USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=23 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 -120:sc= -1.38 USER MOD Set 1.2: A 48 ASN : amide:sc= -0.48 K(o=-1.9,f=-5.4!) USER MOD Set 2.1: A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.00188 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.078 USER MOD Single : A 5 SER OG : rot 5:sc= 1.19 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc=-0.00293 X(o=-0.0029,f=-0.4) USER MOD Single : A 10 HIS : no HD1:sc= -0.55 K(o=-0.55,f=-1.7) USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00968) USER MOD Single : A 19 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.3) USER MOD Single : A 20 THR OG1 : rot 36:sc= 0.278 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0731) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -171:sc= 0 (180deg=-0.103) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= 0.564 K(o=0.56,f=-1.9!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -11:sc= 0.498 USER MOD Single : A 47 ASN : amide:sc=-0.00192 K(o=-0.0019,f=-0.93) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -2.02! C(o=-2!,f=-3.4!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 120:sc= -0.309 USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0657) 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= -1.53 K(o=-1.5,f=-3.3!) USER MOD Single : A 80 SER OG : rot 27:sc= 0.721 USER MOD Single : A 83 SER OG : rot 20:sc= 0.00355 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -74.023 47.899 -1.837 1.00 0.00 N ATOM 2 CA GLY A 1 -73.543 47.550 -3.161 1.00 0.00 C ATOM 3 C GLY A 1 -72.052 47.776 -3.315 1.00 0.00 C ATOM 4 O GLY A 1 -71.519 48.786 -2.856 1.00 0.00 O ATOM 0 H1 GLY A 1 -74.967 48.330 -1.912 1.00 0.00 H new ATOM 0 H2 GLY A 1 -74.080 47.042 -1.251 1.00 0.00 H new ATOM 0 H3 GLY A 1 -73.367 48.576 -1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -73.772 46.504 -3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -74.076 48.142 -3.905 1.00 0.00 H new ATOM 8 N SER A 2 -71.376 46.832 -3.963 1.00 0.00 N ATOM 9 CA SER A 2 -69.936 46.930 -4.171 1.00 0.00 C ATOM 10 C SER A 2 -69.438 45.799 -5.066 1.00 0.00 C ATOM 11 O SER A 2 -70.170 44.851 -5.352 1.00 0.00 O ATOM 12 CB SER A 2 -69.201 46.895 -2.830 1.00 0.00 C ATOM 13 OG SER A 2 -69.288 45.613 -2.234 1.00 0.00 O ATOM 0 H SER A 2 -71.802 45.991 -4.353 1.00 0.00 H new ATOM 0 HA SER A 2 -69.730 47.879 -4.665 1.00 0.00 H new ATOM 0 HB2 SER A 2 -68.154 47.160 -2.979 1.00 0.00 H new ATOM 0 HB3 SER A 2 -69.627 47.641 -2.159 1.00 0.00 H new ATOM 0 HG SER A 2 -68.809 45.617 -1.379 1.00 0.00 H new ATOM 19 N SER A 3 -68.188 45.906 -5.505 1.00 0.00 N ATOM 20 CA SER A 3 -67.592 44.894 -6.370 1.00 0.00 C ATOM 21 C SER A 3 -66.086 44.807 -6.146 1.00 0.00 C ATOM 22 O SER A 3 -65.496 45.655 -5.478 1.00 0.00 O ATOM 23 CB SER A 3 -67.883 45.213 -7.838 1.00 0.00 C ATOM 24 OG SER A 3 -67.516 44.132 -8.677 1.00 0.00 O ATOM 0 H SER A 3 -67.568 46.683 -5.276 1.00 0.00 H new ATOM 0 HA SER A 3 -68.035 43.930 -6.120 1.00 0.00 H new ATOM 0 HB2 SER A 3 -68.944 45.430 -7.963 1.00 0.00 H new ATOM 0 HB3 SER A 3 -67.337 46.109 -8.134 1.00 0.00 H new ATOM 0 HG SER A 3 -67.713 44.360 -9.609 1.00 0.00 H new ATOM 30 N GLY A 4 -65.469 43.773 -6.710 1.00 0.00 N ATOM 31 CA GLY A 4 -64.037 43.592 -6.561 1.00 0.00 C ATOM 32 C GLY A 4 -63.616 42.144 -6.714 1.00 0.00 C ATOM 33 O GLY A 4 -64.386 41.232 -6.411 1.00 0.00 O ATOM 0 H GLY A 4 -65.936 43.057 -7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -63.518 44.198 -7.304 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -63.728 43.955 -5.581 1.00 0.00 H new ATOM 37 N SER A 5 -62.392 41.931 -7.186 1.00 0.00 N ATOM 38 CA SER A 5 -61.873 40.583 -7.384 1.00 0.00 C ATOM 39 C SER A 5 -60.355 40.603 -7.543 1.00 0.00 C ATOM 40 O SER A 5 -59.809 41.416 -8.288 1.00 0.00 O ATOM 41 CB SER A 5 -62.517 39.940 -8.614 1.00 0.00 C ATOM 42 OG SER A 5 -63.844 39.528 -8.337 1.00 0.00 O ATOM 0 H SER A 5 -61.741 42.675 -7.438 1.00 0.00 H new ATOM 0 HA SER A 5 -62.121 39.992 -6.502 1.00 0.00 H new ATOM 0 HB2 SER A 5 -62.518 40.650 -9.441 1.00 0.00 H new ATOM 0 HB3 SER A 5 -61.925 39.082 -8.932 1.00 0.00 H new ATOM 0 HG SER A 5 -64.095 39.818 -7.435 1.00 0.00 H new ATOM 48 N SER A 6 -59.680 39.702 -6.836 1.00 0.00 N ATOM 49 CA SER A 6 -58.226 39.618 -6.895 1.00 0.00 C ATOM 50 C SER A 6 -57.723 38.383 -6.154 1.00 0.00 C ATOM 51 O SER A 6 -58.420 37.827 -5.306 1.00 0.00 O ATOM 52 CB SER A 6 -57.597 40.877 -6.295 1.00 0.00 C ATOM 53 OG SER A 6 -58.016 41.069 -4.955 1.00 0.00 O ATOM 0 H SER A 6 -60.117 39.020 -6.216 1.00 0.00 H new ATOM 0 HA SER A 6 -57.933 39.537 -7.942 1.00 0.00 H new ATOM 0 HB2 SER A 6 -56.511 40.797 -6.331 1.00 0.00 H new ATOM 0 HB3 SER A 6 -57.873 41.745 -6.893 1.00 0.00 H new ATOM 0 HG SER A 6 -57.598 41.879 -4.595 1.00 0.00 H new ATOM 59 N GLY A 7 -56.506 37.959 -6.481 1.00 0.00 N ATOM 60 CA GLY A 7 -55.929 36.792 -5.839 1.00 0.00 C ATOM 61 C GLY A 7 -54.540 36.473 -6.356 1.00 0.00 C ATOM 62 O GLY A 7 -54.390 35.836 -7.398 1.00 0.00 O ATOM 0 H GLY A 7 -55.909 38.403 -7.179 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -55.883 36.959 -4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -56.580 35.933 -6.001 1.00 0.00 H new ATOM 66 N ILE A 8 -53.523 36.918 -5.627 1.00 0.00 N ATOM 67 CA ILE A 8 -52.140 36.677 -6.018 1.00 0.00 C ATOM 68 C ILE A 8 -51.404 35.860 -4.961 1.00 0.00 C ATOM 69 O ILE A 8 -51.268 36.287 -3.814 1.00 0.00 O ATOM 70 CB ILE A 8 -51.381 37.997 -6.250 1.00 0.00 C ATOM 71 CG1 ILE A 8 -52.069 38.821 -7.341 1.00 0.00 C ATOM 72 CG2 ILE A 8 -49.933 37.718 -6.624 1.00 0.00 C ATOM 73 CD1 ILE A 8 -51.818 40.308 -7.224 1.00 0.00 C ATOM 0 H ILE A 8 -53.631 37.448 -4.762 1.00 0.00 H new ATOM 0 HA ILE A 8 -52.170 36.116 -6.952 1.00 0.00 H new ATOM 0 HB ILE A 8 -51.392 38.572 -5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -51.723 38.478 -8.316 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -53.143 38.638 -7.301 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -49.411 38.661 -6.785 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -49.449 37.167 -5.818 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -49.901 37.125 -7.538 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -52.336 40.829 -8.029 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -52.189 40.665 -6.263 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -50.748 40.503 -7.295 1.00 0.00 H new ATOM 85 N HIS A 9 -50.929 34.683 -5.356 1.00 0.00 N ATOM 86 CA HIS A 9 -50.204 33.806 -4.443 1.00 0.00 C ATOM 87 C HIS A 9 -49.302 32.846 -5.213 1.00 0.00 C ATOM 88 O HIS A 9 -49.729 32.222 -6.185 1.00 0.00 O ATOM 89 CB HIS A 9 -51.184 33.017 -3.574 1.00 0.00 C ATOM 90 CG HIS A 9 -50.608 31.749 -3.022 1.00 0.00 C ATOM 91 ND1 HIS A 9 -49.475 31.716 -2.237 1.00 0.00 N ATOM 92 CD2 HIS A 9 -51.017 30.465 -3.144 1.00 0.00 C ATOM 93 CE1 HIS A 9 -49.210 30.466 -1.902 1.00 0.00 C ATOM 94 NE2 HIS A 9 -50.131 29.687 -2.439 1.00 0.00 N ATOM 0 H HIS A 9 -51.033 34.315 -6.301 1.00 0.00 H new ATOM 0 HA HIS A 9 -49.580 34.427 -3.801 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -51.513 33.647 -2.748 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -52.069 32.778 -4.164 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -51.879 30.117 -3.693 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -48.381 30.137 -1.293 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -50.177 28.672 -2.346 1.00 0.00 H new ATOM 102 N HIS A 10 -48.053 32.734 -4.773 1.00 0.00 N ATOM 103 CA HIS A 10 -47.090 31.850 -5.421 1.00 0.00 C ATOM 104 C HIS A 10 -45.786 31.795 -4.632 1.00 0.00 C ATOM 105 O HIS A 10 -45.263 32.824 -4.203 1.00 0.00 O ATOM 106 CB HIS A 10 -46.815 32.321 -6.850 1.00 0.00 C ATOM 107 CG HIS A 10 -45.523 31.812 -7.410 1.00 0.00 C ATOM 108 ND1 HIS A 10 -45.135 30.491 -7.328 1.00 0.00 N ATOM 109 CD2 HIS A 10 -44.528 32.455 -8.064 1.00 0.00 C ATOM 110 CE1 HIS A 10 -43.957 30.344 -7.906 1.00 0.00 C ATOM 111 NE2 HIS A 10 -43.566 31.521 -8.362 1.00 0.00 N ATOM 0 H HIS A 10 -47.684 33.244 -3.971 1.00 0.00 H new ATOM 0 HA HIS A 10 -47.518 30.848 -5.452 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -47.633 31.998 -7.494 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -46.806 33.411 -6.869 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -44.496 33.507 -8.307 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -43.406 29.419 -7.992 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -42.692 31.706 -8.855 1.00 0.00 H new ATOM 119 N LEU A 11 -45.266 30.587 -4.443 1.00 0.00 N ATOM 120 CA LEU A 11 -44.022 30.397 -3.704 1.00 0.00 C ATOM 121 C LEU A 11 -42.952 29.768 -4.590 1.00 0.00 C ATOM 122 O LEU A 11 -43.105 28.655 -5.096 1.00 0.00 O ATOM 123 CB LEU A 11 -44.265 29.517 -2.476 1.00 0.00 C ATOM 124 CG LEU A 11 -43.018 29.070 -1.713 1.00 0.00 C ATOM 125 CD1 LEU A 11 -42.524 30.180 -0.799 1.00 0.00 C ATOM 126 CD2 LEU A 11 -43.305 27.807 -0.914 1.00 0.00 C ATOM 0 H LEU A 11 -45.686 29.725 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 11 -43.669 31.376 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -44.913 30.060 -1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -44.810 28.628 -2.793 1.00 0.00 H new ATOM 0 HG LEU A 11 -42.234 28.848 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -41.636 29.843 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -42.277 31.059 -1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -43.304 30.435 