USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 708 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 ASN : amide:sc= -4.79! C(o=-4.2!,f=-1!) USER MOD Set 1.2: A 83 SER OG : rot 85:sc= 0.573 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.103 (180deg=0) USER MOD Single : A 2 SER OG : rot 20:sc= 0.585 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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= -3.81 K(o=-3.8,f=-4.9!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.104 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -83:sc= 0.204 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -73:sc= 0.454 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0993 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 73 MET CE :methyl -150:sc= -3.78! (180deg=-5.43!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -18:sc= 0.938 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -21:sc= 0.528 USER MOD Single : A 87 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.47) USER MOD Single : A 88 MET CE :methyl -125:sc= -6.85! (180deg=-12.3!) USER MOD Single : A 89 MET CE :methyl -133:sc= -0.79 (180deg=-2.08) USER MOD Single : A 93 MET CE :methyl -139:sc= -0.58 (180deg=-2.57!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.0181 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.608 -13.558 -33.781 1.00 0.00 N ATOM 2 CA GLY A 1 -16.801 -13.183 -32.391 1.00 0.00 C ATOM 3 C GLY A 1 -15.716 -13.795 -31.502 1.00 0.00 C ATOM 4 O GLY A 1 -15.013 -14.714 -31.919 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.308 -12.725 -34.327 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.877 -14.295 -33.843 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.501 -13.923 -34.169 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.783 -12.097 -32.298 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.783 -13.516 -32.054 1.00 0.00 H new ATOM 8 N SER A 2 -15.615 -13.260 -30.294 1.00 0.00 N ATOM 9 CA SER A 2 -14.628 -13.742 -29.343 1.00 0.00 C ATOM 10 C SER A 2 -15.321 -14.498 -28.207 1.00 0.00 C ATOM 11 O SER A 2 -16.138 -13.928 -27.485 1.00 0.00 O ATOM 12 CB SER A 2 -13.795 -12.588 -28.781 1.00 0.00 C ATOM 13 OG SER A 2 -14.559 -11.746 -27.922 1.00 0.00 O ATOM 0 H SER A 2 -16.200 -12.498 -29.952 1.00 0.00 H new ATOM 0 HA SER A 2 -13.954 -14.421 -29.865 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.944 -12.990 -28.231 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.393 -11.997 -29.604 1.00 0.00 H new ATOM 0 HG SER A 2 -15.356 -12.227 -27.617 1.00 0.00 H new ATOM 19 N SER A 3 -14.969 -15.769 -28.084 1.00 0.00 N ATOM 20 CA SER A 3 -15.547 -16.609 -27.049 1.00 0.00 C ATOM 21 C SER A 3 -14.587 -16.711 -25.862 1.00 0.00 C ATOM 22 O SER A 3 -13.370 -16.675 -26.038 1.00 0.00 O ATOM 23 CB SER A 3 -15.874 -18.003 -27.589 1.00 0.00 C ATOM 24 OG SER A 3 -17.075 -18.010 -28.356 1.00 0.00 O ATOM 0 H SER A 3 -14.290 -16.238 -28.684 1.00 0.00 H new ATOM 0 HA SER A 3 -16.478 -16.151 -26.717 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.048 -18.356 -28.206 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.971 -18.701 -26.757 1.00 0.00 H new ATOM 0 HG SER A 3 -17.248 -18.917 -28.684 1.00 0.00 H new ATOM 30 N GLY A 4 -15.171 -16.836 -24.679 1.00 0.00 N ATOM 31 CA GLY A 4 -14.383 -16.943 -23.463 1.00 0.00 C ATOM 32 C GLY A 4 -14.187 -18.408 -23.064 1.00 0.00 C ATOM 33 O GLY A 4 -14.850 -19.294 -23.600 1.00 0.00 O ATOM 0 H GLY A 4 -16.181 -16.866 -24.537 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.412 -16.470 -23.611 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.879 -16.406 -22.655 1.00 0.00 H new ATOM 37 N SER A 5 -13.273 -18.615 -22.127 1.00 0.00 N ATOM 38 CA SER A 5 -12.982 -19.956 -21.651 1.00 0.00 C ATOM 39 C SER A 5 -11.871 -19.908 -20.599 1.00 0.00 C ATOM 40 O SER A 5 -10.848 -19.256 -20.802 1.00 0.00 O ATOM 41 CB SER A 5 -12.580 -20.876 -22.805 1.00 0.00 C ATOM 42 OG SER A 5 -13.226 -22.144 -22.727 1.00 0.00 O ATOM 0 H SER A 5 -12.725 -17.877 -21.685 1.00 0.00 H new ATOM 0 HA SER A 5 -13.887 -20.361 -21.198 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.830 -20.399 -23.753 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.499 -21.018 -22.796 1.00 0.00 H new ATOM 0 HG SER A 5 -12.945 -22.702 -23.482 1.00 0.00 H new ATOM 48 N SER A 6 -12.110 -20.607 -19.500 1.00 0.00 N ATOM 49 CA SER A 6 -11.143 -20.652 -18.416 1.00 0.00 C ATOM 50 C SER A 6 -10.905 -19.244 -17.868 1.00 0.00 C ATOM 51 O SER A 6 -11.187 -18.255 -18.544 1.00 0.00 O ATOM 52 CB SER A 6 -9.823 -21.271 -18.882 1.00 0.00 C ATOM 53 OG SER A 6 -9.976 -22.639 -19.250 1.00 0.00 O ATOM 0 H SER A 6 -12.960 -21.147 -19.336 1.00 0.00 H new ATOM 0 HA SER A 6 -11.548 -21.280 -17.622 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.438 -20.708 -19.732 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.083 -21.190 -18.085 1.00 0.00 H new ATOM 0 HG SER A 6 -9.112 -22.997 -19.543 1.00 0.00 H new ATOM 59 N GLY A 7 -10.387 -19.197 -16.650 1.00 0.00 N ATOM 60 CA GLY A 7 -10.107 -17.926 -16.004 1.00 0.00 C ATOM 61 C GLY A 7 -8.955 -17.199 -16.699 1.00 0.00 C ATOM 62 O GLY A 7 -8.555 -17.573 -17.801 1.00 0.00 O ATOM 0 H GLY A 7 -10.154 -20.019 -16.093 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.000 -17.301 -16.022 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.856 -18.094 -14.957 1.00 0.00 H new ATOM 66 N SER A 8 -8.454 -16.173 -16.028 1.00 0.00 N ATOM 67 CA SER A 8 -7.355 -15.390 -16.568 1.00 0.00 C ATOM 68 C SER A 8 -6.789 -14.468 -15.486 1.00 0.00 C ATOM 69 O SER A 8 -7.437 -14.226 -14.469 1.00 0.00 O ATOM 70 CB SER A 8 -7.805 -14.572 -17.780 1.00 0.00 C ATOM 71 OG SER A 8 -6.733 -14.326 -18.686 1.00 0.00 O ATOM 0 H SER A 8 -8.789 -15.865 -15.115 1.00 0.00 H new ATOM 0 HA SER A 8 -6.575 -16.076 -16.897 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.604 -15.102 -18.299 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.220 -13.622 -17.443 1.00 0.00 H new ATOM 0 HG SER A 8 -7.061 -13.803 -19.447 1.00 0.00 H new ATOM 77 N ASP A 9 -5.585 -13.978 -15.742 1.00 0.00 N ATOM 78 CA ASP A 9 -4.923 -13.088 -14.804 1.00 0.00 C ATOM 79 C ASP A 9 -5.733 -11.796 -14.675 1.00 0.00 C ATOM 80 O ASP A 9 -6.163 -11.227 -15.677 1.00 0.00 O ATOM 81 CB ASP A 9 -3.520 -12.719 -15.289 1.00 0.00 C ATOM 82 CG ASP A 9 -2.695 -13.889 -15.829 1.00 0.00 C ATOM 83 OD1 ASP A 9 -3.153 -14.496 -16.821 1.00 0.00 O ATOM 84 OD2 ASP A 9 -1.625 -14.149 -15.238 1.00 0.00 O ATOM 0 H ASP A 9 -5.050 -14.181 -16.587 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.849 -13.603 -13.846 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.609 -11.965 -16.071 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.975 -12.260 -14.464 1.00 0.00 H new ATOM 89 N ILE A 10 -5.917 -11.372 -13.434 1.00 0.00 N ATOM 90 CA ILE A 10 -6.668 -10.158 -13.161 1.00 0.00 C ATOM 91 C ILE A 10 -5.917 -9.321 -12.124 1.00 0.00 C ATOM 92 O ILE A 10 -5.105 -9.848 -11.365 1.00 0.00 O ATOM 93 CB ILE A 10 -8.104 -10.496 -12.756 1.00 0.00 C ATOM 94 CG1 ILE A 10 -8.812 -11.289 -13.856 1.00 0.00 C ATOM 95 CG2 ILE A 10 -8.877 -9.232 -12.372 1.00 0.00 C ATOM 96 CD1 ILE A 10 -10.300 -10.938 -13.914 1.00 0.00 C ATOM 0 H ILE A 10 -5.559 -11.847 -12.606 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.750 -9.550 -14.062 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.069 -11.133 -11.872 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.347 -11.077 -14.819 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.694 -12.357 -13.673 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.895 -9.500 -12.088 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.383 -8.744 -11.532 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.905 -8.550 -13.222 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.780 -11.516 -14.704 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.767 -11.174 -12.958 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.415 -9.874 -14.121 1.00 0.00 H new ATOM 108 N ILE A 11 -6.215 -8.030 -12.124 1.00 0.00 N ATOM 109 CA ILE A 11 -5.578 -7.114 -11.192 1.00 0.00 C ATOM 110 C ILE A 11 -6.407 -7.042 -9.908 1.00 0.00 C ATOM 111 O ILE A 11 -7.629 -7.172 -9.946 1.00 0.00 O ATOM 112 CB ILE A 11 -5.346 -5.753 -11.852 1.00 0.00 C ATOM 113 CG1 ILE A 11 -4.109 -5.784 -12.751 1.00 0.00 C ATOM 114 CG2 ILE A 11 -5.266 -4.642 -10.803 1.00 0.00 C ATOM 115 CD1 ILE A 11 -2.834 -5.547 -11.939 1.00 0.00 C ATOM 0 H ILE A 11 -6.889 -7.596 -12.755 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.590 -7.480 -10.914 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.202 -5.532 -12.490 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.048 -6.747 -13.258 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.198 -5.022 -13.525 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.101 -3.685 -11.298 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.200 -4.604 -10.242 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.441 -4.845 -10.121 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.970 -5.574 -12.603 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.888 -4.573 -11.453 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.735 -6.325 -11.182 1.00 0.00 H new ATOM 127 N HIS A 12 -5.708 -6.836 -8.802 1.00 0.00 N ATOM 128 CA HIS A 12 -6.363 -6.745 -7.508 1.00 0.00 C ATOM 129 C HIS A 12 -6.412 -5.283 -7.059 1.00 0.00 C ATOM 130 O HIS A 12 -5.462 -4.532 -7.274 1.00 0.00 O ATOM 131 CB HIS A 12 -5.680 -7.657 -6.487 1.00 0.00 C ATOM 132 CG HIS A 12 -5.658 -9.114 -6.883 1.00 0.00 C ATOM 133 ND1 HIS A 12 -5.603 -10.141 -5.958 1.00 0.00 N ATOM 134 CD2 HIS A 12 -5.686 -9.704 -8.112 1.00 0.00 C ATOM 135 CE1 HIS A 12 -5.597 -11.293 -6.612 1.00 0.00 C ATOM 136 NE2 HIS A 12 -5.648 -11.020 -7.947 1.00 0.00 N ATOM 0 H HIS A 12 -4.694 -6.729 -8.775 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.391 -7.098 -7.592 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.655 -7.316 -6.339 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -6.190 -7.559 -5.529 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -5.572 -10.030 -4.945 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.731 -9.188 -9.059 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.558 -12.276 -6.166 1.00 0.00 H new ATOM 144 N SER A 13 -7.528 -4.923 -6.443 1.00 0.00 N ATOM 145 CA SER A 13 -7.712 -3.565 -5.961 1.00 0.00 C ATOM 146 C SER A 13 -7.685 -3.544 -4.431 1.00 0.00 C ATOM 147 O SER A 13 -8.388 -4.318 -3.784 1.00 0.00 O ATOM 148 CB SER A 13 -9.025 -2.971 -6.477 1.00 0.00 C ATOM 149 OG SER A 13 -9.557 -3.718 -7.567 1.00 0.00 O ATOM 0 H SER A 13 -8.314 -5.548 -6.267 1.00 0.00 H new ATOM 0 HA SER A 13 -6.893 -2.953 -6.341 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.754 -2.943 -5.667 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.858 -1.941 -6.791 1.00 0.00 H new ATOM 0 HG SER A 13 -10.395 -3.308 -7.866 1.00 0.00 H new ATOM 155 N VAL A 14 -6.866 -2.649 -3.898 1.00 0.00 N ATOM 156 CA VAL A 14 -6.739 -2.517 -2.457 1.00 0.00 C ATOM 157 C VAL A 14 -6.508 -1.046 -2.102 1.00 0.00 C ATOM 158 O VAL A 14 -5.926 -0.299 -2.887 1.00 0.00 O ATOM 159 CB VAL A 14 -5.629 -3.437 -1.944 1.00 0.00 C ATOM 160 CG1 VAL A 14 -4.332 -3.221 -2.726 1.00 0.00 C ATOM 161 CG2 VAL A 14 -5.404 -3.240 -0.443 1.00 0.00 C ATOM 0 H VAL A 14 -6.284 -2.009 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.658 -2.830 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.948 -4.467 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.560 -3.887 -2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.503 -3.435 -3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.008 -2.186 -2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.610 -3.905 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.118 -2.206 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.324 -3.468 0.096 1.00 0.00 H new ATOM 171 N ARG A 15 -6.975 -0.675 -0.920 1.00 0.00 N ATOM 172 CA ARG A 15 -6.827 0.692 -0.452 1.00 0.00 C ATOM 173 C ARG A 15 -6.263 0.708 0.970 1.00 0.00 C ATOM 174 O ARG A 15 -6.975 0.412 1.928 1.00 0.00 O ATOM 175 CB ARG A 15 -8.168 1.429 -0.469 1.00 0.00 C ATOM 176 CG ARG A 15 -8.603 1.741 -1.902 1.00 0.00 C ATOM 177 CD ARG A 15 -9.865 2.606 -1.916 1.00 0.00 C ATOM 178 NE ARG A 15 -11.014 1.817 -2.414 1.00 0.00 N ATOM 179 CZ ARG A 15 -12.236 2.324 -2.630 1.00 0.00 C ATOM 180 NH1 ARG A 15 -12.475 3.621 -2.394 1.00 0.00 N ATOM 181 NH2 ARG A 15 -13.218 1.533 -3.083 1.00 0.00 N ATOM 0 H ARG A 15 -7.457 -1.298 -0.272 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.138 1.200 -1.126 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.928 0.820 0.021 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.085 2.355 0.100 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.798 2.257 -2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.789 0.811 -2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.074 2.975 -0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.711 3.479 -2.550 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.867 0.826 -2.605 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.727 4.223 -2.050 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.405 4.006 -2.559 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.035 0.546 -3.263 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.148 1.918 -3.248 1.00 0.00 H new ATOM 195 N VAL A 16 -4.988 1.057 1.063 1.00 0.00 N ATOM 196 CA VAL A 16 -4.320 1.116 2.352 1.00 0.00 C ATOM 197 C VAL A 16 -4.334 2.557 2.864 1.00 0.00 C ATOM 198 O VAL A 16 -4.166 3.497 2.088 1.00 0.00 O ATOM 199 CB VAL A 16 -2.908 0.537 2.236 1.00 0.00 C ATOM 200 CG1 VAL A 16 -2.100 0.803 3.508 1.00 0.00 C ATOM 201 CG2 VAL A 16 -2.953 -0.960 1.919 1.00 0.00 C ATOM 0 H VAL A 16 -4.400 1.302 0.266 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.849 0.506 3.084 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.407 1.040 1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.101 0.381 3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.024 1.878 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.599 0.340 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.937 -1.346 1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.481 -1.485 2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.473 -1.116 0.974 1.00 0.00 H new ATOM 211 N GLU A 17 -4.537 2.687 4.167 1.00 0.00 N ATOM 212 CA GLU A 17 -4.576 3.998 4.792 1.00 0.00 C ATOM 213 C GLU A 17 -3.209 4.343 5.386 1.00 0.00 C ATOM 214 O GLU A 17 -2.358 3.469 5.546 1.00 0.00 O ATOM 215 CB GLU A 17 -5.670 4.064 5.859 1.00 0.00 C ATOM 216 CG GLU A 17 -6.616 5.239 5.602 1.00 0.00 C ATOM 217 CD GLU A 17 -7.053 5.889 6.916 1.00 0.00 C ATOM 218 OE1 GLU A 17 -6.337 6.815 7.356 1.00 0.00 O ATOM 219 OE2 GLU A 17 -8.092 5.447 7.450 1.00 0.00 O ATOM 0 H GLU A 17 -4.676 1.905 4.807 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.815 4.737 4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.235 3.132 5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.216 4.167 6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.120 5.979 4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.492 4.892 5.055 1.00 0.00 H new ATOM 226 N LYS A 18 -3.039 5.620 5.696 1.00 0.00 N ATOM 227 CA LYS A 18 -1.790 6.092 6.268 1.00 0.00 C ATOM 228 C LYS A 18 -1.696 5.634 7.725 1.00 0.00 C ATOM 229 O LYS A 18 -2.663 5.111 8.278 1.00 0.00 O ATOM 230 CB LYS A 18 -1.657 7.606 6.091 1.00 0.00 C ATOM 231 CG LYS A 18 -2.593 8.354 7.042 1.00 0.00 C ATOM 232 CD LYS A 18 -2.586 9.856 6.750 1.00 0.00 C ATOM 233 CE LYS A 18 -2.111 10.649 7.969 1.00 0.00 C ATOM 234 NZ LYS A 18 -0.632 10.655 8.040 1.00 0.00 N ATOM 0 H LYS A 18 -3.746 6.343 5.562 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.942 5.657 5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.626 7.908 6.277 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.887 7.877 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.606 7.965 6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.285 8.179 8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.934 10.062 5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.588 10.180 6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.482 11.672 7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.523 10.211 8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.327 11.197 8.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.284 9.678 8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.245 11.094 7.180 1.00 0.00 H new ATOM 248 N SER A 19 -0.524 5.846 8.305 1.00 0.00 N ATOM 249 CA SER A 19 -0.291 5.461 9.686 1.00 0.00 C ATOM 250 C SER A 19 0.520 6.543 10.402 1.00 0.00 C ATOM 251 O SER A 19 1.176 7.359 9.757 1.00 0.00 O ATOM 252 CB SER A 19 0.431 4.114 9.769 1.00 0.00 C ATOM 253 OG SER A 19 -0.373 3.115 10.389 1.00 0.00 O ATOM 0 H SER A 19 0.275 6.280 7.843 1.00 0.00 H new ATOM 0 HA SER A 19 -1.258 5.355 10.178 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.706 3.787 8.766 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.358 4.233 10.330 1.00 0.00 H new ATOM 0 HG SER A 19 0.122 2.270 10.421 1.00 0.00 H new ATOM 259 N PRO A 20 0.446 6.513 11.759 1.00 0.00 N ATOM 260 CA PRO A 20 1.165 7.481 12.569 1.00 0.00 C ATOM 261 C PRO A 20 2.661 7.160 12.609 1.00 0.00 C ATOM 262 O PRO A 20 3.485 7.969 12.186 1.00 0.00 O ATOM 263 CB PRO A 20 0.507 