USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 613 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 NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot 52:sc=-0.00115 USER MOD Set 1.2: A 48 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -57:sc= 0.629 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.797 X(o=-0.8,f=-0.69) USER MOD Single : A 10 HIS : no HD1:sc=-0.00702 X(o=-0.007,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= -0.03 (180deg=-0.239) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.523 K(o=-0.52,f=0.055) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.31) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.087 X(o=0.087,f=-0.087) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -5.44! C(o=-5.4!,f=-6.5!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.06) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -59:sc= 1.22 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.982 81.048 -8.816 1.00 0.00 N ATOM 2 CA GLY A 1 -33.103 79.939 -8.493 1.00 0.00 C ATOM 3 C GLY A 1 -32.238 79.524 -9.667 1.00 0.00 C ATOM 4 O GLY A 1 -31.050 79.843 -9.714 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.552 81.294 -7.981 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.413 81.870 -9.101 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.612 80.775 -9.597 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.464 80.218 -7.655 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.701 79.088 -8.168 1.00 0.00 H new ATOM 8 N SER A 2 -32.835 78.810 -10.616 1.00 0.00 N ATOM 9 CA SER A 2 -32.109 78.346 -11.793 1.00 0.00 C ATOM 10 C SER A 2 -31.023 77.348 -11.403 1.00 0.00 C ATOM 11 O SER A 2 -29.894 77.423 -11.886 1.00 0.00 O ATOM 12 CB SER A 2 -31.487 79.530 -12.535 1.00 0.00 C ATOM 13 OG SER A 2 -30.863 79.110 -13.736 1.00 0.00 O ATOM 0 H SER A 2 -33.818 78.540 -10.593 1.00 0.00 H new ATOM 0 HA SER A 2 -32.818 77.846 -12.453 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.258 80.267 -12.761 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.755 80.021 -11.894 1.00 0.00 H new ATOM 0 HG SER A 2 -30.193 78.424 -13.534 1.00 0.00 H new ATOM 19 N SER A 3 -31.374 76.414 -10.525 1.00 0.00 N ATOM 20 CA SER A 3 -30.429 75.402 -10.066 1.00 0.00 C ATOM 21 C SER A 3 -31.065 74.015 -10.089 1.00 0.00 C ATOM 22 O SER A 3 -32.286 73.879 -10.036 1.00 0.00 O ATOM 23 CB SER A 3 -29.945 75.731 -8.652 1.00 0.00 C ATOM 24 OG SER A 3 -28.655 75.194 -8.417 1.00 0.00 O ATOM 0 H SER A 3 -32.306 76.337 -10.117 1.00 0.00 H new ATOM 0 HA SER A 3 -29.575 75.402 -10.744 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.923 76.812 -8.514 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.648 75.331 -7.921 1.00 0.00 H new ATOM 0 HG SER A 3 -28.368 75.419 -7.508 1.00 0.00 H new ATOM 30 N GLY A 4 -30.225 72.988 -10.168 1.00 0.00 N ATOM 31 CA GLY A 4 -30.721 71.624 -10.197 1.00 0.00 C ATOM 32 C GLY A 4 -29.612 70.607 -10.380 1.00 0.00 C ATOM 33 O GLY A 4 -28.469 70.969 -10.658 1.00 0.00 O ATOM 0 H GLY A 4 -29.210 73.076 -10.212 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -31.252 71.414 -9.269 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.442 71.520 -11.008 1.00 0.00 H new ATOM 37 N SER A 5 -29.949 69.332 -10.222 1.00 0.00 N ATOM 38 CA SER A 5 -28.972 68.259 -10.366 1.00 0.00 C ATOM 39 C SER A 5 -29.653 66.894 -10.322 1.00 0.00 C ATOM 40 O SER A 5 -30.835 66.788 -9.997 1.00 0.00 O ATOM 41 CB SER A 5 -27.917 68.350 -9.262 1.00 0.00 C ATOM 42 OG SER A 5 -28.446 67.935 -8.015 1.00 0.00 O ATOM 0 H SER A 5 -30.892 69.016 -9.994 1.00 0.00 H new ATOM 0 HA SER A 5 -28.485 68.372 -11.335 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.060 67.729 -9.522 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.555 69.375 -9.184 1.00 0.00 H new ATOM 0 HG SER A 5 -27.751 68.001 -7.327 1.00 0.00 H new ATOM 48 N SER A 6 -28.896 65.852 -10.653 1.00 0.00 N ATOM 49 CA SER A 6 -29.426 64.494 -10.656 1.00 0.00 C ATOM 50 C SER A 6 -28.321 63.480 -10.938 1.00 0.00 C ATOM 51 O SER A 6 -27.266 63.826 -11.467 1.00 0.00 O ATOM 52 CB SER A 6 -30.536 64.359 -11.701 1.00 0.00 C ATOM 53 OG SER A 6 -31.400 63.279 -11.390 1.00 0.00 O ATOM 0 H SER A 6 -27.915 65.923 -10.922 1.00 0.00 H new ATOM 0 HA SER A 6 -29.840 64.290 -9.668 1.00 0.00 H new ATOM 0 HB2 SER A 6 -31.109 65.285 -11.749 1.00 0.00 H new ATOM 0 HB3 SER A 6 -30.096 64.205 -12.686 1.00 0.00 H new ATOM 0 HG SER A 6 -32.101 63.215 -12.071 1.00 0.00 H new ATOM 59 N GLY A 7 -28.573 62.225 -10.579 1.00 0.00 N ATOM 60 CA GLY A 7 -27.591 61.179 -10.801 1.00 0.00 C ATOM 61 C GLY A 7 -27.617 60.121 -9.716 1.00 0.00 C ATOM 62 O GLY A 7 -27.627 60.441 -8.527 1.00 0.00 O ATOM 0 H GLY A 7 -29.439 61.914 -10.139 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.777 60.709 -11.767 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -26.596 61.622 -10.848 1.00 0.00 H new ATOM 66 N ILE A 8 -27.629 58.857 -10.125 1.00 0.00 N ATOM 67 CA ILE A 8 -27.654 57.748 -9.179 1.00 0.00 C ATOM 68 C ILE A 8 -26.883 56.548 -9.718 1.00 0.00 C ATOM 69 O ILE A 8 -26.906 56.269 -10.917 1.00 0.00 O ATOM 70 CB ILE A 8 -29.097 57.315 -8.857 1.00 0.00 C ATOM 71 CG1 ILE A 8 -29.882 58.485 -8.260 1.00 0.00 C ATOM 72 CG2 ILE A 8 -29.094 56.130 -7.904 1.00 0.00 C ATOM 73 CD1 ILE A 8 -31.373 58.237 -8.188 1.00 0.00 C ATOM 0 H ILE A 8 -27.622 58.575 -11.105 1.00 0.00 H new ATOM 0 HA ILE A 8 -27.177 58.102 -8.265 1.00 0.00 H new ATOM 0 HB ILE A 8 -29.585 57.010 -9.783 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -29.507 58.690 -7.257 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -29.699 59.378 -8.858 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -30.121 55.836 -7.686 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -28.567 55.294 -8.364 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -28.592 56.409 -6.978 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -31.866 59.107 -7.755 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -31.762 58.062 -9.191 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -31.567 57.363 -7.566 1.00 0.00 H new ATOM 85 N HIS A 9 -26.203 55.838 -8.823 1.00 0.00 N ATOM 86 CA HIS A 9 -25.426 54.665 -9.208 1.00 0.00 C ATOM 87 C HIS A 9 -25.356 53.660 -8.062 1.00 0.00 C ATOM 88 O HIS A 9 -25.066 54.022 -6.922 1.00 0.00 O ATOM 89 CB HIS A 9 -24.015 55.077 -9.627 1.00 0.00 C ATOM 90 CG HIS A 9 -23.984 55.981 -10.821 1.00 0.00 C ATOM 91 ND1 HIS A 9 -23.680 57.324 -10.740 1.00 0.00 N ATOM 92 CD2 HIS A 9 -24.221 55.729 -12.129 1.00 0.00 C ATOM 93 CE1 HIS A 9 -23.733 57.859 -11.947 1.00 0.00 C ATOM 94 NE2 HIS A 9 -24.058 56.912 -12.808 1.00 0.00 N ATOM 0 H HIS A 9 -26.174 56.054 -7.827 1.00 0.00 H new ATOM 0 HA HIS A 9 -25.924 54.191 -10.054 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -23.528 55.577 -8.790 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -23.433 54.181 -9.845 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -24.489 54.775 -12.559 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.543 58.894 -12.188 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.170 57.038 -13.814 1.00 0.00 H new ATOM 102 N HIS A 10 -25.625 52.396 -8.373 1.00 0.00 N ATOM 103 CA HIS A 10 -25.593 51.338 -7.370 1.00 0.00 C ATOM 104 C HIS A 10 -25.328 49.982 -8.017 1.00 0.00 C ATOM 105 O HIS A 10 -26.040 49.571 -8.935 1.00 0.00 O ATOM 106 CB HIS A 10 -26.912 51.298 -6.597 1.00 0.00 C ATOM 107 CG HIS A 10 -26.864 50.435 -5.374 1.00 0.00 C ATOM 108 ND1 HIS A 10 -26.660 50.937 -4.106 1.00 0.00 N ATOM 109 CD2 HIS A 10 -26.997 49.096 -5.230 1.00 0.00 C ATOM 110 CE1 HIS A 10 -26.668 49.944 -3.235 1.00 0.00 C ATOM 111 NE2 HIS A 10 -26.871 48.816 -3.892 1.00 0.00 N ATOM 0 H HIS A 10 -25.868 52.080 -9.312 1.00 0.00 H new ATOM 0 HA HIS A 10 -24.780 51.555 -6.677 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -27.183 52.313 -6.305 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -27.700 50.935 -7.257 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -27.170 48.381 -6.021 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -26.532 50.038 -2.168 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -26.925 47.888 -3.473 1.00 0.00 H new ATOM 119 N LEU A 11 -24.300 49.292 -7.535 1.00 0.00 N ATOM 120 CA LEU A 11 -23.941 47.982 -8.068 1.00 0.00 C ATOM 121 C LEU A 11 -24.185 46.888 -7.033 1.00 0.00 C ATOM 122 O LEU A 11 -23.928 47.059 -5.841 1.00 0.00 O ATOM 123 CB LEU A 11 -22.474 47.972 -8.502 1.00 0.00 C ATOM 124 CG LEU A 11 -22.166 48.642 -9.841 1.00 0.00 C ATOM 125 CD1 LEU A 11 -20.736 49.161 -9.862 1.00 0.00 C ATOM 126 CD2 LEU A 11 -22.399 47.671 -10.990 1.00 0.00 C ATOM 0 H LEU A 11 -23.701 49.617 -6.777 1.00 0.00 H new ATOM 0 HA LEU A 11 -24.572 47.783 -8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -21.884 48.463 -7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -22.137 46.936 -8.551 1.00 0.00 H new ATOM 0 HG LEU A 11 -22.841 49.489 -9.965 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -20.535 49.635 -10.823 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -20.602 49.890 -9.063 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -20.045 48.331 -9.715 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -22.175 48.165 -11.935 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -21.749 46.804 -10.871 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -23.440 47.348 -10.988 1.00 0.00 H new ATOM 138 N PRO A 12 -24.691 45.737 -7.498 1.00 0.00 N ATOM 139 CA PRO A 