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -42.406 27.504 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -44.105 28.002 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -43.610 27.009 -1.591 1.00 0.00 H new ATOM 138 N PRO A 12 -41.841 30.494 -4.784 1.00 0.00 N ATOM 139 CA PRO A 12 -40.723 30.026 -5.607 1.00 0.00 C ATOM 140 C PRO A 12 -39.971 28.868 -4.960 1.00 0.00 C ATOM 141 O PRO A 12 -40.073 28.625 -3.757 1.00 0.00 O ATOM 142 CB PRO A 12 -39.820 31.257 -5.712 1.00 0.00 C ATOM 143 CG PRO A 12 -40.134 32.062 -4.499 1.00 0.00 C ATOM 144 CD PRO A 12 -41.591 31.828 -4.212 1.00 0.00 C ATOM 0 HA PRO A 12 -41.059 29.643 -6.571 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -38.768 30.975 -5.738 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -40.022 31.819 -6.624 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -39.516 31.754 -3.656 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -39.935 33.120 -4.671 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -41.799 31.852 -3.142 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -42.219 32.588 -4.676 1.00 0.00 H new ATOM 152 N PRO A 13 -39.197 28.135 -5.774 1.00 0.00 N ATOM 153 CA PRO A 13 -38.412 26.990 -5.302 1.00 0.00 C ATOM 154 C PRO A 13 -37.247 27.414 -4.414 1.00 0.00 C ATOM 155 O PRO A 13 -37.110 28.587 -4.069 1.00 0.00 O ATOM 156 CB PRO A 13 -37.896 26.356 -6.595 1.00 0.00 C ATOM 157 CG PRO A 13 -37.876 27.472 -7.583 1.00 0.00 C ATOM 158 CD PRO A 13 -39.028 28.367 -7.218 1.00 0.00 C ATOM 0 HA PRO A 13 -39.006 26.313 -4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -36.902 25.931 -6.458 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -38.546 25.546 -6.926 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -36.931 28.014 -7.540 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -37.981 27.095 -8.600 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -38.808 29.413 -7.434 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -39.929 28.109 -7.774 1.00 0.00 H new ATOM 166 N VAL A 14 -36.408 26.450 -4.047 1.00 0.00 N ATOM 167 CA VAL A 14 -35.253 26.723 -3.200 1.00 0.00 C ATOM 168 C VAL A 14 -34.142 25.708 -3.441 1.00 0.00 C ATOM 169 O VAL A 14 -34.390 24.504 -3.510 1.00 0.00 O ATOM 170 CB VAL A 14 -35.634 26.705 -1.708 1.00 0.00 C ATOM 171 CG1 VAL A 14 -36.282 25.380 -1.338 1.00 0.00 C ATOM 172 CG2 VAL A 14 -34.411 26.970 -0.843 1.00 0.00 C ATOM 0 H VAL A 14 -36.507 25.473 -4.323 1.00 0.00 H new ATOM 0 HA VAL A 14 -34.896 27.718 -3.464 1.00 0.00 H new ATOM 0 HB VAL A 14 -36.358 27.499 -1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -36.544 25.386 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -37.183 25.237 -1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -35.584 24.566 -1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -34.698 26.954 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -33.662 26.200 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -33.995 27.947 -1.090 1.00 0.00 H new ATOM 182 N LYS A 15 -32.915 26.201 -3.570 1.00 0.00 N ATOM 183 CA LYS A 15 -31.763 25.338 -3.802 1.00 0.00 C ATOM 184 C LYS A 15 -30.461 26.077 -3.511 1.00 0.00 C ATOM 185 O LYS A 15 -30.353 27.280 -3.748 1.00 0.00 O ATOM 186 CB LYS A 15 -31.762 24.831 -5.246 1.00 0.00 C ATOM 187 CG LYS A 15 -31.529 25.925 -6.274 1.00 0.00 C ATOM 188 CD LYS A 15 -31.568 25.377 -7.691 1.00 0.00 C ATOM 189 CE LYS A 15 -31.737 26.489 -8.715 1.00 0.00 C ATOM 190 NZ LYS A 15 -30.588 27.436 -8.699 1.00 0.00 N ATOM 0 H LYS A 15 -32.693 27.195 -3.518 1.00 0.00 H new ATOM 0 HA LYS A 15 -31.836 24.487 -3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -30.988 24.071 -5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -32.716 24.347 -5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -32.288 26.699 -6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -30.563 26.397 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -30.648 24.829 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -32.389 24.667 -7.785 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -31.836 26.055 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -32.659 27.033 -8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -30.716 28.150 -9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -30.539 27.907 -7.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -29.705 26.913 -8.868 1.00 0.00 H new ATOM 204 N ALA A 16 -29.475 25.350 -2.997 1.00 0.00 N ATOM 205 CA ALA A 16 -28.180 25.937 -2.677 1.00 0.00 C ATOM 206 C ALA A 16 -27.046 24.960 -2.973 1.00 0.00 C ATOM 207 O ALA A 16 -27.045 23.817 -2.516 1.00 0.00 O ATOM 208 CB ALA A 16 -28.141 26.367 -1.219 1.00 0.00 C ATOM 0 H ALA A 16 -29.548 24.353 -2.793 1.00 0.00 H new ATOM 0 HA ALA A 16 -28.042 26.816 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -27.168 26.804 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -28.921 27.106 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -28.306 25.500 -0.579 1.00 0.00 H new ATOM 214 N PRO A 17 -26.058 25.418 -3.756 1.00 0.00 N ATOM 215 CA PRO A 17 -24.901 24.600 -4.129 1.00 0.00 C ATOM 216 C PRO A 17 -23.974 24.333 -2.949 1.00 0.00 C ATOM 217 O PRO A 17 -22.887 23.776 -3.112 1.00 0.00 O ATOM 218 CB PRO A 17 -24.191 25.451 -5.185 1.00 0.00 C ATOM 219 CG PRO A 17 -24.593 26.851 -4.875 1.00 0.00 C ATOM 220 CD PRO A 17 -25.995 26.770 -4.336 1.00 0.00 C ATOM 0 HA PRO A 17 -25.198 23.613 -4.485 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -23.109 25.328 -5.131 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -24.494 25.166 -6.193 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -23.919 27.298 -4.144 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -24.554 27.475 -5.768 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -26.183 27.538 -3.586 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -26.737 26.905 -5.123 1.00 0.00 H new ATOM 228 N LEU A 18 -24.409 24.732 -1.759 1.00 0.00 N ATOM 229 CA LEU A 18 -23.618 24.535 -0.549 1.00 0.00 C ATOM 230 C LEU A 18 -23.696 23.086 -0.077 1.00 0.00 C ATOM 231 O LEU A 18 -24.579 22.724 0.699 1.00 0.00 O ATOM 232 CB LEU A 18 -24.103 25.471 0.559 1.00 0.00 C ATOM 233 CG LEU A 18 -23.615 26.918 0.478 1.00 0.00 C ATOM 234 CD1 LEU A 18 -24.245 27.627 -0.711 1.00 0.00 C ATOM 235 CD2 LEU A 18 -23.925 27.659 1.770 1.00 0.00 C ATOM 0 H LEU A 18 -25.305 25.194 -1.606 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.579 24.766 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -25.193 25.475 0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -23.792 25.057 1.518 1.00 0.00 H new ATOM 0 HG LEU A 18 -22.534 26.910 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -23.886 28.655 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -23.971 27.109 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -25.330 27.625 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -23.571 28.687 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -25.002 27.658 1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -23.425 27.164 2.602 1.00 0.00 H new ATOM 247 N GLN A 19 -22.765 22.265 -0.550 1.00 0.00 N ATOM 248 CA GLN A 19 -22.728 20.856 -0.175 1.00 0.00 C ATOM 249 C GLN A 19 -21.327 20.281 -0.357 1.00 0.00 C ATOM 250 O GLN A 19 -20.580 20.703 -1.241 1.00 0.00 O ATOM 251 CB GLN A 19 -23.732 20.058 -1.008 1.00 0.00 C ATOM 252 CG GLN A 19 -25.181 20.319 -0.629 1.00 0.00 C ATOM 253 CD GLN A 19 -25.465 20.021 0.830 1.00 0.00 C ATOM 254 OE1 GLN A 19 -24.883 19.106 1.413 1.00 0.00 O ATOM 255 NE2 GLN A 19 -26.364 20.794 1.428 1.00 0.00 N ATOM 0 H GLN A 19 -22.027 22.550 -1.193 1.00 0.00 H new ATOM 0 HA GLN A 19 -22.999 20.779 0.878 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -23.591 20.300 -2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -23.521 18.995 -0.895 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -25.425 21.361 -0.837 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -25.832 19.708 -1.254 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -26.822 21.541 0.906 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -26.596 20.641 2.409 1.00 0.00 H new ATOM 264 N THR A 20 -20.975 19.314 0.484 1.00 0.00 N ATOM 265 CA THR A 20 -19.664 18.681 0.417 1.00 0.00 C ATOM 266 C THR A 20 -19.786 17.196 0.098 1.00 0.00 C ATOM 267 O THR A 20 -20.463 16.451 0.806 1.00 0.00 O ATOM 268 CB THR A 20 -18.891 18.849 1.739 1.00 0.00 C ATOM 269 OG1 THR A 20 -19.631 18.265 2.817 1.00 0.00 O ATOM 270 CG2 THR A 20 -18.633 20.319 2.033 1.00 0.00 C ATOM 0 H THR A 20 -21.581 18.952 1.221 1.00 0.00 H new ATOM 0 HA THR A 20 -19.114 19.177 -0.383 1.00 0.00 H new ATOM 0 HB THR A 20 -17.932 18.341 1.640 1.00 0.00 H new ATOM 0 HG1 THR A 20 -20.095 17.463 2.498 1.00 0.00 H new ATOM 0 HG21 THR A 20 -18.086 20.412 2.971 1.00 0.00 H new ATOM 0 HG22 THR A 20 -18.044 20.754 1.225 1.00 0.00 H new ATOM 0 HG23 THR A 20 -19.584 20.846 2.114 1.00 0.00 H new ATOM 278 N LYS A 21 -19.124 16.770 -0.973 1.00 0.00 N ATOM 279 CA LYS A 21 -19.156 15.372 -1.386 1.00 0.00 C ATOM 280 C LYS A 21 -17.806 14.940 -1.950 1.00 0.00 C ATOM 281 O LYS A 21 -17.373 15.429 -2.994 1.00 0.00 O ATOM 282 CB LYS A 21 -20.252 15.152 -2.431 1.00 0.00 C ATOM 283 CG LYS A 21 -21.638 14.985 -1.834 1.00 0.00 C ATOM 284 CD LYS A 21 -22.574 14.265 -2.790 1.00 0.00 C ATOM 285 CE LYS A 21 -23.985 14.178 -2.229 1.00 0.00 C ATOM 286 NZ LYS A 21 -24.811 13.175 -2.956 1.00 0.00 N ATOM 0 H LYS A 21 -18.559 17.373 -1.571 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.374 14.765 -0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.261 15.998 -3.119 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -20.010 14.266 -3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -21.568 14.425 -0.901 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -22.050 15.964 -1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -22.593 14.789 -3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.196 13.261 -2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -23.940 13.914 -1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -24.462 15.156 -2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -25.765 13.146 -2.