USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=22 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 146:sc= 0.252 USER MOD Set 1.2: A 40 SER OG : rot 5:sc= 1.65 USER MOD Set 1.3: A 48 ASN : amide:sc= 0.406 K(o=2.3,f=-3.2) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0574 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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= -0.214 X(o=-0.21,f=-0.21) USER MOD Single : A 10 HIS :FLIP no HD1:sc= -0.764 F(o=-1.4,f=-0.76) 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) USER MOD Single : A 20 THR OG1 : rot 40:sc= 0.808 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -174:sc= 0 (180deg=-0.0356) USER MOD Single : A 27 HIS : no HD1:sc= -0.829 K(o=-0.83,f=-2.5) USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= 0.0125 (180deg=-0.109) USER MOD Single : A 34 LYS NZ :NH3+ 156:sc= -0.705 (180deg=-1.49) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0645 USER MOD Single : A 47 ASN : amide:sc=-0.00209 X(o=-0.0021,f=-0.5) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -7.39! C(o=-7.4!,f=-9!) 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 165:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -59:sc= 1.19 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.44 K(o=-1.4,f=-5.9!) 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 -16.560 69.568 -34.649 1.00 0.00 N ATOM 2 CA GLY A 1 -16.886 69.320 -33.257 1.00 0.00 C ATOM 3 C GLY A 1 -18.078 68.398 -33.096 1.00 0.00 C ATOM 4 O GLY A 1 -18.918 68.295 -33.990 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.673 69.082 -34.890 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.326 69.210 -35.254 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.447 70.590 -34.802 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.022 68.882 -32.757 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.094 70.268 -32.761 1.00 0.00 H new ATOM 8 N SER A 2 -18.153 67.724 -31.953 1.00 0.00 N ATOM 9 CA SER A 2 -19.248 66.801 -31.679 1.00 0.00 C ATOM 10 C SER A 2 -19.216 66.334 -30.227 1.00 0.00 C ATOM 11 O SER A 2 -18.276 66.629 -29.490 1.00 0.00 O ATOM 12 CB SER A 2 -19.173 65.595 -32.617 1.00 0.00 C ATOM 13 OG SER A 2 -17.890 64.993 -32.572 1.00 0.00 O ATOM 0 H SER A 2 -17.468 67.800 -31.201 1.00 0.00 H new ATOM 0 HA SER A 2 -20.186 67.328 -31.851 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.931 64.864 -32.336 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.395 65.909 -33.637 1.00 0.00 H new ATOM 0 HG SER A 2 -17.868 64.224 -33.179 1.00 0.00 H new ATOM 19 N SER A 3 -20.249 65.602 -29.825 1.00 0.00 N ATOM 20 CA SER A 3 -20.342 65.096 -28.460 1.00 0.00 C ATOM 21 C SER A 3 -21.472 64.079 -28.333 1.00 0.00 C ATOM 22 O SER A 3 -22.346 63.994 -29.195 1.00 0.00 O ATOM 23 CB SER A 3 -20.567 66.249 -27.480 1.00 0.00 C ATOM 24 OG SER A 3 -21.874 66.781 -27.609 1.00 0.00 O ATOM 0 H SER A 3 -21.034 65.346 -30.424 1.00 0.00 H new ATOM 0 HA SER A 3 -19.402 64.601 -28.218 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.413 65.898 -26.460 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.832 67.033 -27.662 1.00 0.00 H new ATOM 0 HG SER A 3 -21.993 67.515 -26.971 1.00 0.00 H new ATOM 30 N GLY A 4 -21.448 63.307 -27.251 1.00 0.00 N ATOM 31 CA GLY A 4 -22.474 62.306 -27.030 1.00 0.00 C ATOM 32 C GLY A 4 -21.951 61.094 -26.285 1.00 0.00 C ATOM 33 O GLY A 4 -20.801 60.693 -26.468 1.00 0.00 O ATOM 0 H GLY A 4 -20.735 63.357 -26.523 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.294 62.749 -26.466 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.882 61.990 -27.990 1.00 0.00 H new ATOM 37 N SER A 5 -22.795 60.509 -25.442 1.00 0.00 N ATOM 38 CA SER A 5 -22.410 59.339 -24.662 1.00 0.00 C ATOM 39 C SER A 5 -23.640 58.613 -24.126 1.00 0.00 C ATOM 40 O SER A 5 -24.709 59.206 -23.979 1.00 0.00 O ATOM 41 CB SER A 5 -21.500 59.749 -23.502 1.00 0.00 C ATOM 42 OG SER A 5 -20.859 58.621 -22.933 1.00 0.00 O ATOM 0 H SER A 5 -23.751 60.826 -25.281 1.00 0.00 H new ATOM 0 HA SER A 5 -21.866 58.660 -25.318 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.751 60.457 -23.856 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.086 60.261 -22.739 1.00 0.00 H new ATOM 0 HG SER A 5 -20.282 58.910 -22.195 1.00 0.00 H new ATOM 48 N SER A 6 -23.481 57.326 -23.835 1.00 0.00 N ATOM 49 CA SER A 6 -24.579 56.518 -23.319 1.00 0.00 C ATOM 50 C SER A 6 -24.075 55.160 -22.838 1.00 0.00 C ATOM 51 O SER A 6 -23.203 54.553 -23.460 1.00 0.00 O ATOM 52 CB SER A 6 -25.649 56.325 -24.395 1.00 0.00 C ATOM 53 OG SER A 6 -25.276 55.306 -25.308 1.00 0.00 O ATOM 0 H SER A 6 -22.602 56.821 -23.948 1.00 0.00 H new ATOM 0 HA SER A 6 -25.017 57.045 -22.472 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.599 56.068 -23.926 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.802 57.261 -24.932 1.00 0.00 H new ATOM 0 HG SER A 6 -25.977 55.201 -25.985 1.00 0.00 H new ATOM 59 N GLY A 7 -24.630 54.689 -21.726 1.00 0.00 N ATOM 60 CA GLY A 7 -24.225 53.408 -21.179 1.00 0.00 C ATOM 61 C GLY A 7 -25.161 52.919 -20.092 1.00 0.00 C ATOM 62 O GLY A 7 -25.800 53.719 -19.407 1.00 0.00 O ATOM 0 H GLY A 7 -25.354 55.172 -21.194 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.187 52.670 -21.980 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.216 53.492 -20.775 1.00 0.00 H new ATOM 66 N ILE A 8 -25.245 51.602 -19.933 1.00 0.00 N ATOM 67 CA ILE A 8 -26.111 51.009 -18.922 1.00 0.00 C ATOM 68 C ILE A 8 -25.556 49.674 -18.438 1.00 0.00 C ATOM 69 O ILE A 8 -24.970 48.915 -19.211 1.00 0.00 O ATOM 70 CB ILE A 8 -27.538 50.794 -19.459 1.00 0.00 C ATOM 71 CG1 ILE A 8 -27.552 49.671 -20.499 1.00 0.00 C ATOM 72 CG2 ILE A 8 -28.079 52.084 -20.057 1.00 0.00 C ATOM 73 CD1 ILE A 8 -26.613 49.912 -21.660 1.00 0.00 C ATOM 0 H ILE A 8 -24.724 50.926 -20.491 1.00 0.00 H new ATOM 0 HA ILE A 8 -26.147 51.709 -18.087 1.00 0.00 H new ATOM 0 HB ILE A 8 -28.182 50.503 -18.629 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -27.283 48.733 -20.013 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -28.566 49.553 -20.881 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -29.088 51.916 -20.432 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -28.101 52.859 -19.291 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -27.436 52.403 -20.877 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -26.675 49.077 -22.357 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -26.895 50.833 -22.171 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -25.592 50.000 -21.290 1.00 0.00 H new ATOM 85 N HIS A 9 -25.745 49.391 -17.153 1.00 0.00 N ATOM 86 CA HIS A 9 -25.265 48.146 -16.565 1.00 0.00 C ATOM 87 C HIS A 9 -26.254 47.616 -15.531 1.00 0.00 C ATOM 88 O HIS A 9 -26.929 48.389 -14.850 1.00 0.00 O ATOM 89 CB HIS A 9 -23.897 48.357 -15.916 1.00 0.00 C ATOM 90 CG HIS A 9 -22.866 48.903 -16.857 1.00 0.00 C ATOM 91 ND1 HIS A 9 -22.456 50.219 -16.842 1.00 0.00 N ATOM 92 CD2 HIS A 9 -22.161 48.302 -17.843 1.00 0.00 C ATOM 93 CE1 HIS A 9 -21.544 50.405 -17.779 1.00 0.00 C ATOM 94 NE2 HIS A 9 -21.347 49.256 -18.401 1.00 0.00 N ATOM 0 H HIS A 9 -26.227 50.007 -16.499 1.00 0.00 H new ATOM 0 HA HIS A 9 -25.171 47.410 -17.363 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -24.005 49.039 -15.073 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -23.544 47.407 -15.514 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -22.227 47.265 -18.136 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -21.045 51.337 -17.999 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -20.696 49.103 -19.171 1.00 0.00 H new ATOM 102 N HIS A 10 -26.336 46.294 -15.420 1.00 0.00 N ATOM 103 CA HIS A 10 -27.243 45.661 -14.469 1.00 0.00 C ATOM 104 C HIS A 10 -26.956 44.167 -14.356 1.00 0.00 C ATOM 105 O HIS A 10 -27.040 43.432 -15.341 1.00 0.00 O ATOM 106 CB HIS A 10 -28.695 45.883 -14.892 1.00 0.00 C ATOM 107 CG HIS A 10 -29.204 44.851 -15.851 1.00 0.00 C ATOM 108 ND1 HIS A 10 -29.780 43.646 -15.631 1.00 0.00 N flip ATOM 109 CD2 HIS A 10 -29.147 45.002 -17.220 1.00 0.00 C flip ATOM 110 CE1 HIS A 10 -30.059 43.098 -16.859 1.00 0.00 C flip ATOM 111 NE2 HIS A 10 -29.668 43.936 -17.801 1.00 0.00 N flip ATOM 0 H HIS A 10 -25.785 45.640 -15.977 1.00 0.00 H new ATOM 0 HA HIS A 10 -27.083 46.118 -13.493 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -29.327 45.885 -14.004 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -28.785 46.868 -15.350 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -28.740 45.858 -17.737 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -30.523 42.137 -17.027 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -29.754 43.786 -18.806 1.00 0.00 H new ATOM 119 N LEU A 11 -26.617 43.724 -13.151 1.00 0.00 N ATOM 120 CA LEU A 11 -26.317 42.317 -12.909 1.00 0.00 C ATOM 121 C LEU A 11 -27.482 41.623 -12.212 1.00 0.00 C ATOM 122 O LEU A 11 -27.941 42.044 -11.149 1.00 0.00 O ATOM 123 CB LEU A 11 -25.049 42.184 -12.063 1.00 0.00 C ATOM 124 CG LEU A 11 -25.219 42.403 -10.560 1.00 0.00 C ATOM 125 CD1 LEU A 11 -25.593 41.101 -9.869 1.00 0.00 C ATOM 126 CD2 LEU A 11 -23.947 42.982 -9.957 1.00 0.00 C ATOM 0 H LEU A 11 -26.543 44.319 -12.326 1.00 0.00 H new ATOM 0 HA LEU A 11 -26.156 41.835 -13.873 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -24.634 41.188 -12.220 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -24.313 42.898 -12.433 1.00 0.00 H new ATOM 0 HG LEU A 11 -26.028 43.117 -10.407 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -25.710 41.277 -8.800 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -26.531 