12 -24.978 44.591 -6.630 1.00 0.00 C ATOM 140 C PRO A 12 -23.709 43.933 -6.100 1.00 0.00 C ATOM 141 O PRO A 12 -22.748 43.701 -6.834 1.00 0.00 O ATOM 142 CB PRO A 12 -25.735 43.629 -7.550 1.00 0.00 C ATOM 143 CG PRO A 12 -25.279 43.982 -8.924 1.00 0.00 C ATOM 144 CD PRO A 12 -25.022 45.464 -8.907 1.00 0.00 C ATOM 0 HA PRO A 12 -25.539 44.883 -5.742 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -25.506 42.590 -7.311 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -26.813 43.749 -7.448 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -24.376 43.432 -9.189 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -26.037 43.726 -9.665 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -24.203 45.737 -9.572 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -25.897 46.027 -9.231 1.00 0.00 H new ATOM 152 N PRO A 13 -23.703 43.623 -4.795 1.00 0.00 N ATOM 153 CA PRO A 13 -22.557 42.986 -4.138 1.00 0.00 C ATOM 154 C PRO A 13 -22.365 41.540 -4.583 1.00 0.00 C ATOM 155 O PRO A 13 -23.279 40.919 -5.125 1.00 0.00 O ATOM 156 CB PRO A 13 -22.922 43.044 -2.653 1.00 0.00 C ATOM 157 CG PRO A 13 -24.411 43.103 -2.631 1.00 0.00 C ATOM 158 CD PRO A 13 -24.813 43.870 -3.860 1.00 0.00 C ATOM 0 HA PRO A 13 -21.619 43.485 -4.380 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -22.553 42.168 -2.120 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.484 43.918 -2.171 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -24.841 42.102 -2.638 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -24.769 43.598 -1.728 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -25.763 43.516 -4.261 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -24.932 44.933 -3.649 1.00 0.00 H new ATOM 166 N VAL A 14 -21.169 41.008 -4.349 1.00 0.00 N ATOM 167 CA VAL A 14 -20.857 39.634 -4.725 1.00 0.00 C ATOM 168 C VAL A 14 -20.002 38.955 -3.661 1.00 0.00 C ATOM 169 O VAL A 14 -18.853 39.336 -3.434 1.00 0.00 O ATOM 170 CB VAL A 14 -20.119 39.575 -6.075 1.00 0.00 C ATOM 171 CG1 VAL A 14 -19.739 38.142 -6.414 1.00 0.00 C ATOM 172 CG2 VAL A 14 -20.975 40.183 -7.176 1.00 0.00 C ATOM 0 H VAL A 14 -20.401 41.508 -3.901 1.00 0.00 H new ATOM 0 HA VAL A 14 -21.807 39.107 -4.816 1.00 0.00 H new ATOM 0 HB VAL A 14 -19.202 40.159 -5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -19.218 38.120 -7.371 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -19.086 37.745 -5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -20.640 37.532 -6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -20.438 40.133 -8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.910 39.628 -7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.191 41.224 -6.936 1.00 0.00 H new ATOM 182 N LYS A 15 -20.569 37.945 -3.010 1.00 0.00 N ATOM 183 CA LYS A 15 -19.859 37.209 -1.970 1.00 0.00 C ATOM 184 C LYS A 15 -20.357 35.770 -1.886 1.00 0.00 C ATOM 185 O LYS A 15 -21.502 35.478 -2.229 1.00 0.00 O ATOM 186 CB LYS A 15 -20.036 37.901 -0.617 1.00 0.00 C ATOM 187 CG LYS A 15 -21.426 37.740 -0.028 1.00 0.00 C ATOM 188 CD LYS A 15 -21.591 38.554 1.245 1.00 0.00 C ATOM 189 CE LYS A 15 -23.041 38.954 1.467 1.00 0.00 C ATOM 190 NZ LYS A 15 -23.843 37.838 2.041 1.00 0.00 N ATOM 0 H LYS A 15 -21.519 37.617 -3.184 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.800 37.194 -2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -19.305 37.500 0.085 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -19.820 38.963 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -22.171 38.053 -0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -21.612 36.687 0.186 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -21.238 37.974 2.097 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -20.970 39.448 1.189 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -23.082 39.813 2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -23.480 39.267 0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -24.825 38.151 2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -23.825 37.027 1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -23.439 37.556 2.957 1.00 0.00 H new ATOM 204 N ALA A 16 -19.489 34.874 -1.426 1.00 0.00 N ATOM 205 CA ALA A 16 -19.843 33.466 -1.294 1.00 0.00 C ATOM 206 C ALA A 16 -18.796 32.712 -0.481 1.00 0.00 C ATOM 207 O ALA A 16 -17.591 32.909 -0.641 1.00 0.00 O ATOM 208 CB ALA A 16 -20.006 32.832 -2.667 1.00 0.00 C ATOM 0 H ALA A 16 -18.536 35.098 -1.139 1.00 0.00 H new ATOM 0 HA ALA A 16 -20.793 33.403 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.270 31.781 -2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.795 33.347 -3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.069 32.913 -3.219 1.00 0.00 H new ATOM 214 N PRO A 17 -19.263 31.827 0.411 1.00 0.00 N ATOM 215 CA PRO A 17 -18.383 31.025 1.267 1.00 0.00 C ATOM 216 C PRO A 17 -17.612 29.971 0.479 1.00 0.00 C ATOM 217 O PRO A 17 -18.156 29.336 -0.425 1.00 0.00 O ATOM 218 CB PRO A 17 -19.352 30.358 2.246 1.00 0.00 C ATOM 219 CG PRO A 17 -20.652 30.312 1.521 1.00 0.00 C ATOM 220 CD PRO A 17 -20.687 31.541 0.655 1.00 0.00 C ATOM 0 HA PRO A 17 -17.619 31.634 1.751 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -19.014 29.358 2.517 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.435 30.928 3.171 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.731 29.407 0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.488 30.303 2.220 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.226 31.362 -0.275 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -21.184 32.372 1.156 1.00 0.00 H new ATOM 228 N LEU A 18 -16.344 29.789 0.828 1.00 0.00 N ATOM 229 CA LEU A 18 -15.497 28.811 0.154 1.00 0.00 C ATOM 230 C LEU A 18 -15.592 27.448 0.833 1.00 0.00 C ATOM 231 O LEU A 18 -14.807 27.135 1.728 1.00 0.00 O ATOM 232 CB LEU A 18 -14.044 29.287 0.141 1.00 0.00 C ATOM 233 CG LEU A 18 -13.751 30.528 -0.704 1.00 0.00 C ATOM 234 CD1 LEU A 18 -14.109 31.792 0.063 1.00 0.00 C ATOM 235 CD2 LEU A 18 -12.290 30.553 -1.125 1.00 0.00 C ATOM 0 H LEU A 18 -15.879 30.306 1.574 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.848 28.710 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.741 29.491 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.418 28.471 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 18 -14.366 30.486 -1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.894 32.665 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -15.170 31.777 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.520 31.841 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.100 31.443 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.656 30.571 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.066 29.663 -1.713 1.00 0.00 H new ATOM 247 N GLN A 19 -16.557 26.643 0.401 1.00 0.00 N ATOM 248 CA GLN A 19 -16.753 25.314 0.967 1.00 0.00 C ATOM 249 C GLN A 19 -16.661 24.242 -0.114 1.00 0.00 C ATOM 250 O GLN A 19 -17.291 24.351 -1.167 1.00 0.00 O ATOM 251 CB GLN A 19 -18.108 25.230 1.671 1.00 0.00 C ATOM 252 CG GLN A 19 -18.475 23.826 2.122 1.00 0.00 C ATOM 253 CD GLN A 19 -19.354 23.820 3.357 1.00 0.00 C ATOM 254 OE1 GLN A 19 -18.944 24.270 4.427 1.00 0.00 O ATOM 255 NE2 GLN A 19 -20.571 23.308 3.215 1.00 0.00 N ATOM 0 H GLN A 19 -17.215 26.888 -0.339 1.00 0.00 H new ATOM 0 HA GLN A 19 -15.962 25.138 1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -18.099 25.890 2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -18.881 25.600 0.997 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -18.991 23.311 1.311 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -17.563 23.265 2.327 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -20.870 22.946 2.309 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -21.207 23.277 4.012 1.00 0.00 H new ATOM 264 N THR A 20 -15.872 23.206 0.151 1.00 0.00 N ATOM 265 CA THR A 20 -15.696 22.116 -0.800 1.00 0.00 C ATOM 266 C THR A 20 -15.706 20.764 -0.094 1.00 0.00 C ATOM 267 O THR A 20 -15.176 20.624 1.008 1.00 0.00 O ATOM 268 CB THR A 20 -14.380 22.262 -1.586 1.00 0.00 C ATOM 269 OG1 THR A 20 -14.295 21.248 -2.593 1.00 0.00 O ATOM 270 CG2 THR A 20 -13.180 22.162 -0.656 1.00 0.00 C ATOM 0 H THR A 20 -15.344 23.099 1.017 1.00 0.00 H new ATOM 0 HA THR A 20 -16.533 22.166 -1.496 1.00 0.00 H new ATOM 0 HB THR A 20 -14.373 23.244 -2.059 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.456 21.349 -3.089 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.262 22.268 -1.234 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.232 22.954 0.091 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.185 21.192 -0.158 1.00 0.00 H new ATOM 278 N LYS A 21 -16.311 19.771 -0.737 1.00 0.00 N ATOM 279 CA LYS A 21 -16.388 18.429 -0.173 1.00 0.00 C ATOM 280 C LYS A 21 -15.441 17.479 -0.897 1.00 0.00 C ATOM 281 O LYS A 21 -15.418 17.425 -2.127 1.00 0.00 O ATOM 282 CB LYS A 21 -17.822 17.900 -0.257 1.00 0.00 C ATOM 283 CG LYS A 21 -18.829 18.746 0.502 1.00 0.00 C ATOM 284 CD LYS A 21 -20.229 18.165 0.408 1.00 0.00 C ATOM 285 CE LYS A 21 -21.174 18.824 1.402 1.00 0.00 C ATOM 286 NZ LYS A 21 -20.984 18.297 2.781 1.00 0.00 N ATOM 0 H LYS A 21 -16.755 19.871 -1.650 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.088 18.484 0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -18.120 17.848 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.848 16.882 0.133 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -18.532 18.815 1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -18.828 19.760 0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -20.612 18.299 -0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.192 17.092 0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -21.010 19.902 1.399 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.205 18.658 1.