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -24.876 13.440 -3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.370 12.237 -2.874 1.00 0.00 H new ATOM 300 N LYS A 22 -17.146 14.020 -1.255 1.00 0.00 N ATOM 301 CA LYS A 22 -15.847 13.520 -1.688 1.00 0.00 C ATOM 302 C LYS A 22 -15.471 12.252 -0.928 1.00 0.00 C ATOM 303 O LYS A 22 -15.539 12.209 0.301 1.00 0.00 O ATOM 304 CB LYS A 22 -14.771 14.589 -1.481 1.00 0.00 C ATOM 305 CG LYS A 22 -14.819 15.243 -0.111 1.00 0.00 C ATOM 306 CD LYS A 22 -13.610 16.133 0.125 1.00 0.00 C ATOM 307 CE LYS A 22 -13.505 16.556 1.582 1.00 0.00 C ATOM 308 NZ LYS A 22 -13.055 15.435 2.454 1.00 0.00 N ATOM 0 H LYS A 22 -17.490 13.605 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.913 13.280 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.789 14.137 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.883 15.358 -2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.730 15.834 -0.021 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -14.861 14.473 0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.704 15.602 -0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.679 17.018 -0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.806 17.387 1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.474 16.917 1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.817 15.803 3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.818 14.733 2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.216 14.985 2.036 1.00 0.00 H new ATOM 322 N LYS A 23 -15.073 11.221 -1.665 1.00 0.00 N ATOM 323 CA LYS A 23 -14.683 9.953 -1.062 1.00 0.00 C ATOM 324 C LYS A 23 -13.244 9.597 -1.423 1.00 0.00 C ATOM 325 O LYS A 23 -12.787 9.873 -2.533 1.00 0.00 O ATOM 326 CB LYS A 23 -15.625 8.837 -1.518 1.00 0.00 C ATOM 327 CG LYS A 23 -17.065 9.039 -1.079 1.00 0.00 C ATOM 328 CD LYS A 23 -17.246 8.736 0.399 1.00 0.00 C ATOM 329 CE LYS A 23 -18.400 9.529 0.994 1.00 0.00 C ATOM 330 NZ LYS A 23 -18.188 9.818 2.439 1.00 0.00 N ATOM 0 H LYS A 23 -15.012 11.239 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 23 -14.751 10.059 0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.592 8.767 -2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.265 7.886 -1.126 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.367 10.067 -1.280 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -17.719 8.394 -1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -17.429 7.670 0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.327 8.972 0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.515 10.466 0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -19.328 8.971 0.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.996 10.360 2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.103 8.924 2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.316 10.373 2.558 1.00 0.00 H new ATOM 344 N ILE A 24 -12.537 8.983 -0.481 1.00 0.00 N ATOM 345 CA ILE A 24 -11.152 8.588 -0.702 1.00 0.00 C ATOM 346 C ILE A 24 -11.040 7.599 -1.858 1.00 0.00 C ATOM 347 O ILE A 24 -11.609 6.509 -1.812 1.00 0.00 O ATOM 348 CB ILE A 24 -10.538 7.955 0.561 1.00 0.00 C ATOM 349 CG1 ILE A 24 -10.610 8.935 1.734 1.00 0.00 C ATOM 350 CG2 ILE A 24 -9.099 7.539 0.299 1.00 0.00 C ATOM 351 CD1 ILE A 24 -10.567 8.260 3.088 1.00 0.00 C ATOM 0 H ILE A 24 -12.901 8.748 0.443 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.601 9.496 -0.948 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.111 7.065 0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.781 9.638 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.529 9.516 1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.679 7.094 1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.073 6.811 -0.512 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.512 8.414 0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.622 9.015 3.873 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.412 7.577 3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -9.636 7.701 3.187 1.00 0.00 H new ATOM 363 N MET A 25 -10.301 7.987 -2.892 1.00 0.00 N ATOM 364 CA MET A 25 -10.112 7.134 -4.059 1.00 0.00 C ATOM 365 C MET A 25 -8.630 6.980 -4.385 1.00 0.00 C ATOM 366 O MET A 25 -8.073 7.748 -5.170 1.00 0.00 O ATOM 367 CB MET A 25 -10.855 7.710 -5.265 1.00 0.00 C ATOM 368 CG MET A 25 -12.365 7.738 -5.093 1.00 0.00 C ATOM 369 SD MET A 25 -13.042 6.127 -4.647 1.00 0.00 S ATOM 370 CE MET A 25 -12.768 5.213 -6.163 1.00 0.00 C ATOM 0 H MET A 25 -9.823 8.887 -2.945 1.00 0.00 H new ATOM 0 HA MET A 25 -10.519 6.150 -3.828 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.500 8.724 -5.450 1.00 0.00 H new ATOM 0 HB3 MET A 25 -10.609 7.120 -6.148 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.626 8.464 -4.323 1.00 0.00 H new ATOM 0 HG3 MET A 25 -12.826 8.078 -6.020 1.00 0.00 H new ATOM 0 HE1 MET A 25 -13.275 4.250 -6.104 1.00 0.00 H new ATOM 0 HE2 MET A 25 -13.163 5.780 -7.006 1.00 0.00 H new ATOM 0 HE3 MET A 25 -11.699 5.053 -6.303 1.00 0.00 H new ATOM 380 N LYS A 26 -7.995 5.983 -3.778 1.00 0.00 N ATOM 381 CA LYS A 26 -6.577 5.728 -4.004 1.00 0.00 C ATOM 382 C LYS A 26 -6.323 5.315 -5.451 1.00 0.00 C ATOM 383 O LYS A 26 -7.235 4.874 -6.151 1.00 0.00 O ATOM 384 CB LYS A 26 -6.077 4.635 -3.056 1.00 0.00 C ATOM 385 CG LYS A 26 -6.064 5.056 -1.597 1.00 0.00 C ATOM 386 CD LYS A 26 -5.031 4.276 -0.801 1.00 0.00 C ATOM 387 CE LYS A 26 -5.403 4.201 0.672 1.00 0.00 C ATOM 388 NZ LYS A 26 -4.390 3.447 1.462 1.00 0.00 N ATOM 0 H LYS A 26 -8.440 5.338 -3.125 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.031 6.650 -3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.709 3.754 -3.166 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.069 4.343 -3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.849 6.122 -1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.052 4.901 -1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.942 3.268 -1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.055 4.749 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.500 5.210 1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.376 3.721 0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.680 3.418 2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.315 2.477 1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.467 3.919 1.383 1.00 0.00 H new ATOM 402 N HIS A 27 -5.078 5.461 -5.893 1.00 0.00 N ATOM 403 CA HIS A 27 -4.704 5.101 -7.256 1.00 0.00 C ATOM 404 C HIS A 27 -3.191 4.939 -7.380 1.00 0.00 C ATOM 405 O HIS A 27 -2.425 5.732 -6.831 1.00 0.00 O ATOM 406 CB HIS A 27 -5.197 6.163 -8.240 1.00 0.00 C ATOM 407 CG HIS A 27 -4.963 7.567 -7.773 1.00 0.00 C ATOM 408 ND1 HIS A 27 -5.859 8.256 -6.983 1.00 0.00 N ATOM 409 CD2 HIS A 27 -3.926 8.410 -7.987 1.00 0.00 C ATOM 410 CE1 HIS A 27 -5.384 9.463 -6.734 1.00 0.00 C ATOM 411 NE2 HIS A 27 -4.212 9.582 -7.331 1.00 0.00 N ATOM 0 H HIS A 27 -4.311 5.826 -5.328 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.175 4.148 -7.496 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.697 6.019 -9.198 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.264 6.019 -8.413 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -6.749 7.891 -6.644 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.039 8.200 -8.566 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.871 10.224 -6.142 1.00 0.00 H new ATOM 419 N CYS A 28 -2.769 3.907 -8.102 1.00 0.00 N ATOM 420 CA CYS A 28 -1.349 3.640 -8.297 1.00 0.00 C ATOM 421 C CYS A 28 -0.579 4.936 -8.533 1.00 0.00 C ATOM 422 O CYS A 28 -1.123 5.907 -9.060 1.00 0.00 O ATOM 423 CB CYS A 28 -1.145 2.690 -9.478 1.00 0.00 C ATOM 424 SG CYS A 28 0.587 2.192 -9.742 1.00 0.00 S ATOM 0 H CYS A 28 -3.390 3.242 -8.562 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.965 3.170 -7.391 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.749 1.796 -9.320 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.516 3.169 -10.384 1.00 0.00 H new ATOM 429 N PHE A 29 0.691 4.943 -8.141 1.00 0.00 N ATOM 430 CA PHE A 29 1.536 6.119 -8.309 1.00 0.00 C ATOM 431 C PHE A 29 2.445 5.966 -9.525 1.00 0.00 C ATOM 432 O PHE A 29 2.902 6.954 -10.101 1.00 0.00 O ATOM 433 CB PHE A 29 2.380 6.351 -7.054 1.00 0.00 C ATOM 434 CG PHE A 29 3.276 7.553 -7.147 1.00 0.00 C ATOM 435 CD1 PHE A 29 2.780 8.824 -6.906 1.00 0.00 C ATOM 436 CD2 PHE A 29 4.615 7.411 -7.476 1.00 0.00 C ATOM 437 CE1 PHE A 29 3.602 9.931 -6.992 1.00 0.00 C ATOM 438 CE2 PHE A 29 5.442 8.515 -7.563 1.00 0.00 C ATOM 439 CZ PHE A 29 4.935 9.777 -7.319 1.00 0.00 C ATOM 0 H PHE A 29 1.157 4.147 -7.705 1.00 0.00 H new ATOM 0 HA PHE A 29 0.888 6.981 -8.467 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.717 6.468 -6.197 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.990 5.467 -6.868 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.739 8.951 -6.648 