40.728 -10.280 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -24.807 40.364 -10.032 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -24.087 43.131 -8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -23.119 42.292 -10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -23.722 43.938 -10.430 1.00 0.00 H new ATOM 138 N PRO A 12 -27.973 40.534 -12.821 1.00 0.00 N ATOM 139 CA PRO A 12 -29.090 39.757 -12.275 1.00 0.00 C ATOM 140 C PRO A 12 -28.704 38.996 -11.011 1.00 0.00 C ATOM 141 O PRO A 12 -27.529 38.733 -10.750 1.00 0.00 O ATOM 142 CB PRO A 12 -29.428 38.780 -13.404 1.00 0.00 C ATOM 143 CG PRO A 12 -28.162 38.641 -14.177 1.00 0.00 C ATOM 144 CD PRO A 12 -27.475 39.976 -14.090 1.00 0.00 C ATOM 0 HA PRO A 12 -29.924 40.394 -11.980 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -29.759 37.819 -13.010 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -30.234 39.162 -14.030 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -27.536 37.852 -13.761 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -28.365 38.374 -15.214 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -26.390 39.870 -14.084 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -27.728 40.614 -14.937 1.00 0.00 H new ATOM 152 N PRO A 13 -29.713 38.633 -10.206 1.00 0.00 N ATOM 153 CA PRO A 13 -29.503 37.897 -8.956 1.00 0.00 C ATOM 154 C PRO A 13 -29.051 36.461 -9.198 1.00 0.00 C ATOM 155 O PRO A 13 -29.873 35.557 -9.347 1.00 0.00 O ATOM 156 CB PRO A 13 -30.884 37.918 -8.296 1.00 0.00 C ATOM 157 CG PRO A 13 -31.842 38.073 -9.426 1.00 0.00 C ATOM 158 CD PRO A 13 -31.137 38.914 -10.454 1.00 0.00 C ATOM 0 HA PRO A 13 -28.717 38.344 -8.347 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -31.072 36.999 -7.741 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -30.971 38.741 -7.587 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -32.119 37.103 -9.839 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -32.763 38.553 -9.094 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -31.430 38.640 -11.467 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -31.365 39.973 -10.332 1.00 0.00 H new ATOM 166 N VAL A 14 -27.738 36.258 -9.237 1.00 0.00 N ATOM 167 CA VAL A 14 -27.176 34.931 -9.459 1.00 0.00 C ATOM 168 C VAL A 14 -26.385 34.458 -8.244 1.00 0.00 C ATOM 169 O VAL A 14 -25.217 34.808 -8.075 1.00 0.00 O ATOM 170 CB VAL A 14 -26.257 34.911 -10.695 1.00 0.00 C ATOM 171 CG1 VAL A 14 -25.644 33.531 -10.883 1.00 0.00 C ATOM 172 CG2 VAL A 14 -27.026 35.335 -11.937 1.00 0.00 C ATOM 0 H VAL A 14 -27.044 36.996 -9.118 1.00 0.00 H new ATOM 0 HA VAL A 14 -28.015 34.256 -9.628 1.00 0.00 H new ATOM 0 HB VAL A 14 -25.447 35.623 -10.536 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -24.998 33.536 -11.761 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -25.057 33.271 -10.002 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -26.437 32.796 -11.021 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -26.361 35.315 -12.801 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -27.857 34.649 -12.102 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -27.412 36.345 -11.799 1.00 0.00 H new ATOM 182 N LYS A 15 -27.030 33.659 -7.401 1.00 0.00 N ATOM 183 CA LYS A 15 -26.388 33.135 -6.201 1.00 0.00 C ATOM 184 C LYS A 15 -26.511 31.616 -6.137 1.00 0.00 C ATOM 185 O LYS A 15 -27.586 31.082 -5.866 1.00 0.00 O ATOM 186 CB LYS A 15 -27.010 33.760 -4.950 1.00 0.00 C ATOM 187 CG LYS A 15 -26.210 33.510 -3.683 1.00 0.00 C ATOM 188 CD LYS A 15 -25.078 34.512 -3.531 1.00 0.00 C ATOM 189 CE LYS A 15 -24.488 34.479 -2.130 1.00 0.00 C ATOM 190 NZ LYS A 15 -23.587 35.637 -1.879 1.00 0.00 N ATOM 0 H LYS A 15 -27.997 33.360 -7.527 1.00 0.00 H new ATOM 0 HA LYS A 15 -25.330 33.395 -6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -27.108 34.835 -5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -28.017 33.364 -4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -26.870 33.571 -2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -25.802 32.499 -3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -24.298 34.294 -4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -25.447 35.515 -3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -25.294 34.481 -1.397 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -23.933 33.551 -1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -23.206 35.577 -0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -22.803 35.622 -2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -24.122 36.523 -1.986 1.00 0.00 H new ATOM 204 N ALA A 16 -25.403 30.926 -6.388 1.00 0.00 N ATOM 205 CA ALA A 16 -25.387 29.469 -6.356 1.00 0.00 C ATOM 206 C ALA A 16 -24.843 28.955 -5.027 1.00 0.00 C ATOM 207 O ALA A 16 -23.808 29.408 -4.536 1.00 0.00 O ATOM 208 CB ALA A 16 -24.562 28.924 -7.512 1.00 0.00 C ATOM 0 H ALA A 16 -24.505 31.353 -6.616 1.00 0.00 H new ATOM 0 HA ALA A 16 -26.413 29.117 -6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -24.559 27.835 -7.475 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -24.996 29.254 -8.456 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -23.539 29.292 -7.434 1.00 0.00 H new ATOM 214 N PRO A 17 -25.554 27.988 -4.429 1.00 0.00 N ATOM 215 CA PRO A 17 -25.161 27.392 -3.149 1.00 0.00 C ATOM 216 C PRO A 17 -23.908 26.531 -3.271 1.00 0.00 C ATOM 217 O PRO A 17 -23.304 26.444 -4.341 1.00 0.00 O ATOM 218 CB PRO A 17 -26.368 26.529 -2.774 1.00 0.00 C ATOM 219 CG PRO A 17 -27.021 26.206 -4.073 1.00 0.00 C ATOM 220 CD PRO A 17 -26.797 27.401 -4.958 1.00 0.00 C ATOM 0 HA PRO A 17 -24.914 28.150 -2.405 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -26.060 25.624 -2.250 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -27.048 27.065 -2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -26.589 25.308 -4.514 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -28.086 26.015 -3.938 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -26.692 27.113 -6.004 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -27.629 28.104 -4.903 1.00 0.00 H new ATOM 228 N LEU A 18 -23.523 25.896 -2.169 1.00 0.00 N ATOM 229 CA LEU A 18 -22.341 25.041 -2.153 1.00 0.00 C ATOM 230 C LEU A 18 -22.687 23.645 -1.643 1.00 0.00 C ATOM 231 O LEU A 18 -23.710 23.450 -0.987 1.00 0.00 O ATOM 232 CB LEU A 18 -21.251 25.661 -1.277 1.00 0.00 C ATOM 233 CG LEU A 18 -21.448 25.531 0.234 1.00 0.00 C ATOM 234 CD1 LEU A 18 -20.953 24.178 0.722 1.00 0.00 C ATOM 235 CD2 LEU A 18 -20.733 26.658 0.964 1.00 0.00 C ATOM 0 H LEU A 18 -24.012 25.957 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 18 -21.971 24.954 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -20.298 25.202 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -21.174 26.720 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 18 -22.514 25.604 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -21.101 24.103 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -21.510 23.385 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -19.892 24.075 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.884 26.549 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.667 26.617 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -21.135 27.617 0.636 1.00 0.00 H new ATOM 247 N GLN A 19 -21.825 22.680 -1.947 1.00 0.00 N ATOM 248 CA GLN A 19 -22.039 21.303 -1.517 1.00 0.00 C ATOM 249 C GLN A 19 -20.958 20.865 -0.535 1.00 0.00 C ATOM 250 O GLN A 19 -19.854 21.411 -0.526 1.00 0.00 O ATOM 251 CB GLN A 19 -22.057 20.366 -2.727 1.00 0.00 C ATOM 252 CG GLN A 19 -23.422 20.247 -3.384 1.00 0.00 C ATOM 253 CD GLN A 19 -23.408 19.341 -4.599 1.00 0.00 C ATOM 254 OE1 GLN A 19 -22.833 19.680 -5.634 1.00 0.00 O ATOM 255 NE2 GLN A 19 -24.042 18.180 -4.480 1.00 0.00 N ATOM 0 H GLN A 19 -20.973 22.826 -2.489 1.00 0.00 H new ATOM 0 HA GLN A 19 -23.004 21.252 -1.012 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -21.338 20.724 -3.464 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -21.726 19.376 -2.414 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -24.138 19.863 -2.658 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -23.767 21.238 -3.679 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -24.505 17.939 -3.604 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -24.066 17.529 -5.265 1.00 0.00 H new ATOM 264 N THR A 20 -21.281 19.875 0.291 1.00 0.00 N ATOM 265 CA THR A 20 -20.339 19.364 1.278 1.00 0.00 C ATOM 266 C THR A 20 -20.264 17.843 1.231 1.00 0.00 C ATOM 267 O THR A 20 -21.140 17.151 1.750 1.00 0.00 O ATOM 268 CB THR A 20 -20.724 19.804 2.703 1.00 0.00 C ATOM 269 OG1 THR A 20 -22.050 19.360 3.012 1.00 0.00 O ATOM 270 CG2 THR A 20 -20.646 21.317 2.843 1.00 0.00 C ATOM 0 H THR A 20 -22.189 19.411 0.296 1.00 0.00 H new ATOM 0 HA THR A 20 -19.363 19.781 1.028 1.00 0.00 H new ATOM 0 HB THR A 20 -20.018 19.353 3.401 1.00 0.00 H new ATOM 0 HG1 THR A 20 -22.181 18.454 2.662 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.922 21.603 3.858 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.629 21.650 2.636 1.00 0.00 H new ATOM 0 HG23 THR A 20 -21.331 21.784 2.135 1.00 0.00 H new ATOM 278 N LYS A 21 -19.211 17.326 0.606 1.00 0.00 N ATOM 279 CA LYS A 21 -19.020 15.885 0.492 1.00 0.00 C ATOM 280 C LYS A 21 -17.629 15.561 -0.044 1.00 0.00 C ATOM 281 O LYS A 21 -17.074 16.307 -0.852 1.00 0.00 O ATOM 282 CB LYS A 21 -20.085 15.279 -0.425 1.00 0.00 C ATOM 283 CG LYS A 21 -19.935 15.685 -1.881 1.00 0.00 C ATOM 284 CD LYS A 21 -20.611 14.690 -2.810 1.00 0.00 C ATOM 285 CE LYS A 21 -22.110 14.933 -2.891 1.00 