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -21.646 18.771 3.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -21.165 17.273 2.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -20.008 18.478 3.091 1.00 0.00 H new ATOM 300 N LYS A 22 -14.660 16.728 -0.128 1.00 0.00 N ATOM 301 CA LYS A 22 -13.711 15.777 -0.695 1.00 0.00 C ATOM 302 C LYS A 22 -13.771 14.444 0.042 1.00 0.00 C ATOM 303 O LYS A 22 -14.103 14.391 1.227 1.00 0.00 O ATOM 304 CB LYS A 22 -12.291 16.343 -0.634 1.00 0.00 C ATOM 305 CG LYS A 22 -11.765 16.514 0.781 1.00 0.00 C ATOM 306 CD LYS A 22 -10.466 17.302 0.802 1.00 0.00 C ATOM 307 CE LYS A 22 -10.018 17.601 2.224 1.00 0.00 C ATOM 308 NZ LYS A 22 -10.966 18.510 2.926 1.00 0.00 N ATOM 0 H LYS A 22 -14.666 16.760 0.891 1.00 0.00 H new ATOM 0 HA LYS A 22 -13.983 15.608 -1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.621 15.682 -1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.272 17.309 -1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.512 17.026 1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.605 15.534 1.231 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.689 16.738 0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.597 18.237 0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.930 16.668 2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.027 18.055 2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.507 18.904 3.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.241 19.284 2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.813 17.977 3.208 1.00 0.00 H new ATOM 322 N LYS A 23 -13.446 13.367 -0.665 1.00 0.00 N ATOM 323 CA LYS A 23 -13.459 12.032 -0.077 1.00 0.00 C ATOM 324 C LYS A 23 -12.157 11.294 -0.373 1.00 0.00 C ATOM 325 O LYS A 23 -11.550 11.486 -1.427 1.00 0.00 O ATOM 326 CB LYS A 23 -14.647 11.229 -0.612 1.00 0.00 C ATOM 327 CG LYS A 23 -14.623 11.040 -2.119 1.00 0.00 C ATOM 328 CD LYS A 23 -15.995 10.666 -2.655 1.00 0.00 C ATOM 329 CE LYS A 23 -16.912 11.877 -2.734 1.00 0.00 C ATOM 330 NZ LYS A 23 -18.259 11.519 -3.259 1.00 0.00 N ATOM 0 H LYS A 23 -13.170 13.392 -1.647 1.00 0.00 H new ATOM 0 HA LYS A 23 -13.557 12.138 1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.660 10.251 -0.132 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.572 11.734 -0.332 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.283 11.959 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.905 10.261 -2.378 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.891 10.222 -3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.444 9.910 -2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.014 12.320 -1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.461 12.633 -3.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.854 12.371 -3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.164 11.119 -4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.700 10.816 -2.632 1.00 0.00 H new ATOM 344 N ILE A 24 -11.736 10.449 0.561 1.00 0.00 N ATOM 345 CA ILE A 24 -10.508 9.681 0.398 1.00 0.00 C ATOM 346 C ILE A 24 -10.340 9.213 -1.043 1.00 0.00 C ATOM 347 O ILE A 24 -11.311 8.846 -1.704 1.00 0.00 O ATOM 348 CB ILE A 24 -10.483 8.455 1.331 1.00 0.00 C ATOM 349 CG1 ILE A 24 -10.574 8.898 2.793 1.00 0.00 C ATOM 350 CG2 ILE A 24 -9.221 7.638 1.097 1.00 0.00 C ATOM 351 CD1 ILE A 24 -11.118 7.829 3.714 1.00 0.00 C ATOM 0 H ILE A 24 -12.227 10.279 1.439 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.684 10.344 0.660 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.346 7.828 1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.583 9.193 3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.210 9.781 2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.217 6.775 1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.195 7.297 0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.345 8.255 1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.155 8.212 4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.122 7.550 3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.470 6.954 3.678 1.00 0.00 H new ATOM 363 N MET A 25 -9.101 9.226 -1.523 1.00 0.00 N ATOM 364 CA MET A 25 -8.805 8.800 -2.886 1.00 0.00 C ATOM 365 C MET A 25 -7.479 8.048 -2.945 1.00 0.00 C ATOM 366 O MET A 25 -6.484 8.478 -2.361 1.00 0.00 O ATOM 367 CB MET A 25 -8.762 10.008 -3.824 1.00 0.00 C ATOM 368 CG MET A 25 -7.658 10.998 -3.489 1.00 0.00 C ATOM 369 SD MET A 25 -7.980 12.646 -4.146 1.00 0.00 S ATOM 370 CE MET A 25 -6.483 13.502 -3.661 1.00 0.00 C ATOM 0 H MET A 25 -8.286 9.527 -0.989 1.00 0.00 H new ATOM 0 HA MET A 25 -9.599 8.127 -3.209 1.00 0.00 H new ATOM 0 HB2 MET A 25 -8.627 9.658 -4.848 1.00 0.00 H new ATOM 0 HB3 MET A 25 -9.723 10.521 -3.787 1.00 0.00 H new ATOM 0 HG2 MET A 25 -7.546 11.058 -2.406 1.00 0.00 H new ATOM 0 HG3 MET A 25 -6.712 10.630 -3.888 1.00 0.00 H new ATOM 0 HE1 MET A 25 -6.531 14.538 -3.997 1.00 0.00 H new ATOM 0 HE2 MET A 25 -6.385 13.477 -2.576 1.00 0.00 H new ATOM 0 HE3 MET A 25 -5.621 13.013 -4.115 1.00 0.00 H new ATOM 380 N LYS A 26 -7.472 6.924 -3.653 1.00 0.00 N ATOM 381 CA LYS A 26 -6.268 6.112 -3.789 1.00 0.00 C ATOM 382 C LYS A 26 -6.112 5.608 -5.220 1.00 0.00 C ATOM 383 O LYS A 26 -7.085 5.200 -5.855 1.00 0.00 O ATOM 384 CB LYS A 26 -6.315 4.927 -2.822 1.00 0.00 C ATOM 385 CG LYS A 26 -5.801 5.257 -1.431 1.00 0.00 C ATOM 386 CD LYS A 26 -5.264 4.022 -0.727 1.00 0.00 C ATOM 387 CE LYS A 26 -5.130 4.249 0.771 1.00 0.00 C ATOM 388 NZ LYS A 26 -4.005 5.169 1.094 1.00 0.00 N ATOM 0 H LYS A 26 -8.287 6.554 -4.142 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.409 6.737 -3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.343 4.571 -2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.724 4.109 -3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.014 6.008 -1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.605 5.693 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.930 3.179 -0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.292 3.757 -1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.060 4.662 1.160 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.972 3.293 1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.947 5.298 2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.113 4.763 0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.168 6.090 0.638 1.00 0.00 H new ATOM 402 N HIS A 27 -4.881 5.637 -5.722 1.00 0.00 N ATOM 403 CA HIS A 27 -4.597 5.180 -7.077 1.00 0.00 C ATOM 404 C HIS A 27 -3.099 4.971 -7.278 1.00 0.00 C ATOM 405 O HIS A 27 -2.283 5.768 -6.813 1.00 0.00 O ATOM 406 CB HIS A 27 -5.124 6.188 -8.099 1.00 0.00 C ATOM 407 CG HIS A 27 -4.839 7.613 -7.736 1.00 0.00 C ATOM 408 ND1 HIS A 27 -5.829 8.557 -7.560 1.00 0.00 N ATOM 409 CD2 HIS A 27 -3.667 8.253 -7.514 1.00 0.00 C ATOM 410 CE1 HIS A 27 -5.278 9.716 -7.248 1.00 0.00 C ATOM 411 NE2 HIS A 27 -3.967 9.558 -7.213 1.00 0.00 N ATOM 0 H HIS A 27 -4.065 5.972 -5.210 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.102 4.226 -7.225 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.680 5.973 -9.071 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.201 6.057 -8.205 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.680 7.818 -7.564 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.809 10.636 -7.054 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.288 10.288 -6.997 1.00 0.00 H new ATOM 419 N CYS A 28 -2.744 3.895 -7.972 1.00 0.00 N ATOM 420 CA CYS A 28 -1.344 3.580 -8.233 1.00 0.00 C ATOM 421 C CYS A 28 -0.550 4.847 -8.537 1.00 0.00 C ATOM 422 O CYS A 28 -1.088 5.818 -9.070 1.00 0.00 O ATOM 423 CB CYS A 28 -1.230 2.600 -9.402 1.00 0.00 C ATOM 424 SG CYS A 28 0.477 2.089 -9.780 1.00 0.00 S ATOM 0 H CYS A 28 -3.407 3.226 -8.364 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.928 3.117 -7.338 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.822 1.713 -9.178 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.666 3.058 -10.290 1.00 0.00 H new ATOM 429 N PHE A 29 0.735 4.829 -8.196 1.00 0.00 N ATOM 430 CA PHE A 29 1.604 5.976 -8.432 1.00 0.00 C ATOM 431 C PHE A 29 2.443 5.772 -9.690 1.00 0.00 C ATOM 432 O PHE A 29 2.890 6.735 -10.315 1.00 0.00 O ATOM 433 CB PHE A 29 2.519 6.206 -7.227 1.00 0.00 C ATOM 434 CG PHE A 29 3.512 7.314 -7.431 1.00 0.00 C ATOM 435 CD1 PHE A 29 3.088 8.590 -7.765 1.00 0.00 C ATOM 436 CD2 PHE A 29 4.870 7.079 -7.288 1.00 0.00 C ATOM 437 CE1 PHE A 29 4.000 9.611 -7.954 1.00 0.00 C ATOM 438 CE2 PHE A 29 5.787 8.097 -7.476 1.00 0.00 C ATOM 439 CZ PHE A 29 5.351 9.364 -7.808 1.00 0.00 C ATOM 0 H PHE A 29 1.197 4.033 -7.756 1.00 0.00 H new ATOM 0 HA PHE A 29 0.974 6.854 -8.574 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.907 6.434 -6.354 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.056 5.283 -7.008 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.033 8.789 -7.879 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.216 6.090 -7.027 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.657 10.601 -8.216 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.843 7.901 -7.363 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.065 