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.017 6.427 -7.666 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.202 10.916 -6.804 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.483 8.391 -7.821 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.580 10.641 -7.384 1.00 0.00 H new ATOM 449 N LEU A 30 2.703 4.721 -9.910 1.00 0.00 N ATOM 450 CA LEU A 30 3.558 4.437 -11.058 1.00 0.00 C ATOM 451 C LEU A 30 2.823 4.712 -12.366 1.00 0.00 C ATOM 452 O LEU A 30 3.201 5.602 -13.128 1.00 0.00 O ATOM 453 CB LEU A 30 4.029 2.982 -11.020 1.00 0.00 C ATOM 454 CG LEU A 30 5.106 2.599 -12.035 1.00 0.00 C ATOM 455 CD1 LEU A 30 6.421 3.288 -11.706 1.00 0.00 C ATOM 456 CD2 LEU A 30 5.289 1.089 -12.074 1.00 0.00 C ATOM 0 H LEU A 30 2.333 3.892 -9.445 1.00 0.00 H new ATOM 0 HA LEU A 30 4.426 5.095 -11.005 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.408 2.770 -10.020 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.164 2.337 -11.177 1.00 0.00 H new ATOM 0 HG LEU A 30 4.782 2.932 -13.021 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.175 3.003 -12.440 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.282 4.369 -11.730 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.751 2.987 -10.712 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.059 0.835 -12.802 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.589 0.733 -11.088 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.350 0.616 -12.360 1.00 0.00 H new ATOM 468 N CYS A 31 1.769 3.943 -12.619 1.00 0.00 N ATOM 469 CA CYS A 31 0.978 4.103 -13.833 1.00 0.00 C ATOM 470 C CYS A 31 -0.177 5.074 -13.606 1.00 0.00 C ATOM 471 O CYS A 31 -0.423 5.964 -14.418 1.00 0.00 O ATOM 472 CB CYS A 31 0.438 2.749 -14.297 1.00 0.00 C ATOM 473 SG CYS A 31 -0.785 2.010 -13.167 1.00 0.00 S ATOM 0 H CYS A 31 1.443 3.202 -11.998 1.00 0.00 H new ATOM 0 HA CYS A 31 1.626 4.513 -14.608 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.017 2.869 -15.280 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.273 2.058 -14.414 1.00 0.00 H new ATOM 478 N GLY A 32 -0.883 4.894 -12.493 1.00 0.00 N ATOM 479 CA GLY A 32 -2.004 5.761 -12.178 1.00 0.00 C ATOM 480 C GLY A 32 -3.341 5.076 -12.380 1.00 0.00 C ATOM 481 O GLY A 32 -4.338 5.725 -12.698 1.00 0.00 O ATOM 0 H GLY A 32 -0.699 4.164 -11.805 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.922 6.094 -11.143 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.957 6.652 -12.804 1.00 0.00 H new ATOM 485 N LYS A 33 -3.364 3.760 -12.196 1.00 0.00 N ATOM 486 CA LYS A 33 -4.588 2.985 -12.359 1.00 0.00 C ATOM 487 C LYS A 33 -5.409 2.988 -11.073 1.00 0.00 C ATOM 488 O LYS A 33 -4.858 2.969 -9.972 1.00 0.00 O ATOM 489 CB LYS A 33 -4.255 1.547 -12.761 1.00 0.00 C ATOM 490 CG LYS A 33 -5.443 0.603 -12.684 1.00 0.00 C ATOM 491 CD LYS A 33 -5.058 -0.812 -13.081 1.00 0.00 C ATOM 492 CE LYS A 33 -6.282 -1.702 -13.228 1.00 0.00 C ATOM 493 NZ LYS A 33 -6.904 -1.572 -14.574 1.00 0.00 N ATOM 0 H LYS A 33 -2.548 3.208 -11.934 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.180 3.449 -13.148 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.865 1.544 -13.779 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.461 1.172 -12.114 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.842 0.601 -11.670 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.237 0.962 -13.339 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.508 -0.790 -14.022 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.389 -1.232 -12.330 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.998 -2.741 -13.058 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.014 -1.442 -12.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.735 -2.194 -14.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.198 -0.586 -14.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.214 -1.844 -15.303 1.00 0.00 H new ATOM 507 N LYS A 34 -6.729 3.010 -11.220 1.00 0.00 N ATOM 508 CA LYS A 34 -7.628 3.012 -10.072 1.00 0.00 C ATOM 509 C LYS A 34 -7.450 1.746 -9.240 1.00 0.00 C ATOM 510 O LYS A 34 -7.386 0.640 -9.779 1.00 0.00 O ATOM 511 CB LYS A 34 -9.081 3.132 -10.535 1.00 0.00 C ATOM 512 CG LYS A 34 -9.462 2.126 -11.608 1.00 0.00 C ATOM 513 CD LYS A 34 -10.153 0.911 -11.013 1.00 0.00 C ATOM 514 CE LYS A 34 -10.820 0.067 -12.089 1.00 0.00 C ATOM 515 NZ LYS A 34 -9.847 -0.824 -12.778 1.00 0.00 N ATOM 0 H LYS A 34 -7.201 3.027 -12.124 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.381 3.872 -9.450 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.739 3.002 -9.676 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.250 4.139 -10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.121 2.600 -12.335 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.568 1.810 -12.146 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.425 0.305 -10.473 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.900 1.234 -10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.609 -0.536 -11.640 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.295 0.721 -12.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.341 -1.382 -13.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.107 -0.248 -13.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.412 -1.465 -12.084 1.00 0.00 H new ATOM 529 N THR A 35 -7.374 1.914 -7.923 1.00 0.00 N ATOM 530 CA THR A 35 -7.204 0.785 -7.018 1.00 0.00 C ATOM 531 C THR A 35 -8.317 0.744 -5.976 1.00 0.00 C ATOM 532 O THR A 35 -8.996 -0.270 -5.818 1.00 0.00 O ATOM 533 CB THR A 35 -5.844 0.841 -6.297 1.00 0.00 C ATOM 534 OG1 THR A 35 -5.799 1.976 -5.425 1.00 0.00 O ATOM 535 CG2 THR A 35 -4.703 0.921 -7.301 1.00 0.00 C ATOM 0 H THR A 35 -7.428 2.821 -7.460 1.00 0.00 H new ATOM 0 HA THR A 35 -7.246 -0.117 -7.628 1.00 0.00 H new ATOM 0 HB THR A 35 -5.729 -0.071 -5.712 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.062 2.565 -5.692 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.752 0.960 -6.769 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.723 0.042 -7.945 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.815 1.819 -7.909 1.00 0.00 H new ATOM 543 N GLY A 36 -8.499 1.854 -5.267 1.00 0.00 N ATOM 544 CA GLY A 36 -9.531 1.924 -4.250 1.00 0.00 C ATOM 545 C GLY A 36 -9.008 1.582 -2.869 1.00 0.00 C ATOM 546 O GLY A 36 -8.214 2.329 -2.295 1.00 0.00 O ATOM 0 H GLY A 36 -7.950 2.706 -5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.956 2.928 -4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.339 1.240 -4.509 1.00 0.00 H new ATOM 550 N LEU A 37 -9.454 0.452 -2.331 1.00 0.00 N ATOM 551 CA LEU A 37 -9.027 0.014 -1.007 1.00 0.00 C ATOM 552 C LEU A 37 -8.517 -1.423 -1.047 1.00 0.00 C ATOM 553 O LEU A 37 -7.400 -1.709 -0.617 1.00 0.00 O ATOM 554 CB LEU A 37 -10.183 0.130 -0.012 1.00 0.00 C ATOM 555 CG LEU A 37 -9.791 0.268 1.459 1.00 0.00 C ATOM 556 CD1 LEU A 37 -10.928 0.884 2.259 1.00 0.00 C ATOM 557 CD2 LEU A 37 -9.403 -1.085 2.037 1.00 0.00 C ATOM 0 H LEU A 37 -10.111 -0.177 -2.792 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.211 0.660 -0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.789 0.993 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.816 -0.751 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.928 0.930 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.631 0.974 3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.159 1.872 1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.810 0.248 2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.127 -0.967 3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.247 -1.770 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.556 -1.489 1.482 1.00 0.00 H new ATOM 569 N ALA A 38 -9.344 -2.324 -1.569 1.00 0.00 N ATOM 570 CA ALA A 38 -8.975 -3.731 -1.670 1.00 0.00 C ATOM 571 C ALA A 38 -7.762 -3.917 -2.574 1.00 0.00 C ATOM 572 O ALA A 38 -6.756 -4.502 -2.169 1.00 0.00 O ATOM 573 CB ALA A 38 -10.150 -4.548 -2.185 1.00 0.00 C ATOM 0 H ALA A 38 -10.273 -2.105 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.710 -4.084 -0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.861 -5.597 -2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.991 -4.449 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.442 -4.185 -3.171 1.00 0.00 H new ATOM 579 N THR A 39 -7.862 -3.417 -3.802 1.00 0.00 N ATOM 580 CA THR A 39 -6.773 -3.530 -4.764 1.00 0.00 C ATOM 581 C THR A 39 -5.570 -2.699 -4.334 1.00 0.00 C ATOM 582 O THR A 39 -4.424 -3.109 -4.515 1.00 0.00 O ATOM 583 CB THR A 39 -7.217 -3.082 -6.169 1.00 0.00 C ATOM 584 OG1 THR A 39 -8.395 -3.795 -6.562 1.00 0.00 O ATOM 585 CG2 THR A 39 -6.111 -3.319 -7.187 1.00 0.00 C ATOM 0 H THR A 39 -8.686 -2.930 -4.153 1.00 0.00 H new ATOM 0 HA THR A 39 -6.490 -4.582 -4.798 1.00 0.00 H new ATOM 0 HB THR A 39 -7.434 -2.014 -6.134 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.671 -3.503 -7.456 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.447 -2.995 -8.172 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.226 -2.751 -6.901 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.867 -4.381 -7.218 1.00 0.00 H new ATOM 593 N SER A 40 -5.839 -1.529 -3.763 1.00 0.00 N ATOM 594 CA SER A 40 -4.778 -0.638 -3.309 1.00 0.00 C ATOM 595 C SER A 40 -3.875 -1.339 -2.299 1.00 0.00 C ATOM 596 O SER A 40 -4.350 -1.924 -1.326 1.00 0.00 O ATOM 597 CB SER A 40 -5.375 0.626 -2.687 1.00 0.00 C ATOM 598 OG SER A 40 -6.059 0.326 -1.482 1.00 0.00 O ATOM 0 H SER A 40 -6.783 -1.176 -3.604 1.00 0.00 H new ATOM 0 HA SER A 40 -4.177 -0.359 -4.174 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.582 1.347 -2.489 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.062 1.093 -3.393 1.00 0.00 H new ATOM 0 HG SER A 40 -6.158 -0.645 -1.395 1.00 0.00 H new ATOM 604 N PHE A 41 -2.569 -1.274 -2.538 1.00 0.00 N ATOM 605 CA PHE A 41 -1.598 -1.903 -1.650 1.00 0.00 C ATOM 606 C PHE A 41 -0.598 -0.878 -1.123 1.00 0.00 C ATOM 607 O PHE A 41 -0.495 0.230 -1.650 1.00 0.00 O ATOM 608 CB PHE A 41 -0.857 -3.025 -2.382 1.00 0.00 C ATOM 609 CG PHE A 41 -1.752 -4.150 -2.817 1.00 0.00 C ATOM 610 CD1 PHE A 41 -2.249 -5.055 -1.892 1.00 0.00 C ATOM 611 CD2 PHE A 41 -2.097 -4.303 -4.150 1.00 0.00 C ATOM 612 CE1 PHE A 41 -3.073 -6.091 -2.289 1.00 0.00 C ATOM 613 CE2 PHE A 41 -2.921 -5.337 -4.552 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.409 -6.233 -3.621 1.00 0.00 C ATOM 0 H PHE A 41 -2.159 -0.793 -3.338 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.139 -2.326 -0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.358 -2.609 -3.257 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.079 -3.422 -1.730 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.989 -4.949 -0.849 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.718 -3.606 -4.883 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.454 -6.789 -1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.183 -5.444 -5.594 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.052 -7.043 -3.934 1.00 0.00 H new ATOM 624 N GLU A 42 0.135 -1.256 -0.081 1.00 0.00 N ATOM 625 CA GLU A 42 1.125 -0.368 0.518 1.00 0.00 C ATOM 626 C GLU A 42 2.526 -0.964 0.409 1.00 0.00 C ATOM 627 O GLU A 42 2.765 -2.098 0.824 1.00 0.00 O ATOM 628 CB GLU A 42 0.784 -0.104 1.986 1.00 0.00 C ATOM 629 CG GLU A 42 1.450 1.139 2.551 1.00 0.00 C ATOM 630 CD GLU A 42 0.840 1.581 3.867 1.00 0.00 C ATOM 631 OE1 GLU A 42 -0.139 2.356 3.837 1.00 0.00 O ATOM 632 OE2 GLU A 42 1.341 1.152 4.927 1.00 0.00 O ATOM 0 H GLU A 42 0.062 -2.170 0.366 1.00 0.00 H new ATOM 0 HA GLU A 42 1.106 0.576 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.297 -0.005 2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.082 -0.968 2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.513 0.944 2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.370 1.950 1.827 1.00 0.00 H new ATOM 639 N CYS A 43 3.448 -0.191 -0.154 1.00 0.00 N ATOM 640 CA CYS A 43 4.825 -0.640 -0.320 1.00 0.00 C ATOM 641 C CYS A 43 5.701 -0.144 0.826 1.00 0.00 C ATOM 642 O CYS A 43 5.340 0.796 1.535 1.00 0.00 O ATOM 643 CB CYS A 43 5.387 -0.147 -1.656 1.00 0.00 C ATOM 644 SG CYS A 43 7.096 -0.683 -1.986 1.00 0.00 S ATOM 0 H CYS A 43 3.266 0.750 -0.503 1.00 0.00 H new ATOM 0 HA CYS A 43 4.829 -1.730 -0.311 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.744 -0.502 -2.462 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.349 0.942 -1.674 1.00 0.00 H new ATOM 649 N ARG A 44 6.854 -0.781 1.002 1.00 0.00 N ATOM 650 CA ARG A 44 7.781 -0.406 2.062 1.00 0.00 C ATOM 651 C ARG A 44 8.029 1.100 2.060 1.00 0.00 C ATOM 652 O ARG A 44 8.211 1.712 3.113 1.00 0.00 O ATOM 653 CB ARG A 44 9.107 -1.151 1.898 1.00 0.00 C ATOM 654 CG ARG A 44 8.953 -2.663 1.844 1.00 0.00 C ATOM 655 CD ARG A 44 10.180 -3.368 2.400 1.00 0.00 C ATOM 656 NE ARG A 44 10.366 -4.690 1.809 1.00 0.00 N ATOM 657 CZ ARG A 44 9.667 -5.761 2.169 1.00 0.00 C ATOM 658 NH1 ARG A 44 8.741 -5.665 3.112 1.00 0.00 N ATOM 659 NH2 ARG A 44 9.894 -6.930 1.584 1.00 0.00 N ATOM 0 H ARG A 44 7.168 -1.560 0.423 1.00 0.00 H new ATOM 0 HA ARG A 44 7.332 -0.683 3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.595 -0.811 0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.765 -0.891 2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.072 -2.961 2.413 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.788 -2.976 0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 44 11.064 -2.759 2.212 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.084 -3.465 3.481 1.00 0.00 H new ATOM 0 HE ARG A 44 11.071 -4.797 1.080 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.564 -4.768 3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.206 -6.489 3.387 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.606 -7.007 0.857 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.357 -7.752 1.861 1.00 0.00 H new ATOM 673 N CYS A 45 8.035 1.692 0.870 1.00 0.00 N ATOM 674 CA CYS A 45 8.261 3.125 0.730 1.00 0.00 C ATOM 675 C CYS A 45 7.034 3.915 1.176 1.00 0.00 C ATOM 676 O CYS A 45 7.154 4.997 1.749 1.00 0.00 O ATOM 677 CB CYS A 45 8.602 3.469 -0.721 1.00 0.00 C ATOM 678 SG CYS A 45 7.294 3.040 -1.915 1.00 0.00 S ATOM 0 H CYS A 45 7.886 1.201 -0.011 1.00 0.00 H new ATOM 0 HA CYS A 45 9.100 3.399 1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.807 4.537 -0.791 1.00 0.00 H new ATOM 0 HB3 CYS A 45 9.519 2.950 -1.000 1.00 0.00 H new ATOM 683 N GLY A 46 5.853 3.366 0.908 1.00 0.00 N ATOM 684 CA GLY A 46 4.622 4.033 1.289 1.00 0.00 C ATOM 685 C GLY A 46 3.737 4.340 0.097 1.00 0.00 C ATOM 686 O GLY A 46 2.512 4.350 0.211 1.00 0.00 O ATOM 0 H GLY A 46 5.727 2.472 0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.075 3.405 1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.861 4.961 1.809 1.00 0.00 H new ATOM 690 N ASN A 47 4.359 4.594 -1.050 1.00 0.00 N ATOM 691 CA ASN A 47 3.619 4.906 -2.267 1.00 0.00 C ATOM 692 C ASN A 47 2.610 3.808 -2.588 1.00 0.00 C ATOM 693 O ASN A 47 2.890 2.623 -2.409 1.00 0.00 O ATOM 694 CB ASN A 47 4.583 5.087 -3.442 1.00 0.00 C ATOM 695 CG ASN A 47 5.468 6.308 -3.281 1.00 0.00 C ATOM 696 OD1 ASN A 47 5.090 7.281 -2.629 1.00 0.00 O ATOM 697 ND2 ASN A 47 6.655 6.260 -3.875 1.00 0.00 N ATOM 0 H ASN A 47 5.373 4.590 -1.162 1.00 0.00 H new ATOM 0 HA ASN A 47 3.076 5.837 -2.103 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.208 4.199 -3.536 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.012 5.175 -4.366 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.295 7.051 -3.801 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.927 5.432 -4.406 1.00 0.00 H new ATOM 704 N ASN A 48 1.436 4.210 -3.062 1.00 0.00 N ATOM 705 CA ASN A 48 0.384 3.260 -3.408 1.00 0.00 C ATOM 706 C ASN A 48 0.480 2.853 -4.875 1.00 0.00 C ATOM 707 O ASN A 48 0.519 3.703 -5.765 1.00 0.00 O ATOM 708 CB ASN A 48 -0.992 3.865 -3.123 1.00 0.00 C ATOM 709 CG ASN A 48 -2.103 2.836 -3.203 1.00 0.00 C ATOM 710 OD1 ASN A 48 -2.407 2.158 -2.221 1.00 0.00 O ATOM 711 ND2 ASN A 48 -2.715 2.716 -4.375 1.00 0.00 N ATOM 0 H ASN A 48 1.188 5.187 -3.216 1.00 0.00 H new ATOM 0 HA ASN A 48 0.516 2.370 -2.793 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.989 4.316 -2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.189 4.665 -3.837 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.471 2.041 -4.489 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.429 3.299 -5.162 1.00 0.00 H new ATOM 718 N PHE A 49 0.516 1.548 -5.120 1.00 0.00 N ATOM 719 CA PHE A 49 0.607 1.027 -6.479 1.00 0.00 C ATOM 720 C PHE A 49 -0.507 0.020 -6.752 1.00 0.00 C ATOM 721 O PHE A 49 -1.222 -0.394 -5.839 1.00 0.00 O ATOM 722 CB PHE A 49 1.970 0.370 -6.706 1.00 0.00 C ATOM 723 CG PHE A 49 3.127 1.307 -6.509 1.00 0.00 C ATOM 724 CD1 PHE A 49 3.337 2.363 -7.382 1.00 0.00 C ATOM 725 CD2 PHE A 49 4.006 1.132 -5.452 1.00 0.00 C ATOM 726 CE1 PHE A 49 4.401 3.227 -7.203 1.00 0.00 C ATOM 727 CE2 PHE A 49 5.071 1.993 -5.268 1.00 0.00 C ATOM 728 CZ PHE A 49 5.269 3.042 -6.146 1.00 0.00 C ATOM 0 H PHE A 49 0.484 0.831 -4.395 1.00 0.00 H new ATOM 0 HA PHE A 49 0.494 1.863 -7.170 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.076 -0.474 -6.024 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.007 -0.032 -7.719 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.662 2.512 -8.211 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.857 0.313 -4.764 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.553 4.046 -7.890 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.748 1.846 -4.439 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.101 3.716 -6.005 1.00 0.00 H new ATOM 738 N CYS A 50 -0.649 -0.368 -8.014 1.00 0.00 N ATOM 739 CA CYS A 50 -1.676 -1.325 -8.410 1.00 0.00 C ATOM 740 C CYS A 50 -1.203 -2.757 -8.177 1.00 0.00 C ATOM 741 O CYS A 50 -0.006 -3.013 -8.049 1.00 0.00 O ATOM 742 CB CYS A 50 -2.044 -1.130 -9.882 1.00 0.00 C ATOM 743 SG CYS A 50 -0.643 -1.320 -11.030 1.00 0.00 S ATOM 0 H CYS A 50 -0.066 -0.034 -8.781 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.559 -1.148 -7.796 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.819 -1.848 -10.150 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.472 -0.136 -10.010 1.00 0.00 H new ATOM 748 N ALA A 51 -2.152 -3.686 -8.125 1.00 0.00 N ATOM 749 CA ALA A 51 -1.833 -5.092 -7.910 1.00 0.00 C ATOM 750 C ALA A 51 -0.728 -5.554 -8.854 1.00 0.00 C ATOM 751 O ALA A 51 -0.017 -6.518 -8.568 1.00 0.00 O ATOM 752 CB ALA A 51 -3.077 -5.949 -8.091 1.00 0.00 C ATOM 0 H ALA A 51 -3.148 -3.490 -8.229 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.473 -5.206 -6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.824 -6.997 -7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.837 -5.643 -7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.462 -5.822 -9.103 1.00 0.00 H new ATOM 758 N SER A 52 -0.590 -4.862 -9.980 1.00 0.00 N ATOM 759 CA SER A 52 0.426 -5.205 -10.968 1.00 0.00 C ATOM 760 C SER A 52 1.775 -4.599 -10.593 1.00 0.00 C ATOM 761 O SER A 52 2.826 -5.190 -10.844 1.00 0.00 O ATOM 762 CB