0.00 C ATOM 286 NZ LYS A 21 -22.812 13.834 -3.612 1.00 0.00 N ATOM 0 H LYS A 21 -18.477 17.884 0.171 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.117 15.451 1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.039 14.192 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.071 15.581 -0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.367 16.675 -2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -18.877 15.758 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -20.175 14.766 -3.806 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.424 13.676 -2.457 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.518 15.026 -1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.298 15.879 -3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -23.831 14.037 -3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.441 13.762 -4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -22.654 12.935 -3.113 1.00 0.00 H new ATOM 300 N LYS A 22 -17.070 14.445 0.411 1.00 0.00 N ATOM 301 CA LYS A 22 -15.745 14.020 -0.024 1.00 0.00 C ATOM 302 C LYS A 22 -15.598 12.505 0.079 1.00 0.00 C ATOM 303 O LYS A 22 -15.847 11.917 1.131 1.00 0.00 O ATOM 304 CB LYS A 22 -14.665 14.706 0.816 1.00 0.00 C ATOM 305 CG LYS A 22 -14.155 16.002 0.210 1.00 0.00 C ATOM 306 CD LYS A 22 -12.971 15.759 -0.710 1.00 0.00 C ATOM 307 CE LYS A 22 -12.167 17.031 -0.932 1.00 0.00 C ATOM 308 NZ LYS A 22 -12.748 17.873 -2.013 1.00 0.00 N ATOM 0 H LYS A 22 -17.515 13.818 1.082 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.623 14.309 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.065 14.912 1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.827 14.021 0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.958 16.484 -0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.864 16.687 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.327 14.991 -0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.325 15.379 -1.668 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.131 17.604 -0.005 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.139 16.771 -1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.171 18.730 -2.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.759 17.336 -2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.720 18.142 -1.759 1.00 0.00 H new ATOM 322 N LYS A 23 -15.190 11.879 -1.020 1.00 0.00 N ATOM 323 CA LYS A 23 -15.006 10.433 -1.053 1.00 0.00 C ATOM 324 C LYS A 23 -13.565 10.075 -1.402 1.00 0.00 C ATOM 325 O LYS A 23 -13.076 10.414 -2.480 1.00 0.00 O ATOM 326 CB LYS A 23 -15.960 9.801 -2.069 1.00 0.00 C ATOM 327 CG LYS A 23 -17.428 10.008 -1.737 1.00 0.00 C ATOM 328 CD LYS A 23 -18.297 8.921 -2.346 1.00 0.00 C ATOM 329 CE LYS A 23 -19.776 9.206 -2.136 1.00 0.00 C ATOM 330 NZ LYS A 23 -20.637 8.207 -2.827 1.00 0.00 N ATOM 0 H LYS A 23 -14.980 12.351 -1.900 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.229 10.041 -0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.757 10.220 -3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.757 8.732 -2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.559 10.016 -0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -17.751 10.982 -2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.089 8.842 -3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -18.044 7.959 -1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -19.999 9.201 -1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.010 10.204 -2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.638 8.436 -2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.443 8.229 -3.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.433 7.257 -2.456 1.00 0.00 H new ATOM 344 N ILE A 24 -12.892 9.389 -0.485 1.00 0.00 N ATOM 345 CA ILE A 24 -11.508 8.984 -0.698 1.00 0.00 C ATOM 346 C ILE A 24 -11.271 8.580 -2.149 1.00 0.00 C ATOM 347 O ILE A 24 -11.904 7.655 -2.658 1.00 0.00 O ATOM 348 CB ILE A 24 -11.118 7.811 0.220 1.00 0.00 C ATOM 349 CG1 ILE A 24 -11.282 8.208 1.689 1.00 0.00 C ATOM 350 CG2 ILE A 24 -9.688 7.373 -0.059 1.00 0.00 C ATOM 351 CD1 ILE A 24 -10.322 9.289 2.133 1.00 0.00 C ATOM 0 H ILE A 24 -13.282 9.102 0.413 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.886 9.846 -0.457 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.782 6.971 0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.304 8.551 1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.138 7.326 2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.427 6.543 0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.601 7.055 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.010 8.207 0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.495 9.520 3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.297 8.942 2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.481 10.185 1.534 1.00 0.00 H new ATOM 363 N MET A 25 -10.353 9.278 -2.810 1.00 0.00 N ATOM 364 CA MET A 25 -10.030 8.990 -4.202 1.00 0.00 C ATOM 365 C MET A 25 -8.524 8.838 -4.390 1.00 0.00 C ATOM 366 O MET A 25 -7.794 9.828 -4.461 1.00 0.00 O ATOM 367 CB MET A 25 -10.560 10.100 -5.112 1.00 0.00 C ATOM 368 CG MET A 25 -10.315 11.499 -4.570 1.00 0.00 C ATOM 369 SD MET A 25 -11.183 12.770 -5.509 1.00 0.00 S ATOM 370 CE MET A 25 -9.907 13.267 -6.664 1.00 0.00 C ATOM 0 H MET A 25 -9.820 10.047 -2.404 1.00 0.00 H new ATOM 0 HA MET A 25 -10.509 8.049 -4.473 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.090 10.011 -6.091 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.631 9.958 -5.258 1.00 0.00 H new ATOM 0 HG2 MET A 25 -10.633 11.542 -3.528 1.00 0.00 H new ATOM 0 HG3 MET A 25 -9.245 11.708 -4.586 1.00 0.00 H new ATOM 0 HE1 MET A 25 -10.292 14.051 -7.316 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.045 13.644 -6.114 1.00 0.00 H new ATOM 0 HE3 MET A 25 -9.607 12.409 -7.266 1.00 0.00 H new ATOM 380 N LYS A 26 -8.064 7.594 -4.470 1.00 0.00 N ATOM 381 CA LYS A 26 -6.645 7.313 -4.651 1.00 0.00 C ATOM 382 C LYS A 26 -6.429 6.304 -5.774 1.00 0.00 C ATOM 383 O LYS A 26 -7.378 5.686 -6.259 1.00 0.00 O ATOM 384 CB LYS A 26 -6.039 6.781 -3.350 1.00 0.00 C ATOM 385 CG LYS A 26 -6.915 5.759 -2.645 1.00 0.00 C ATOM 386 CD LYS A 26 -6.569 4.342 -3.068 1.00 0.00 C ATOM 387 CE LYS A 26 -7.378 3.315 -2.291 1.00 0.00 C ATOM 388 NZ LYS A 26 -6.915 3.197 -0.880 1.00 0.00 N ATOM 0 H LYS A 26 -8.654 6.764 -4.412 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.148 8.244 -4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.071 6.329 -3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.856 7.617 -2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.794 5.857 -1.566 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.963 5.961 -2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.757 4.223 -4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.505 4.164 -2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.431 3.596 -2.305 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.300 2.345 -2.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.421 2.418 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.893 3.004 -0.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.107 4.086 -0.376 1.00 0.00 H new ATOM 402 N HIS A 27 -5.175 6.139 -6.184 1.00 0.00 N ATOM 403 CA HIS A 27 -4.835 5.202 -7.249 1.00 0.00 C ATOM 404 C HIS A 27 -3.323 5.026 -7.355 1.00 0.00 C ATOM 405 O HIS A 27 -2.555 5.824 -6.817 1.00 0.00 O ATOM 406 CB HIS A 27 -5.399 5.689 -8.584 1.00 0.00 C ATOM 407 CG HIS A 27 -5.072 7.119 -8.887 1.00 0.00 C ATOM 408 ND1 HIS A 27 -5.561 8.176 -8.149 1.00 0.00 N ATOM 409 CD2 HIS A 27 -4.297 7.664 -9.853 1.00 0.00 C ATOM 410 CE1 HIS A 27 -5.104 9.309 -8.650 1.00 0.00 C ATOM 411 NE2 HIS A 27 -4.333 9.027 -9.685 1.00 0.00 N ATOM 0 H HIS A 27 -4.378 6.642 -5.795 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.279 4.237 -7.006 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.011 5.059 -9.384 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.482 5.566 -8.578 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.751 7.127 -10.615 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.323 10.298 -8.277 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.844 9.710 -10.265 1.00 0.00 H new ATOM 419 N CYS A 28 -2.903 3.976 -8.052 1.00 0.00 N ATOM 420 CA CYS A 28 -1.483 3.694 -8.229 1.00 0.00 C ATOM 421 C CYS A 28 -0.705 4.975 -8.516 1.00 0.00 C ATOM 422 O CYS A 28 -1.222 5.901 -9.141 1.00 0.00 O ATOM 423 CB CYS A 28 -1.279 2.694 -9.369 1.00 0.00 C ATOM 424 SG CYS A 28 0.468 2.305 -9.712 1.00 0.00 S ATOM 0 H CYS A 28 -3.525 3.306 -8.504 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.106 3.261 -7.302 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.805 1.771 -9.127 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.736 3.093 -10.275 1.00 0.00 H new ATOM 429 N PHE A 29 0.540 5.020 -8.055 1.00 0.00 N ATOM 430 CA PHE A 29 1.390 6.187 -8.261 1.00 0.00 C ATOM 431 C PHE A 29 2.256 6.016 -9.506 1.00 0.00 C ATOM 432 O PHE A 29 2.652 6.995 -10.140 1.00 0.00 O ATOM 433 CB PHE A 29 2.277 6.421 -7.037 1.00 0.00 C ATOM 434 CG PHE A 29 3.134 7.651 -7.144 1.00 0.00 C ATOM 435 CD1 PHE A 29 2.649 8.886 -6.744 1.00 0.00 C ATOM 436 CD2 PHE A 29 4.424 7.571 -7.643 1.00 0.00 C ATOM 437 CE1 PHE A 29 3.435 10.018 -6.842 1.00 0.00 C ATOM 438 CE2 PHE A 29 5.215 8.700 -7.742 1.00 0.00 C ATOM 439 CZ PHE A 29 4.720 9.925 -7.341 1.00 0.00 C ATOM 0 H PHE A 29 0.983 4.262 -7.536 1.00 0.00 H new ATOM 0 HA PHE A 29 0.745 7.054 -8.405 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.647 6.503 -6.152 