10.161 -7.953 1.00 0.00 H new ATOM 449 N LEU A 30 2.654 4.513 -10.056 1.00 0.00 N ATOM 450 CA LEU A 30 3.440 4.181 -11.239 1.00 0.00 C ATOM 451 C LEU A 30 2.663 4.493 -12.514 1.00 0.00 C ATOM 452 O LEU A 30 3.053 5.361 -13.295 1.00 0.00 O ATOM 453 CB LEU A 30 3.833 2.703 -11.217 1.00 0.00 C ATOM 454 CG LEU A 30 4.690 2.218 -12.387 1.00 0.00 C ATOM 455 CD1 LEU A 30 6.024 2.947 -12.410 1.00 0.00 C ATOM 456 CD2 LEU A 30 4.902 0.714 -12.305 1.00 0.00 C ATOM 0 H LEU A 30 2.292 3.705 -9.550 1.00 0.00 H new ATOM 0 HA LEU A 30 4.343 4.791 -11.227 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.373 2.505 -10.291 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.922 2.106 -11.188 1.00 0.00 H new ATOM 0 HG LEU A 30 4.163 2.440 -13.315 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.620 2.589 -13.249 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.852 4.018 -12.518 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.558 2.758 -11.479 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.514 0.386 -13.145 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.407 0.468 -11.371 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.937 0.208 -12.340 1.00 0.00 H new ATOM 468 N CYS A 31 1.560 3.781 -12.718 1.00 0.00 N ATOM 469 CA CYS A 31 0.726 3.982 -13.896 1.00 0.00 C ATOM 470 C CYS A 31 -0.411 4.955 -13.599 1.00 0.00 C ATOM 471 O CYS A 31 -0.662 5.886 -14.363 1.00 0.00 O ATOM 472 CB CYS A 31 0.156 2.646 -14.378 1.00 0.00 C ATOM 473 SG CYS A 31 -0.938 1.827 -13.172 1.00 0.00 S ATOM 0 H CYS A 31 1.223 3.059 -12.082 1.00 0.00 H new ATOM 0 HA CYS A 31 1.349 4.408 -14.682 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.398 2.812 -15.302 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.982 1.976 -14.617 1.00 0.00 H new ATOM 478 N GLY A 32 -1.096 4.732 -12.481 1.00 0.00 N ATOM 479 CA GLY A 32 -2.198 5.597 -12.101 1.00 0.00 C ATOM 480 C GLY A 32 -3.530 4.874 -12.105 1.00 0.00 C ATOM 481 O GLY A 32 -4.584 5.499 -12.224 1.00 0.00 O ATOM 0 H GLY A 32 -0.907 3.968 -11.832 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.011 6.003 -11.107 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.245 6.443 -12.787 1.00 0.00 H new ATOM 485 N LYS A 33 -3.485 3.552 -11.977 1.00 0.00 N ATOM 486 CA LYS A 33 -4.697 2.742 -11.967 1.00 0.00 C ATOM 487 C LYS A 33 -5.615 3.151 -10.819 1.00 0.00 C ATOM 488 O LYS A 33 -5.155 3.429 -9.711 1.00 0.00 O ATOM 489 CB LYS A 33 -4.342 1.258 -11.847 1.00 0.00 C ATOM 490 CG LYS A 33 -5.530 0.332 -12.039 1.00 0.00 C ATOM 491 CD LYS A 33 -5.086 -1.095 -12.314 1.00 0.00 C ATOM 492 CE LYS A 33 -6.234 -2.079 -12.146 1.00 0.00 C ATOM 493 NZ LYS A 33 -7.292 -1.877 -13.174 1.00 0.00 N ATOM 0 H LYS A 33 -2.621 3.019 -11.879 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.224 2.908 -12.907 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.579 1.015 -12.586 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.905 1.076 -10.865 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.157 0.354 -11.148 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.141 0.690 -12.867 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.691 -1.165 -13.327 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.275 -1.362 -11.636 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.852 -3.098 -12.213 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.667 -1.966 -11.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.056 -2.566 -13.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.675 -0.913 -13.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.885 -2.010 -14.122 1.00 0.00 H new ATOM 507 N LYS A 34 -6.915 3.183 -11.090 1.00 0.00 N ATOM 508 CA LYS A 34 -7.899 3.555 -10.080 1.00 0.00 C ATOM 509 C LYS A 34 -8.023 2.469 -9.016 1.00 0.00 C ATOM 510 O LYS A 34 -8.891 1.599 -9.099 1.00 0.00 O ATOM 511 CB LYS A 34 -9.261 3.803 -10.732 1.00 0.00 C ATOM 512 CG LYS A 34 -9.718 2.671 -11.636 1.00 0.00 C ATOM 513 CD LYS A 34 -11.234 2.590 -11.705 1.00 0.00 C ATOM 514 CE LYS A 34 -11.788 3.454 -12.827 1.00 0.00 C ATOM 515 NZ LYS A 34 -11.861 4.890 -12.437 1.00 0.00 N ATOM 0 H LYS A 34 -7.312 2.956 -12.002 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.561 4.473 -9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.006 3.956 -9.951 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.214 4.724 -11.313 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.315 2.819 -12.638 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.319 1.726 -11.268 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.537 1.554 -11.858 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.660 2.910 -10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.159 3.349 -13.711 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.782 3.101 -13.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.519 5.388 -13.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.198 4.967 -11.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.917 5.319 -12.513 1.00 0.00 H new ATOM 529 N THR A 35 -7.150 2.525 -8.015 1.00 0.00 N ATOM 530 CA THR A 35 -7.162 1.547 -6.935 1.00 0.00 C ATOM 531 C THR A 35 -7.949 2.062 -5.735 1.00 0.00 C ATOM 532 O THR A 35 -7.373 2.575 -4.776 1.00 0.00 O ATOM 533 CB THR A 35 -5.733 1.191 -6.483 1.00 0.00 C ATOM 534 OG1 THR A 35 -5.072 2.359 -5.984 1.00 0.00 O ATOM 535 CG2 THR A 35 -4.932 0.601 -7.634 1.00 0.00 C ATOM 0 H THR A 35 -6.425 3.238 -7.930 1.00 0.00 H new ATOM 0 HA THR A 35 -7.645 0.651 -7.326 1.00 0.00 H new ATOM 0 HB THR A 35 -5.801 0.446 -5.690 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.635 2.789 -5.306 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.927 0.358 -7.290 1.00 0.00 H new ATOM 0 HG22 THR A 35 -5.422 -0.304 -7.992 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.873 1.326 -8.445 1.00 0.00 H new ATOM 543 N GLY A 36 -9.270 1.922 -5.795 1.00 0.00 N ATOM 544 CA GLY A 36 -10.114 2.378 -4.706 1.00 0.00 C ATOM 545 C GLY A 36 -10.089 1.436 -3.519 1.00 0.00 C ATOM 546 O GLY A 36 -9.098 1.368 -2.791 1.00 0.00 O ATOM 0 H GLY A 36 -9.770 1.501 -6.578 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.787 3.368 -4.387 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.139 2.480 -5.063 1.00 0.00 H new ATOM 550 N LEU A 37 -11.182 0.707 -3.321 1.00 0.00 N ATOM 551 CA LEU A 37 -11.283 -0.236 -2.212 1.00 0.00 C ATOM 552 C LEU A 37 -10.446 -1.483 -2.480 1.00 0.00 C ATOM 553 O LEU A 37 -9.615 -1.873 -1.661 1.00 0.00 O ATOM 554 CB LEU A 37 -12.743 -0.627 -1.981 1.00 0.00 C ATOM 555 CG LEU A 37 -13.021 -1.484 -0.746 1.00 0.00 C ATOM 556 CD1 LEU A 37 -14.451 -1.282 -0.267 1.00 0.00 C ATOM 557 CD2 LEU A 37 -12.759 -2.953 -1.045 1.00 0.00 C ATOM 0 H LEU A 37 -12.011 0.751 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.898 0.251 -1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.335 0.285 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.097 -1.166 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.345 -1.170 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.631 -1.900 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.604 -0.234 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.144 -1.568 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.962 -3.547 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.409 -3.281 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.718 -3.084 -1.339 1.00 0.00 H new ATOM 569 N ALA A 38 -10.671 -2.103 -3.634 1.00 0.00 N ATOM 570 CA ALA A 38 -9.935 -3.303 -4.012 1.00 0.00 C ATOM 571 C ALA A 38 -8.748 -2.961 -4.906 1.00 0.00 C ATOM 572 O ALA A 38 -8.537 -1.800 -5.258 1.00 0.00 O ATOM 573 CB ALA A 38 -10.858 -4.290 -4.712 1.00 0.00 C ATOM 0 H ALA A 38 -11.357 -1.794 -4.323 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.550 -3.764 -3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.295 -5.181 -4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.670 -4.568 -4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.271 -3.829 -5.609 1.00 0.00 H new ATOM 579 N THR A 39 -7.975 -3.979 -5.271 1.00 0.00 N ATOM 580 CA THR A 39 -6.808 -3.785 -6.122 1.00 0.00 C ATOM 581 C THR A 39 -5.918 -2.668 -5.590 1.00 0.00 C ATOM 582 O THR A 39 -5.361 -1.885 -6.359 1.00 0.00 O ATOM 583 CB THR A 39 -7.217 -3.455 -7.570 1.00 0.00 C ATOM 584 OG1 THR A 39 -8.195 -4.394 -8.029 1.00 0.00 O ATOM 585 CG2 THR A 39 -6.009 -3.480 -8.493 1.00 0.00 C ATOM 0 H THR A 39 -8.136 -4.946 -4.990 1.00 0.00 H new ATOM 0 HA THR A 39 -6.252 -4.723 -6.114 1.00 0.00 H new ATOM 0 HB THR A 39 -7.643 -2.452 -7.584 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.451 -4.176 -8.950 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.323 -3.244 -9.510 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.280 -2.742 -8.158 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.557 -4.472 -8.474 1.00 0.00 H new ATOM 593 N SER A 40 -5.788 -2.600 -4.269 1.00 0.00 N ATOM 594 CA SER A 40 -4.967 -1.576 -3.633 1.00 0.00 C ATOM 595 C SER A 40 -3.934 -2.206 -2.704 1.00 0.00 C ATOM 596 O SER A 40 -4.219 -3.184 -2.012 1.00 0.00 O ATOM 597 CB SER A 40 -5.848 -0.601 -2.848 1.00 0.00 C ATOM 598 OG SER A 40 -6.281 -1.176 -1.628 1.00 0.00 O ATOM 0 H SER A 40 -6.241 -3.242 -3.618 1.00 0.00 H new ATOM 0 HA SER A 40 -4.440 -1.030 -4.416 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.292 0.314 -2.645 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.713 -0.322 -3.450 1.00 0.00 H new ATOM 0 HG SER A 40 -6.841 -0.533 -1.144 1.00 0.00 H new ATOM 604 N PHE A 41 -2.732 -1.639 -2.695 1.00 0.00 N ATOM 605 CA PHE A 41 -1.654 -2.146 -1.853 1.00 0.00 C ATOM 606 C PHE A 41 -0.748 -1.009 -1.389 1.00 0.00 C ATOM 607 O PHE A 41 -0.856 0.119 -1.867 1.00 0.00 O ATOM 608 CB PHE A 41 -0.834 -3.190 -2.612 1.00 0.00 C ATOM 609 CG PHE A 41 -1.603 -4.439 -2.934 1.00 0.00 C ATOM 610 CD1 PHE A 41 -1.738 -5.448 -1.993 1.00 0.00 C ATOM 611 CD2 PHE A 41 -2.191 -4.605 -4.177 1.00 0.00 C ATOM 612 CE1 PHE A 41 -2.446 -6.598 -2.286 1.00 0.00 C ATOM 613 CE2 PHE A 41 -2.901 -5.753 -4.475 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.027 -6.751 -3.529 1.00 0.00 C ATOM 0 H PHE A 41 -2.480 -0.829 -3.261 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.100 -2.614 -0.975 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.468 -2.749 -3.539 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.041 -3.455 -2.018 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.285 -5.334 -1.019 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.094 -3.829 -4.922 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.545 -7.376 -1.544 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.357 -5.869 -5.447 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.579 -7.650 -3.761 1.00 0.00 H new ATOM 624 N GLU A 42 0.144 -1.317 -0.452 1.00 0.00 N ATOM 625 CA GLU A 42 1.068 -0.322 0.078 1.00 0.00 C ATOM 626 C GLU A 42 2.499 -0.852 0.076 1.00 0.00 C ATOM 627 O GLU A 42 2.728 -2.055 0.199 1.00 0.00 O ATOM 628 CB GLU A 42 0.663 0.077 1.499 1.00 0.00 C ATOM 629 CG GLU A 42 -0.294 1.257 1.550 1.00 0.00 C ATOM 630 CD GLU A 42 -1.747 0.834 1.457 1.00 0.00 C ATOM 631 OE1 GLU A 42 -2.012 -0.267 0.932 1.00 0.00 O ATOM 632 OE2 GLU A 42 -2.619 1.605 1.910 1.00 0.00 O ATOM 0 H GLU A 42 0.246 -2.247 -0.045 1.00 0.00 H new ATOM 0 HA GLU A 42 1.023 0.557 -0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.198 -0.778 1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.560 0.322 2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.138 1.807 2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.066 1.941 0.733 1.00 0.00 H new ATOM 639 N CYS A 43 3.460 0.055 -0.067 1.00 0.00 N ATOM 640 CA CYS A 43 4.869 -0.318 -0.086 1.00 0.00 C ATOM 641 C CYS A 43 5.609 0.287 1.103 1.00 0.00 C ATOM 642 O CYS A 43 5.096 1.180 1.777 1.00 0.00 O ATOM 643 CB CYS A 43 5.520 0.138 -1.393 1.00 0.00 C ATOM 644 SG CYS A 43 7.094 -0.698 -1.770 1.00 0.00 S ATOM 0 H CYS A 43 3.288 1.055 -0.172 1.00 0.00 H new ATOM 0 HA CYS A 43 4.933 -1.404 -0.015 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.823 -0.035 -2.213 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.694 1.213 -1.344 1.00 0.00 H new ATOM 649 N ARG A 44 6.818 -0.205 1.353 1.00 0.00 N ATOM 650 CA ARG A 44 7.629 0.287 2.460 1.00 0.00 C ATOM 651 C ARG A 44 8.072 1.726 2.213 1.00 0.00 C ATOM 652 O ARG A 44 8.243 2.504 3.151 1.00 0.00 O ATOM 653 CB ARG A 44 8.853 -0.608 2.660 1.00 0.00 C ATOM 654 CG ARG A 44 8.518 -1.986 3.206 1.00 0.00 C ATOM 655 CD ARG A 44 8.058 -1.915 4.654 1.00 0.00 C ATOM 656 NE ARG A 44 7.513 -3.188 5.119 1.00 0.00 N ATOM 657 CZ ARG A 44 7.277 -3.464 6.397 1.00 0.00 C ATOM 658 NH1 ARG A 44 7.536 -2.560 7.332 1.00 0.00 N ATOM 659 NH2 ARG A 44 6.780 -4.645 6.741 1.00 0.00 N ATOM 0 H ARG A 44 7.257 -0.944 0.804 1.00 0.00 H new ATOM 0 HA ARG A 44 7.019 0.264 3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.370 -0.720 1.707 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.545 -0.115 3.342 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.736 -2.440 2.597 1.00 0.00 H new ATOM 0 HG3 ARG A 44 9.394 -2.630 3.133 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.897 -1.627 5.287 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.301 -1.138 4.756 1.00 0.00 H new ATOM 0 HE ARG A 44 7.302 -3.904 4.424 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.917 -1.651 7.071 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.354 -2.774 8.313 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.579 -5.342 6.024 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.599 -4.856 7.722 1.00 0.00 H new ATOM 673 N CYS A 45 8.257 2.072 0.943 1.00 0.00 N ATOM 674 CA CYS A 45 8.682 3.416 0.571 1.00 0.00 C ATOM 675 C CYS A 45 7.596 4.439 0.896 1.00 0.00 C ATOM 676 O CYS A 45 7.882 5.528 1.391 1.00 0.00 O ATOM 677 CB CYS A 45 9.021 3.472 -0.919 1.00 0.00 C ATOM 678 SG CYS A 45 7.631 3.043 -2.015 1.00 0.00 S ATOM 0 H CYS A 45 8.119 1.440 0.154 1.00 0.00 H new ATOM 0 HA CYS A 45 9.573 3.662 1.149 1.00 0.00 H new ATOM 0 HB2 CYS A 45 9.367 4.476 -1.164 1.00 0.00 H new ATOM 0 HB3 CYS A 45 9.850 2.792 -1.118 1.00 0.00 H new ATOM 683 N GLY A 46 6.348 4.078 0.613 1.00 0.00 N ATOM 684 CA GLY A 46 5.238 4.975 0.881 1.00 0.00 C ATOM 685 C GLY A 46 4.507 5.386 -0.382 1.00 0.00 C ATOM 686 O GLY A 46 3.939 6.475 -0.451 1.00 0.00 O ATOM 0 H GLY A 46 6.086 3.181 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.538 4.489 1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.609 5.865 1.389 1.00 0.00 H new ATOM 690 N ASN A 47 4.523 4.514 -1.384 1.00 0.00 N ATOM 691 CA ASN A 47 3.859 4.794 -2.652 1.00 0.00 C ATOM 692 C ASN A 47 2.835 3.711 -2.980 1.00 0.00 C ATOM 693 O ASN A 47 3.168 2.529 -3.052 1.00 0.00 O ATOM 694 CB ASN A 47 4.888 4.897 -3.780 1.00 0.00 C ATOM 695 CG ASN A 47 5.754 6.136 -3.660 1.00 0.00 C ATOM 696 OD1 ASN A 47 5.248 7.251 -3.542 1.00 0.00 O ATOM 697 ND2 ASN A 47 7.068 5.944 -3.690 1.00 0.00 N ATOM 0 H ASN A 47 4.988 3.607 -1.343 1.00 0.00 H new ATOM 0 HA ASN A 47 3.338 5.747 -2.558 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.523 4.011 -3.771 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.371 4.910 -4.740 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.702 6.740 -3.614 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.443 5.001 -3.789 1.00 0.00 H new ATOM 704 N ASN A 48 1.588 4.124 -3.179 1.00 0.00 N ATOM 705 CA ASN A 48 0.515 3.190 -3.500 1.00 0.00 C ATOM 706 C ASN A 48 0.598 2.746 -4.957 1.00 0.00 C ATOM 707 O ASN A 48 0.707 3.572 -5.864 1.00 0.00 O ATOM 708 CB ASN A 48 -0.847 3.832 -3.227 1.00 0.00 C ATOM 709 CG ASN A 48 -1.940 2.802 -3.016 1.00 0.00 C ATOM 710 OD1 ASN A 48 -2.232 2.414 -1.885 1.00 0.00 O ATOM 711 ND2 ASN A 48 -2.550 2.355 -4.108 1.00 0.00 N ATOM 0 H ASN A 48 1.295 5.100 -3.124 1.00 0.00 H new ATOM 0 HA ASN A 48 0.629 2.312 -2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.776 4.468 -2.345 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.116 4.477 -4.064 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.294 1.662 -4.029 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.275 2.705 -5.026 1.00 0.00 H new ATOM 718 N PHE A 49 0.544 1.436 -5.175 1.00 0.00 N ATOM 719 CA PHE A 49 0.613 0.882 -6.522 1.00 0.00 C ATOM 720 C PHE A 49 -0.482 -0.159 -6.738 1.00 0.00 C ATOM 721 O PHE A 49 -1.083 -0.652 -5.784 1.00 0.00 O ATOM 722 CB PHE A 49 1.986 0.253 -6.767 1.00 0.00 C ATOM 723 CG PHE A 49 3.125 1.220 -6.612 1.00 0.00 C ATOM 724 CD1 PHE A 49 3.310 2.245 -7.526 1.00 0.00 C ATOM 725 CD2 PHE A 49 4.010 1.104 -5.553 1.00 0.00 C ATOM 726 CE1 PHE A 49 4.357 3.137 -7.387 1.00 0.00 C ATOM 727 CE2 PHE A 49 5.058 1.994 -5.408 1.00 0.00 C ATOM 728 CZ PHE A 49 5.232 3.010 -6.327 1.00 0.00 C ATOM 0 H PHE A 49 0.453 0.739 -4.436 1.00 0.00 H new ATOM 0 HA PHE A 49 0.462 1.695 -7.232 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.126 -0.575 -6.073 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.010 -0.166 -7.773 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.628 2.348 -8.357 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.880 0.310 -4.833 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.490 3.932 -8.106 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.740 1.895 -4.577 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.052 3.704 -6.216 1.00 0.00 H new ATOM 738 N CYS A 50 -0.736 -0.488 -8.000 1.00 0.00 N ATOM 739 CA CYS A 50 -1.758 -1.468 -8.345 1.00 0.00 C ATOM 740 C CYS A 50 -1.268 -2.886 -8.064 1.00 0.00 C ATOM 741 O CYS A 50 -0.125 -3.089 -7.657 1.00 0.00 O ATOM 742 CB CYS A 50 -2.148 -1.334 -9.818 1.00 0.00 C ATOM 743 SG CYS A 50 -0.751 -1.502 -10.975 1.00 0.00 S ATOM 0 H CYS A 50 -0.247 -0.089 -8.802 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.634 -1.275 -7.726 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.895 -2.091 -10.055 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.618 -0.363 -9.971 1.00 0.00 H new ATOM 748 N ALA A 51 -2.142 -3.863 -8.286 1.00 0.00 N ATOM 749 CA ALA A 51 -1.798 -5.261 -8.059 1.00 0.00 C ATOM 750 C ALA A 51 -0.643 -5.694 -8.956 1.00 0.00 C ATOM 751 O ALA A 51 0.196 -6.501 -8.556 1.00 0.00 O ATOM 752 CB ALA A 51 -3.012 -6.147 -8.294 1.00 0.00 C ATOM 0 H ALA A 51 -3.093 -3.712 -8.623 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.479 -5.368 -7.022 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.741 -7.189 -8.121 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.810 -5.861 -7.608 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.356 -6.027 -9.321 1.00 0.00 H new ATOM 758 N SER A 52 -0.606 -5.153 -10.169 1.00 0.00 N ATOM 759 CA SER A 52 0.444 -5.488 -11.124 1.00 0.00 C ATOM 760 C SER A 52 1.753 -4.795 -10.757 1.00 0.00 C ATOM 761 O SER A 52 2.838 -5.323 -11.001 1.00 0.00 O ATOM 762 CB SER A 52 0.022 -5.089 -12.539 1.00 0.00 C ATOM 763 OG SER A 52 0.921 -5.606 -13.504 1.00 0.00 O ATOM 0 H SER A 52 -1.291 -4.481 -10.514 1.00 0.00 H new