SER A 52 0.004 -4.718 -12.356 1.00 0.00 C ATOM 763 OG SER A 52 0.779 -5.332 -13.370 1.00 0.00 O ATOM 0 H SER A 52 -1.169 -4.061 -10.231 1.00 0.00 H new ATOM 0 HA SER A 52 0.527 -6.290 -10.987 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.051 -4.939 -12.517 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.116 -3.635 -12.414 1.00 0.00 H new ATOM 0 HG SER A 52 0.488 -5.005 -14.247 1.00 0.00 H new ATOM 769 N HIS A 53 1.738 -3.415 -9.990 1.00 0.00 N ATOM 770 CA HIS A 53 2.957 -2.728 -9.578 1.00 0.00 C ATOM 771 C HIS A 53 3.030 -2.615 -8.059 1.00 0.00 C ATOM 772 O HIS A 53 3.716 -1.743 -7.524 1.00 0.00 O ATOM 773 CB HIS A 53 3.021 -1.337 -10.209 1.00 0.00 C ATOM 774 CG HIS A 53 2.843 -1.345 -11.696 1.00 0.00 C ATOM 775 ND1 HIS A 53 2.259 -0.306 -12.390 1.00 0.00 N ATOM 776 CD2 HIS A 53 3.177 -2.273 -12.623 1.00 0.00 C ATOM 777 CE1 HIS A 53 2.240 -0.595 -13.679 1.00 0.00 C ATOM 778 NE2 HIS A 53 2.792 -1.784 -13.847 1.00 0.00 N ATOM 0 H HIS A 53 0.877 -2.911 -9.776 1.00 0.00 H new ATOM 0 HA HIS A 53 3.809 -3.314 -9.922 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.250 -0.709 -9.762 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.982 -0.882 -9.969 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.657 -3.222 -12.435 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.841 0.033 -14.462 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.912 -2.261 -14.741 1.00 0.00 H new ATOM 786 N ARG A 54 2.319 -3.500 -7.369 1.00 0.00 N ATOM 787 CA ARG A 54 2.302 -3.498 -5.911 1.00 0.00 C ATOM 788 C ARG A 54 3.678 -3.845 -5.351 1.00 0.00 C ATOM 789 O ARG A 54 4.050 -3.394 -4.267 1.00 0.00 O ATOM 790 CB ARG A 54 1.262 -4.491 -5.390 1.00 0.00 C ATOM 791 CG ARG A 54 1.707 -5.942 -5.480 1.00 0.00 C ATOM 792 CD ARG A 54 0.584 -6.893 -5.099 1.00 0.00 C ATOM 793 NE ARG A 54 1.090 -8.192 -4.665 1.00 0.00 N ATOM 794 CZ ARG A 54 1.669 -8.399 -3.487 1.00 0.00 C ATOM 795 NH1 ARG A 54 1.813 -7.398 -2.630 1.00 0.00 N ATOM 796 NH2 ARG A 54 2.105 -9.610 -3.164 1.00 0.00 N ATOM 0 H ARG A 54 1.747 -4.228 -7.796 1.00 0.00 H new ATOM 0 HA ARG A 54 2.035 -2.495 -5.577 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.034 -4.254 -4.351 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.338 -4.367 -5.956 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.041 -6.159 -6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.561 -6.103 -4.822 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.010 -6.450 -4.300 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.080 -7.030 -5.952 1.00 0.00 H new ATOM 0 HE ARG A 54 0.994 -8.984 -5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.479 -6.466 -2.874 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.258 -7.560 -1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.996 -10.383 -3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.549 -9.768 -2.259 1.00 0.00 H new ATOM 810 N TYR A 55 4.429 -4.649 -6.096 1.00 0.00 N ATOM 811 CA TYR A 55 5.762 -5.059 -5.672 1.00 0.00 C ATOM 812 C TYR A 55 6.757 -3.911 -5.818 1.00 0.00 C ATOM 813 O TYR A 55 6.574 -3.017 -6.643 1.00 0.00 O ATOM 814 CB TYR A 55 6.232 -6.263 -6.491 1.00 0.00 C ATOM 815 CG TYR A 55 5.142 -7.276 -6.758 1.00 0.00 C ATOM 816 CD1 TYR A 55 4.263 -7.116 -7.821 1.00 0.00 C ATOM 817 CD2 TYR A 55 4.993 -8.394 -5.946 1.00 0.00 C ATOM 818 CE1 TYR A 55 3.266 -8.040 -8.068 1.00 0.00 C ATOM 819 CE2 TYR A 55 3.999 -9.323 -6.186 1.00 0.00 C ATOM 820 CZ TYR A 55 3.138 -9.141 -7.248 1.00 0.00 C ATOM 821 OH TYR A 55 2.146 -10.064 -7.492 1.00 0.00 O ATOM 0 H TYR A 55 4.137 -5.029 -6.996 1.00 0.00 H new ATOM 0 HA TYR A 55 5.711 -5.340 -4.620 1.00 0.00 H new ATOM 0 HB2 TYR A 55 6.631 -5.911 -7.443 1.00 0.00 H new ATOM 0 HB3 TYR A 55 7.051 -6.753 -5.964 1.00 0.00 H new ATOM 0 HD1 TYR A 55 4.360 -6.255 -8.465 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.665 -8.539 -5.113 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.590 -7.901 -8.899 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.897 -10.187 -5.546 1.00 0.00 H new ATOM 0 HH TYR A 55 2.193 -10.779 -6.824 1.00 0.00 H new ATOM 831 N ALA A 56 7.812 -3.945 -5.009 1.00 0.00 N ATOM 832 CA ALA A 56 8.838 -2.911 -5.048 1.00 0.00 C ATOM 833 C ALA A 56 9.554 -2.898 -6.395 1.00 0.00 C ATOM 834 O ALA A 56 9.524 -1.900 -7.114 1.00 0.00 O ATOM 835 CB ALA A 56 9.837 -3.116 -3.919 1.00 0.00 C ATOM 0 H ALA A 56 7.978 -4.678 -4.319 1.00 0.00 H new ATOM 0 HA ALA A 56 8.350 -1.945 -4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.598 -2.336 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.319 -3.067 -2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.311 -4.092 -4.025 1.00 0.00 H new ATOM 841 N GLU A 57 10.197 -4.013 -6.728 1.00 0.00 N ATOM 842 CA GLU A 57 10.922 -4.128 -7.989 1.00 0.00 C ATOM 843 C GLU A 57 10.054 -3.673 -9.159 1.00 0.00 C ATOM 844 O GLU A 57 10.533 -3.015 -10.082 1.00 0.00 O ATOM 845 CB GLU A 57 11.379 -5.571 -8.210 1.00 0.00 C ATOM 846 CG GLU A 57 10.243 -6.580 -8.190 1.00 0.00 C ATOM 847 CD GLU A 57 10.727 -8.000 -7.971 1.00 0.00 C ATOM 848 OE1 GLU A 57 11.535 -8.484 -8.791 1.00 0.00 O ATOM 849 OE2 GLU A 57 10.299 -8.627 -6.980 1.00 0.00 O ATOM 0 H GLU A 57 10.231 -4.848 -6.144 1.00 0.00 H new ATOM 0 HA GLU A 57 11.798 -3.481 -7.936 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.895 -5.637 -9.168 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.103 -5.836 -7.439 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.540 -6.314 -7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.699 -6.527 -9.133 1.00 0.00 H new ATOM 856 N ALA A 58 8.774 -4.029 -9.112 1.00 0.00 N ATOM 857 CA ALA A 58 7.839 -3.657 -10.166 1.00 0.00 C ATOM 858 C ALA A 58 7.942 -2.171 -10.493 1.00 0.00 C ATOM 859 O ALA A 58 7.893 -1.776 -11.658 1.00 0.00 O ATOM 860 CB ALA A 58 6.417 -4.012 -9.760 1.00 0.00 C ATOM 0 H ALA A 58 8.361 -4.574 -8.355 1.00 0.00 H new ATOM 0 HA ALA A 58 8.100 -4.219 -11.063 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.730 -3.728 -10.557 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.346 -5.085 -9.584 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.155 -3.477 -8.847 1.00 0.00 H new ATOM 866 N HIS A 59 8.085 -1.351 -9.456 1.00 0.00 N ATOM 867 CA HIS A 59 8.195 0.093 -9.633 1.00 0.00 C ATOM 868 C HIS A 59 9.558 0.595 -9.166 1.00 0.00 C ATOM 869 O HIS A 59 9.689 1.728 -8.705 1.00 0.00 O ATOM 870 CB HIS A 59 7.084 0.808 -8.864 1.00 0.00 C ATOM 871 CG HIS A 59 7.219 0.698 -7.376 1.00 0.00 C ATOM 872 ND1 HIS A 59 6.505 -0.208 -6.621 1.00 0.00 N ATOM 873 CD2 HIS A 59 7.992 1.387 -6.504 1.00 0.00 C ATOM 874 CE1 HIS A 59 6.832 -0.071 -5.348 1.00 0.00 C ATOM 875 NE2 HIS A 59 7.733 0.890 -5.251 1.00 0.00 N ATOM 0 H HIS A 59 8.127 -1.662 -8.485 1.00 0.00 H new ATOM 0 HA HIS A 59 8.091 0.313 -10.695 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.080 1.862 -9.143 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.121 0.395 -9.165 1.00 0.00 H new ATOM 0 HD1 HIS A 59 5.830 -0.879 -6.988 1.00 0.00 H new ATOM 0 HD2 HIS A 59 8.683 2.180 -6.749 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.431 -0.647 -4.527 1.00 0.00 H new ATOM 883 N GLY A 60 10.571 -0.257 -9.288 1.00 0.00 N ATOM 884 CA GLY A 60 11.910 0.118 -8.873 1.00 0.00 C ATOM 885 C GLY A 60 11.918 0.898 -7.573 1.00 0.00 C ATOM 886 O GLY A 60 12.455 2.004 -7.507 1.00 0.00 O ATOM 0 H GLY A 60 10.488 -1.200 -9.667 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.516 -0.781 -8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.375 0.718 -9.656 1.00 0.00 H new ATOM 890 N CYS A 61 11.319 0.322 -6.537 1.00 0.00 N ATOM 891 CA CYS A 61 11.255 0.971 -5.232 1.00 0.00 C ATOM 892 C CYS A 61 12.567 1.683 -4.915 1.00 0.00 C ATOM 893 O CYS A 61 13.638 1.250 -5.337 1.00 0.00 O ATOM 894 CB CYS A 61 10.944 -0.057 -4.143 1.00 0.00 C ATOM 895 SG CYS A 61 10.412 0.674 -2.561 1.00 0.00 S ATOM 0 H CYS A 61 10.871 -0.593 -6.575 1.00 0.00 H new ATOM 0 HA CYS A 61 10.457 1.713 -5.261 1.00 0.00 H new ATOM 0 HB2 CYS A 61 10.163 -0.726 -4.503 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.831 -0.666 -3.969 1.00 0.00 H new ATOM 900 N ASN A 62 12.474 2.779 -4.168 1.00 0.00 N ATOM 901 CA ASN A 62 13.652 3.552 -3.794 1.00 0.00 C ATOM 902 C ASN A 62 14.093 3.219 -2.372 1.00 0.00 C ATOM 903 O ASN A 62 15.287 3.146 -2.082 1.00 0.00 O ATOM 904 CB ASN A 62 13.364 5.050 -3.913 1.00 0.00 C ATOM 905 CG ASN A 62 13.630 5.581 -5.309 1.00 0.00 C ATOM 906 OD1 ASN A 62 14.772 5.872 -5.667 1.00 0.00 O ATOM 907 ND2 ASN A 62 12.575 5.710 -6.104 1.00 0.00 N ATOM 0 H ASN A 62 11.594 3.151 -3.810 1.00 0.00 H new ATOM 0 HA ASN A 62 14.460 3.289 -4.477 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.324 5.239 -3.647 1.00 0.00 H new ATOM 0 HB3 ASN A 62 13.980 5.594 -3.197 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.692 6.063 -7.054 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.647 5.457 -5.765 1.00 0.00 H new ATOM 914 N TYR A 63 13.120 3.016 -1.490 1.00 0.00 N ATOM 915 CA TYR A 63 13.407 2.693 -0.098 1.00 0.00 C ATOM 916 C TYR A 63 14.534 1.669 0.003 1.00 0.00 C ATOM 917 O TYR A 63 14.705 0.828 -0.880 1.00 0.00 O ATOM 918 CB TYR A 63 12.152 2.155 0.592 1.00 0.00 C ATOM 919 CG TYR A 63 12.368 1.788 2.043 1.00 0.00 C ATOM 920 CD1 TYR A 63 12.631 2.765 2.994 1.00 0.00 C ATOM 921 CD2 TYR A 63 12.309 0.465 2.462 1.00 0.00 C ATOM 922 CE1 TYR A 63 12.830 2.435 4.321 1.00 0.00 C ATOM 923 CE2 TYR A 63 12.505 0.125 3.786 1.00 0.00 C ATOM 924 CZ TYR A 63 12.765 1.114 4.712 1.00 0.00 C ATOM 925 OH