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.919 5.552 -6.892 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.646 8.964 -6.351 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.816 6.615 -7.958 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.045 10.975 -6.529 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.219 8.624 -8.133 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.336 10.809 -7.417 1.00 0.00 H new ATOM 449 N LEU A 30 2.548 4.766 -9.849 1.00 0.00 N ATOM 450 CA LEU A 30 3.368 4.465 -11.017 1.00 0.00 C ATOM 451 C LEU A 30 2.637 4.830 -12.305 1.00 0.00 C ATOM 452 O LEU A 30 2.992 5.797 -12.980 1.00 0.00 O ATOM 453 CB LEU A 30 3.743 2.982 -11.033 1.00 0.00 C ATOM 454 CG LEU A 30 4.715 2.547 -12.130 1.00 0.00 C ATOM 455 CD1 LEU A 30 6.049 3.259 -11.975 1.00 0.00 C ATOM 456 CD2 LEU A 30 4.907 1.037 -12.105 1.00 0.00 C ATOM 0 H LEU A 30 2.229 3.945 -9.335 1.00 0.00 H new ATOM 0 HA LEU A 30 4.277 5.063 -10.955 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.179 2.728 -10.067 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.828 2.398 -11.133 1.00 0.00 H new ATOM 0 HG LEU A 30 4.290 2.823 -13.095 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.728 2.936 -12.765 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.897 4.336 -12.045 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.481 3.016 -11.004 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.602 0.745 -12.893 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.309 0.737 -11.137 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.948 0.546 -12.267 1.00 0.00 H new ATOM 468 N CYS A 31 1.613 4.052 -12.638 1.00 0.00 N ATOM 469 CA CYS A 31 0.829 4.294 -13.844 1.00 0.00 C ATOM 470 C CYS A 31 -0.377 5.179 -13.540 1.00 0.00 C ATOM 471 O CYS A 31 -0.636 6.155 -14.243 1.00 0.00 O ATOM 472 CB CYS A 31 0.363 2.968 -14.449 1.00 0.00 C ATOM 473 SG CYS A 31 -0.725 1.995 -13.359 1.00 0.00 S ATOM 0 H CYS A 31 1.306 3.248 -12.090 1.00 0.00 H new ATOM 0 HA CYS A 31 1.465 4.810 -14.563 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.163 3.171 -15.382 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.238 2.368 -14.701 1.00 0.00 H new ATOM 478 N GLY A 32 -1.110 4.830 -12.488 1.00 0.00 N ATOM 479 CA GLY A 32 -2.279 5.602 -12.109 1.00 0.00 C ATOM 480 C GLY A 32 -3.545 4.769 -12.097 1.00 0.00 C ATOM 481 O GLY A 32 -4.652 5.306 -12.147 1.00 0.00 O ATOM 0 H GLY A 32 -0.915 4.026 -11.891 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.121 6.032 -11.120 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.402 6.434 -12.803 1.00 0.00 H new ATOM 485 N LYS A 33 -3.384 3.451 -12.031 1.00 0.00 N ATOM 486 CA LYS A 33 -4.522 2.541 -12.012 1.00 0.00 C ATOM 487 C LYS A 33 -5.401 2.793 -10.791 1.00 0.00 C ATOM 488 O LYS A 33 -4.907 2.905 -9.669 1.00 0.00 O ATOM 489 CB LYS A 33 -4.040 1.088 -12.014 1.00 0.00 C ATOM 490 CG LYS A 33 -5.133 0.084 -11.696 1.00 0.00 C ATOM 491 CD LYS A 33 -5.765 -0.473 -12.961 1.00 0.00 C ATOM 492 CE LYS A 33 -6.848 -1.492 -12.641 1.00 0.00 C ATOM 493 NZ LYS A 33 -7.983 -0.880 -11.896 1.00 0.00 N ATOM 0 H LYS A 33 -2.475 2.990 -11.990 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.115 2.723 -12.909 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.618 0.855 -12.992 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.236 0.980 -11.286 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.717 -0.733 -11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.899 0.561 -11.085 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.192 0.342 -13.545 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.997 -0.939 -13.578 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.217 -1.933 -13.567 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.421 -2.303 -12.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.770 -1.558 -11.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.674 -0.634 -10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.298 -0.020 -12.389 1.00 0.00 H new ATOM 507 N LYS A 34 -6.708 2.882 -11.017 1.00 0.00 N ATOM 508 CA LYS A 34 -7.657 3.118 -9.935 1.00 0.00 C ATOM 509 C LYS A 34 -7.733 1.913 -9.004 1.00 0.00 C ATOM 510 O LYS A 34 -8.321 0.886 -9.346 1.00 0.00 O ATOM 511 CB LYS A 34 -9.044 3.424 -10.505 1.00 0.00 C ATOM 512 CG LYS A 34 -9.296 4.905 -10.732 1.00 0.00 C ATOM 513 CD LYS A 34 -9.674 5.611 -9.441 1.00 0.00 C ATOM 514 CE LYS A 34 -11.179 5.602 -9.221 1.00 0.00 C ATOM 515 NZ LYS A 34 -11.676 4.250 -8.843 1.00 0.00 N ATOM 0 H LYS A 34 -7.134 2.794 -11.940 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.309 3.976 -9.360 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.164 2.895 -11.450 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.801 3.036 -9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.402 5.367 -11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.094 5.031 -11.464 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.179 5.124 -8.601 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.315 6.640 -9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.436 6.315 -8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.681 5.932 -10.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.571 4.342 -8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.833 3.685 -9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.972 3.777 -8.241 1.00 0.00 H new ATOM 529 N THR A 35 -7.135 2.044 -7.824 1.00 0.00 N ATOM 530 CA THR A 35 -7.135 0.965 -6.843 1.00 0.00 C ATOM 531 C THR A 35 -8.220 1.177 -5.793 1.00 0.00 C ATOM 532 O THR A 35 -9.013 2.113 -5.886 1.00 0.00 O ATOM 533 CB THR A 35 -5.770 0.847 -6.139 1.00 0.00 C ATOM 534 OG1 THR A 35 -5.440 2.085 -5.499 1.00 0.00 O ATOM 535 CG2 THR A 35 -4.679 0.477 -7.132 1.00 0.00 C ATOM 0 H THR A 35 -6.644 2.887 -7.524 1.00 0.00 H new ATOM 0 HA THR A 35 -7.336 0.042 -7.387 1.00 0.00 H new ATOM 0 HB THR A 35 -5.840 0.058 -5.390 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.939 1.905 -4.676 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.724 0.399 -6.612 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.918 -0.480 -7.596 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.611 1.246 -7.901 1.00 0.00 H new ATOM 543 N GLY A 36 -8.248 0.301 -4.793 1.00 0.00 N ATOM 544 CA GLY A 36 -9.240 0.411 -3.739 1.00 0.00 C ATOM 545 C GLY A 36 -8.825 -0.316 -2.475 1.00 0.00 C ATOM 546 O GLY A 36 -7.671 -0.724 -2.335 1.00 0.00 O ATOM 0 H GLY A 36 -7.602 -0.482 -4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.408 1.463 -3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.188 0.006 -4.093 1.00 0.00 H new ATOM 550 N LEU A 37 -9.766 -0.477 -1.552 1.00 0.00 N ATOM 551 CA LEU A 37 -9.492 -1.159 -0.291 1.00 0.00 C ATOM 552 C LEU A 37 -8.574 -2.357 -0.508 1.00 0.00 C ATOM 553 O LEU A 37 -7.544 -2.490 0.152 1.00 0.00 O ATOM 554 CB LEU A 37 -10.800 -1.614 0.359 1.00 0.00 C ATOM 555 CG LEU A 37 -10.684 -2.175 1.777 1.00 0.00 C ATOM 556 CD1 LEU A 37 -10.626 -1.046 2.794 1.00 0.00 C ATOM 557 CD2 LEU A 37 -11.848 -3.107 2.079 1.00 0.00 C ATOM 0 H LEU A 37 -10.725 -0.145 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.989 -0.456 0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.486 -0.767 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.252 -2.376 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.759 -2.747 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.544 -1.464 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.759 -0.417 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.534 -0.446 2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.749 -3.497 3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.786 -2.558 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.845 -3.935 1.370 1.00 0.00 H new ATOM 569 N ALA A 38 -8.954 -3.226 -1.439 1.00 0.00 N ATOM 570 CA ALA A 38 -8.163 -4.411 -1.747 1.00 0.00 C ATOM 571 C ALA A 38 -7.155 -4.126 -2.854 1.00 0.00 C ATOM 572 O ALA A 38 -5.945 -4.125 -2.622 1.00 0.00 O ATOM 573 CB ALA A 38 -9.073 -5.565 -2.143 1.00 0.00 C ATOM 0 H ALA A 38 -9.805 -3.131 -1.993 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.609 -4.690 -0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.469 -6.443 -2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.750 -5.793 -1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.653 -5.286 -3.023 1.00 0.00 H new ATOM 579 N THR A 39 -7.659 -3.885 -4.060 1.00 0.00 N ATOM 580 CA THR A 39 -6.802 -3.600 -5.204 1.00 0.00 C ATOM 581 C THR A 39 -5.592 -2.770 -4.792 1.00 0.00 C ATOM 582 O THR A 39 -4.474 -3.020 -5.240 1.00 0.00 O ATOM 583 CB THR A 39 -7.571 -2.852 -6.310 1.00 0.00 C ATOM 584 OG1 THR A 39 -8.936 -3.285 -6.336 1.00 0.00 O ATOM 585 CG2 THR A 39 -6.932 -3.091 -7.669 1.00 0.00 C ATOM 0 H THR A 39 -8.657 -3.882 -4.270 1.00 0.00 H new ATOM 0 HA THR A 39 -6.464 -4.561 -5.592 1.00 0.00 H new ATOM 0 HB THR A 39 -7.533 -1.785 -6.091 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.418 -2.804 -7.040 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.492 -2.553 -8.434 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.902 -2.734 -7.655 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.943 -4.158 -7.894 1.00 0.00 H new ATOM 593 N SER A 40 -5.824 -1.781 -3.934 1.00 0.00 N ATOM 594 CA SER A 40 -4.752 -0.911 -3.463 1.00 0.00 C ATOM 595 C SER A 40 -3.874 -1.633 -2.446 1.00 0.00 C ATOM 596 O SER A 40 -4.373 -2.327 -1.560 1.00 0.00 O ATOM 597 CB SER A 40 -5.334 0.360 -2.841 1.00 0.00 C ATOM 598 OG SER A 40 -4.398 1.422 -2.880 1.00 0.00 O ATOM 0 H SER A 40 -6.744 -1.562 -3.551 1.00 0.00 H new ATOM 0 HA