7.416 13.938 1.00 0.00 C ATOM 264 CG PRO A 20 -0.242 6.094 13.977 1.00 0.00 C ATOM 265 CD PRO A 20 -0.322 5.561 12.556 1.00 0.00 C ATOM 0 HA PRO A 20 1.110 8.491 12.163 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.252 7.467 14.732 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.173 8.255 14.085 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.273 5.383 14.623 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.241 6.234 14.389 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.097 4.557 12.486 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.355 5.500 12.213 1.00 0.00 H new ATOM 273 N ALA A 21 2.966 5.976 13.121 1.00 0.00 N ATOM 274 CA ALA A 21 4.347 5.538 13.221 1.00 0.00 C ATOM 275 C ALA A 21 4.419 4.031 12.963 1.00 0.00 C ATOM 276 O ALA A 21 3.508 3.291 13.329 1.00 0.00 O ATOM 277 CB ALA A 21 4.907 5.922 14.592 1.00 0.00 C ATOM 0 H ALA A 21 2.280 5.307 13.471 1.00 0.00 H new ATOM 0 HA ALA A 21 4.962 6.032 12.468 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.944 5.593 14.667 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.860 7.004 14.714 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.317 5.443 15.373 1.00 0.00 H new ATOM 283 N GLY A 22 5.512 3.622 12.335 1.00 0.00 N ATOM 284 CA GLY A 22 5.715 2.218 12.024 1.00 0.00 C ATOM 285 C GLY A 22 5.521 1.953 10.530 1.00 0.00 C ATOM 286 O GLY A 22 4.576 2.456 9.925 1.00 0.00 O ATOM 0 H GLY A 22 6.266 4.239 12.033 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.719 1.917 12.323 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.016 1.610 12.598 1.00 0.00 H new ATOM 290 N ARG A 23 6.432 1.165 9.978 1.00 0.00 N ATOM 291 CA ARG A 23 6.372 0.827 8.566 1.00 0.00 C ATOM 292 C ARG A 23 4.922 0.604 8.134 1.00 0.00 C ATOM 293 O ARG A 23 4.066 0.288 8.959 1.00 0.00 O ATOM 294 CB ARG A 23 7.186 -0.433 8.266 1.00 0.00 C ATOM 295 CG ARG A 23 6.603 -1.648 8.990 1.00 0.00 C ATOM 296 CD ARG A 23 7.711 -2.606 9.433 1.00 0.00 C ATOM 297 NE ARG A 23 7.921 -2.495 10.894 1.00 0.00 N ATOM 298 CZ ARG A 23 8.868 -3.160 11.569 1.00 0.00 C ATOM 299 NH1 ARG A 23 9.698 -3.988 10.920 1.00 0.00 N ATOM 300 NH2 ARG A 23 8.986 -2.998 12.894 1.00 0.00 N ATOM 0 H ARG A 23 7.216 0.751 10.483 1.00 0.00 H new ATOM 0 HA ARG A 23 6.796 1.661 8.008 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.197 -0.616 7.192 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.221 -0.284 8.574 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.033 -1.319 9.859 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.908 -2.169 8.332 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.444 -3.630 9.172 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.636 -2.374 8.905 1.00 0.00 H new ATOM 0 HE ARG A 23 7.306 -1.873 11.420 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.609 -4.112 9.912 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.419 -4.494 11.434 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.355 -2.368 13.389 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.707 -3.505 13.408 1.00 0.00 H new ATOM 314 N LEU A 24 4.689 0.777 6.841 1.00 0.00 N ATOM 315 CA LEU A 24 3.357 0.598 6.290 1.00 0.00 C ATOM 316 C LEU A 24 2.704 -0.627 6.933 1.00 0.00 C ATOM 317 O LEU A 24 3.395 -1.506 7.447 1.00 0.00 O ATOM 318 CB LEU A 24 3.413 0.534 4.762 1.00 0.00 C ATOM 319 CG LEU A 24 2.630 1.615 4.016 1.00 0.00 C ATOM 320 CD1 LEU A 24 1.166 1.637 4.460 1.00 0.00 C ATOM 321 CD2 LEU A 24 3.296 2.983 4.174 1.00 0.00 C ATOM 0 H LEU A 24 5.401 1.039 6.159 1.00 0.00 H new ATOM 0 HA LEU A 24 2.728 1.456 6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.457 0.592 4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.041 -0.440 4.445 1.00 0.00 H new ATOM 0 HG LEU A 24 2.641 1.372 2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.632 2.415 3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.709 0.669 4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.113 1.843 5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.719 3.733 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.337 3.248 5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.308 2.944 3.771 1.00 0.00 H new ATOM 333 N GLY A 25 1.380 -0.647 6.883 1.00 0.00 N ATOM 334 CA GLY A 25 0.626 -1.750 7.454 1.00 0.00 C ATOM 335 C GLY A 25 1.115 -3.091 6.904 1.00 0.00 C ATOM 336 O GLY A 25 0.869 -4.138 7.501 1.00 0.00 O ATOM 0 H GLY A 25 0.810 0.083 6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.726 -1.740 8.539 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.433 -1.626 7.230 1.00 0.00 H new ATOM 340 N PHE A 26 1.798 -3.017 5.771 1.00 0.00 N ATOM 341 CA PHE A 26 2.323 -4.212 5.133 1.00 0.00 C ATOM 342 C PHE A 26 3.840 -4.117 4.955 1.00 0.00 C ATOM 343 O PHE A 26 4.393 -3.020 4.887 1.00 0.00 O ATOM 344 CB PHE A 26 1.665 -4.310 3.756 1.00 0.00 C ATOM 345 CG PHE A 26 1.849 -3.064 2.888 1.00 0.00 C ATOM 346 CD1 PHE A 26 1.147 -1.933 3.164 1.00 0.00 C ATOM 347 CD2 PHE A 26 2.715 -3.088 1.839 1.00 0.00 C ATOM 348 CE1 PHE A 26 1.318 -0.776 2.359 1.00 0.00 C ATOM 349 CE2 PHE A 26 2.886 -1.931 1.033 1.00 0.00 C ATOM 350 CZ PHE A 26 2.184 -0.800 1.310 1.00 0.00 C ATOM 0 H PHE A 26 2.000 -2.147 5.278 1.00 0.00 H new ATOM 0 HA PHE A 26 2.110 -5.086 5.748 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.076 -5.171 3.229 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.599 -4.495 3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.459 -1.915 3.996 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.272 -3.987 1.619 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.761 0.123 2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.573 -1.950 0.200 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.314 0.080 0.697 1.00 0.00 H new ATOM 360 N SER A 27 4.469 -5.280 4.884 1.00 0.00 N