TYR A 63 12.963 0.780 6.032 1.00 0.00 O ATOM 0 H TYR A 63 12.126 3.069 -1.715 1.00 0.00 H new ATOM 0 HA TYR A 63 13.725 3.608 0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 63 11.363 2.905 0.529 1.00 0.00 H new ATOM 0 HB3 TYR A 63 11.800 1.276 0.052 1.00 0.00 H new ATOM 0 HD1 TYR A 63 12.681 3.801 2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 63 12.106 -0.312 1.739 1.00 0.00 H new ATOM 0 HE1 TYR A 63 13.035 3.207 5.048 1.00 0.00 H new ATOM 0 HE2 TYR A 63 12.455 -0.909 4.095 1.00 0.00 H new ATOM 0 HH TYR A 63 12.883 -0.191 6.139 1.00 0.00 H new ATOM 935 N ASP A 64 15.300 1.748 1.085 1.00 0.00 N ATOM 936 CA ASP A 64 16.411 0.828 1.304 1.00 0.00 C ATOM 937 C ASP A 64 15.979 -0.349 2.173 1.00 0.00 C ATOM 938 O ASP A 64 15.949 -0.249 3.400 1.00 0.00 O ATOM 939 CB ASP A 64 17.584 1.558 1.959 1.00 0.00 C ATOM 940 CG ASP A 64 18.766 0.643 2.215 1.00 0.00 C ATOM 941 OD1 ASP A 64 18.575 -0.591 2.196 1.00 0.00 O ATOM 942 OD2 ASP A 64 19.880 1.161 2.433 1.00 0.00 O ATOM 0 H ASP A 64 15.173 2.439 1.824 1.00 0.00 H new ATOM 0 HA ASP A 64 16.728 0.443 0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 64 17.898 2.382 1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 64 17.255 1.995 2.902 1.00 0.00 H new ATOM 947 N TYR A 65 15.644 -1.462 1.530 1.00 0.00 N ATOM 948 CA TYR A 65 15.210 -2.656 2.244 1.00 0.00 C ATOM 949 C TYR A 65 16.291 -3.733 2.211 1.00 0.00 C ATOM 950 O TYR A 65 16.030 -4.900 2.505 1.00 0.00 O ATOM 951 CB TYR A 65 13.916 -3.198 1.635 1.00 0.00 C ATOM 952 CG TYR A 65 13.808 -2.974 0.143 1.00 0.00 C ATOM 953 CD1 TYR A 65 14.851 -3.318 -0.708 1.00 0.00 C ATOM 954 CD2 TYR A 65 12.663 -2.419 -0.415 1.00 0.00 C ATOM 955 CE1 TYR A 65 14.757 -3.114 -2.071 1.00 0.00 C ATOM 956 CE2 TYR A 65 12.560 -2.213 -1.777 1.00 0.00 C ATOM 957 CZ TYR A 65 13.610 -2.562 -2.601 1.00 0.00 C ATOM 958 OH TYR A 65 13.512 -2.358 -3.958 1.00 0.00 O ATOM 0 H TYR A 65 15.665 -1.562 0.515 1.00 0.00 H new ATOM 0 HA TYR A 65 15.027 -2.381 3.283 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.848 -4.267 1.839 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.067 -2.725 2.127 1.00 0.00 H new ATOM 0 HD1 TYR A 65 15.750 -3.752 -0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.839 -2.144 0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 65 15.578 -3.386 -2.718 1.00 0.00 H new ATOM 0 HE2 TYR A 65 11.662 -1.781 -2.195 1.00 0.00 H new ATOM 0 HH TYR A 65 12.753 -2.868 -4.312 1.00 0.00 H new ATOM 968 N LYS A 66 17.505 -3.332 1.852 1.00 0.00 N ATOM 969 CA LYS A 66 18.628 -4.260 1.781 1.00 0.00 C ATOM 970 C LYS A 66 19.223 -4.500 3.165 1.00 0.00 C ATOM 971 O LYS A 66 19.619 -3.559 3.853 1.00 0.00 O ATOM 972 CB LYS A 66 19.705 -3.719 0.839 1.00 0.00 C ATOM 973 CG LYS A 66 20.504 -4.806 0.140 1.00 0.00 C ATOM 974 CD LYS A 66 21.692 -4.229 -0.612 1.00 0.00 C ATOM 975 CE LYS A 66 21.251 -3.483 -1.862 1.00 0.00 C ATOM 976 NZ LYS A 66 20.818 -4.415 -2.940 1.00 0.00 N ATOM 0 H LYS A 66 17.737 -2.370 1.605 1.00 0.00 H new ATOM 0 HA LYS A 66 18.258 -5.209 1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.234 -3.086 0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.387 -3.086 1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.855 -5.531 0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 66 19.859 -5.343 -0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 66 22.244 -3.553 0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 66 22.374 -5.033 -0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 66 20.431 -2.810 -1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.072 -2.865 -2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.671 -3.882 -3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.551 -5.137 -3.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 19.929 -4.877 -2.663 1.00 0.00 H new ATOM 990 N SER A 67 19.284 -5.766 3.567 1.00 0.00 N ATOM 991 CA SER A 67 19.829 -6.128 4.870 1.00 0.00 C ATOM 992 C SER A 67 18.934 -5.616 5.995 1.00 0.00 C ATOM 993 O SER A 67 19.419 -5.117 7.010 1.00 0.00 O ATOM 994 CB SER A 67 21.242 -5.565 5.030 1.00 0.00 C ATOM 995 OG SER A 67 22.045 -5.876 3.905 1.00 0.00 O ATOM 0 H SER A 67 18.963 -6.557 3.009 1.00 0.00 H new ATOM 0 HA SER A 67 19.871 -7.216 4.929 1.00 0.00 H new ATOM 0 HB2 SER A 67 21.194 -4.484 5.158 1.00 0.00 H new ATOM 0 HB3 SER A 67 21.700 -5.973 5.931 1.00 0.00 H new ATOM 0 HG SER A 67 22.943 -5.504 4.031 1.00 0.00 H new ATOM 1001 N ALA A 68 17.625 -5.743 5.805 1.00 0.00 N ATOM 1002 CA ALA A 68 16.662 -5.295 6.804 1.00 0.00 C ATOM 1003 C ALA A 68 16.803 -6.088 8.098 1.00 0.00 C ATOM 1004 O ALA A 68 16.760 -5.525 9.191 1.00 0.00 O ATOM 1005 CB ALA A 68 15.245 -5.414 6.261 1.00 0.00 C ATOM 0 H ALA A 68 17.207 -6.152 4.969 1.00 0.00 H new ATOM 0 HA ALA A 68 16.868 -4.248 7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.536 -5.076 7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.145 -4.797 5.368 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.038 -6.454 6.009 1.00 0.00 H new ATOM 1011 N GLY A 69 16.972 -7.401 7.967 1.00 0.00 N ATOM 1012 CA GLY A 69 17.116 -8.251 9.134 1.00 0.00 C ATOM 1013 C GLY A 69 16.281 -9.512 9.040 1.00 0.00 C ATOM 1014 O GLY A 69 15.154 -9.483 8.546 1.00 0.00 O ATOM 0 H GLY A 69 17.012 -7.891 7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 69 18.165 -8.522 9.255 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.826 -7.693 10.024 1.00 0.00 H new ATOM 1018 N ARG A 70 16.835 -10.623 9.513 1.00 0.00 N ATOM 1019 CA ARG A 70 16.134 -11.901 9.478 1.00 0.00 C ATOM 1020 C ARG A 70 16.768 -12.896 10.446 1.00 0.00 C ATOM 1021 O ARG A 70 17.958 -12.811 10.749 1.00 0.00 O ATOM 1022 CB ARG A 70 16.148 -12.475 8.060 1.00 0.00 C ATOM 1023 CG ARG A 70 17.544 -12.774 7.537 1.00 0.00 C ATOM 1024 CD ARG A 70 17.572 -12.819 6.017 1.00 0.00 C ATOM 1025 NE ARG A 70 17.270 -14.152 5.503 1.00 0.00 N ATOM 1026 CZ ARG A 70 16.920 -14.392 4.244 1.00 0.00 C ATOM 1027 NH1 ARG A 70 16.830 -13.395 3.376 1.00 0.00 N ATOM 1028 NH2 ARG A 70 16.661 -15.633 3.852 1.00 0.00 N ATOM 0 H ARG A 70 17.767 -10.664 9.925 1.00 0.00 H new ATOM 0 HA ARG A 70 15.102 -11.729 9.784 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.559 -13.392 8.043 1.00 0.00 H new ATOM 0 HB3 ARG A 70 15.660 -11.770 7.387 1.00 0.00 H new ATOM 0 HG2 ARG A 70 18.238 -12.012 7.892 1.00 0.00 H new ATOM 0 HG3 ARG A 70 17.887 -13.728 7.937 1.00 0.00 H new ATOM 0 HD2 ARG A 70 16.850 -12.105 5.620 1.00 0.00 H new ATOM 0 HD3 ARG A 70 18.555 -12.508 5.663 1.00 0.00 H new ATOM 0 HE ARG A 70 17.331 -14.942 6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 70 17.030 -12.440 3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.561 -13.582 2.410 1.00 0.00 H new ATOM 0 HH21 ARG A 70 16.731 -16.403 4.517 1.00 0.00 H new ATOM 0 HH22 ARG A 70 16.392 -15.817 2.885 1.00 0.00 H new ATOM 1042 N ARG A 71 15.963 -13.837 10.929 1.00 0.00 N ATOM 1043 CA ARG A 71 16.444 -14.847 11.865 1.00 0.00 C ATOM 1044 C ARG A 71 16.171 -16.252 11.337 1.00 0.00 C ATOM 1045 O ARG A 71 15.041 -16.738 11.390 1.00 0.00 O ATOM 1046 CB ARG A 71 15.779 -14.666 13.230 1.00 0.00 C ATOM 1047 CG ARG A 71 16.495 -15.391 14.358 1.00 0.00 C ATOM 1048 CD ARG A 71 15.961 -16.803 14.540 1.00 0.00 C ATOM 1049 NE ARG A 71 16.673 -17.527 15.589 1.00 0.00 N ATOM 1050 CZ ARG A 71 16.183 -18.594 16.209 1.00 0.00 C ATOM 1051 NH1 ARG A 71 14.985 -19.060 15.885 1.00 0.00 N ATOM 1052 NH2 ARG A 71 16.892 -19.199 17.154 1.00 0.00 N ATOM 0 H ARG A 71 14.975 -13.921 10.688 1.00 0.00 H new ATOM 0 HA ARG A 71 17.521 -14.721 11.974 1.00 0.00 H new ATOM 0 HB2 ARG A 71 15.734 -13.602 13.464 1.00 0.00 H new ATOM 0 HB3 ARG A 71 14.751 -15.024 13.174 1.00 0.00 H new ATOM 0 HG2 ARG A 71 17.564 -15.429 14.147 1.00 0.00 H new ATOM 0 HG3 ARG A 71 16.373 -14.832 15.286 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.900 -16.760 14.785 1.00 0.00 H new ATOM 0 HD3 ARG A 71 16.049 -17.348 13.600 1.00 0.00 H new ATOM 0 HE ARG A 71 17.598 -17.195 15.861 1.00 0.00 H new ATOM 0 HH11 ARG A 71 14.438 -18.599 15.158 1.00 0.00 H new ATOM 0 HH12 ARG A 71 14.610 -19.880 16.362 1.00 0.00 H new ATOM 0 HH21 ARG A 71 17.815 -18.844 17.405 1.00 0.00 H new ATOM 0 HH22 ARG A 71 16.514 -20.019 17.629 1.00 0.00 H new ATOM 1066 N TYR A 72 17.213 -16.899 10.826 1.00 0.00 N ATOM 1067 CA TYR A 72 17.085 -18.247 10.285 1.00 0.00 C ATOM 1068 C TYR A 72 17.440 -19.292 11.338 1.00 0.00 C ATOM 1069 O TYR A 72 18.328 -19.082 12.165 1.00 0.00 O ATOM 1070 CB TYR A 72 17.986 -18.415 9.060 1.00 0.00 C ATOM 1071 CG TYR A 72 17.467 -19.425 8.061 1.00 0.00 C ATOM 1072 CD1 TYR A 72 17.711 -20.783 8.226 1.00 0.00 C ATOM 1073 CD2 TYR A 72 16.733 -19.020 6.953 1.00 0.00 C ATOM 1074 CE1 TYR A 72 17.239 -21.708 7.315 1.00 0.00 C ATOM 1075 CE2 TYR A 72 16.256 -19.939 6.038 1.00 0.00 C ATOM 1076 CZ TYR A 72 16.513 -21.282 6.223 1.00 0.00 C ATOM 1077 OH TYR A 72 16.040 -22.201 5.315 1.00 0.00 O ATOM 0 H TYR A 72 18.155 -16.512 10.775 1.00 0.00 H new ATOM 0 HA TYR A 72 16.047 -18.395 9.987 1.00 0.00 H new ATOM 0 HB2 TYR A 72 18.096 -17.450 8.565 1.00 0.00 H new ATOM 0 HB3 TYR A 72 18.980 -18.719 9.389 1.00 0.00 H new ATOM 0 HD1 TYR A 72 18.279 -21.121 9.080 1.00 0.00 H new ATOM 0 HD2 TYR A 72 16.532 -17.969 6.804 1.00 0.00 H new ATOM 0 HE1 TYR A 72 17.438 -22.760 7.457 1.00 0.00 H new ATOM 0 HE2 TYR A 72 15.685 -19.608 5.183 1.00 0.00 H new ATOM 0 HH TYR A 72 15.548 -21.737 4.606 1.00 0.00 H new ATOM 1087 N LEU A 73 16.739 -20.420 11.302 1.00 0.00 N ATOM 1088 CA LEU A 73 16.978 -21.501 