SER A 40 -4.136 -0.638 -4.320 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.239 0.649 -3.376 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.623 0.164 -1.809 1.00 0.00 H new ATOM 0 HG SER A 40 -3.596 1.134 -3.364 1.00 0.00 H new ATOM 604 N PHE A 41 -2.563 -1.464 -2.580 1.00 0.00 N ATOM 605 CA PHE A 41 -1.613 -2.099 -1.674 1.00 0.00 C ATOM 606 C PHE A 41 -0.602 -1.085 -1.147 1.00 0.00 C ATOM 607 O PHE A 41 -0.606 0.077 -1.551 1.00 0.00 O ATOM 608 CB PHE A 41 -0.884 -3.242 -2.384 1.00 0.00 C ATOM 609 CG PHE A 41 -1.797 -4.348 -2.832 1.00 0.00 C ATOM 610 CD1 PHE A 41 -2.404 -4.301 -4.077 1.00 0.00 C ATOM 611 CD2 PHE A 41 -2.047 -5.434 -2.009 1.00 0.00 C ATOM 612 CE1 PHE A 41 -3.244 -5.317 -4.491 1.00 0.00 C ATOM 613 CE2 PHE A 41 -2.886 -6.453 -2.419 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.485 -6.395 -3.662 1.00 0.00 C ATOM 0 H PHE A 41 -2.134 -0.892 -3.308 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.170 -2.503 -0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.357 -2.843 -3.251 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.130 -3.653 -1.713 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.219 -3.461 -4.731 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.581 -5.485 -1.036 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.712 -5.268 -5.463 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.073 -7.294 -1.768 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.140 -7.191 -3.985 1.00 0.00 H new ATOM 624 N GLU A 42 0.263 -1.536 -0.243 1.00 0.00 N ATOM 625 CA GLU A 42 1.279 -0.667 0.340 1.00 0.00 C ATOM 626 C GLU A 42 2.678 -1.230 0.101 1.00 0.00 C ATOM 627 O GLU A 42 2.886 -2.443 0.142 1.00 0.00 O ATOM 628 CB GLU A 42 1.036 -0.496 1.840 1.00 0.00 C ATOM 629 CG GLU A 42 1.348 -1.741 2.654 1.00 0.00 C ATOM 630 CD GLU A 42 0.199 -2.731 2.669 1.00 0.00 C ATOM 631 OE1 GLU A 42 0.060 -3.492 1.689 1.00 0.00 O ATOM 632 OE2 GLU A 42 -0.560 -2.744 3.660 1.00 0.00 O ATOM 0 H GLU A 42 0.280 -2.496 0.101 1.00 0.00 H new ATOM 0 HA GLU A 42 1.210 0.307 -0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.646 0.330 2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.006 -0.218 2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.235 -2.225 2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.586 -1.451 3.677 1.00 0.00 H new ATOM 639 N CYS A 43 3.632 -0.340 -0.149 1.00 0.00 N ATOM 640 CA CYS A 43 5.011 -0.746 -0.395 1.00 0.00 C ATOM 641 C CYS A 43 5.931 -0.247 0.715 1.00 0.00 C ATOM 642 O CYS A 43 5.587 0.675 1.453 1.00 0.00 O ATOM 643 CB CYS A 43 5.488 -0.212 -1.747 1.00 0.00 C ATOM 644 SG CYS A 43 7.171 -0.738 -2.203 1.00 0.00 S ATOM 0 H CYS A 43 3.476 0.667 -0.187 1.00 0.00 H new ATOM 0 HA CYS A 43 5.046 -1.835 -0.409 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.794 -0.541 -2.521 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.452 0.877 -1.728 1.00 0.00 H new ATOM 649 N ARG A 44 7.103 -0.864 0.826 1.00 0.00 N ATOM 650 CA ARG A 44 8.073 -0.484 1.846 1.00 0.00 C ATOM 651 C ARG A 44 8.236 1.032 1.903 1.00 0.00 C ATOM 652 O ARG A 44 8.439 1.606 2.974 1.00 0.00 O ATOM 653 CB ARG A 44 9.425 -1.143 1.565 1.00 0.00 C ATOM 654 CG ARG A 44 9.411 -2.654 1.724 1.00 0.00 C ATOM 655 CD ARG A 44 9.765 -3.069 3.143 1.00 0.00 C ATOM 656 NE ARG A 44 8.677 -2.801 4.080 1.00 0.00 N ATOM 657 CZ ARG A 44 7.574 -3.537 4.155 1.00 0.00 C ATOM 658 NH1 ARG A 44 7.414 -4.581 3.353 1.00 0.00 N ATOM 659 NH2 ARG A 44 6.628 -3.230 5.033 1.00 0.00 N ATOM 0 H ARG A 44 7.404 -1.629 0.222 1.00 0.00 H new ATOM 0 HA ARG A 44 7.702 -0.829 2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.736 -0.896 0.550 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.172 -0.722 2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.424 -3.039 1.467 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.119 -3.101 1.026 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.005 -4.132 3.160 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.660 -2.535 3.464 1.00 0.00 H new ATOM 0 HE ARG A 44 8.769 -2.005 4.711 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.139 -4.820 2.677 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.566 -5.145 3.413 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.747 -2.428 5.652 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.781 -3.796 5.089 1.00 0.00 H new ATOM 673 N CYS A 45 8.146 1.676 0.744 1.00 0.00 N ATOM 674 CA CYS A 45 8.284 3.125 0.661 1.00 0.00 C ATOM 675 C CYS A 45 7.011 3.820 1.133 1.00 0.00 C ATOM 676 O CYS A 45 7.062 4.898 1.724 1.00 0.00 O ATOM 677 CB CYS A 45 8.606 3.545 -0.775 1.00 0.00 C ATOM 678 SG CYS A 45 7.291 3.160 -1.975 1.00 0.00 S ATOM 0 H CYS A 45 7.978 1.217 -0.151 1.00 0.00 H new ATOM 0 HA CYS A 45 9.104 3.426 1.313 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.798 4.618 -0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 45 9.526 3.051 -1.089 1.00 0.00 H new ATOM 683 N GLY A 46 5.867 3.195 0.867 1.00 0.00 N ATOM 684 CA GLY A 46 4.597 3.768 1.272 1.00 0.00 C ATOM 685 C GLY A 46 3.692 4.064 0.092 1.00 0.00 C ATOM 686 O GLY A 46 2.480 3.868 0.166 1.00 0.00 O ATOM 0 H GLY A 46 5.798 2.302 0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.091 3.081 1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.778 4.688 1.827 1.00 0.00 H new ATOM 690 N ASN A 47 4.283 4.538 -1.000 1.00 0.00 N ATOM 691 CA ASN A 47 3.521 4.864 -2.201 1.00 0.00 C ATOM 692 C ASN A 47 2.547 3.743 -2.547 1.00 0.00 C ATOM 693 O ASN A 47 2.861 2.563 -2.393 1.00 0.00 O ATOM 694 CB ASN A 47 4.467 5.115 -3.377 1.00 0.00 C ATOM 695 CG ASN A 47 5.255 6.401 -3.221 1.00 0.00 C ATOM 696 OD1 ASN A 47 4.717 7.424 -2.800 1.00 0.00 O ATOM 697 ND2 ASN A 47 6.538 6.353 -3.562 1.00 0.00 N ATOM 0 H ASN A 47 5.286 4.705 -1.078 1.00 0.00 H new ATOM 0 HA ASN A 47 2.949 5.770 -2.004 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.158 4.277 -3.469 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.891 5.155 -4.301 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.119 7.187 -3.479 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.942 5.482 -3.907 1.00 0.00 H new ATOM 704 N ASN A 48 1.362 4.120 -3.017 1.00 0.00 N ATOM 705 CA ASN A 48 0.341 3.146 -3.386 1.00 0.00 C ATOM 706 C ASN A 48 0.465 2.758 -4.856 1.00 0.00 C ATOM 707 O ASN A 48 0.511 3.619 -5.735 1.00 0.00 O ATOM 708 CB ASN A 48 -1.055 3.711 -3.113 1.00 0.00 C ATOM 709 CG ASN A 48 -2.121 3.061 -3.973 1.00 0.00 C ATOM 710 OD1 ASN A 48 -2.166 1.839 -4.107 1.00 0.00 O ATOM 711 ND2 ASN A 48 -2.984 3.880 -4.563 1.00 0.00 N ATOM 0 H ASN A 48 1.085 5.093 -3.151 1.00 0.00 H new ATOM 0 HA ASN A 48 0.490 2.253 -2.779 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.303 3.567 -2.061 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.051 4.786 -3.295 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.723 3.502 -5.156 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.908 4.888 -4.423 1.00 0.00 H new ATOM 718 N PHE A 49 0.518 1.456 -5.116 1.00 0.00 N ATOM 719 CA PHE A 49 0.637 0.953 -6.480 1.00 0.00 C ATOM 720 C PHE A 49 -0.428 -0.101 -6.766 1.00 0.00 C ATOM 721 O PHE A 49 -1.081 -0.605 -5.851 1.00 0.00 O ATOM 722 CB PHE A 49 2.030 0.361 -6.708 1.00 0.00 C ATOM 723 CG PHE A 49 3.140 1.359 -6.541 1.00 0.00 C ATOM 724 CD1 PHE A 49 3.344 2.352 -7.486 1.00 0.00 C ATOM 725 CD2 PHE A 49 3.979 1.304 -5.440 1.00 0.00 C ATOM 726 CE1 PHE A 49 4.364 3.272 -7.335 1.00 0.00 C ATOM 727 CE2 PHE A 49 5.001 2.222 -5.284 1.00 0.00 C ATOM 728 CZ PHE A 49 5.194 3.206 -6.233 1.00 0.00 C ATOM 0 H PHE A 49 0.480 0.730 -4.401 1.00 0.00 H new ATOM 0 HA PHE A 49 0.488 1.789 -7.163 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.185 -0.463 -6.011 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.078 -0.059 -7.713 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.699 2.407 -8.350 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.833 0.536 -4.695 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.512 4.042 -8.078 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.648 2.169 -4.421 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.993 3.923 -6.114 1.00 0.00 H new ATOM 738 N CYS A 50 -0.600 -0.430 -8.042 1.00 0.00 N ATOM 739 CA CYS A 50 -1.586 -1.422 -8.451 1.00 0.00 C ATOM 740 C CYS A 50 -1.075 -2.836 -8.191 1.00 0.00 C ATOM 741 O CYS A 50 0.124 -3.051 -8.013 1.00 0.00 O ATOM 742 CB CYS A 50 -1.925 -1.255 -9.933 1.00 0.00 C ATOM 743 SG CYS A 50 -0.472 -1.245 -11.031 1.00 0.00 S ATOM 0 H CYS A 50 -0.068 -0.023 -8.811 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.488 -1.266 -7.859 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.590 -2.063 -10.236 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.474 -0.323 -10.066 1.00 0.00 H new ATOM 748 N ALA A 51 -1.993 -3.797 -8.172 1.00 0.00 N ATOM 749 CA ALA A 51 -1.635 -5.191 -7.937 1.00 0.00 C ATOM 750 C ALA A 51 -0.477 -5.619 -8.833 1.00 0.00 C ATOM 751 O ALA A 51 0.276 -6.533 -8.496 1.00 0.00 O ATOM 752 CB ALA A 51 -2.841 -6.091 -8.164 1.00 0.00 C ATOM 0 H ALA A 51 -2.990 -3.636 -8.316 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.313 -5.288 -6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.559 -7.129 -7.985 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.640 -5.808 -7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.189 -5.981 -9.191 1.00 0.00 H new ATOM 758 N SER A 52 -0.341 -4.953 -9.975 1.00 0.00 N ATOM 759 CA SER A 52 0.723 -5.268 -10.921 1.00 0.00 C ATOM 760 C SER A 52 2.028 -4.588 -10.518 1.00 0.00 C ATOM 761 O SER A 52 3.114 -5.129 -10.728 1.00 0.00 O ATOM 762 CB SER A 52 