.460 1.00 0.00 C ATOM 1163 C LEU A 73 -4.534 -24.703 -0.309 1.00 0.00 C ATOM 1164 O LEU A 73 -5.690 -24.748 0.056 1.00 0.00 O ATOM 1165 CB LEU A 73 -4.154 -23.211 1.674 1.00 0.00 C ATOM 1166 CG LEU A 73 -4.950 -24.251 2.461 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -4.524 -24.221 3.929 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -6.437 -23.926 2.354 1.00 0.00 C ATOM 0 H LEU A 73 -3.617 -22.565 -1.213 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.695 -24.516 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.390 -22.765 2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.811 -22.403 1.351 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.760 -25.244 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.093 -24.964 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.460 -24.447 4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.714 -23.231 4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.012 -24.664 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.623 -22.934 2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.740 -23.948 1.307 1.00 0.00 H new ATOM 1180 N PRO A 74 -4.080 -25.314 -1.382 1.00 0.00 N ATOM 1181 CA PRO A 74 -4.940 -26.130 -2.258 1.00 0.00 C ATOM 1182 C PRO A 74 -5.158 -27.530 -1.668 1.00 0.00 C ATOM 1183 O PRO A 74 -4.991 -28.526 -2.342 1.00 0.00 O ATOM 1184 CB PRO A 74 -4.137 -26.220 -3.560 1.00 0.00 C ATOM 1185 CG PRO A 74 -2.657 -25.977 -3.176 1.00 0.00 C ATOM 1186 CD PRO A 74 -2.669 -25.241 -1.823 1.00 0.00 C ATOM 0 HA PRO A 74 -5.933 -25.701 -2.391 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.262 -27.197 -4.027 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.479 -25.476 -4.280 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.117 -26.921 -3.099 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.152 -25.382 -3.937 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.002 -25.718 -1.105 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.338 -24.208 -1.929 1.00 0.00 H new ATOM 1194 N GLY A 75 -5.542 -27.617 -0.424 1.00 0.00 N ATOM 1195 CA GLY A 75 -5.780 -28.956 0.187 1.00 0.00 C ATOM 1196 C GLY A 75 -4.495 -29.478 0.831 1.00 0.00 C ATOM 1197 O GLY A 75 -4.531 -30.194 1.812 1.00 0.00 O ATOM 0 H GLY A 75 -5.701 -26.822 0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.569 -28.887 0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.124 -29.656 -0.575 1.00 0.00 H new ATOM 1201 N GLN A 76 -3.360 -29.133 0.291 1.00 0.00 N ATOM 1202 CA GLN A 76 -2.080 -29.622 0.880 1.00 0.00 C ATOM 1203 C GLN A 76 -1.475 -28.541 1.775 1.00 0.00 C ATOM 1204 O GLN A 76 -0.835 -28.829 2.766 1.00 0.00 O ATOM 1205 CB GLN A 76 -1.098 -29.965 -0.240 1.00 0.00 C ATOM 1206 CG GLN A 76 -0.025 -30.913 0.300 1.00 0.00 C ATOM 1207 CD GLN A 76 -0.693 -32.148 0.906 1.00 0.00 C ATOM 1208 OE1 GLN A 76 -1.679 -32.636 0.387 1.00 0.00 O ATOM 1209 NE2 GLN A 76 -0.200 -32.676 1.992 1.00 0.00 N ATOM 0 H GLN A 76 -3.262 -28.536 -0.530 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.278 -30.513 1.476 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.626 -30.431 -1.072 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.636 -29.056 -0.625 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.651 -31.209 -0.502 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.578 -30.406 1.054 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.627 -32.267 2.428 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.641 -33.497 2.405 1.00 0.00 H new ATOM 1218 N ASN A 77 -1.672 -27.298 1.435 1.00 0.00 N ATOM 1219 CA ASN A 77 -1.107 -26.202 2.269 1.00 0.00 C ATOM 1220 C ASN A 77 0.412 -26.357 2.359 1.00 0.00 C ATOM 1221 O ASN A 77 0.926 -27.045 3.219 1.00 0.00 O ATOM 1222 CB ASN A 77 -1.707 -26.271 3.674 1.00 0.00 C ATOM 1223 CG ASN A 77 -0.928 -25.344 4.610 1.00 0.00 C ATOM 1224 OD1 ASN A 77 -0.228 -24.365 4.105 1.00 0.00 O flip ATOM 1225 ND2 ASN A 77 -0.954 -25.514 5.813 1.00 0.00 N flip ATOM 0 H ASN A 77 -2.199 -26.994 0.616 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.348 -25.241 1.815 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.757 -25.979 3.647 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.671 -27.295 4.046 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.501 -26.279 6.208 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.429 -24.892 6.427 1.00 0.00 H new ATOM 1232 N GLU A 78 1.135 -25.720 1.481 1.00 0.00 N ATOM 1233 CA GLU A 78 2.621 -25.827 1.521 1.00 0.00 C ATOM 1234 C GLU A 78 3.225 -24.435 1.322 1.00 0.00 C ATOM 1235 O GLU A 78 3.702 -24.101 0.256 1.00 0.00 O ATOM 1236 CB GLU A 78 3.099 -26.758 0.404 1.00 0.00 C ATOM 1237 CG GLU A 78 3.130 -28.201 0.917 1.00 0.00 C ATOM 1238 CD GLU A 78 4.456 -28.461 1.632 1.00 0.00 C ATOM 1239 OE1 GLU A 78 5.489 -28.195 1.039 1.00 0.00 O ATOM 1240 OE2 GLU A 78 4.417 -28.923 2.760 1.00 0.00 O ATOM 0 H GLU A 78 0.762 -25.130 0.737 1.00 0.00 H new ATOM 0 HA GLU A 78 2.936 -26.232 2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.434 -26.681 -0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.092 -26.459 0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.297 -28.373 1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.011 -28.896 0.086 1.00 0.00 H new ATOM 1247 N ASP A 79 3.201 -23.619 2.340 1.00 0.00 N ATOM 1248 CA ASP A 79 3.765 -22.245 2.208 1.00 0.00 C ATOM 1249 C ASP A 79 2.840 -21.411 1.321 1.00 0.00 C ATOM 1250 O ASP A 79 2.097 -21.937 0.517 1.00 0.00 O ATOM 1251 CB ASP A 79 5.155 -22.324 1.574 1.00 0.00 C ATOM 1252 CG ASP A 79 6.072 -21.289 2.227 1.00 0.00 C ATOM 1253 OD1 ASP A 79 6.026 -21.166 3.440 1.00 0.00 O ATOM 1254 OD2 ASP A 79 6.807 -20.636 1.503 1.00 0.00 O ATOM 0 H ASP A 79 2.816 -23.844 3.257 1.00 0.00 H new ATOM 0 HA ASP A 79 3.846 -21.781 3.191 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.569 -23.324 1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.088 -22.141 0.501 1.00 0.00 H new ATOM 1259 N LEU A 80 2.870 -20.115 1.463 1.00 0.00 N ATOM 1260 CA LEU A 80 1.981 -19.260 0.628 1.00 0.00 C ATOM 1261 C LEU A 80 2.587 -19.059 -0.753 1.00 0.00 C ATOM 1262 O LEU A 80 3.223 -19.937 -1.302 1.00 0.00 O ATOM 1263 CB LEU A 80 1.760 -17.913 1.310 1.00 0.00 C ATOM 1264 CG LEU A 80 3.044 -17.104 1.278 1.00 0.00 C ATOM 1265 CD1 LEU A 80 2.713 -15.645 0.964 1.00 0.00 C ATOM 1266 CD2 LEU A 80 3.714 -17.209 2.643 1.00 0.00 C ATOM 0 H LEU A 80 3.469 -19.613 2.118 1.00 0.00 H new ATOM 0 HA LEU A 80 1.019 -19.759 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.962 -17.367 0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.441 -18.065 2.341 1.00 0.00 H new ATOM 0 HG LEU A 80 3.717 -17.485 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.633 -15.060 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.219 -15.585 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.051 -15.248 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.640 -16.633 