12.252 1.00 0.00 C ATOM 1089 C LEU A 73 18.471 -21.783 12.391 1.00 0.00 C ATOM 1090 O LEU A 73 19.126 -22.195 11.434 1.00 0.00 O ATOM 1091 CB LEU A 73 16.248 -22.769 11.806 1.00 0.00 C ATOM 1092 CG LEU A 73 14.754 -22.617 11.518 1.00 0.00 C ATOM 1093 CD1 LEU A 73 14.215 -23.858 10.824 1.00 0.00 C ATOM 1094 CD2 LEU A 73 13.987 -22.347 12.804 1.00 0.00 C ATOM 0 H LEU A 73 16.000 -20.610 10.625 1.00 0.00 H new ATOM 0 HA LEU A 73 16.593 -21.190 13.223 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.734 -23.147 10.907 1.00 0.00 H new ATOM 0 HB3 LEU A 73 16.373 -23.527 12.579 1.00 0.00 H new ATOM 0 HG LEU A 73 14.617 -21.765 10.852 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.150 -23.731 10.627 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.743 -24.006 9.882 1.00 0.00 H new ATOM 0 HD13 LEU A 73 14.365 -24.727 11.465 1.00 0.00 H new ATOM 0 HD21 LEU A 73 12.926 -22.242 12.579 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.131 -23.178 13.495 1.00 0.00 H new ATOM 0 HD23 LEU A 73 14.354 -21.428 13.260 1.00 0.00 H new ATOM 1106 N GLU A 74 19.001 -21.559 13.589 1.00 0.00 N ATOM 1107 CA GLU A 74 20.416 -21.790 13.853 1.00 0.00 C ATOM 1108 C GLU A 74 20.895 -23.068 13.170 1.00 0.00 C ATOM 1109 O GLU A 74 20.182 -24.070 13.135 1.00 0.00 O ATOM 1110 CB GLU A 74 20.669 -21.879 15.360 1.00 0.00 C ATOM 1111 CG GLU A 74 20.708 -20.527 16.051 1.00 0.00 C ATOM 1112 CD GLU A 74 20.868 -20.645 17.555 1.00 0.00 C ATOM 1113 OE1 GLU A 74 22.023 -20.681 18.028 1.00 0.00 O ATOM 1114 OE2 GLU A 74 19.838 -20.701 18.258 1.00 0.00 O ATOM 0 H GLU A 74 18.472 -21.218 14.392 1.00 0.00 H new ATOM 0 HA GLU A 74 20.977 -20.948 13.447 1.00 0.00 H new ATOM 0 HB2 GLU A 74 19.888 -22.488 15.816 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.615 -22.393 15.531 1.00 0.00 H new ATOM 0 HG2 GLU A 74 21.533 -19.940 15.647 1.00 0.00 H new ATOM 0 HG3 GLU A 74 19.790 -19.983 15.829 1.00 0.00 H new ATOM 1121 N GLU A 75 22.108 -23.022 12.627 1.00 0.00 N ATOM 1122 CA GLU A 75 22.682 -24.176 11.943 1.00 0.00 C ATOM 1123 C GLU A 75 24.111 -24.431 12.413 1.00 0.00 C ATOM 1124 O GLU A 75 24.861 -23.496 12.691 1.00 0.00 O ATOM 1125 CB GLU A 75 22.662 -23.960 10.429 1.00 0.00 C ATOM 1126 CG GLU A 75 23.118 -25.173 9.635 1.00 0.00 C ATOM 1127 CD GLU A 75 23.660 -24.806 8.267 1.00 0.00 C ATOM 1128 OE1 GLU A 75 24.871 -24.517 8.168 1.00 0.00 O ATOM 1129 OE2 GLU A 75 22.874 -24.807 7.297 1.00 0.00 O ATOM 0 H GLU A 75 22.711 -22.200 12.647 1.00 0.00 H new ATOM 0 HA GLU A 75 22.077 -25.049 12.186 1.00 0.00 H new ATOM 0 HB2 GLU A 75 21.651 -23.694 10.122 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.303 -23.113 10.183 1.00 0.00 H new ATOM 0 HG2 GLU A 75 23.888 -25.701 10.197 1.00 0.00 H new ATOM 0 HG3 GLU A 75 22.281 -25.861 9.517 1.00 0.00 H new ATOM 1136 N ALA A 76 24.480 -25.705 12.500 1.00 0.00 N ATOM 1137 CA ALA A 76 25.819 -26.085 12.934 1.00 0.00 C ATOM 1138 C ALA A 76 26.461 -27.055 11.948 1.00 0.00 C ATOM 1139 O ALA A 76 25.783 -27.635 11.102 1.00 0.00 O ATOM 1140 CB ALA A 76 25.767 -26.699 14.325 1.00 0.00 C ATOM 0 H ALA A 76 23.870 -26.491 12.276 1.00 0.00 H new ATOM 0 HA ALA A 76 26.433 -25.185 12.969 1.00 0.00 H new ATOM 0 HB1 ALA A 76 26.773 -26.978 14.637 1.00 0.00 H new ATOM 0 HB2 ALA A 76 25.357 -25.974 15.028 1.00 0.00 H new ATOM 0 HB3 ALA A 76 25.133 -27.586 14.308 1.00 0.00 H new ATOM 1146 N ASN A 77 27.774 -27.225 12.064 1.00 0.00 N ATOM 1147 CA ASN A 77 28.509 -28.124 11.181 1.00 0.00 C ATOM 1148 C ASN A 77 28.450 -29.559 11.695 1.00 0.00 C ATOM 1149 O ASN A 77 28.544 -29.820 12.895 1.00 0.00 O ATOM 1150 CB ASN A 77 29.966 -27.674 11.059 1.00 0.00 C ATOM 1151 CG ASN A 77 30.712 -27.764 12.376 1.00 0.00 C ATOM 1152 OD1 ASN A 77 30.123 -28.055 13.417 1.00 0.00 O ATOM 1153 ND2 ASN A 77 32.015 -27.512 12.337 1.00 0.00 N ATOM 0 H ASN A 77 28.351 -26.753 12.760 1.00 0.00 H new ATOM 0 HA ASN A 77 28.041 -28.089 10.197 1.00 0.00 H new ATOM 0 HB2 ASN A 77 30.472 -28.289 10.315 1.00 0.00 H new ATOM 0 HB3 ASN A 77 29.997 -26.646 10.697 1.00 0.00 H new ATOM 0 HD21 ASN A 77 32.569 -27.556 13.192 1.00 0.00 H new ATOM 0 HD22 ASN A 77 32.462 -27.275 11.452 1.00 0.00 H new ATOM 1160 N PRO A 78 28.291 -30.514 10.767 1.00 0.00 N ATOM 1161 CA PRO A 78 28.216 -31.939 11.102 1.00 0.00 C ATOM 1162 C PRO A 78 29.554 -32.492 11.582 1.00 0.00 C ATOM 1163 O PRO A 78 30.540 -31.762 11.681 1.00 0.00 O ATOM 1164 CB PRO A 78 27.811 -32.594 9.779 1.00 0.00 C ATOM 1165 CG PRO A 78 28.292 -31.654 8.728 1.00 0.00 C ATOM 1166 CD PRO A 78 28.171 -30.276 9.319 1.00 0.00 C ATOM 0 HA PRO A 78 27.519 -32.130 11.918 1.00 0.00 H new ATOM 0 HB2 PRO A 78 28.267 -33.578 9.669 1.00 0.00 H new ATOM 0 HB3 PRO A 78 26.732 -32.734 9.721 1.00 0.00 H new ATOM 0 HG2 PRO A 78 29.324 -31.871 8.453 1.00 0.00 H new ATOM 0 HG3 PRO A 78 27.694 -31.744 7.821 1.00 0.00 H new ATOM 0 HD2 PRO A 78 28.955 -29.612 8.955 1.00 0.00 H new ATOM 0 HD3 PRO A 78 27.218 -29.812 9.066 1.00 0.00 H new ATOM 1174 N VAL A 79 29.581 -33.788 11.879 1.00 0.00 N ATOM 1175 CA VAL A 79 30.799 -34.439 12.348 1.00 0.00 C ATOM 1176 C VAL A 79 30.596 -35.943 12.493 1.00 0.00 C ATOM 1177 O VAL A 79 29.491 -36.407 12.774 1.00 0.00 O ATOM 1178 CB VAL A 79 31.260 -33.862 13.699 1.00 0.00 C ATOM 1179 CG1 VAL A 79 30.272 -34.221 14.799 1.00 0.00 C ATOM 1180 CG2 VAL A 79 32.656 -34.359 14.042 1.00 0.00 C ATOM 0 H VAL A 79 28.774 -34.407 11.803 1.00 0.00 H new ATOM 0 HA VAL A 79 31.568 -34.249 11.599 1.00 0.00 H new ATOM 0 HB VAL A 79 31.296 -32.776 13.617 1.00 0.00 H new ATOM 0 HG11 VAL A 79 30.615 -33.805 15.746 1.00 0.00 H new ATOM 0 HG12 VAL A 79 29.292 -33.811 14.556 1.00 0.00 H new ATOM 0 HG13 VAL A 79 30.200 -35.305 14.884 1.00 0.00 H new ATOM 0 HG21 VAL A 79 32.966 -33.941 15.000 1.00 0.00 H new ATOM 0 HG22 VAL A 79 32.649 -35.447 14.106 1.00 0.00 H new ATOM 0 HG23 VAL A 79 33.355 -34.045 13.266 1.00 0.00 H new ATOM 1190 N SER A 80 31.671 -36.701 12.300 1.00 0.00 N ATOM 1191 CA SER A 80 31.611 -38.154 12.406 1.00 0.00 C ATOM 1192 C SER A 80 32.996 -38.737 12.672 1.00 0.00 C ATOM 1193 O SER A 80 33.999 -38.026 12.631 1.00 0.00 O ATOM 1194 CB SER A 80 31.028 -38.756 11.126 1.00 0.00 C ATOM 1195 OG SER A 80 29.612 -38.750 11.158 1.00 0.00 O ATOM 0 H SER A 80 32.594 -36.333 12.069 1.00 0.00 H new ATOM 0 HA SER A 80 30.963 -38.406 13.245 1.00 0.00 H new ATOM 0 HB2 SER A 80 31.378 -38.190 10.262 1.00 0.00 H new ATOM 0 HB3 SER A 80 31.388 -39.778 11.004 1.00 0.00 H new ATOM 0 HG SER A 80 29.301 -38.017 11.730 1.00 0.00 H new ATOM 1201 N GLY A 81 33.041 -40.038 12.944 1.00 0.00 N ATOM 1202 CA GLY A 81 34.307 -40.695 13.213 1.00 0.00 C ATOM 1203 C GLY A 81 34.178 -42.205 13.252 1.00 0.00 C ATOM 1204 O GLY A 81 33.249 -42.755 13.842 1.00 0.00 O ATOM 0 H GLY A 81 32.224 -40.648 12.983 1.00 0.00 H new ATOM 0 HA2 GLY A 81 35.029 -40.414 12.446 1.00 0.00 H new ATOM 0 HA3 GLY A 81 34.701 -40.342 14.166 1.00 0.00 H new ATOM 1208 N PRO A 82 35.129 -42.900 12.610 1.00 0.00 N ATOM 1209 CA PRO A 82 35.139 -44.365 12.558 1.00 0.00 C ATOM 1210 C PRO A 82 35.459 -44.991 13.912 1.00 0.00 C ATOM 1211 O PRO A 82 35.691 -44.285 14.893 1.00 0.00 O ATOM 1212 CB PRO A 82 36.249 -44.677 11.550 1.00 0.00 C ATOM 1213 CG PRO A 82 37.151 -43.493 11.603 1.00 0.00 C ATOM 1214 CD PRO A 82 36.267 -42.310 11.885 1.00 0.00 C ATOM 0 HA PRO A 82 34.166 -44.769 12.280 1.00 0.00 H new ATOM 0 HB2 PRO A 82 36.780 -45.591 11.816 1.00 0.00 H new ATOM 0 HB3 PRO A 82 35.845 -44.823 10.548 1.00 0.00 H new ATOM 0 HG2 PRO A 82 37.905 -43.611 12.382 1.00 0.00 H new ATOM 0 HG3 PRO A 82 37.684 -43.366 10.661 1.00 0.00 H new ATOM 0 HD2 PRO A 82 36.780 -41.559 12.485 1.00 0.00 H new ATOM 0 HD3 PRO A 82 35.947 -41.819 10.966 1.00 0.00 H new ATOM 1222 N SER A 83 35.468 -46.319 13.957 1.00 0.00 N ATOM 1223 CA SER A 83 35.756 -47.040 15.192 1.00 0.00 C ATOM 1224 C SER A 83 36.600 -48.280 14.913 1.00 0.00 C ATOM 1225 O SER A 83 36.831 -48.641 13.759 1.00 0.00 O ATOM 1226 CB SER A 83 34.454 -47.441 15.888 1.00 0.00 C ATOM 1227 OG SER A 83 33.954 -46.382 16.685 1.00 0.00 O ATOM 0 H SER A 83 35.279 -46.918 13.153 1.00 0.00 H new ATOM 0 HA SER A 83 36.321 -46.377 15.848 1.00 0.00 H new ATOM 0 HB2 SER A 83 33.710 -47.721 15.142 1.00 0.00 H new ATOM 0 HB3 SER A 83 34.626 -48.319 16.511 1.00 0.00 H new ATOM 0 HG SER A 83 34.351 -45.536 16.391 1.00 0.00 H new ATOM 1233 N SER A 84 37.058 -48.928 15.979 1.00 0.00 N ATOM 1234 CA SER A 84 37.880 -50.126 15.851 1.00 0.00 C ATOM 1235 C SER A 84 37.140 -51.212 15.075 1.00 0.00 C ATOM 1236 O SER A 84 35.949 -51.088 14.796 1.00 0.00 O ATOM 1237 CB SER A 84 38.274 -50.649 17.233 1.00 0.00 C ATOM 1238 OG SER A 84 39.493 -51.371 17.177 1.00 0.00 O ATOM 0 H SER A 84 36.874 -48.644 16.941 1.00 0.00 H new ATOM 0 HA SER A 84 38.782 -49.861 15.300 1.00 0.00 H new ATOM 0 HB2 SER A 84 38.374 -49.814 17.926 1.00 0.00 H new ATOM 0 HB3 SER A 84 37.484 -51.292 17.621 1.00 0.00 H new ATOM 0 HG SER A 84 39.724 -51.693 18.073 1.00 0.00 H new ATOM 1244 N GLY A 85 37.858 -52.276 14.730 1.00 0.00 N ATOM 1245 CA GLY A 85 37.255 -53.369 13.989 1.00 0.00 C ATOM 1246 C GLY A 85 38.087 -54.635 14.044 1.00 0.00 C ATOM 1247 O GLY A 85 38.593 -54.973 15.112 1.00 0.00 O ATOM 0 H GLY A 85 38.846 -52.401 14.950 1.00 0.00 H new ATOM 0 HA2 GLY A 85 36.262 -53.572 14.391 1.00 0.00 H new ATOM 0 HA3 GLY A 85 37.123 -53.070 12.949 1.00 0.00 H new TER 1251 GLY A 85 HETATM 1252 ZN ZN A 201 0.334 0.719 -11.586 1.00 0.00 ZN HETATM 1253 ZN ZN A 401 8.149 1.149 -2.971 1.00 0.00 ZN