ATOM 0 HA SER A 52 0.602 -6.566 -11.090 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.984 -5.458 -12.740 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.016 -4.003 -12.618 1.00 0.00 H new ATOM 0 HG SER A 52 0.628 -5.338 -14.400 1.00 0.00 H new ATOM 769 N HIS A 53 1.642 -3.608 -10.168 1.00 0.00 N ATOM 770 CA HIS A 53 2.816 -2.842 -9.766 1.00 0.00 C ATOM 771 C HIS A 53 2.906 -2.744 -8.246 1.00 0.00 C ATOM 772 O HIS A 53 3.520 -1.822 -7.709 1.00 0.00 O ATOM 773 CB HIS A 53 2.770 -1.441 -10.376 1.00 0.00 C ATOM 774 CG HIS A 53 2.558 -1.440 -11.859 1.00 0.00 C ATOM 775 ND1 HIS A 53 2.004 -0.376 -12.540 1.00 0.00 N ATOM 776 CD2 HIS A 53 2.830 -2.382 -12.793 1.00 0.00 C ATOM 777 CE1 HIS A 53 1.943 -0.664 -13.828 1.00 0.00 C ATOM 778 NE2 HIS A 53 2.439 -1.875 -14.008 1.00 0.00 N ATOM 0 H HIS A 53 0.752 -3.156 -9.959 1.00 0.00 H new ATOM 0 HA HIS A 53 3.701 -3.361 -10.133 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.969 -0.874 -9.902 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.703 -0.925 -10.150 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.272 -3.351 -12.616 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.554 -0.019 -14.602 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.519 -2.356 -14.904 1.00 0.00 H new ATOM 786 N ARG A 54 2.291 -3.701 -7.559 1.00 0.00 N ATOM 787 CA ARG A 54 2.301 -3.722 -6.101 1.00 0.00 C ATOM 788 C ARG A 54 3.684 -4.089 -5.572 1.00 0.00 C ATOM 789 O ARG A 54 4.049 -3.724 -4.454 1.00 0.00 O ATOM 790 CB ARG A 54 1.262 -4.715 -5.577 1.00 0.00 C ATOM 791 CG ARG A 54 1.701 -6.166 -5.682 1.00 0.00 C ATOM 792 CD ARG A 54 0.557 -7.118 -5.368 1.00 0.00 C ATOM 793 NE ARG A 54 1.036 -8.404 -4.869 1.00 0.00 N ATOM 794 CZ ARG A 54 0.237 -9.429 -4.593 1.00 0.00 C ATOM 795 NH1 ARG A 54 -1.073 -9.319 -4.768 1.00 0.00 N ATOM 796 NH2 ARG A 54 0.748 -10.568 -4.142 1.00 0.00 N ATOM 0 H ARG A 54 1.780 -4.472 -7.988 1.00 0.00 H new ATOM 0 HA ARG A 54 2.049 -2.723 -5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.045 -4.484 -4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.333 -4.584 -6.133 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.074 -6.363 -6.687 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.527 -6.348 -4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.100 -6.663 -4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.039 -7.277 -6.267 1.00 0.00 H new ATOM 0 HE ARG A 54 2.039 -8.522 -4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.470 -8.446 -5.115 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.684 -10.108 -4.555 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.755 -10.657 -4.007 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.134 -11.354 -3.930 1.00 0.00 H new ATOM 810 N TYR A 55 4.449 -4.812 -6.382 1.00 0.00 N ATOM 811 CA TYR A 55 5.790 -5.232 -5.994 1.00 0.00 C ATOM 812 C TYR A 55 6.754 -4.048 -6.000 1.00 0.00 C ATOM 813 O TYR A 55 6.553 -3.074 -6.723 1.00 0.00 O ATOM 814 CB TYR A 55 6.299 -6.322 -6.939 1.00 0.00 C ATOM 815 CG TYR A 55 5.233 -7.311 -7.352 1.00 0.00 C ATOM 816 CD1 TYR A 55 4.536 -8.049 -6.403 1.00 0.00 C ATOM 817 CD2 TYR A 55 4.923 -7.508 -8.692 1.00 0.00 C ATOM 818 CE1 TYR A 55 3.562 -8.954 -6.776 1.00 0.00 C ATOM 819 CE2 TYR A 55 3.949 -8.410 -9.074 1.00 0.00 C ATOM 820 CZ TYR A 55 3.271 -9.131 -8.113 1.00 0.00 C ATOM 821 OH TYR A 55 2.301 -10.031 -8.490 1.00 0.00 O ATOM 0 H TYR A 55 4.163 -5.119 -7.312 1.00 0.00 H new ATOM 0 HA TYR A 55 5.740 -5.632 -4.981 1.00 0.00 H new ATOM 0 HB2 TYR A 55 6.713 -5.853 -7.832 1.00 0.00 H new ATOM 0 HB3 TYR A 55 7.114 -6.860 -6.454 1.00 0.00 H new ATOM 0 HD1 TYR A 55 4.760 -7.912 -5.355 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.452 -6.947 -9.448 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.031 -9.520 -6.025 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.719 -8.550 -10.120 1.00 0.00 H new ATOM 0 HH TYR A 55 2.219 -10.034 -9.467 1.00 0.00 H new ATOM 831 N ALA A 56 7.801 -4.143 -5.187 1.00 0.00 N ATOM 832 CA ALA A 56 8.797 -3.083 -5.098 1.00 0.00 C ATOM 833 C ALA A 56 9.485 -2.863 -6.442 1.00 0.00 C ATOM 834 O ALA A 56 9.341 -1.807 -7.056 1.00 0.00 O ATOM 835 CB ALA A 56 9.824 -3.412 -4.025 1.00 0.00 C ATOM 0 H ALA A 56 7.981 -4.943 -4.581 1.00 0.00 H new ATOM 0 HA ALA A 56 8.286 -2.160 -4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.562 -2.611 -3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.324 -3.512 -3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.323 -4.349 -4.274 1.00 0.00 H new ATOM 841 N GLU A 57 10.233 -3.866 -6.890 1.00 0.00 N ATOM 842 CA GLU A 57 10.944 -3.780 -8.160 1.00 0.00 C ATOM 843 C GLU A 57 10.021 -3.278 -9.267 1.00 0.00 C ATOM 844 O GLU A 57 10.422 -2.473 -10.107 1.00 0.00 O ATOM 845 CB GLU A 57 11.520 -5.145 -8.541 1.00 0.00 C ATOM 846 CG GLU A 57 10.459 -6.196 -8.823 1.00 0.00 C ATOM 847 CD GLU A 57 11.051 -7.511 -9.293 1.00 0.00 C ATOM 848 OE1 GLU A 57 11.682 -7.526 -10.371 1.00 0.00 O ATOM 849 OE2 GLU A 57 10.884 -8.525 -8.583 1.00 0.00 O ATOM 0 H GLU A 57 10.362 -4.747 -6.393 1.00 0.00 H new ATOM 0 HA GLU A 57 11.762 -3.069 -8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.150 -5.031 -9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.163 -5.497 -7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.874 -6.368 -7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.772 -5.819 -9.581 1.00 0.00 H new ATOM 856 N ALA A 58 8.783 -3.761 -9.262 1.00 0.00 N ATOM 857 CA ALA A 58 7.802 -3.361 -10.263 1.00 0.00 C ATOM 858 C ALA A 58 7.768 -1.845 -10.424 1.00 0.00 C ATOM 859 O ALA A 58 7.640 -1.331 -11.535 1.00 0.00 O ATOM 860 CB ALA A 58 6.423 -3.886 -9.891 1.00 0.00 C ATOM 0 H ALA A 58 8.436 -4.430 -8.575 1.00 0.00 H new ATOM 0 HA ALA A 58 8.098 -3.795 -11.218 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.701 -3.579 -10.648 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.451 -4.974 -9.836 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.128 -3.481 -8.923 1.00 0.00 H new ATOM 866 N HIS A 59 7.884 -1.134 -9.307 1.00 0.00 N ATOM 867 CA HIS A 59 7.866 0.325 -9.324 1.00 0.00 C ATOM 868 C HIS A 59 9.192 0.890 -8.823 1.00 0.00 C ATOM 869 O HIS A 59 9.236 1.972 -8.241 1.00 0.00 O ATOM 870 CB HIS A 59 6.717 0.852 -8.465 1.00 0.00 C ATOM 871 CG HIS A 59 6.839 0.494 -7.016 1.00 0.00 C ATOM 872 ND1 HIS A 59 6.009 -0.414 -6.393 1.00 0.00 N ATOM 873 CD2 HIS A 59 7.702 0.925 -6.067 1.00 0.00 C ATOM 874 CE1 HIS A 59 6.355 -0.524 -5.123 1.00 0.00 C ATOM 875 NE2 HIS A 59 7.380 0.278 -4.899 1.00 0.00 N ATOM 0 H HIS A 59 7.991 -1.544 -8.379 1.00 0.00 H new ATOM 0 HA HIS A 59 7.718 0.650 -10.354 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.671 1.937 -8.560 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.776 0.458 -8.850 1.00 0.00 H new ATOM 0 HD1 HIS A 59 5.247 -0.921 -6.843 1.00 0.00 H new ATOM 0 HD2 HIS A 59 8.496 1.644 -6.203 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.880 -1.162 -4.392 1.00 0.00 H new ATOM 883 N GLY A 60 10.271 0.149 -9.055 1.00 0.00 N ATOM 884 CA GLY A 60 11.583 0.592 -8.620 1.00 0.00 C ATOM 885 C GLY A 60 11.559 1.200 -7.231 1.00 0.00 C ATOM 886 O GLY A 60 11.725 2.410 -7.072 1.00 0.00 O ATOM 0 H GLY A 60 10.260 -0.750 -9.536 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.271 -0.254 -8.631 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.968 1.326 -9.328 1.00 0.00 H new ATOM 890 N CYS A 61 11.350 0.360 -6.223 1.00 0.00 N ATOM 891 CA CYS A 61 11.302 0.821 -4.841 1.00 0.00 C ATOM 892 C CYS A 61 12.600 1.526 -4.457 1.00 0.00 C ATOM 893 O CYS A 61 13.676 1.167 -4.932 1.00 0.00 O ATOM 894 CB CYS A 61 11.050 -0.357 -3.897 1.00 0.00 C ATOM 895 SG CYS A 61 10.360 0.121 -2.280 1.00 0.00 S ATOM 0 H CYS A 61 11.211 -0.644 -6.338 1.00 0.00 H new ATOM 0 HA CYS A 61 10.482 1.533 -4.750 1.00 0.00 H new ATOM 0 HB2 CYS A 61 10.367 -1.056 -4.380 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.988 -0.888 -3.737 1.00 0.00 H new ATOM 900 N ASN A 62 12.488 2.531 -3.594 1.00 0.00 N ATOM 901 CA ASN A 62 13.652 3.287 -3.147 1.00 0.00 C ATOM 902 C ASN A 62 13.822 3.179 -1.634 1.00 0.00 C ATOM 903 O ASN A 62 14.262 4.124 -0.979 1.00 0.00 O ATOM 904 CB ASN A 62 13.519 4.756 -3.552 1.00 0.00 C ATOM 905 CG ASN A 62 12.130 5.305 -3.289 1.00 0.00 C ATOM 906 OD1 ASN A 62 11.349 5.518 -4.216 1.00 0.00 O ATOM 907 ND2 ASN A 62 11.817 5.537 -2.020 1.00 0.00 N ATOM 0 H ASN A 62 11.604 2.840 -3.191 1.00 0.00 H new ATOM 0 HA ASN A 62 14.535 2.864 -3.626 1.00 0.00 H new ATOM 0 HB2 ASN A 62 14.251 5.349 -3.003 1.00 0.00 H new ATOM 0 HB3 ASN A 62 13.753 4.861 -4.611 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.897 5.907 -1.781 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.497 5.345 -1.284 1.00 0.00 H new ATOM 914 N TYR A 63 13.471 2.021 -1.086 1.00 0.00 N ATOM 915 CA TYR A 63 13.583 1.789 0.349 1.00 0.00 C ATOM 916 C TYR A 63 14.920 1.141 0.694 1.00 0.00 C ATOM 917 O TYR A 63 15.420 1.278 1.811 1.00 0.00 O ATOM 918 CB TYR A 63 12.434 0.904 0.835 1.00 0.00 C ATOM 919 CG TYR A 63 12.542 0.518 2.293 1.00 0.00 C ATOM 920 CD1 TYR A 63 13.518 -0.372 2.726 1.00 0.00 C ATOM 921 CD2 TYR A 63 11.669 1.043 3.237 1.00 0.00 C ATOM 922 CE1 TYR A 63 13.620 -0.728 4.057 1.00 0.00 C ATOM 923 CE2 TYR A 63 11.764 0.694 4.571 1.00 0.00 C ATOM 924 CZ TYR A 63 12.741 -0.192 4.975 1.00 0.00 C ATOM 925 OH TYR A 63 12.840 -0.543 6.302 1.00 0.00 O ATOM 0 H TYR A 63 13.106 1.228 -1.614 1.00 0.00 H new ATOM 0 HA TYR A 63 13.527 2.754 