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.045 -16.815 3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.937 -18.254 2.859 1.00 0.00 H new ATOM 1278 N VAL A 81 2.361 -17.921 -1.332 1.00 0.00 N ATOM 1279 CA VAL A 81 2.879 -17.664 -2.694 1.00 0.00 C ATOM 1280 C VAL A 81 2.457 -16.257 -3.122 1.00 0.00 C ATOM 1281 O VAL A 81 1.459 -15.736 -2.670 1.00 0.00 O ATOM 1282 CB VAL A 81 2.277 -18.738 -3.616 1.00 0.00 C ATOM 1283 CG1 VAL A 81 1.833 -18.138 -4.958 1.00 0.00 C ATOM 1284 CG2 VAL A 81 3.324 -19.824 -3.873 1.00 0.00 C ATOM 0 H VAL A 81 1.835 -17.152 -0.916 1.00 0.00 H new ATOM 0 HA VAL A 81 3.967 -17.715 -2.738 1.00 0.00 H new ATOM 0 HB VAL A 81 1.401 -19.160 -3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.412 -18.923 -5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.079 -17.371 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.692 -17.693 -5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.903 -20.588 -4.526 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.198 -19.381 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.618 -20.278 -2.926 1.00 0.00 H new ATOM 1294 N LEU A 82 3.199 -15.639 -3.998 1.00 0.00 N ATOM 1295 CA LEU A 82 2.821 -14.286 -4.451 1.00 0.00 C ATOM 1296 C LEU A 82 3.101 -14.159 -5.930 1.00 0.00 C ATOM 1297 O LEU A 82 4.059 -13.537 -6.344 1.00 0.00 O ATOM 1298 CB LEU A 82 3.612 -13.223 -3.708 1.00 0.00 C ATOM 1299 CG LEU A 82 2.721 -12.634 -2.634 1.00 0.00 C ATOM 1300 CD1 LEU A 82 2.669 -13.578 -1.432 1.00 0.00 C ATOM 1301 CD2 LEU A 82 3.267 -11.274 -2.194 1.00 0.00 C ATOM 0 H LEU A 82 4.049 -16.018 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 82 1.760 -14.140 -4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.507 -13.657 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.943 -12.445 -4.396 1.00 0.00 H new ATOM 0 HG LEU A 82 1.716 -12.505 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.027 -13.151 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.269 -14.543 -1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.674 -13.714 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.622 -10.856 -1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.275 -11.398 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.294 -10.599 -3.049 1.00 0.00 H new ATOM 1313 N THR A 83 2.258 -14.721 -6.735 1.00 0.00 N ATOM 1314 CA THR A 83 2.464 -14.607 -8.196 1.00 0.00 C ATOM 1315 C THR A 83 2.427 -13.128 -8.594 1.00 0.00 C ATOM 1316 O THR A 83 2.663 -12.788 -9.736 1.00 0.00 O ATOM 1317 CB THR A 83 1.363 -15.362 -8.931 1.00 0.00 C ATOM 1318 OG1 THR A 83 1.116 -16.598 -8.275 1.00 0.00 O ATOM 1319 CG2 THR A 83 1.797 -15.624 -10.375 1.00 0.00 C ATOM 0 H THR A 83 1.437 -15.253 -6.447 1.00 0.00 H new ATOM 0 HA THR A 83 3.430 -15.035 -8.463 1.00 0.00 H new ATOM 0 HB THR A 83 0.451 -14.764 -8.931 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.407 -17.083 -8.747 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.009 -16.164 -10.900 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.982 -14.675 -10.877 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.709 -16.220 -10.378 1.00 0.00 H new ATOM 1327 N GLY A 84 2.134 -12.232 -7.672 1.00 0.00 N ATOM 1328 CA GLY A 84 2.097 -10.795 -8.053 1.00 0.00 C ATOM 1329 C GLY A 84 3.202 -10.043 -7.329 1.00 0.00 C ATOM 1330 O GLY A 84 3.622 -10.418 -6.254 1.00 0.00 O ATOM 0 H GLY A 84 1.924 -12.437 -6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.220 -10.692 -9.131 