ATOM 361 CA SER A 27 5.911 -5.342 4.715 1.00 0.00 C ATOM 362 C SER A 27 6.252 -5.801 3.296 1.00 0.00 C ATOM 363 O SER A 27 5.782 -6.845 2.847 1.00 0.00 O ATOM 364 CB SER A 27 6.547 -6.280 5.743 1.00 0.00 C ATOM 365 OG SER A 27 7.844 -5.841 6.136 1.00 0.00 O ATOM 0 H SER A 27 4.007 -6.188 4.940 1.00 0.00 H new ATOM 0 HA SER A 27 6.317 -4.343 4.875 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.905 -6.344 6.621 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.616 -7.284 5.324 1.00 0.00 H new ATOM 0 HG SER A 27 8.215 -6.465 6.794 1.00 0.00 H new ATOM 371 N VAL A 28 7.068 -4.998 2.629 1.00 0.00 N ATOM 372 CA VAL A 28 7.477 -5.308 1.269 1.00 0.00 C ATOM 373 C VAL A 28 8.944 -5.742 1.270 1.00 0.00 C ATOM 374 O VAL A 28 9.710 -5.355 2.152 1.00 0.00 O ATOM 375 CB VAL A 28 7.209 -4.110 0.356 1.00 0.00 C ATOM 376 CG1 VAL A 28 5.714 -3.970 0.061 1.00 0.00 C ATOM 377 CG2 VAL A 28 7.772 -2.822 0.960 1.00 0.00 C ATOM 0 H VAL A 28 7.457 -4.133 3.005 1.00 0.00 H new ATOM 0 HA VAL A 28 6.892 -6.138 0.874 1.00 0.00 H new ATOM 0 HB VAL A 28 7.722 -4.288 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.550 -3.111 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.354 -4.873 -0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.171 -3.826 0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.568 -1.986 0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.301 -2.637 1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.849 -2.924 1.095 1.00 0.00 H new ATOM 387 N ARG A 29 9.292 -6.541 0.272 1.00 0.00 N ATOM 388 CA ARG A 29 10.654 -7.032 0.146 1.00 0.00 C ATOM 389 C ARG A 29 11.185 -6.769 -1.264 1.00 0.00 C ATOM 390 O ARG A 29 10.416 -6.726 -2.223 1.00 0.00 O ATOM 391 CB ARG A 29 10.727 -8.532 0.439 1.00 0.00 C ATOM 392 CG ARG A 29 9.774 -9.315 -0.465 1.00 0.00 C ATOM 393 CD ARG A 29 10.048 -10.818 -0.381 1.00 0.00 C ATOM 394 NE ARG A 29 9.905 -11.435 -1.719 1.00 0.00 N ATOM 395 CZ ARG A 29 10.678 -11.134 -2.771 1.00 0.00 C ATOM 396 NH1 ARG A 29 11.653 -10.223 -2.648 1.00 0.00 N ATOM 397 NH2 ARG A 29 10.475 -11.743 -3.947 1.00 0.00 N ATOM 0 H ARG A 29 8.654 -6.861 -0.457 1.00 0.00 H new ATOM 0 HA ARG A 29 11.267 -6.500 0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.747 -8.886 0.291 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.475 -8.715 1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.743 -9.113 -0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.886 -8.978 -1.496 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.053 -10.992 0.003 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.354 -11.284 0.319 1.00 0.00 H new ATOM 0 HE ARG A 29 9.172 -12.133 -1.848 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.807 -9.758 -1.753 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.241 -9.994 -3.449 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.732 -12.436 -4.041 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.063 -11.514 -4.748 1.00 0.00 H new ATOM 411 N GLY A 30 12.497 -6.599 -1.346 1.00 0.00 N ATOM 412 CA GLY A 30 13.140 -6.341 -2.623 1.00 0.00 C ATOM 413 C GLY A 30 13.021 -4.865 -3.008 1.00 0.00 C ATOM 414 O GLY A 30 12.347 -4.094 -2.327 1.00 0.00 O ATOM 0 H GLY A 30 13.132 -6.635 -0.548 1.00 0.00 H new ATOM 0 HA2 GLY A 30 14.192 -6.623 -2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.684 -6.960 -3.396 1.00 0.00 H new ATOM 418 N GLY A 31 13.687 -4.516 -4.099 1.00 0.00 N ATOM 419 CA GLY A 31 13.665 -3.146 -4.583 1.00 0.00 C ATOM 420 C GLY A 31 14.417 -3.021 -5.910 1.00 0.00 C ATOM 421 O GLY A 31 14.252 -3.853 -6.802 1.00 0.00 O ATOM 0 H GLY A 31 14.245 -5.158 -4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.633 -2.819 -4.713 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.117 -2.487 -3.841 1.00 0.00 H new ATOM 425 N SER A 32 15.226 -1.976 -5.999 1.00 0.00 N ATOM 426 CA SER A 32 16.003 -1.731 -7.202 1.00 0.00 C ATOM 427 C SER A 32 17.403 -2.331 -7.051 1.00 0.00 C ATOM 428 O SER A 32 18.240 -1.790 -6.331 1.00 0.00 O ATOM 429 CB SER A 32 16.098 -0.234 -7.502 1.00 0.00 C ATOM 430 OG SER A 32 16.877 0.029 -8.665 1.00 0.00 O ATOM 0 H SER A 32 15.360 -1.289 -5.257 1.00 0.00 H new ATOM 0 HA SER A 32 15.496 -2.210 -8.040 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.096 0.173 -7.637 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.538 0.280 -6.647 1.00 0.00 H new ATOM 0 HG SER A 32 16.912 0.995 -8.823 1.00 0.00 H new ATOM 436 N GLU A 33 17.613 -3.442 -7.743 1.00 0.00 N ATOM 437 CA GLU A 33 18.896 -4.122 -7.695 1.00 0.00 C ATOM 438 C GLU A 33 18.912 -5.295 -8.677 1.00 0.00 C ATOM 439 O GLU A 33 19.736 -5.334 -9.590 1.00 0.00 O ATOM 440 CB GLU A 33 19.216 -4.591 -6.275 1.00 0.00 C ATOM 441 CG GLU A 33 20.505 -3.947 -5.761 1.00 0.00 C ATOM 442 CD GLU A 33 20.916 -4.541 -4.412 1.00 0.00 C ATOM 443 OE1 GLU A 33 21.495 -5.649 -4.433 1.00 0.00 O ATOM 444 OE2 GLU A 33 20.641 -3.875 -3.391 1.00 0.00 O ATOM 0 H GLU A 33 16.916 -3.888 -8.340 1.00 0.00 H new ATOM 0 HA GLU A 33 19.671 -3.415 -7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 33 18.390 -4.339 -5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 33 19.317 -5.676 -6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 33 21.305 -4.096 -6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 33 20.363 -2.871 -5.660 1.00 0.00 H new ATOM 451 N HIS A 34 17.993 -6.223 -8.456 1.00 0.00 N ATOM 452 CA HIS A 34 17.891 -7.394 -9.310 1.00 0.00 C ATOM 453 C HIS A 34 16.986 -7.082 -10.503 1.00 0.00 C ATOM 454 O HIS A 34 17.357 -7.328 -11.650 1.00 0.00 O ATOM 455 CB HIS A 34 17.419 -8.610 -8.510 1.00 0.00 C ATOM 456 CG HIS A 34 18.466 -9.687 -8.356 1.00 0.00 C ATOM 457 ND1 HIS A 34 18.589 -10.745 -9.240 1.00 0.00 N ATOM 458 CD2 HIS A 34 19.437 -9.858 -7.414 1.00 0.00 C ATOM 459 CE1 HIS A 34 19.591 -11.513 -8.837 1.00 0.00 C ATOM 460 NE2 HIS A 34 20.115 -10.961 -7.705 1.00 0.00 N ATOM 0 H HIS A 34 17.312 -6.188 -7.698 1.00 0.00 H new ATOM 0 HA HIS A 34 18.875 -7.649 -9.702 1.00 0.00 H new ATOM 0 HB2 HIS A 34 17.103 -8.281 -7.520 1.00 0.00 H new ATOM 0 HB3 HIS A 34 16.543 -9.036 -8.999 1.00 0.00 H new ATOM 0 HD2 HIS A 34 19.623 -9.206 -6.573 1.00 0.00 H new ATOM 0 HE1 HIS A 34 19.933 -12.417 -9.320 1.00 0.00 H new ATOM 0 HE2 HIS A 34 20.899 -11.335 -7.170 1.00 0.00 H new ATOM 468 N GLY A 35 15.815 -6.544 -10.193 1.00 0.00 N ATOM 469 CA GLY A 35 14.854 -6.196 -11.225 1.00 0.00 C ATOM 470 C GLY A 35 13.579 -7.031 -11.092 1.00 0.00 C ATOM 471 O GLY A 35 13.264 -7.834 -11.968 1.00 0.00 O ATOM 0 H GLY A 35 15.510 -6.341 -9.241 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.608 -5.136 -11.155 1.00 0.00 H new ATOM 0 HA3 GLY A 35 15.297 -6.356 -12.208 1.00 0.00 H new ATOM 475 N LEU A 36 12.880 -6.812 -9.987 1.00 0.00 N ATOM 476 CA LEU A 36 11.646 -7.535 -9.728 1.00 0.00 C ATOM 477 C LEU A 36 10.535 -6.535 -9.400 1.00 0.00 C ATOM 478 O LEU A 36 9.421 -6.650 -9.911 1.00 0.00 O ATOM 479 CB LEU A 36 11.862 -8.591 -8.643 1.00 0.00 C ATOM 480 CG LEU A 36 12.597 -8.121 -7.385 1.00 0.00 C ATOM 481 CD1 LEU A 36 11.610 -7.804 -6.260 1.00 0.00 C ATOM 482 CD2 LEU A 36 13.651 -9.142 -6.952 1.00 0.00 C ATOM 0 H LEU A 36 13.144 -6.145 -9.262 1.00 0.00 H new ATOM 0 HA LEU A 36 11.331 -8.083 -10.616 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.889 -8.982 -8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.420 -9.420 -9.077 1.00 0.00 H new ATOM 0 HG LEU A 36 13.123 -7.196 -7.622 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.158 -7.472 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.931 -7.015 -6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.037 -8.698 -6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 36 14.158 -8.784 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.168 -10.095 -6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.379 -9.275 -7.752 1.00 0.00 H new ATOM 494 N GLY A 37 10.875 -5.578 -8.550 1.00 0.00 N ATOM 495 CA GLY A 37 9.920 -4.559 -8.149 1.00 0.00 C ATOM 496 C GLY A 37 9.703 -4.577 -6.634 1.00 0.00 C ATOM 497 O GLY A 37 10.663 -4.616 -5.867 1.00 0.00 O ATOM 0 H GLY A 37 11.799 -5.486 -8.128 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.280 -3.577 -8.457 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.971 -4.725 -8.658 1.00 0.00 H new ATOM 501 N ILE A 38 8.436 -4.548 -6.250 1.00 0.00 N ATOM 502 CA ILE A 38 8.081 -4.560 -4.841 1.00 0.00 C ATOM 503 C ILE A 38 7.150 -5.742 -4.564 1.00 0.00 C ATOM 504 O ILE A 38 6.077 -5.844 -5.157 1.00 0.00 O ATOM 505 CB ILE A 38 7.499 -3.208 -4.423 1.00 0.00 C ATOM 506 CG1 ILE A 38 8.538 -2.095 -4.570 1.00 0.00 C ATOM 507 CG2 ILE A 38 6.925 -3.273 -3.006 1.00 0.00 C ATOM 508 CD1 ILE A 38 9.811 -2.425 -3.788 1.00 0.00 C ATOM 0 H ILE A 38 7.642 -4.516 -6.890 1.00 0.00 H new ATOM 0 HA ILE A 38 8.970 -4.702 -4.226 1.00 0.00 H new ATOM 0 HB ILE A 38 6.674 -2.969 -5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.780 -1.956 -5.624 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.121 -1.154 -4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.518 -2.299 -2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.133 -4.021 -2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.715 -3.545 -2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.533 -1.617 -3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.569 -2.539 -2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.239 -3.354 -4.165 1.00 0.00 H new ATOM 520 N PHE A 39 7.594 -6.606 -3.663 1.00 0.00 N ATOM 521 CA PHE A 39 6.815 -7.777 -3.301 1.00 0.00 C ATOM 522 C PHE A 39 6.479 -7.772 -1.808 1.00 0.00 C ATOM 523 O PHE A 39 7.300 -7.370 -0.985 1.00 0.00 O ATOM 524 CB PHE A 39 7.676 -9.002 -3.613 1.00 0.00 C ATOM 525 CG PHE A 39 7.846 -9.278 -5.108 1.00 0.00 C ATOM 526 CD1 PHE A 39 8.520 -8.393 -5.891 1.00 0.00 C ATOM 527 CD2 PHE A 39 7.325 -10.409 -5.655 1.00 0.00 C ATOM 528 CE1 PHE A 39 8.678 -8.649 -7.278 1.00 0.00 C ATOM 529 CE2 PHE A 39 7.483 -10.665 -7.043 1.00 0.00 C ATOM 530 CZ PHE A 39 8.156 -9.780 -7.825 1.00 0.00 C ATOM 0 H PHE A 39 8.484 -6.518 -3.173 1.00 0.00 H new ATOM 0 HA PHE A 39 5.878 -7.786 -3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.660 -8.865 -3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.230 -9.877 -3.141 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.935 -7.495 -5.457 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.791 -11.113 -5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.213 -7.946 -7.899 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.068 -11.563 -7.477 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.276 -9.975 -8.880 1.00 0.00 H new ATOM 540 N VAL A 40 5.270 -8.222 -1.504 1.00 0.00 N ATOM 541 CA VAL A 40 4.816 -8.274 -0.125 1.00 0.00 C ATOM 542 C VAL A 40 5.410 -9.509 0.557 1.00 0.00 C ATOM 543 O VAL A 40 5.511 -10.571 -0.054 1.00 0.00 O ATOM 544 CB VAL A 40 3.287 -8.242 -0.077 1.00 0.00 C ATOM 545 CG1 VAL A 40 2.789 -7.962 1.343 1.00 0.00 C ATOM 546 CG2 VAL A 40 2.728 -7.218 -1.066 1.00 0.00 C ATOM 0 H VAL A 40 4.591 -8.554 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 40 5.164 -7.400 0.425 1.00 0.00 H new ATOM 0 HB VAL A 40 2.922 -9.226 -0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.699 -7.944 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.143 -8.745 2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.169 -6.997 1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.639 -7.216 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.106 -6.227 -0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.040 -7.481 -2.077 1.00 0.00 H new ATOM 556 N SER A 41 5.787 -9.327 1.814 