0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 63 11.491 1.427 0.675 1.00 0.00 H new ATOM 0 HB3 TYR A 63 12.403 -0.002 0.229 1.00 0.00 H new ATOM 0 HD1 TYR A 63 14.208 -0.792 2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.902 1.736 2.923 1.00 0.00 H new ATOM 0 HE1 TYR A 63 14.383 -1.422 4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 63 11.078 1.112 5.292 1.00 0.00 H new ATOM 0 HH TYR A 63 12.148 -0.077 6.816 1.00 0.00 H new ATOM 935 N ASP A 64 15.495 0.436 -0.274 1.00 0.00 N ATOM 936 CA ASP A 64 16.776 -0.233 -0.075 1.00 0.00 C ATOM 937 C ASP A 64 16.676 -1.282 1.028 1.00 0.00 C ATOM 938 O ASP A 64 17.491 -1.306 1.950 1.00 0.00 O ATOM 939 CB ASP A 64 17.860 0.789 0.271 1.00 0.00 C ATOM 940 CG ASP A 64 19.255 0.280 -0.036 1.00 0.00 C ATOM 941 OD1 ASP A 64 19.441 -0.955 -0.078 1.00 0.00 O ATOM 942 OD2 ASP A 64 20.161 1.116 -0.236 1.00 0.00 O ATOM 0 H ASP A 64 15.095 0.313 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 64 17.045 -0.735 -1.004 1.00 0.00 H new ATOM 0 HB2 ASP A 64 17.681 1.708 -0.287 1.00 0.00 H new ATOM 0 HB3 ASP A 64 17.793 1.041 1.329 1.00 0.00 H new ATOM 947 N TYR A 65 15.672 -2.145 0.926 1.00 0.00 N ATOM 948 CA TYR A 65 15.463 -3.194 1.917 1.00 0.00 C ATOM 949 C TYR A 65 16.796 -3.757 2.404 1.00 0.00 C ATOM 950 O TYR A 65 17.477 -4.484 1.682 1.00 0.00 O ATOM 951 CB TYR A 65 14.607 -4.317 1.329 1.00 0.00 C ATOM 952 CG TYR A 65 13.300 -3.837 0.741 1.00 0.00 C ATOM 953 CD1 TYR A 65 13.252 -3.273 -0.528 1.00 0.00 C ATOM 954 CD2 TYR A 65 12.112 -3.949 1.453 1.00 0.00 C ATOM 955 CE1 TYR A 65 12.060 -2.833 -1.069 1.00 0.00 C ATOM 956 CE2 TYR A 65 10.915 -3.513 0.919 1.00 0.00 C ATOM 957 CZ TYR A 65 10.894 -2.955 -0.342 1.00 0.00 C ATOM 958 OH TYR A 65 9.704 -2.518 -0.878 1.00 0.00 O ATOM 0 H TYR A 65 14.990 -2.139 0.167 1.00 0.00 H new ATOM 0 HA TYR A 65 14.941 -2.756 2.768 1.00 0.00 H new ATOM 0 HB2 TYR A 65 15.177 -4.830 0.555 1.00 0.00 H new ATOM 0 HB3 TYR A 65 14.398 -5.049 2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 65 14.162 -3.177 -1.101 1.00 0.00 H new ATOM 0 HD2 TYR A 65 12.125 -4.385 2.441 1.00 0.00 H new ATOM 0 HE1 TYR A 65 12.041 -2.396 -2.056 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.001 -3.609 1.486 1.00 0.00 H new ATOM 0 HH TYR A 65 9.770 -1.563 -1.087 1.00 0.00 H new ATOM 968 N LYS A 66 17.160 -3.414 3.635 1.00 0.00 N ATOM 969 CA LYS A 66 18.409 -3.885 4.222 1.00 0.00 C ATOM 970 C LYS A 66 18.159 -5.058 5.164 1.00 0.00 C ATOM 971 O LYS A 66 17.143 -5.105 5.857 1.00 0.00 O ATOM 972 CB LYS A 66 19.101 -2.748 4.979 1.00 0.00 C ATOM 973 CG LYS A 66 20.430 -3.149 5.595 1.00 0.00 C ATOM 974 CD LYS A 66 21.564 -3.047 4.589 1.00 0.00 C ATOM 975 CE LYS A 66 21.924 -1.598 4.299 1.00 0.00 C ATOM 976 NZ LYS A 66 23.189 -1.485 3.522 1.00 0.00 N ATOM 0 H LYS A 66 16.608 -2.812 4.245 1.00 0.00 H new ATOM 0 HA LYS A 66 19.057 -4.223 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.263 -1.914 4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.438 -2.391 5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.643 -2.509 6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.365 -4.171 5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 66 22.440 -3.571 4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.276 -3.544 3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 66 21.113 -1.127 3.743 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.025 -1.054 5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 23.399 -0.482 3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 23.968 -1.912 4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 23.085 -1.982 2.615 1.00 0.00 H new ATOM 990 N SER A 67 19.093 -6.004 5.185 1.00 0.00 N ATOM 991 CA SER A 67 18.973 -7.179 6.040 1.00 0.00 C ATOM 992 C SER A 67 17.585 -7.800 5.917 1.00 0.00 C ATOM 993 O SER A 67 16.999 -8.236 6.907 1.00 0.00 O ATOM 994 CB SER A 67 19.250 -6.805 7.498 1.00 0.00 C ATOM 995 OG SER A 67 20.524 -6.201 7.636 1.00 0.00 O ATOM 0 H SER A 67 19.941 -5.979 4.619 1.00 0.00 H new ATOM 0 HA SER A 67 19.710 -7.913 5.714 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.479 -6.121 7.854 1.00 0.00 H new ATOM 0 HB3 SER A 67 19.198 -7.697 8.122 1.00 0.00 H new ATOM 0 HG SER A 67 20.676 -5.970 8.576 1.00 0.00 H new ATOM 1001 N ALA A 68 17.066 -7.836 4.694 1.00 0.00 N ATOM 1002 CA ALA A 68 15.749 -8.405 4.440 1.00 0.00 C ATOM 1003 C ALA A 68 15.806 -9.448 3.329 1.00 0.00 C ATOM 1004 O ALA A 68 15.352 -10.579 3.501 1.00 0.00 O ATOM 1005 CB ALA A 68 14.758 -7.306 4.084 1.00 0.00 C ATOM 0 H ALA A 68 17.538 -7.478 3.864 1.00 0.00 H new ATOM 0 HA ALA A 68 15.414 -8.900 5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.778 -7.746 3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 68 14.686 -6.599 4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.099 -6.785 3.189 1.00 0.00 H new ATOM 1011 N GLY A 69 16.366 -9.060 2.187 1.00 0.00 N ATOM 1012 CA GLY A 69 16.472 -9.973 1.064 1.00 0.00 C ATOM 1013 C GLY A 69 16.688 -9.252 -0.251 1.00 0.00 C ATOM 1014 O GLY A 69 15.763 -9.117 -1.052 1.00 0.00 O ATOM 0 H GLY A 69 16.748 -8.129 2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 69 17.299 -10.662 1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.564 -10.573 1.001 1.00 0.00 H new ATOM 1018 N ARG A 70 17.913 -8.786 -0.474 1.00 0.00 N ATOM 1019 CA ARG A 70 18.247 -8.072 -1.700 1.00 0.00 C ATOM 1020 C ARG A 70 19.602 -8.521 -2.239 1.00 0.00 C ATOM 1021 O ARG A 70 20.440 -9.029 -1.494 1.00 0.00 O ATOM 1022 CB ARG A 70 18.261 -6.563 -1.450 1.00 0.00 C ATOM 1023 CG ARG A 70 19.426 -6.099 -0.591 1.00 0.00 C ATOM 1024 CD ARG A 70 20.637 -5.745 -1.441 1.00 0.00 C ATOM 1025 NE ARG A 70 21.715 -5.168 -0.643 1.00 0.00 N ATOM 1026 CZ ARG A 70 22.594 -5.893 0.039 1.00 0.00 C ATOM 1027 NH1 ARG A 70 22.523 -7.217 0.020 1.00 0.00 N ATOM 1028 NH2 ARG A 70 23.548 -5.295 0.742 1.00 0.00 N ATOM 0 H ARG A 70 18.690 -8.890 0.178 1.00 0.00 H new ATOM 0 HA ARG A 70 17.484 -8.303 -2.444 1.00 0.00 H new ATOM 0 HB2 ARG A 70 18.298 -6.045 -2.408 1.00 0.00 H new ATOM 0 HB3 ARG A 70 17.327 -6.274 -0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 70 19.125 -5.231 -0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 70 19.693 -6.884 0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 70 20.999 -6.640 -1.947 1.00 0.00 H new ATOM 0 HD3 ARG A 70 20.342 -5.038 -2.217 1.00 0.00 H new ATOM 0 HE ARG A 70 21.797 -4.152 -0.607 1.00 0.00 H new ATOM 0 HH11 ARG A 70 21.792 -7.681 -0.519 1.00 0.00 H new ATOM 0 HH12 ARG A 70 23.199 -7.772 0.545 1.00 0.00 H new ATOM 0 HH21 ARG A 70 23.607 -4.277 0.759 1.00 0.00 H new ATOM 0 HH22 ARG A 70 24.222 -5.854 1.265 1.00 0.00 H new ATOM 1042 N ARG A 71 19.809 -8.330 -3.538 1.00 0.00 N ATOM 1043 CA ARG A 71 21.061 -8.717 -4.177 1.00 0.00 C ATOM 1044 C ARG A 71 21.826 -7.489 -4.662 1.00 0.00 C ATOM 1045 O ARG A 71 22.945 -7.227 -4.219 1.00 0.00 O ATOM 1046 CB ARG A 71 20.790 -9.659 -5.351 1.00 0.00 C ATOM 1047 CG ARG A 71 21.939 -10.607 -5.651 1.00 0.00 C ATOM 1048 CD ARG A 71 21.735 -11.331 -6.972 1.00 0.00 C ATOM 1049 NE ARG A 71 22.979 -11.900 -7.483 1.00 0.00 N ATOM 1050 CZ ARG A 71 23.593 -12.940 -6.929 1.00 0.00 C ATOM 1051 NH1 ARG A 71 23.080 -13.521 -5.853 1.00 0.00 N ATOM 1052 NH2 ARG A 71 24.722 -13.401 -7.452 1.00 0.00 N ATOM 0 H ARG A 71 19.126 -7.910 -4.168 1.00 0.00 H new ATOM 0 HA ARG A 71 21.672 -9.236 -3.438 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.895 -10.243 -5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 71 20.579 -9.065 -6.240 1.00 0.00 H new ATOM 0 HG2 ARG A 71 22.874 -10.048 -5.682 1.00 0.00 H new ATOM 0 HG3 ARG A 71 22.030 -11.336 -4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.000 -12.125 -6.840 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.326 -10.637 -7.706 1.00 0.00 H new ATOM 0 HE ARG A 71 23.399 -11.476 -8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 71 22.212 -13.170 -5.449 1.00 0.00 H new ATOM 0 HH12 ARG A 71 23.553 -14.319 -5.430 1.00 0.00 H new ATOM 0 HH21 ARG A 71 25.119 -12.957 -8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.193 -14.199 -7.026 1.00 0.00 H new ATOM 1066 N TYR A 72 21.217 -6.741 -5.574 1.00 0.00 N ATOM 1067 CA TYR A 72 21.841 -5.543 -6.122 1.00 0.00 C ATOM 1068 C TYR A 72 22.584 -4.771 -5.036 1.00 0.00 C ATOM 1069 O TYR A 72 22.122 -4.677 -3.898 1.00 0.00 O ATOM 1070 CB TYR A 72 20.787 -4.645 -6.772 1.00 0.00 C ATOM 1071 CG TYR A 72 21.364 -3.405 -7.418 1.00 0.00 C ATOM 1072 CD1 TYR A 72 22.000 -3.473 -8.652 1.00 0.00 C ATOM 1073 CD2 TYR A 72 21.273 -2.167 -6.795 1.00 0.00 C ATOM 1074 CE1 TYR A 72 22.528 -2.343 -9.245 1.00 0.00 C ATOM 1075 CE2 TYR A 72 21.797 -1.031 -7.382 1.00 0.00 C ATOM 1076 CZ TYR A 72 22.424 -1.125 -8.607 1.00 0.00 C ATOM 1077 OH TYR A 72 22.949 0.004 -9.194 1.00 0.00 O ATOM 0 H TYR A 72 20.291 -6.943 -5.950 1.00 0.00 H new ATOM 0 HA TYR A 72 22.561 -5.853 -6.879 1.00 0.00 H new ATOM 0 HB2 TYR A 72 20.247 -5.219 -7.525 1.00 0.00 H new ATOM 0 HB3 TYR A 72 20.060 -4.346 -6.017 1.00 0.00 H new ATOM 0 HD1 TYR A 72 22.083 -4.425 -9.155 1.00 0.00 H new ATOM 0 HD2 TYR A 72 20.784 -2.091 -5.835 1.00 0.00 H new ATOM 0 HE1 TYR A 72 23.020 -2.413 -10.204 1.00 0.00 H new ATOM 0 HE2 TYR A 72 21.716 -0.076 -6.885 1.00 0.00 H new ATOM 0 HH TYR A 72 22.790 0.778 -8.615 1.00 0.00 H new ATOM 1087 N LEU A 73 23.737 -4.219 -5.396 1.00 0.00 N ATOM 1088 CA LEU A 73 24.546 -3.453 -4.453 1.00 0.00 C ATOM 1089 C LEU A 73 24.325 -1.955 -4.638 1.00 0.00 