0.324 -4.834 -12.333 1.00 0.00 C ATOM 763 OG SER A 52 1.122 -5.479 -13.310 1.00 0.00 O ATOM 0 H SER A 52 -0.954 -4.192 -10.268 1.00 0.00 H new ATOM 0 HA SER A 52 0.877 -6.347 -10.910 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.727 -5.068 -12.505 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.430 -3.753 -12.428 1.00 0.00 H new ATOM 0 HG SER A 52 0.846 -5.186 -14.203 1.00 0.00 H new ATOM 769 N HIS A 53 1.913 -3.398 -9.937 1.00 0.00 N ATOM 770 CA HIS A 53 3.083 -2.643 -9.503 1.00 0.00 C ATOM 771 C HIS A 53 3.149 -2.571 -7.981 1.00 0.00 C ATOM 772 O HIS A 53 3.838 -1.719 -7.419 1.00 0.00 O ATOM 773 CB HIS A 53 3.052 -1.232 -10.091 1.00 0.00 C ATOM 774 CG HIS A 53 2.912 -1.207 -11.582 1.00 0.00 C ATOM 775 ND1 HIS A 53 2.287 -0.184 -12.263 1.00 0.00 N ATOM 776 CD2 HIS A 53 3.323 -2.087 -12.525 1.00 0.00 C ATOM 777 CE1 HIS A 53 2.317 -0.436 -13.559 1.00 0.00 C ATOM 778 NE2 HIS A 53 2.941 -1.586 -13.745 1.00 0.00 N ATOM 0 H HIS A 53 1.022 -2.936 -9.756 1.00 0.00 H new ATOM 0 HA HIS A 53 3.973 -3.160 -9.864 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.223 -0.681 -9.647 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.968 -0.711 -9.812 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.853 -3.012 -12.350 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.902 0.191 -14.335 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.111 -2.029 -14.648 1.00 0.00 H new ATOM 786 N ARG A 54 2.427 -3.469 -7.319 1.00 0.00 N ATOM 787 CA ARG A 54 2.402 -3.506 -5.862 1.00 0.00 C ATOM 788 C ARG A 54 3.766 -3.902 -5.304 1.00 0.00 C ATOM 789 O ARG A 54 4.129 -3.518 -4.192 1.00 0.00 O ATOM 790 CB ARG A 54 1.335 -4.488 -5.373 1.00 0.00 C ATOM 791 CG ARG A 54 1.744 -5.946 -5.503 1.00 0.00 C ATOM 792 CD ARG A 54 0.577 -6.879 -5.221 1.00 0.00 C ATOM 793 NE ARG A 54 1.025 -8.198 -4.783 1.00 0.00 N ATOM 794 CZ ARG A 54 0.197 -9.177 -4.434 1.00 0.00 C ATOM 795 NH1 ARG A 54 -1.114 -8.986 -4.473 1.00 0.00 N ATOM 796 NH2 ARG A 54 0.681 -10.350 -4.046 1.00 0.00 N ATOM 0 H ARG A 54 1.851 -4.181 -7.769 1.00 0.00 H new ATOM 0 HA ARG A 54 2.158 -2.506 -5.503 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.108 -4.275 -4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.417 -4.325 -5.938 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.124 -6.130 -6.508 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.558 -6.160 -4.810 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.061 -6.440 -4.454 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.030 -6.982 -6.120 1.00 0.00 H new ATOM 0 HE ARG A 54 2.028 -8.378 -4.743 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.490 -8.086 -4.771 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.747 -9.739 -4.205 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.689 -10.501 -4.015 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.045 -11.101 -3.778 1.00 0.00 H new ATOM 810 N TYR A 55 4.517 -4.671 -6.084 1.00 0.00 N ATOM 811 CA TYR A 55 5.840 -5.121 -5.668 1.00 0.00 C ATOM 812 C TYR A 55 6.883 -4.031 -5.895 1.00 0.00 C ATOM 813 O TYR A 55 6.959 -3.444 -6.973 1.00 0.00 O ATOM 814 CB TYR A 55 6.235 -6.387 -6.431 1.00 0.00 C ATOM 815 CG TYR A 55 5.114 -7.394 -6.553 1.00 0.00 C ATOM 816 CD1 TYR A 55 4.918 -8.366 -5.580 1.00 0.00 C ATOM 817 CD2 TYR A 55 4.252 -7.375 -7.643 1.00 0.00 C ATOM 818 CE1 TYR A 55 3.896 -9.289 -5.688 1.00 0.00 C ATOM 819 CE2 TYR A 55 3.226 -8.294 -7.758 1.00 0.00 C ATOM 820 CZ TYR A 55 3.053 -9.249 -6.778 1.00 0.00 C ATOM 821 OH TYR A 55 2.033 -10.166 -6.890 1.00 0.00 O ATOM 0 H TYR A 55 4.232 -4.996 -7.008 1.00 0.00 H new ATOM 0 HA TYR A 55 5.801 -5.345 -4.602 1.00 0.00 H new ATOM 0 HB2 TYR A 55 6.573 -6.109 -7.429 1.00 0.00 H new ATOM 0 HB3 TYR A 55 7.080 -6.856 -5.927 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.576 -8.401 -4.724 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.386 -6.630 -8.413 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.758 -10.038 -4.922 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.564 -8.264 -8.610 1.00 0.00 H new ATOM 0 HH TYR A 55 1.532 -9.999 -7.715 1.00 0.00 H new ATOM 831 N ALA A 56 7.686 -3.767 -4.869 1.00 0.00 N ATOM 832 CA ALA A 56 8.727 -2.750 -4.955 1.00 0.00 C ATOM 833 C ALA A 56 9.448 -2.816 -6.297 1.00 0.00 C ATOM 834 O ALA A 56 9.433 -1.857 -7.068 1.00 0.00 O ATOM 835 CB ALA A 56 9.718 -2.911 -3.812 1.00 0.00 C ATOM 0 H ALA A 56 7.635 -4.244 -3.969 1.00 0.00 H new ATOM 0 HA ALA A 56 8.253 -1.772 -4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.490 -2.145 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.196 -2.806 -2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.179 -3.897 -3.866 1.00 0.00 H new ATOM 841 N GLU A 57 10.080 -3.954 -6.569 1.00 0.00 N ATOM 842 CA GLU A 57 10.809 -4.142 -7.818 1.00 0.00 C ATOM 843 C GLU A 57 9.961 -3.715 -9.013 1.00 0.00 C ATOM 844 O GLU A 57 10.465 -3.118 -9.963 1.00 0.00 O ATOM 845 CB GLU A 57 11.229 -5.605 -7.973 1.00 0.00 C ATOM 846 CG GLU A 57 10.062 -6.579 -7.951 1.00 0.00 C ATOM 847 CD GLU A 57 10.511 -8.027 -7.931 1.00 0.00 C ATOM 848 OE1 GLU A 57 10.854 -8.527 -6.839 1.00 0.00 O ATOM 849 OE2 GLU A 57 10.519 -8.660 -9.007 1.00 0.00 O ATOM 0 H GLU A 57 10.102 -4.758 -5.942 1.00 0.00 H new ATOM 0 HA GLU A 57 11.701 -3.517 -7.786 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.771 -5.721 -8.912 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.921 -5.862 -7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.445 -6.382 -7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.435 -6.409 -8.826 1.00 0.00 H new ATOM 856 N ALA A 58 8.670 -4.028 -8.956 1.00 0.00 N ATOM 857 CA ALA A 58 7.751 -3.676 -10.031 1.00 0.00 C ATOM 858 C ALA A 58 7.887 -2.205 -10.410 1.00 0.00 C ATOM 859 O ALA A 58 7.766 -1.841 -11.580 1.00 0.00 O ATOM 860 CB ALA A 58 6.319 -3.988 -9.625 1.00 0.00 C ATOM 0 H ALA A 58 8.238 -4.524 -8.177 1.00 0.00 H new ATOM 0 HA ALA A 58 8.007 -4.275 -10.905 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.644 -3.720 -10.438 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.225 -5.053 -9.411 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.060 -3.415 -8.734 1.00 0.00 H new ATOM 866 N HIS A 59 8.138 -1.363 -9.413 1.00 0.00 N ATOM 867 CA HIS A 59 8.290 0.070 -9.642 1.00 0.00 C ATOM 868 C HIS A 59 9.647 0.559 -9.145 1.00 0.00 C ATOM 869 O HIS A 59 9.765 1.664 -8.618 1.00 0.00 O ATOM 870 CB HIS A 59 7.170 0.841 -8.943 1.00 0.00 C ATOM 871 CG HIS A 59 7.224 0.752 -7.449 1.00 0.00 C ATOM 872 ND1 HIS A 59 6.449 -0.124 -6.718 1.00 0.00 N ATOM 873 CD2 HIS A 59 7.967 1.436 -6.548 1.00 0.00 C ATOM 874 CE1 HIS A 59 6.713 0.026 -5.433 1.00 0.00 C ATOM 875 NE2 HIS A 59 7.631 0.966 -5.302 1.00 0.00 N ATOM 0 H HIS A 59 8.240 -1.648 -8.439 1.00 0.00 H new ATOM 0 HA HIS A 59 8.230 0.250 -10.715 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.222 1.889 -9.238 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.208 0.460 -9.287 1.00 0.00 H new ATOM 0 HD1 HIS A 59 5.777 -0.784 -7.109 1.00 0.00 H new ATOM 0 HD2 HIS A 59 8.690 2.208 -6.768 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.256 -0.527 -4.626 1.00 0.00 H new ATOM 883 N GLY A 60 10.670 -0.274 -9.317 1.00 0.00 N ATOM 884 CA GLY A 60 12.005 0.091 -8.880 1.00 0.00 C ATOM 885 C GLY A 60 11.996 0.871 -7.580 1.00 0.00 C ATOM 886 O GLY A 60 12.564 1.960 -7.497 1.00 0.00 O ATOM 0 H GLY A 60 10.598 -1.194 -9.751 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.602 -0.812 -8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.487 0.687 -9.655 1.00 0.00 H new ATOM 890 N CYS A 61 11.349 0.314 -6.562 1.00 0.00 N ATOM 891 CA CYS A 61 11.266 0.964 -5.260 1.00 0.00 C ATOM 892 C CYS A 61 12.596 1.616 -4.892 1.00 0.00 C ATOM 893 O CYS A 61 13.663 1.108 -5.233 1.00 0.00 O ATOM 894 CB CYS A 61 10.868 -0.049 -4.185 1.00 0.00 C ATOM 895 SG CYS A 61 10.382 0.702 -2.598 1.00 0.00 S ATOM 0 H CYS A 61 10.874 -0.587 -6.614 1.00 0.00 H new ATOM 0 HA CYS A 61 10.504 1.741 -5.318 1.00 0.00 H new ATOM 0 HB2 CYS A 61 10.040 -0.652 -4.558 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.704 -0.727 -4.013 1.00 0.00 H new ATOM 900 N ASN A 62 12.523 2.744 -4.193 1.00 0.00 N ATOM 901 CA ASN A 62 13.720 3.466 -3.779 1.00 0.00 C ATOM 902 C ASN A 62 14.052 3.177 -2.318 1.00 0.00 C ATOM 903 O ASN A 62 15.212 2.969 -1.964 1.00 0.00 O ATOM 904 CB ASN A 62 13.530 4.971 -3.982 1.00 0.00 C ATOM 905 CG ASN A 62 12.833 5.294 -5.289 1.00 0.00 C ATOM 906 OD1 ASN A 62 11.618 5.491 -5.326 1.00 0.00 O ATOM 907 ND2 ASN A 62 13.600 5.349 -6.371 1.00 0.00 N ATOM 0 H ASN A 62 11.647 3.178 -3.901 1.00 0.00 H new ATOM 0 HA ASN A 62 14.551 3.125 -4.397 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.949 5.376 -3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 62 14.502 5.463 -3.960 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.187 5.561 -7.279 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.603 5.179 -6.294 1.00 0.00 H new ATOM 914 N TYR A 63 13.025 3.165 -1.476 1.00 0.00 N ATOM 915 CA TYR A 63 13.206 2.903 -0.053 1.00 0.00 C ATOM 916 C TYR A 63 14.264 1.826 0.172 1.00 0.00 C ATOM 917 O TYR A 63 14.380 0.881 -0.609 1.00 0.00 O ATOM 918 CB TYR A 63 11.882 2.473 0.581 1.00 0.00 C ATOM 919 CG TYR A 63 12.001 2.110 2.044 1.00 0.00 C ATOM 920 CD1 TYR A 63 12.037 3.096 3.024 1.00 0.00 C ATOM 921 CD2 TYR A 63 12.079 0.783 2.447 1.00 0.00 C ATOM 922 CE1 TYR A 63 12.146 2.769 4.362 1.00 0.00 C ATOM 923 CE2 TYR A 63 12.187 0.447 3.783 1.00 0.00 C ATOM 924 CZ TYR A 63 12.220 1.444 4.736 1.00 0.00 C ATOM 925 OH TYR A 63 12.329 1.113 6.067 1.00 0.00 O ATOM 0 H