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.127 -10.367 -7.800 1.00 0.00 H new ATOM 1334 N TYR A 85 3.669 -8.982 -7.914 1.00 0.00 N ATOM 1335 CA TYR A 85 4.746 -8.184 -7.279 1.00 0.00 C ATOM 1336 C TYR A 85 5.283 -7.195 -8.313 1.00 0.00 C ATOM 1337 O TYR A 85 5.673 -7.580 -9.399 1.00 0.00 O ATOM 1338 CB TYR A 85 5.876 -9.112 -6.816 1.00 0.00 C ATOM 1339 CG TYR A 85 6.188 -10.119 -7.900 1.00 0.00 C ATOM 1340 CD1 TYR A 85 6.982 -9.748 -8.992 1.00 0.00 C ATOM 1341 CD2 TYR A 85 5.684 -11.422 -7.813 1.00 0.00 C ATOM 1342 CE1 TYR A 85 7.269 -10.679 -9.997 1.00 0.00 C ATOM 1343 CE2 TYR A 85 5.971 -12.353 -8.818 1.00 0.00 C ATOM 1344 CZ TYR A 85 6.763 -11.981 -9.909 1.00 0.00 C ATOM 1345 OH TYR A 85 7.046 -12.900 -10.899 1.00 0.00 O ATOM 0 H TYR A 85 3.347 -8.630 -8.815 1.00 0.00 H new ATOM 0 HA TYR A 85 4.356 -7.649 -6.413 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.766 -8.528 -6.582 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.584 -9.627 -5.901 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.373 -8.743 -9.059 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.073 -11.709 -6.970 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.881 -10.393 -10.840 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.581 -13.358 -8.751 1.00 0.00 H new ATOM 0 HH TYR A 85 6.619 -13.755 -10.683 1.00 0.00 H new ATOM 1355 N GLN A 86 5.298 -5.926 -8.014 1.00 0.00 N ATOM 1356 CA GLN A 86 5.809 -4.958 -9.032 1.00 0.00 C ATOM 1357 C GLN A 86 6.142 -3.605 -8.401 1.00 0.00 C ATOM 1358 O GLN A 86 5.576 -3.212 -7.401 1.00 0.00 O ATOM 1359 CB GLN A 86 4.742 -4.754 -10.109 1.00 0.00 C ATOM 1360 CG GLN A 86 5.245 -5.314 -11.440 1.00 0.00 C ATOM 1361 CD GLN A 86 6.386 -4.440 -11.965 1.00 0.00 C ATOM 1362 OE1 GLN A 86 7.536 -4.829 -11.921 1.00 0.00 O ATOM 1363 NE2 GLN A 86 6.116 -3.265 -12.465 1.00 0.00 N ATOM 0 H GLN A 86 4.987 -5.521 -7.131 1.00 0.00 H new ATOM 0 HA GLN A 86 6.721 -5.369 -9.464 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.817 -5.253 -9.819 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.513 -3.693 -10.212 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.590 -6.339 -11.308 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.432 -5.342 -12.165 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.151 -2.936 -12.503 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.870 -2.675 -12.818 1.00 0.00 H new ATOM 1372 N VAL A 87 7.054 -2.885 -9.003 1.00 0.00 N ATOM 1373 CA VAL A 87 7.433 -1.543 -8.476 1.00 0.00 C ATOM 1374 C VAL A 87 6.549 -0.488 -9.146 1.00 0.00 C ATOM 1375 O VAL A 87 5.510 -0.803 -9.687 1.00 0.00 O ATOM 1376 CB VAL A 87 8.911 -1.273 -8.786 1.00 0.00 C ATOM 1377 CG1 VAL A 87 9.073 -0.839 -10.245 1.00 0.00 C ATOM 1378 CG2 VAL A 87 9.435 -0.174 -7.864 1.00 0.00 C ATOM 0 H VAL A 87 7.555 -3.173 -9.843 1.00 0.00 H new ATOM 0 HA VAL A 87 7.290 -1.505 -7.396 1.00 0.00 H new ATOM 0 HB VAL A 87 9.480 -2.188 -8.623 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.126 -0.650 -10.454 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.709 -1.629 -10.902 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.500 0.071 -10.420 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.485 0.017 -8.085 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.859 0.738 -8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.335 -0.491 -6.826 1.00 0.00 H new ATOM 1388 N ASP A 88 6.938 0.757 -9.122 1.00 0.00 N ATOM 1389 CA ASP A 88 6.092 1.793 -9.757 