C ATOM 1090 O LEU A 73 24.339 -1.450 -5.760 1.00 0.00 O ATOM 1091 CB LEU A 73 26.028 -3.788 -4.633 1.00 0.00 C ATOM 1092 CG LEU A 73 26.467 -5.171 -4.151 1.00 0.00 C ATOM 1093 CD1 LEU A 73 27.879 -5.479 -4.625 1.00 0.00 C ATOM 1094 CD2 LEU A 73 26.381 -5.259 -2.634 1.00 0.00 C ATOM 0 H LEU A 73 24.133 -4.287 -6.333 1.00 0.00 H new ATOM 0 HA LEU A 73 24.239 -3.725 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 73 26.274 -3.699 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 73 26.616 -3.038 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 73 25.793 -5.914 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 73 28.174 -6.467 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 73 27.910 -5.459 -5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 73 28.567 -4.732 -4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 73 26.697 -6.250 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 73 27.031 -4.506 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 73 25.353 -5.084 -2.317 1.00 0.00 H new ATOM 1106 N GLU A 74 24.124 -1.251 -3.529 1.00 0.00 N ATOM 1107 CA GLU A 74 23.902 0.190 -3.569 1.00 0.00 C ATOM 1108 C GLU A 74 24.858 0.914 -2.626 1.00 0.00 C ATOM 1109 O GLU A 74 25.051 0.501 -1.483 1.00 0.00 O ATOM 1110 CB GLU A 74 22.455 0.516 -3.195 1.00 0.00 C ATOM 1111 CG GLU A 74 22.189 2.003 -3.029 1.00 0.00 C ATOM 1112 CD GLU A 74 22.188 2.746 -4.351 1.00 0.00 C ATOM 1113 OE1 GLU A 74 23.050 2.442 -5.202 1.00 0.00 O ATOM 1114 OE2 GLU A 74 21.327 3.631 -4.534 1.00 0.00 O ATOM 0 H GLU A 74 24.110 -1.654 -2.592 1.00 0.00 H new ATOM 0 HA GLU A 74 24.093 0.533 -4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.792 0.121 -3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 74 22.205 0.005 -2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 74 21.227 2.144 -2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 74 22.947 2.433 -2.375 1.00 0.00 H new ATOM 1121 N GLU A 75 25.454 1.997 -3.115 1.00 0.00 N ATOM 1122 CA GLU A 75 26.392 2.779 -2.316 1.00 0.00 C ATOM 1123 C GLU A 75 25.685 3.949 -1.639 1.00 0.00 C ATOM 1124 O GLU A 75 25.557 5.029 -2.216 1.00 0.00 O ATOM 1125 CB GLU A 75 27.534 3.296 -3.192 1.00 0.00 C ATOM 1126 CG GLU A 75 28.683 3.899 -2.401 1.00 0.00 C ATOM 1127 CD GLU A 75 29.904 4.170 -3.258 1.00 0.00 C ATOM 1128 OE1 GLU A 75 30.709 3.236 -3.455 1.00 0.00 O ATOM 1129 OE2 GLU A 75 30.053 5.315 -3.732 1.00 0.00 O ATOM 0 H GLU A 75 25.305 2.353 -4.059 1.00 0.00 H new ATOM 0 HA GLU A 75 26.803 2.129 -1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 75 27.914 2.475 -3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 75 27.143 4.047 -3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 75 28.353 4.830 -1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 75 28.956 3.223 -1.591 1.00 0.00 H new ATOM 1136 N ALA A 76 25.228 3.726 -0.411 1.00 0.00 N ATOM 1137 CA ALA A 76 24.536 4.762 0.346 1.00 0.00 C ATOM 1138 C ALA A 76 24.655 4.517 1.847 1.00 0.00 C ATOM 1139 O ALA A 76 24.453 3.400 2.321 1.00 0.00 O ATOM 1140 CB ALA A 76 23.073 4.827 -0.065 1.00 0.00 C ATOM 0 H ALA A 76 25.325 2.837 0.081 1.00 0.00 H new ATOM 0 HA ALA A 76 25.008 5.718 0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 76 22.568 5.605 0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 76 23.004 5.057 -1.128 1.00 0.00 H new ATOM 0 HB3 ALA A 76 22.597 3.866 0.130 1.00 0.00 H new ATOM 1146 N ASN A 77 24.986 5.569 2.589 1.00 0.00 N ATOM 1147 CA ASN A 77 25.133 5.468 4.036 1.00 0.00 C ATOM 1148 C ASN A 77 23.901 4.826 4.665 1.00 0.00 C ATOM 1149 O ASN A 77 22.783 5.330 4.554 1.00 0.00 O ATOM 1150 CB ASN A 77 25.368 6.852 4.644 1.00 0.00 C ATOM 1151 CG ASN A 77 26.834 7.240 4.652 1.00 0.00 C ATOM 1152 OD1 ASN A 77 27.527 7.071 5.655 1.00 0.00 O ATOM 1153 ND2 ASN A 77 27.313 7.763 3.529 1.00 0.00 N ATOM 0 H ASN A 77 25.157 6.501 2.212 1.00 0.00 H new ATOM 0 HA ASN A 77 25.996 4.836 4.245 1.00 0.00 H new ATOM 0 HB2 ASN A 77 24.802 7.594 4.081 1.00 0.00 H new ATOM 0 HB3 ASN A 77 24.986 6.867 5.665 1.00 0.00 H new ATOM 0 HD21 ASN A 77 28.292 8.043 3.474 1.00 0.00 H new ATOM 0 HD22 ASN A 77 26.702 7.885 2.722 1.00 0.00 H new ATOM 1160 N PRO A 78 24.107 3.686 5.342 1.00 0.00 N ATOM 1161 CA PRO A 78 23.025 2.951 6.003 1.00 0.00 C ATOM 1162 C PRO A 78 22.481 3.691 7.221 1.00 0.00 C ATOM 1163 O PRO A 78 22.941 4.784 7.552 1.00 0.00 O ATOM 1164 CB PRO A 78 23.693 1.641 6.428 1.00 0.00 C ATOM 1165 CG PRO A 78 25.139 1.978 6.555 1.00 0.00 C ATOM 1166 CD PRO A 78 25.413 3.028 5.515 1.00 0.00 C ATOM 0 HA PRO A 78 22.166 2.814 5.346 1.00 0.00 H new ATOM 0 HB2 PRO A 78 23.287 1.277 7.372 1.00 0.00 H new ATOM 0 HB3 PRO A 78 23.533 0.856 5.688 1.00 0.00 H new ATOM 0 HG2 PRO A 78 25.367 2.350 7.554 1.00 0.00 H new ATOM 0 HG3 PRO A 78 25.760 1.097 6.393 1.00 0.00 H new ATOM 0 HD2 PRO A 78 26.177 3.732 5.846 1.00 0.00 H new ATOM 0 HD3 PRO A 78 25.768 2.588 4.583 1.00 0.00 H new ATOM 1174 N VAL A 79 21.499 3.088 7.884 1.00 0.00 N ATOM 1175 CA VAL A 79 20.894 3.689 9.066 1.00 0.00 C ATOM 1176 C VAL A 79 21.028 2.774 10.278 1.00 0.00 C ATOM 1177 O VAL A 79 21.323 1.587 10.143 1.00 0.00 O ATOM 1178 CB VAL A 79 19.403 4.002 8.836 1.00 0.00 C ATOM 1179 CG1 VAL A 79 19.235 4.991 7.693 1.00 0.00 C ATOM 1180 CG2 VAL A 79 18.627 2.722 8.563 1.00 0.00 C ATOM 0 H VAL A 79 21.106 2.184 7.622 1.00 0.00 H new ATOM 0 HA VAL A 79 21.428 4.620 9.256 1.00 0.00 H new ATOM 0 HB VAL A 79 19.001 4.458 9.741 1.00 0.00 H new ATOM 0 HG11 VAL A 79 18.175 5.200 7.545 1.00 0.00 H new ATOM 0 HG12 VAL A 79 19.757 5.917 7.933 1.00 0.00 H new ATOM 0 HG13 VAL A 79 19.652 4.566 6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 79 17.576 2.961 8.403 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.028 2.236 7.674 1.00 0.00 H new ATOM 0 HG23 VAL A 79 18.720 2.051 9.417 1.00 0.00 H new ATOM 1190 N SER A 80 20.810 3.335 11.463 1.00 0.00 N ATOM 1191 CA SER A 80 20.910 2.570 12.701 1.00 0.00 C ATOM 1192 C SER A 80 19.721 1.626 12.854 1.00 0.00 C ATOM 1193 O SER A 80 18.628 2.044 13.235 1.00 0.00 O ATOM 1194 CB SER A 80 20.986 3.513 13.903 1.00 0.00 C ATOM 1195 OG SER A 80 20.898 2.794 15.121 1.00 0.00 O ATOM 0 H SER A 80 20.563 4.316 11.592 1.00 0.00 H new ATOM 0 HA SER A 80 21.821 1.974 12.658 1.00 0.00 H new ATOM 0 HB2 SER A 80 21.922 4.071 13.873 1.00 0.00 H new ATOM 0 HB3 SER A 80 20.178 4.243 13.849 1.00 0.00 H new ATOM 0 HG SER A 80 20.951 3.419 15.874 1.00 0.00 H new ATOM 1201 N GLY A 81 19.944 0.350 12.554 1.00 0.00 N ATOM 1202 CA GLY A 81 18.882 -0.634 12.664 1.00 0.00 C ATOM 1203 C GLY A 81 19.186 -1.700 13.698 1.00 0.00 C ATOM 1204 O GLY A 81 20.284 -1.764 14.251 1.00 0.00 O ATOM 0 H GLY A 81 20.840 -0.020 12.237 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.951 -0.132 12.927 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.726 -1.106 11.694 1.00 0.00 H new ATOM 1208 N PRO A 82 18.195 -2.562 13.973 1.00 0.00 N ATOM 1209 CA PRO A 82 18.337 -3.646 14.949 1.00 0.00 C ATOM 1210 C PRO A 82 19.286 -4.738 14.469 1.00 0.00 C ATOM 1211 O PRO A 82 19.735 -4.724 13.323 1.00 0.00 O ATOM 1212 CB PRO A 82 16.914 -4.194 15.081 1.00 0.00 C ATOM 1213 CG PRO A 82 16.255 -3.849 13.790 1.00 0.00 C ATOM 1214 CD PRO A 82 16.861 -2.545 13.351 1.00 0.00 C ATOM 0 HA PRO A 82 18.762 -3.294 15.889 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.918 -5.271 15.248 1.00 0.00 H new ATOM 0 HB3 PRO A 82 16.392 -3.743 15.925 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.423 -4.628 13.046 1.00 0.00 H new ATOM 0 HG3 PRO A 82 15.176 -3.755 13.915 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.925 -2.477 12.265 1.00 0.00 H new ATOM 0 HD3 PRO A 82 16.271 -1.693 13.689 1.00 0.00 H new ATOM 1222 N SER A 83 19.589 -5.684 15.353 1.00 0.00 N ATOM 1223 CA SER A 83 20.488 -6.783 15.019 1.00 0.00 C ATOM 1224 C SER A 83 20.273 -7.965 15.959 1.00 0.00 C ATOM 1225 O SER A 83 19.568 -7.854 16.962 1.00 0.00 O ATOM 1226 CB SER A 83 21.943 -6.318 15.091 1.00 0.00 C ATOM 1227 OG SER A 83 22.789 -7.174 14.343 1.00 0.00 O ATOM 0 H SER A 83 19.225 -5.711 16.306 1.00 0.00 H new ATOM 0 HA SER A 83 20.267 -7.105 14.002 1.00 0.00 H new ATOM 0 HB2 SER A 83 22.022 -5.300 14.710 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.270 -6.296 16.131 1.00 0.00 H new ATOM 0 HG SER A 83 23.714 -6.855 14.403 1.00 0.00 H new ATOM 1233 N SER A 84 20.885 -9.097 15.626 1.00 0.00 N ATOM 1234 CA SER A 84 20.759 -10.302 16.438 1.00 0.00 C ATOM 1235 C SER A 84 21.949 -11.231 16.219 1.00 0.00 C ATOM 1236 O SER A 84 22.449 -11.366 15.104 1.00 0.00 O ATOM 1237 CB SER A 84 19.458 -11.033 16.103 1.00 0.00 C ATOM 1238 OG SER A 84 19.179 -12.041 17.059 1.00 0.00 O ATOM 0 H SER A 84 21.473 -9.205 14.800 1.00 0.00 H new ATOM 0 HA SER A 84 20.741 -10.005 17.486 1.00 0.00 H new ATOM 0 HB2 SER A 84 18.634 -10.320 16.071 1.00 0.00 H new ATOM 0 HB3 SER A 84 19.533 -11.479 15.111 1.00 0.00 H new ATOM 0 HG SER A 84 18.342 -12.492 16.824 1.00 0.00 H new ATOM 1244 N GLY A 85 22.398 -11.870 17.295 1.00 0.00 N ATOM 1245 CA GLY A 85 23.526 -12.779 17.202 1.00 0.00 C ATOM 1246 C GLY A 85 23.176 -14.185 17.647 1.00 0.00 C ATOM 1247 O GLY A 85 22.048 -14.413 18.081 1.00 0.00 O ATOM 0 H GLY A 85 22.001 -11.774 18.230 1.00 0.00 H new ATOM 0 HA2 GLY A 85 23.883 -12.805 16.173 1.00 0.00 H new ATOM 0 HA3 GLY A 85 24.345 -12.401 17.814 1.00 0.00 H new TER 1251 GLY A 85 HETATM 1252 ZN ZN A 201 0.140 0.576 -11.536 1.00 0.00 ZN HETATM 1253 ZN ZN A 401 8.281 0.983 -2.873 1.00 0.00 ZN