TYR A 63 12.058 3.334 -1.754 1.00 0.00 H new ATOM 0 HA TYR A 63 13.545 3.825 0.420 1.00 0.00 H new ATOM 0 HB2 TYR A 63 11.158 3.281 0.473 1.00 0.00 H new ATOM 0 HB3 TYR A 63 11.488 1.617 0.034 1.00 0.00 H new ATOM 0 HD1 TYR A 63 11.979 4.135 2.734 1.00 0.00 H new ATOM 0 HD2 TYR A 63 12.055 0.000 1.703 1.00 0.00 H new ATOM 0 HE1 TYR A 63 12.173 3.547 5.111 1.00 0.00 H new ATOM 0 HE2 TYR A 63 12.245 -0.590 4.079 1.00 0.00 H new ATOM 0 HH TYR A 63 12.369 0.138 6.159 1.00 0.00 H new ATOM 935 N ASP A 64 15.032 1.976 1.245 1.00 0.00 N ATOM 936 CA ASP A 64 16.079 1.016 1.576 1.00 0.00 C ATOM 937 C ASP A 64 15.545 -0.076 2.497 1.00 0.00 C ATOM 938 O ASP A 64 15.425 0.122 3.707 1.00 0.00 O ATOM 939 CB ASP A 64 17.261 1.727 2.238 1.00 0.00 C ATOM 940 CG ASP A 64 18.462 0.818 2.407 1.00 0.00 C ATOM 941 OD1 ASP A 64 19.218 0.646 1.428 1.00 0.00 O ATOM 942 OD2 ASP A 64 18.647 0.277 3.518 1.00 0.00 O ATOM 0 H ASP A 64 14.950 2.753 1.901 1.00 0.00 H new ATOM 0 HA ASP A 64 16.417 0.551 0.650 1.00 0.00 H new ATOM 0 HB2 ASP A 64 17.545 2.591 1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 64 16.954 2.104 3.214 1.00 0.00 H new ATOM 947 N TYR A 65 15.223 -1.227 1.918 1.00 0.00 N ATOM 948 CA TYR A 65 14.698 -2.349 2.686 1.00 0.00 C ATOM 949 C TYR A 65 15.737 -3.459 2.810 1.00 0.00 C ATOM 950 O TYR A 65 16.786 -3.418 2.167 1.00 0.00 O ATOM 951 CB TYR A 65 13.429 -2.895 2.028 1.00 0.00 C ATOM 952 CG TYR A 65 13.494 -2.921 0.518 1.00 0.00 C ATOM 953 CD1 TYR A 65 14.451 -3.680 -0.144 1.00 0.00 C ATOM 954 CD2 TYR A 65 12.596 -2.188 -0.248 1.00 0.00 C ATOM 955 CE1 TYR A 65 14.514 -3.706 -1.524 1.00 0.00 C ATOM 956 CE2 TYR A 65 12.650 -2.209 -1.628 1.00 0.00 C ATOM 957 CZ TYR A 65 13.611 -2.969 -2.261 1.00 0.00 C ATOM 958 OH TYR A 65 13.670 -2.994 -3.636 1.00 0.00 O ATOM 0 H TYR A 65 15.316 -1.407 0.918 1.00 0.00 H new ATOM 0 HA TYR A 65 14.456 -1.990 3.686 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.246 -3.906 2.393 1.00 0.00 H new ATOM 0 HB3 TYR A 65 12.579 -2.286 2.336 1.00 0.00 H new ATOM 0 HD1 TYR A 65 15.158 -4.260 0.430 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.842 -1.591 0.244 1.00 0.00 H new ATOM 0 HE1 TYR A 65 15.266 -4.300 -2.022 1.00 0.00 H new ATOM 0 HE2 TYR A 65 11.944 -1.634 -2.208 1.00 0.00 H new ATOM 0 HH TYR A 65 12.839 -2.629 -4.006 1.00 0.00 H new ATOM 968 N LYS A 66 15.439 -4.450 3.643 1.00 0.00 N ATOM 969 CA LYS A 66 16.344 -5.573 3.853 1.00 0.00 C ATOM 970 C LYS A 66 15.673 -6.667 4.677 1.00 0.00 C ATOM 971 O LYS A 66 15.216 -6.423 5.794 1.00 0.00 O ATOM 972 CB LYS A 66 17.620 -5.101 4.555 1.00 0.00 C ATOM 973 CG LYS A 66 18.623 -6.214 4.806 1.00 0.00 C ATOM 974 CD LYS A 66 20.047 -5.686 4.831 1.00 0.00 C ATOM 975 CE LYS A 66 21.054 -6.782 4.516 1.00 0.00 C ATOM 976 NZ LYS A 66 21.297 -7.666 5.689 1.00 0.00 N ATOM 0 H LYS A 66 14.576 -4.498 4.185 1.00 0.00 H new ATOM 0 HA LYS A 66 16.603 -5.985 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 66 18.092 -4.327 3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 66 17.353 -4.643 5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 66 18.398 -6.701 5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.529 -6.972 4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 66 20.149 -4.878 4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 66 20.262 -5.264 5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 66 20.691 -7.380 3.680 1.00 0.00 H new ATOM 0 HE3 LYS A 66 21.995 -6.331 4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.989 -8.399 5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.668 -7.100 6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.404 -8.117 5.975 1.00 0.00 H new ATOM 990 N SER A 67 15.618 -7.872 4.120 1.00 0.00 N ATOM 991 CA SER A 67 15.000 -9.003 4.803 1.00 0.00 C ATOM 992 C SER A 67 13.546 -8.699 5.150 1.00 0.00 C ATOM 993 O SER A 67 13.041 -9.130 6.186 1.00 0.00 O ATOM 994 CB SER A 67 15.780 -9.346 6.074 1.00 0.00 C ATOM 995 OG SER A 67 15.088 -10.306 6.853 1.00 0.00 O ATOM 0 H SER A 67 15.994 -8.091 3.197 1.00 0.00 H new ATOM 0 HA SER A 67 15.023 -9.860 4.130 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.765 -9.730 5.808 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.939 -8.442 6.662 1.00 0.00 H new ATOM 0 HG SER A 67 14.205 -9.956 7.096 1.00 0.00 H new ATOM 1001 N ALA A 68 12.879 -7.954 4.275 1.00 0.00 N ATOM 1002 CA ALA A 68 11.482 -7.593 4.487 1.00 0.00 C ATOM 1003 C ALA A 68 10.548 -8.633 3.877 1.00 0.00 C ATOM 1004 O ALA A 68 10.129 -8.506 2.728 1.00 0.00 O ATOM 1005 CB ALA A 68 11.198 -6.218 3.903 1.00 0.00 C ATOM 0 H ALA A 68 13.283 -7.589 3.413 1.00 0.00 H new ATOM 0 HA ALA A 68 11.299 -7.564 5.561 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.152 -5.961 4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.834 -5.478 4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.404 -6.228 2.833 1.00 0.00 H new ATOM 1011 N GLY A 69 10.227 -9.662 4.655 1.00 0.00 N ATOM 1012 CA GLY A 69 9.345 -10.709 4.174 1.00 0.00 C ATOM 1013 C GLY A 69 10.083 -12.001 3.885 1.00 0.00 C ATOM 1014 O GLY A 69 10.838 -12.493 4.723 1.00 0.00 O ATOM 0 H GLY A 69 10.562 -9.789 5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.569 -10.896 4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.844 -10.370 3.267 1.00 0.00 H new ATOM 1018 N ARG A 70 9.863 -12.553 2.696 1.00 0.00 N ATOM 1019 CA ARG A 70 10.511 -13.798 2.300 1.00 0.00 C ATOM 1020 C ARG A 70 11.908 -13.532 1.748 1.00 0.00 C ATOM 1021 O ARG A 70 12.237 -12.404 1.382 1.00 0.00 O ATOM 1022 CB ARG A 70 9.667 -14.526 1.252 1.00 0.00 C ATOM 1023 CG ARG A 70 8.578 -15.403 1.848 1.00 0.00 C ATOM 1024 CD ARG A 70 7.387 -15.526 0.911 1.00 0.00 C ATOM 1025 NE ARG A 70 6.612 -14.290 0.845 1.00 0.00 N ATOM 1026 CZ ARG A 70 5.855 -13.844 1.841 1.00 0.00 C ATOM 1027 NH1 ARG A 70 5.772 -14.528 2.974 1.00 0.00 N ATOM 1028 NH2 ARG A 70 5.179 -12.710 1.706 1.00 0.00 N ATOM 0 H ARG A 70 9.241 -12.158 1.990 1.00 0.00 H new ATOM 0 HA ARG A 70 10.603 -14.428 3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.208 -13.790 0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.321 -15.142 0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.981 -16.394 2.058 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.252 -14.984 2.800 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.737 -15.788 -0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.744 -16.339 1.247 1.00 0.00 H new ATOM 0 HE ARG A 70 6.654 -13.739 -0.013 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.291 -15.400 3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.190 -14.182 3.737 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.240 -12.180 0.837 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.598 -12.368 2.472 1.00 0.00 H new ATOM 1042 N ARG A 71 12.726 -14.578 1.694 1.00 0.00 N ATOM 1043 CA ARG A 71 14.089 -14.457 1.189 1.00 0.00 C ATOM 1044 C ARG A 71 14.192 -15.001 -0.233 1.00 0.00 C ATOM 1045 O ARG A 71 15.190 -15.621 -0.601 1.00 0.00 O ATOM 1046 CB ARG A 71 15.062 -15.202 2.103 1.00 0.00 C ATOM 1047 CG ARG A 71 15.202 -14.578 3.482 1.00 0.00 C ATOM 1048 CD ARG A 71 16.293 -13.519 3.507 1.00 0.00 C ATOM 1049 NE ARG A 71 17.629 -14.109 3.473 1.00 0.00 N ATOM 1050 CZ ARG A 71 18.748 -13.394 3.455 1.00 0.00 C ATOM 1051 NH1 ARG A 71 18.692 -12.069 3.467 1.00 0.00 N ATOM 1052 NH2 ARG A 71 19.926 -14.004 3.424 1.00 0.00 N ATOM 0 H ARG A 71 12.469 -15.519 1.994 1.00 0.00 H new ATOM 0 HA ARG A 71 14.352 -13.399 1.175 1.00 0.00 H new ATOM 0 HB2 ARG A 71 14.727 -16.233 2.213 1.00 0.00 H new ATOM 0 HB3 ARG A 71 16.042 -15.234 1.627 1.00 0.00 H new ATOM 0 HG2 ARG A 71 14.253 -14.131 3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 71 15.430 -15.354 4.212 1.00 0.00 H new ATOM 0 HD2 ARG A 71 16.170 -12.851 2.654 1.00 0.00 H new ATOM 0 HD3 ARG A 71 16.188 -12.911 4.406 1.00 0.00 H new ATOM 0 HE ARG A 71 17.707 -15.126 3.463 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.788 -11.597 3.490 1.00 0.00 H new ATOM 0 HH12 ARG A 71 19.553 -11.522 3.453 1.00 0.00 H new ATOM 0 HH21 ARG A 71 19.973 -15.023 3.414 1.00 0.00 H new ATOM 0 HH22 ARG A 71 20.785 -13.454 3.410 1.00 0.00 H new ATOM 1066 N TYR A 72 13.154 -14.765 -1.028 1.00 0.00 N ATOM 1067 CA TYR A 72 13.126 -15.234 -2.408 1.00 0.00 C ATOM 1068 C TYR A 72 14.361 -14.761 -3.169 1.00 0.00 C ATOM 1069 O TYR A 72 14.922 -13.705 -2.872 1.00 0.00 O ATOM 1070 CB TYR A 72 11.860 -14.741 -3.111 1.00 0.00 C ATOM 1071 CG TYR A 72 11.645 -13.249 -2.994 1.00 0.00 C ATOM 1072 CD1 TYR A 72 11.028 -12.701 -1.877 1.00 0.00 C ATOM 1073 CD2 TYR A 72 12.061 -12.386 -4.001 1.00 0.00 C ATOM 1074 CE1 TYR A 72 10.829 -11.339 -1.766 1.00 0.00 C ATOM 1075 CE2 TYR A 72 11.868 -11.022 -3.899 1.00 0.00 C ATOM 1076 CZ TYR A 72 11.250 -10.503 -2.780 1.00 0.00 C ATOM 1077 OH TYR A 72 11.055 -9.145 -2.673 1.00 0.00 O ATOM 0 H TYR A 72 12.321 -14.252 -0.740 1.00 0.00 H new ATOM 0 HA TYR A 72 13.125 -16.324 -2.395 1.00 0.00 H new ATOM 0 HB2 TYR A 72 11.912 -15.011 -4.166 1.00 0.00 H new ATOM 0 HB3 TYR A 72 10.997 -15.258 -2.692 1.00 0.00 H new ATOM 0 HD1 TYR A 72 10.698 -13.352 -1.081 1.00 0.00 H new ATOM 0 HD2 TYR A 72 12.544 -12.789 -4.879 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.347 -10.930 -0.890 1.00 0.00 H new ATOM 0 HE2 TYR A 72 12.199 -10.366 -4.690 1.00 0.00 H new ATOM 0 HH TYR A 72 11.410 -8.700 -3.471 1.00 0.00 H new ATOM 1087 N LEU A 73 14.780 -15.550 -4.152 1.00 0.00 N ATOM 1088 CA LEU A 73 15.948 -15.213 -4.958 1.00 0.00 C ATOM 1089 C LEU A 73 15.543 -14.870 -6.388 1.00 0.00 C ATOM 1090 O LEU A 73 15.212 -15.754 -7.178 1.00 0.00 O ATOM 1091 CB LEU A 73 16.941 -16.377 -4.963 1.00 0.00 C ATOM 1092 CG LEU A 73 16.348 -17.765 -5.203 1.00 0.00 C ATOM 1093 CD1 LEU A 73 17.350 -18.657 -5.919 1.00 0.00 C ATOM 1094 CD2 LEU A 73 15.914 -18.395 -3.887 1.00 0.00 C ATOM 0 H LEU A 73 14.328 -16.427 -4.410 1.00 0.00 H new ATOM 0 HA LEU A 73 16.424 -14.338 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.690 -16.186 -5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.462 -16.387 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 73 15.469 -17.658 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 73 16.910 -19.641 -6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.611 -18.213 -6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.248 -18.757 -5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 73 15.494 -19.383 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.776 -18.488 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.160 -17.766 -3.413 1.00 0.00 H new ATOM 1106 N GLU A 74 15.574 -13.581 -6.714 1.00 0.00 N ATOM 1107 CA GLU A 74 15.211 -13.123 -8.050 1.00 0.00 C ATOM 1108 C GLU A 74 16.312 -13.449 -9.055 1.00 0.00 C ATOM 1109 O GLU A 74 17.435 -13.778 -8.675 1.00 0.00 O ATOM 1110 CB GLU A 74 14.944 -11.616 -8.040 1.00 0.00 C ATOM 1111 CG GLU A 74 13.594 -11.241 -7.453 1.00 0.00 C ATOM 1112 CD GLU A 74 12.433 -11.772 -8.272 1.00 0.00 C ATOM 1113 OE1 GLU A 74 12.535 -11.767 -9.517 1.00 0.00 O ATOM 1114 OE2 GLU A 74 11.424 -12.192 -7.669 1.00 0.00 O ATOM 0 H GLU A 74 15.846 -12.837 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 74 14.303 -13.644 -8.351 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.729 -11.120 -7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.005 -11.238 -9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.524 -11.628 -6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.520 -10.156 -7.386 1.00 0.00 H new ATOM 1121 N GLU A 75 15.980 -13.355 -10.338 1.00 0.00 N ATOM 1122 CA GLU A 75 16.940 -13.642 -11.398 1.00 0.00 C ATOM 1123 C GLU A 75 17.964 -12.517 -11.523 1.00 0.00 C ATOM 1124 O GLU A 75 17.631 -11.341 -11.379 1.00 0.00 O ATOM 1125 CB GLU A 75 16.217 -13.838 -12.732 1.00 0.00 C ATOM 1126 CG GLU A 75 16.992 -14.688 -13.725 1.00 0.00 C ATOM 1127 CD GLU A 75 16.944 -16.166 -13.390 1.00 0.00 C ATOM 1128 OE1 GLU A 75 15.851 -16.762 -13.495 1.00 0.00 O ATOM 1129 OE2 GLU A 75 17.997 -16.727 -13.023 1.00 0.00 O ATOM 0 H GLU A 75 15.054 -13.083 -10.669 1.00 0.00 H new ATOM 0 HA GLU A 75 17.465 -14.562 -11.139 1.00 0.00 H new ATOM 0 HB2 GLU A 75 15.249 -14.303 -12.546 1.00 0.00 H new ATOM 0 HB3 GLU A 75 16.022 -12.862 -13.177 1.00 0.00 H new ATOM 0 HG2 GLU A 75 16.587 -14.533 -14.725 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.031 -14.358 -13.747 1.00 0.00 H new ATOM 1136 N ALA A 76 19.212 -12.889 -11.790 1.00 0.00 N ATOM 1137 CA ALA A 76 20.285 -11.913 -11.936 1.00 0.00 C ATOM 1138 C ALA A 76 20.115 -11.096 -13.212 1.00 0.00 C ATOM 1139 O ALA A 76 20.199 -11.630 -14.317 1.00 0.00 O ATOM 1140 CB ALA A 76 21.637 -12.610 -11.929 1.00 0.00 C ATOM 0 H ALA A 76 19.505 -13.859 -11.910 1.00 0.00 H new ATOM 0 HA ALA A 76 20.237 -11.228 -11.089 1.00 0.00 H new ATOM 0 HB1 ALA A 76 22.429 -11.869 -12.039 1.00 0.00 H new ATOM 0 HB2 ALA A 76 21.767 -13.143 -10.987 1.00 0.00 H new ATOM 0 HB3 ALA A 76 21.686 -13.318 -12.756 1.00 0.00 H new ATOM 1146 N ASN A 77 19.875 -9.799 -13.052 1.00 0.00 N ATOM 1147 CA ASN A 77 19.692 -8.909 -14.193 1.00 0.00 C ATOM 1148 C ASN A 77 21.003 -8.221 -14.562 1.00 0.00 C ATOM 1149 O ASN A 77 21.543 -7.412 -13.807 1.00 0.00 O ATOM 1150 CB ASN A 77 18.623 -7.860 -13.881 1.00 0.00 C ATOM 1151 CG ASN A 77 17.276 -8.482 -13.568 1.00 0.00 C ATOM 1152 OD1 ASN A 77 17.197 -9.630 -13.132 1.00 0.00 O ATOM 1153 ND2 ASN A 77 16.208 -7.725 -13.792 1.00 0.00 N ATOM 0 H ASN A 77 19.803 -9.341 -12.144 1.00 0.00 H new ATOM 0 HA ASN A 77 19.366 -9.510 -15.042 1.00 0.00 H new ATOM 0 HB2 ASN A 77 18.947 -7.256 -13.033 1.00 0.00 H new ATOM 0 HB3 ASN A 77 18.520 -7.186 -14.732 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.275 -8.090 -13.602 1.00 0.00 H new ATOM 0 HD22 ASN A 77 16.321 -6.778 -14.154 1.00 0.00 H new ATOM 1160 N PRO A 78 21.529 -8.549 -15.752 1.00 0.00 N ATOM 1161 CA PRO A 78 22.782 -7.974 -16.249 1.00 0.00 C ATOM 1162 C PRO A 78 22.640 -6.499 -16.609 1.00 0.00 C ATOM 1163 O PRO A 78 21.992 -6.149 -17.595 1.00 0.00 O ATOM 1164 CB PRO A 78 23.080 -8.803 -17.501 1.00 0.00 C ATOM 1165 CG PRO A 78 21.750 -9.299 -17.953 1.00 0.00 C ATOM 1166 CD PRO A 78 20.939 -9.506 -16.703 1.00 0.00 C ATOM 0 HA PRO A 78 23.572 -8.009 -15.499 1.00 0.00 H new ATOM 0 HB2 PRO A 78 23.560 -8.199 -18.271 1.00 0.00 H new ATOM 0 HB3 PRO A 78 23.755 -9.629 -17.277 1.00 0.00 H new ATOM 0 HG2 PRO A 78 21.269 -8.579 -18.615 1.00 0.00 H new ATOM 0 HG3 PRO A 78 21.850 -10.229 -18.512 1.00 0.00 H new ATOM 0 HD2 PRO A 78 19.881 -9.304 -16.872 1.00 0.00 H new ATOM 0 HD3 PRO A 78 21.014 -10.531 -16.340 1.00 0.00 H new ATOM 1174 N VAL A 79 23.251 -5.637 -15.802 1.00 0.00 N ATOM 1175 CA VAL A 79 23.194 -4.199 -16.036 1.00 0.00 C ATOM 1176 C VAL A 79 24.313 -3.749 -16.969 1.00 0.00 C ATOM 1177 O VAL A 79 25.490 -4.000 -16.710 1.00 0.00 O ATOM 1178 CB VAL A 79 23.294 -3.411 -14.716 1.00 0.00 C ATOM 1179 CG1 VAL A 79 23.151 -1.919 -14.973 1.00 0.00 C ATOM 1180 CG2 VAL A 79 22.243 -3.893 -13.727 1.00 0.00 C ATOM 0 H VAL A 79 23.791 -5.910 -14.981 1.00 0.00 H new ATOM 0 HA VAL A 79 22.231 -3.992 -16.502 1.00 0.00 H new ATOM 0 HB VAL A 79 24.278 -3.588 -14.281 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.224 -1.379 -14.029 1.00 0.00 H new ATOM 0 HG12 VAL A 79 23.944 -1.588 -15.643 1.00 0.00 H new ATOM 0 HG13 VAL A 79 22.182 -1.720 -15.431 1.00 0.00 H new ATOM 0 HG21 VAL A 79 22.328 -3.326 -12.800 1.00 0.00 H new ATOM 0 HG22 VAL A 79 21.250 -3.747 -14.152 1.00 0.00 H new ATOM 0 HG23 VAL A 79 22.397 -4.952 -13.520 1.00 0.00 H new ATOM 1190 N SER A 80 23.937 -3.083 -18.056 1.00 0.00 N ATOM 1191 CA SER A 80 24.908 -2.601 -19.031 1.00 0.00 C ATOM 1192 C SER A 80 26.077 -1.910 -18.337 1.00 0.00 C ATOM 1193 O SER A 80 25.974 -1.501 -17.181 1.00 0.00 O ATOM 1194 CB SER A 80 24.241 -1.636 -20.013 1.00 0.00 C ATOM 1195 OG SER A 80 23.198 -2.276 -20.728 1.00 0.00 O ATOM 0 H SER A 80 22.967 -2.865 -18.284 1.00 0.00 H new ATOM 0 HA SER A 80 25.291 -3.461 -19.581 1.00 0.00 H new ATOM 0 HB2 SER A 80 23.842 -0.779 -19.471 1.00 0.00 H new ATOM 0 HB3 SER A 80 24.984 -1.253 -20.713 1.00 0.00 H new ATOM 0 HG SER A 80 22.787 -1.638 -21.348 1.00 0.00 H new ATOM 1201 N GLY A 81 27.192 -1.783 -19.051 1.00 0.00 N ATOM 1202 CA GLY A 81 28.365 -1.142 -18.489 1.00 0.00 C ATOM 1203 C GLY A 81 29.353 -2.139 -17.916 1.00 0.00 C ATOM 1204 O GLY A 81 29.990 -2.902 -18.643 1.00 0.00 O ATOM 0 H GLY A 81 27.303 -2.113 -20.010 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.857 -0.551 -19.261 1.00 0.00 H new ATOM 0 HA3 GLY A 81 28.057 -0.450 -17.706 1.00 0.00 H new ATOM 1208 N PRO A 82 29.492 -2.141 -16.582 1.00 0.00 N ATOM 1209 CA PRO A 82 30.408 -3.046 -15.882 1.00 0.00 C ATOM 1210 C PRO A 82 29.941 -4.497 -15.934 1.00 0.00 C ATOM 1211 O PRO A 82 29.063 -4.904 -15.172 1.00 0.00 O ATOM 1212 CB PRO A 82 30.388 -2.529 -14.442 1.00 0.00 C ATOM 1213 CG PRO A 82 29.071 -1.846 -14.303 1.00 0.00 C ATOM 1214 CD PRO A 82 28.764 -1.259 -15.653 1.00 0.00 C ATOM 0 HA PRO A 82 31.400 -3.050 -16.333 1.00 0.00 H new ATOM 0 HB2 PRO A 82 30.488 -3.345 -13.727 1.00 0.00 H new ATOM 0 HB3 PRO A 82 31.213 -1.840 -14.257 1.00 0.00 H new ATOM 0 HG2 PRO A 82 28.297 -2.550 -13.998 1.00 0.00 H new ATOM 0 HG3 PRO A 82 29.113 -1.069 -13.540 1.00 0.00 H new ATOM 0 HD2 PRO A 82 27.693 -1.257 -15.856 1.00 0.00 H new ATOM 0 HD3 PRO A 82 29.105 -0.226 -15.729 1.00 0.00 H new ATOM 1222 N SER A 83 30.534 -5.273 -16.835 1.00 0.00 N ATOM 1223 CA SER A 83 30.175 -6.678 -16.988 1.00 0.00 C ATOM 1224 C SER A 83 31.422 -7.542 -17.155 1.00 0.00 C ATOM 1225 O SER A 83 32.539 -7.030 -17.231 1.00 0.00 O ATOM 1226 CB SER A 83 29.249 -6.863 -18.191 1.00 0.00 C ATOM 1227 OG SER A 83 27.956 -6.350 -17.923 1.00 0.00 O ATOM 0 H SER A 83 31.265 -4.953 -17.470 1.00 0.00 H new ATOM 0 HA SER A 83 29.652 -6.994 -16.085 1.00 0.00 H new ATOM 0 HB2 SER A 83 29.671 -6.358 -19.060 1.00 0.00 H new ATOM 0 HB3 SER A 83 29.179 -7.922 -18.441 1.00 0.00 H new ATOM 0 HG SER A 83 27.384 -6.479 -18.708 1.00 0.00 H new ATOM 1233 N SER A 84 31.222 -8.855 -17.211 1.00 0.00 N ATOM 1234 CA SER A 84 32.330 -9.791 -17.365 1.00 0.00 C ATOM 1235 C SER A 84 31.982 -10.883 -18.372 1.00 0.00 C ATOM 1236 O SER A 84 30.827 -11.030 -18.770 1.00 0.00 O ATOM 1237 CB SER A 84 32.686 -10.419 -16.016 1.00 0.00 C ATOM 1238 OG SER A 84 33.963 -11.029 -16.059 1.00 0.00 O ATOM 0 H SER A 84 30.303 -9.295 -17.152 1.00 0.00 H new ATOM 0 HA SER A 84 33.192 -9.238 -17.739 1.00 0.00 H new ATOM 0 HB2 SER A 84 32.671 -9.654 -15.240 1.00 0.00 H new ATOM 0 HB3 SER A 84 31.934 -11.161 -15.747 1.00 0.00 H new ATOM 0 HG SER A 84 34.168 -11.421 -15.185 1.00 0.00 H new ATOM 1244 N GLY A 85 32.990 -11.648 -18.778 1.00 0.00 N ATOM 1245 CA GLY A 85 32.772 -12.717 -19.735 1.00 0.00 C ATOM 1246 C GLY A 85 34.004 -13.011 -20.568 1.00 0.00 C ATOM 1247 O GLY A 85 34.980 -12.268 -20.476 1.00 0.00 O ATOM 0 H GLY A 85 33.954 -11.547 -18.461 1.00 0.00 H new ATOM 0 HA2 GLY A 85 32.473 -13.620 -19.204 1.00 0.00 H new ATOM 0 HA3 GLY A 85 31.947 -12.447 -20.395 1.00 0.00 H new TER 1251 GLY A 85 HETATM 1252 ZN ZN A 201 0.313 0.883 -11.605 1.00 0.00 ZN HETATM 1253 ZN ZN A 401 8.117 1.230 -3.015 1.00 0.00 ZN