1.00 0.00 C ATOM 1390 C ASP A 88 6.873 2.535 -10.852 1.00 0.00 C ATOM 1391 O ASP A 88 7.304 1.935 -11.817 1.00 0.00 O ATOM 1392 CB ASP A 88 5.604 2.778 -8.694 1.00 0.00 C ATOM 1393 CG ASP A 88 6.780 3.217 -7.823 1.00 0.00 C ATOM 1394 OD1 ASP A 88 7.897 3.192 -8.313 1.00 0.00 O ATOM 1395 OD2 ASP A 88 6.545 3.569 -6.678 1.00 0.00 O ATOM 0 H ASP A 88 7.799 1.095 -8.692 1.00 0.00 H new ATOM 0 HA ASP A 88 5.232 1.310 -10.222 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.147 3.646 -9.170 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.836 2.312 -8.077 1.00 0.00 H new ATOM 1400 N LYS A 89 7.036 3.837 -10.722 1.00 0.00 N ATOM 1401 CA LYS A 89 7.755 4.626 -11.761 1.00 0.00 C ATOM 1402 C LYS A 89 6.758 5.000 -12.860 1.00 0.00 C ATOM 1403 O LYS A 89 6.526 6.161 -13.133 1.00 0.00 O ATOM 1404 CB LYS A 89 8.907 3.808 -12.350 1.00 0.00 C ATOM 1405 CG LYS A 89 10.003 4.748 -12.849 1.00 0.00 C ATOM 1406 CD LYS A 89 10.775 4.073 -13.983 1.00 0.00 C ATOM 1407 CE LYS A 89 12.268 4.363 -13.830 1.00 0.00 C ATOM 1408 NZ LYS A 89 12.524 5.809 -14.086 1.00 0.00 N ATOM 0 H LYS A 89 6.695 4.383 -9.931 1.00 0.00 H new ATOM 0 HA LYS A 89 8.175 5.528 -11.315 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.310 3.133 -11.595 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.544 3.189 -13.170 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.564 5.682 -13.199 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.680 5.000 -12.033 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.600 2.997 -13.966 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.420 4.439 -14.946 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.600 4.096 -12.827 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.841 3.752 -14.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.549 5.983 -14.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.116 6.077 -15.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.086 6.378 -13.333 1.00 0.00 H new ATOM 1422 N ASN A 90 6.155 4.018 -13.472 1.00 0.00 N ATOM 1423 CA ASN A 90 5.150 4.284 -14.542 1.00 0.00 C ATOM 1424 C ASN A 90 5.016 3.041 -15.422 1.00 0.00 C ATOM 1425 O ASN A 90 4.868 3.130 -16.625 1.00 0.00 O ATOM 1426 CB ASN A 90 5.592 5.474 -15.401 1.00 0.00 C ATOM 1427 CG ASN A 90 7.108 5.426 -15.611 1.00 0.00 C ATOM 1428 OD1 ASN A 90 7.656 4.345 -16.094 1.00 0.00 O flip ATOM 1429 ND2 ASN A 90 7.800 6.386 -15.337 1.00 0.00 N flip ATOM 0 H ASN A 90 6.317 3.031 -13.274 1.00 0.00 H new ATOM 0 HA ASN A 90 4.190 4.520 -14.082 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.081 5.449 -16.364 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.312 6.409 -14.915 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.373 7.232 -14.959 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.808 6.346 -15.485 1.00 0.00 H new ATOM 1436 N LYS A 91 5.067 1.882 -14.829 1.00 0.00 N ATOM 1437 CA LYS A 91 4.942 0.629 -15.623 1.00 0.00 C ATOM 1438 C LYS A 91 3.620 -0.048 -15.281 1.00 0.00 C ATOM 1439 O LYS A 91 2.921 -0.541 -16.144 1.00 0.00 O ATOM 1440 CB LYS A 91 6.104 -0.311 -15.287 1.00 0.00 C ATOM 1441 CG LYS A 91 7.422 0.465 -15.349 1.00 0.00 C ATOM 1442 CD LYS A 91 8.232 0.202 -14.077 1.00 0.00 C ATOM 1443 CE LYS A 91 9.508 -0.565 -14.433 1.00 0.00 C ATOM 1444 NZ LYS A 91 10.488 -0.444 -13.317 1.00 0.00 N ATOM 0 H LYS A 91 5.190 1.748 -13.825 1.00 0.00 H new ATOM 0 HA LYS A 91 4.969 0.864 -16.687 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.966 -0.736 -14.293 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.127 -1.144 -15.989 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.994 0.161 -16.226 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.223 1.532 -15.452 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.485 1.145 -13.593 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.637 -0.371 -13.366 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.276 -1.614 -14.615 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.938 -0.170 -15.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.375 -0.037 -13.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.098 0.175 -12.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.676 -1.385 -12.917 1.00 0.00 H new ATOM 1458 N ASP A 92 3.260 -0.064 -14.028 1.00 0.00 N ATOM 1459 CA ASP A 92 1.971 -0.698 -13.644 1.00 0.00 C ATOM 1460 C ASP A 92 0.859 0.349 -13.734 1.00 0.00 C ATOM 1461 O ASP A 92 -0.208 0.185 -13.177 1.00 0.00 O ATOM 1462 CB ASP A 92 2.066 -1.228 -12.212 1.00 0.00 C ATOM 1463 CG ASP A 92 1.606 -2.686 -12.178 1.00 0.00 C ATOM 1464 OD1 ASP A 92 0.412 -2.908 -12.069 1.00 0.00 O ATOM 1465 OD2 ASP A 92 2.456 -3.557 -12.260 1.00 0.00 O ATOM 0 H ASP A 92 3.800 0.332 -13.258 1.00 0.00 H new ATOM 0 HA ASP A 92 1.752 -1.528 -14.316 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.092 -1.150 -11.851 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.448 -0.625 -11.547 1.00 0.00 H new ATOM 1470 N ASP A 93 1.104 1.426 -14.430 1.00 0.00 N ATOM 1471 CA ASP A 93 0.066 2.487 -14.555 1.00 0.00 C ATOM 1472 C ASP A 93 -1.133 1.943 -15.335 1.00 0.00 C ATOM 1473 O ASP A 93 -0.982 1.234 -16.312 1.00 0.00 O ATOM 1474 CB ASP A 93 0.653 3.690 -15.294 1.00 0.00 C ATOM 1475 CG ASP A 93 -0.433 4.751 -15.483 1.00 0.00 C ATOM 1476 OD1 ASP A 93 -0.585 5.578 -14.598 1.00 0.00 O ATOM 1477 OD2 ASP A 93 -1.094 4.716 -16.505 1.00 0.00 O ATOM 0 H ASP A 93 1.979 1.616 -14.918 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.259 2.794 -13.561 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.488 4.105 -14.730 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.046 3.380 -16.262 1.00 0.00 H new ATOM 1482 N GLU A 94 -2.324 2.268 -14.912 1.00 0.00 N ATOM 1483 CA GLU A 94 -3.534 1.773 -15.626 1.00 0.00 C ATOM 1484 C GLU A 94 -4.764 2.535 -15.132 1.00 0.00 C ATOM 1485 O GLU A 94 -4.992 2.665 -13.946 1.00 0.00 O ATOM 1486 CB GLU A 94 -3.715 0.279 -15.341 1.00 0.00 C ATOM 1487 CG GLU A 94 -3.337 -0.526 -16.585 1.00 0.00 C ATOM 1488 CD GLU A 94 -2.332 -1.614 -16.199 1.00 0.00 C ATOM 1489 OE1 GLU A 94 -1.346 -1.283 -15.561 1.00 0.00 O ATOM 1490 OE2 GLU A 94 -2.566 -2.759 -16.548 1.00 0.00 O ATOM 0 H GLU A 94 -2.511 2.857 -14.100 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.414 1.930 -16.698 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.092 -0.020 -14.498 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.748 0.074 -15.062 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.227 -0.977 -17.025 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.906 0.131 -17.340 1.00 0.00 H new ATOM 1497 N LEU A 95 -5.557 3.048 -16.033 1.00 0.00 N ATOM 1498 CA LEU A 95 -6.769 3.807 -15.614 1.00 0.00 C ATOM 1499 C LEU A 95 -7.952 2.847 -15.463 1.00 0.00 C ATOM 1500 O LEU A 95 -8.700 2.617 -16.393 1.00 0.00 O ATOM 1501 CB LEU A 95 -7.099 4.858 -16.676 1.00 0.00 C ATOM 1502 CG LEU A 95 -6.523 6.209 -16.254 1.00 0.00 C ATOM 1503 CD1 LEU A 95 -7.109 6.613 -14.899 1.00 0.00 C ATOM 1504 CD2 LEU A 95 -5.001 6.100 -16.139 1.00 0.00 C ATOM 0 H LEU A 95 -5.418 2.974 -17.041 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.578 4.297 -14.659 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.685 4.559 -17.639 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.179 4.935 -16.803 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.779 6.962 -16.999 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.698 7.577 -14.598 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.193 6.690 -14.980 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.853 5.860 -14.153 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.589 7.063 -15.838 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.745 5.347 -15.393 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.583 5.812 -17.104 1.00 0.00 H new ATOM 1516 N THR A 96 -8.131 2.287 -14.296 1.00 0.00 N ATOM 1517 CA THR A 96 -9.268 1.344 -14.086 1.00 0.00 C ATOM 1518 C THR A 96 -9.803 1.502 -12.662 1.00 0.00 C ATOM 1519 O THR A 96 -9.425 2.402 -11.941 1.00 0.00 O ATOM 1520 CB THR A 96 -8.786 -0.094 -14.291 1.00 0.00 C ATOM 1521 OG1 THR A 96 -7.366 -0.115 -14.327 1.00 0.00 O ATOM 1522 CG2 THR A 96 -9.341 -0.640 -15.607 1.00 0.00 C ATOM 0 H THR A 96 -7.539 2.442 -13.480 1.00 0.00 H new ATOM 0 HA THR A 96 -10.060 1.566 -14.801 1.00 0.00 H new ATOM 0 HB THR A 96 -9.138 -0.716 -13.468 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.056 -1.035 -14.456 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.996 -1.664 -15.750 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.430 -0.625 -15.577 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.993 -0.021 -16.434 1.00 0.00 H new ATOM 1530 N GLY A 97 -10.683 0.628 -12.249 1.00 0.00 N ATOM 1531 CA GLY A 97 -11.240 0.726 -10.870 1.00 0.00 C ATOM 1532 C GLY A 97 -12.465 1.643 -10.873 1.00 0.00 C ATOM 1533 O GLY A 97 -12.353 2.846 -11.010 1.00 0.00 O ATOM 0 H GLY A 97 -11.039 -0.148 -12.807 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -11.516 -0.264 -10.508 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.484 1.116 -10.189 1.00 0.00 H new ATOM 1537 N PHE A 98 -13.634 1.084 -10.721 1.00 0.00 N ATOM 1538 CA PHE A 98 -14.865 1.922 -10.711 1.00 0.00 C ATOM 1539 C PHE A 98 -15.321 2.138 -9.266 1.00 0.00 C ATOM 1540 O PHE A 98 -15.038 3.196 -8.728 1.00 0.00 O ATOM 1541 CB PHE A 98 -15.973 1.210 -11.492 1.00 0.00 C ATOM 1542 CG PHE A 98 -16.710 2.208 -12.353 1.00 0.00 C ATOM 1543 CD1 PHE A 98 -16.788 3.550 -11.961 1.00 0.00 C ATOM 1544 CD2 PHE A 98 -17.315 1.790 -13.545 1.00 0.00 C ATOM 1545 CE1 PHE A 98 -17.474 4.474 -12.761 1.00 0.00 C ATOM 1546 CE2 PHE A 98 -18.000 2.713 -14.344 1.00 0.00 C ATOM 1547 CZ PHE A 98 -18.080 4.055 -13.952 1.00 0.00 C ATOM 1548 OXT PHE A 98 -15.942 1.240 -8.719 1.00 0.00 O ATOM 0 H PHE A 98 -13.789 0.083 -10.603 1.00 0.00 H new ATOM 0 HA PHE A 98 -14.653 2.885 -11.175 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -15.545 0.424 -12.114 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -16.666 0.729 -10.802 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -16.320 3.873 -11.043 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -17.253 0.755 -13.848 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -17.535 5.509 -12.459 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -18.467 2.390 -15.263 1.00 0.00 H new ATOM 0 HZ PHE A 98 -18.609 4.767 -14.568 1.00 0.00 H new TER 1558 PHE A 98