1.00 0.00 N ATOM 557 CA SER A 41 6.368 -10.412 2.585 1.00 0.00 C ATOM 558 C SER A 41 5.507 -10.698 3.817 1.00 0.00 C ATOM 559 O SER A 41 5.128 -11.842 4.062 1.00 0.00 O ATOM 560 CB SER A 41 7.802 -10.083 3.005 1.00 0.00 C ATOM 561 OG SER A 41 7.943 -10.019 4.421 1.00 0.00 O ATOM 0 H SER A 41 5.701 -8.444 2.318 1.00 0.00 H new ATOM 0 HA SER A 41 6.397 -11.301 1.955 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.479 -10.839 2.607 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.098 -9.129 2.568 1.00 0.00 H new ATOM 0 HG SER A 41 8.873 -9.809 4.648 1.00 0.00 H new ATOM 567 N LYS A 42 5.224 -9.638 4.561 1.00 0.00 N ATOM 568 CA LYS A 42 4.415 -9.761 5.761 1.00 0.00 C ATOM 569 C LYS A 42 3.363 -8.650 5.778 1.00 0.00 C ATOM 570 O LYS A 42 3.477 -7.671 5.042 1.00 0.00 O ATOM 571 CB LYS A 42 5.304 -9.785 7.006 1.00 0.00 C ATOM 572 CG LYS A 42 4.588 -10.461 8.178 1.00 0.00 C ATOM 573 CD LYS A 42 4.271 -9.452 9.283 1.00 0.00 C ATOM 574 CE LYS A 42 3.908 -10.163 10.588 1.00 0.00 C ATOM 575 NZ LYS A 42 5.127 -10.458 11.374 1.00 0.00 N ATOM 0 H LYS A 42 5.541 -8.691 4.355 1.00 0.00 H new ATOM 0 HA LYS A 42 3.878 -10.709 5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.230 -10.316 6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.578 -8.767 7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.665 -10.923 7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.212 -11.260 8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.132 -8.803 9.446 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.445 -8.813 8.971 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.233 -9.539 11.173 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.376 -11.089 10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.863 -10.941 12.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.758 -11.071 10.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.618 -9.569 11.599 1.00 0.00 H new ATOM 589 N VAL A 43 2.362 -8.839 6.626 1.00 0.00 N ATOM 590 CA VAL A 43 1.291 -7.865 6.748 1.00 0.00 C ATOM 591 C VAL A 43 0.911 -7.714 8.222 1.00 0.00 C ATOM 592 O VAL A 43 0.304 -8.611 8.806 1.00 0.00 O ATOM 593 CB VAL A 43 0.110 -8.273 5.865 1.00 0.00 C ATOM 594 CG1 VAL A 43 -1.136 -7.452 6.202 1.00 0.00 C ATOM 595 CG2 VAL A 43 0.465 -8.147 4.382 1.00 0.00 C ATOM 0 H VAL A 43 2.271 -9.652 7.235 1.00 0.00 H new ATOM 0 HA VAL A 43 1.621 -6.888 6.395 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.114 -9.320 6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.961 -7.762 5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.407 -7.614 7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.929 -6.394 6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.392 -8.443 3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.728 -7.113 4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.312 -8.795 4.154 1.00 0.00 H new ATOM 605 N GLU A 44 1.283 -6.572 8.782 1.00 0.00 N ATOM 606 CA GLU A 44 0.989 -6.292 10.177 1.00 0.00 C ATOM 607 C GLU A 44 -0.406 -6.807 10.539 1.00 0.00 C ATOM 608 O GLU A 44 -1.283 -6.888 9.682 1.00 0.00 O ATOM 609 CB GLU A 44 1.115 -4.796 10.474 1.00 0.00 C ATOM 610 CG GLU A 44 1.942 -4.556 11.739 1.00 0.00 C ATOM 611 CD GLU A 44 1.132 -4.883 12.995 1.00 0.00 C ATOM 612 OE1 GLU A 44 -0.016 -4.395 13.072 1.00 0.00 O ATOM 613 OE2 GLU A 44 1.679 -5.615 13.848 1.00 0.00 O ATOM 0 H GLU A 44 1.785 -5.830 8.295 1.00 0.00 H new ATOM 0 HA GLU A 44 1.720 -6.815 10.794 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.583 -4.292 9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.123 -4.361 10.596 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.841 -5.171 11.712 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.268 -3.516 11.773 1.00 0.00 H new ATOM 620 N GLU A 45 -0.566 -7.142 11.811 1.00 0.00 N ATOM 621 CA GLU A 45 -1.839 -7.647 12.297 1.00 0.00 C ATOM 622 C GLU A 45 -2.778 -6.486 12.631 1.00 0.00 C ATOM 623 O GLU A 45 -2.329 -5.421 13.052 1.00 0.00 O ATOM 624 CB GLU A 45 -1.640 -8.557 13.511 1.00 0.00 C ATOM 625 CG GLU A 45 -1.148 -9.941 13.083 1.00 0.00 C ATOM 626 CD GLU A 45 0.234 -10.238 13.670 1.00 0.00 C ATOM 627 OE1 GLU A 45 1.207 -9.646 13.157 1.00 0.00 O ATOM 628 OE2 GLU A 45 0.284 -11.051 14.618 1.00 0.00 O ATOM 0 H GLU A 45 0.165 -7.074 12.520 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.296 -8.243 11.508 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.920 -8.106 14.194 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.579 -8.653 14.056 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.857 -10.701 13.411 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.104 -9.995 11.995 1.00 0.00 H new ATOM 635 N GLY A 46 -4.064 -6.731 12.432 1.00 0.00 N ATOM 636 CA GLY A 46 -5.071 -5.720 12.706 1.00 0.00 C ATOM 637 C GLY A 46 -4.651 -4.361 12.141 1.00 0.00 C ATOM 638 O GLY A 46 -4.944 -3.322 12.731 1.00 0.00 O ATOM 0 H GLY A 46 -4.433 -7.616 12.084 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.023 -6.021 12.268 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.226 -5.638 13.782 1.00 0.00 H new ATOM 642 N SER A 47 -3.972 -4.413 11.005 1.00 0.00 N ATOM 643 CA SER A 47 -3.509 -3.200 10.354 1.00 0.00 C ATOM 644 C SER A 47 -4.489 -2.790 9.252 1.00 0.00 C ATOM 645 O SER A 47 -5.480 -3.478 9.011 1.00 0.00 O ATOM 646 CB SER A 47 -2.106 -3.387 9.773 1.00 0.00 C ATOM 647 OG SER A 47 -2.067 -3.121 8.373 1.00 0.00 O ATOM 0 H SER A 47 -3.731 -5.277 10.519 1.00 0.00 H new ATOM 0 HA SER A 47 -3.461 -2.408 11.102 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.410 -2.725 10.287 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.770 -4.408 9.957 1.00 0.00 H new ATOM 0 HG SER A 47 -2.355 -3.918 7.880 1.00 0.00 H new ATOM 653 N SER A 48 -4.178 -1.672 8.613 1.00 0.00 N ATOM 654 CA SER A 48 -5.018 -1.163 7.543 1.00 0.00 C ATOM 655 C SER A 48 -4.828 -2.007 6.281 1.00 0.00 C ATOM 656 O SER A 48 -5.745 -2.134 5.472 1.00 0.00 O ATOM 657 CB SER A 48 -4.709 0.307 7.251 1.00 0.00 C ATOM 658 OG SER A 48 -5.605 1.186 7.925 1.00 0.00 O ATOM 0 H SER A 48 -3.355 -1.104 8.816 1.00 0.00 H new ATOM 0 HA SER A 48 -6.058 -1.230 7.864 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.686 0.529 7.555 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.768 0.483 6.177 1.00 0.00 H new ATOM 0 HG SER A 48 -5.373 2.114 7.714 1.00 0.00 H new ATOM 664 N ALA A 49 -3.631 -2.561 6.154 1.00 0.00 N ATOM 665 CA ALA A 49 -3.309 -3.389 5.004 1.00 0.00 C ATOM 666 C ALA A 49 -4.194 -4.636 5.015 1.00 0.00 C ATOM 667 O ALA A 49 -4.911 -4.902 4.051 1.00 0.00 O ATOM 668 CB ALA A 49 -1.818 -3.732 5.024 1.00 0.00 C ATOM 0 H ALA A 49 -2.873 -2.453 6.828 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.508 -2.852 4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.576 -4.353 4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.233 -2.813 4.985 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.582 -4.274 5.939 1.00 0.00 H new ATOM 674 N GLU A 50 -4.117 -5.368 6.116 1.00 0.00 N ATOM 675 CA GLU A 50 -4.902 -6.582 6.265 1.00 0.00 C ATOM 676 C GLU A 50 -6.379 -6.296 5.983 1.00 0.00 C ATOM 677 O GLU A 50 -7.090 -7.149 5.453 1.00 0.00 O ATOM 678 CB GLU A 50 -4.718 -7.187 7.658 1.00 0.00 C ATOM 679 CG GLU A 50 -4.426 -8.686 7.571 1.00 0.00 C ATOM 680 CD GLU A 50 -5.433 -9.490 8.396 1.00 0.00 C ATOM 681 OE1 GLU A 50 -5.163 -9.668 9.604 1.00 0.00 O ATOM 682 OE2 GLU A 50 -6.449 -9.908 7.802 1.00 0.00 O ATOM 0 H GLU A 50 -3.523 -5.144 6.914 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.547 -7.312 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.900 -6.683 8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.617 -7.022 8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.464 -9.008 6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.416 -8.885 7.929 1.00 0.00 H new ATOM 689 N ARG A 51 -6.796 -5.093 6.348 1.00 0.00 N ATOM 690 CA ARG A 51 -8.175 -4.684 6.140 1.00 0.00 C ATOM 691 C ARG A 51 -8.376 -4.206 4.701 1.00 0.00 C ATOM 692 O ARG A 51 -9.433 -4.428 4.111 1.00 0.00 O ATOM 693 CB ARG A 51 -8.567 -3.560 7.102 1.00 0.00 C ATOM 694 CG ARG A 51 -8.869 -4.113 8.497 1.00 0.00 C ATOM 695 CD ARG A 51 -10.006 -3.334 9.161 1.00 0.00 C ATOM 696 NE ARG A 51 -10.139 -3.741 10.578 1.00 0.00 N ATOM 697 CZ ARG A 51 -11.004 -3.191 11.440 1.00 0.00 C ATOM 698 NH1 ARG A 51 -11.819 -2.207 11.035 1.00 0.00 N ATOM 699 NH2 ARG A 51 -11.055 -3.624 12.707 1.00 0.00 N ATOM 0 H ARG A 51 -6.203 -4.388 6.787 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.810 -5.549 6.331 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.759 -2.830 7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.442 -3.036 6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.139 -5.166 8.424 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.974 -4.056 9.116 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.809 -2.264 9.098 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.941 -3.518 8.632 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.534 -4.488 10.920 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.780 -1.877 10.071 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.478 -1.788 11.691 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.435 -4.373 13.015 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.714 -3.205 13.363 1.00 0.00 H new ATOM 713 N ALA A 52 -7.345 -3.560 4.176 1.00 0.00 N ATOM 714 CA ALA A 52 -7.395 -3.050 2.816 1.00 0.00 C ATOM 715 C ALA A 52 -7.523 -4.222 1.841 1.00 0.00 C ATOM 716 O ALA A 52 -7.991 -4.050 0.716 1.00 0.00 O ATOM 717 CB ALA A 52 -6.154 -2.198 2.545 1.00 0.00 C ATOM 0 H ALA A 52 -6.470 -3.378 4.668 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.266 -2.410 2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.191 -1.815 1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.126 -1.363 3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.259 -2.808 2.671 1.00 0.00 H new ATOM 723 N GLY A 53 -7.099 -5.387 2.307 1.00 0.00 N ATOM 724 CA GLY A 53 -7.160 -6.587 1.489 1.00 0.00 C ATOM 725 C GLY A 53 -5.758 -7.129 1.205 1.00 0.00 C ATOM 726 O GLY A 53 -5.609 -8.207 0.632 1.00 0.00 O ATOM 0 H GLY A 53 -6.712 -5.526 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.752 -7.348 1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.665 -6.365 0.549 1.00 0.00 H new ATOM 730 N LEU A 54 -4.764 -6.356 1.619 1.00 0.00 N ATOM 731 CA LEU A 54 -3.379 -6.745 1.416 1.00 0.00 C ATOM 732 C LEU A 54 -3.022 -7.871 2.388 1.00 0.00 C ATOM 733 O LEU A 54 -3.273 -7.764 3.587 1.00 0.00 O ATOM 734 CB LEU A 54 -2.459 -5.526 1.523 1.00 0.00 C ATOM 735 CG LEU A 54 -1.025 -5.724 1.028 1.00 0.00 C ATOM 736 CD1 LEU A 54 -1.002 -6.096 -0.455 1.00 0.00 C ATOM 737 CD2 LEU A 54 -0.169 -4.490 1.323 1.00 0.00 C ATOM 0 H LEU A 54 -4.891 -5.462 2.094 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.237 -7.136 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.907 -4.707 0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.422 -5.213 2.567 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.587 -6.559 1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.030 -6.231 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.554 -7.024 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.465 -5.299 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.846 -4.656 0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.596 -3.622 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.146 -4.311 2.398 1.00 0.00 H new ATOM 749 N CYS A 55 -2.443 -8.926 1.834 1.00 0.00 N ATOM 750 CA CYS A 55 -2.049 -10.072 2.636 1.00 0.00 C ATOM 751 C CYS A 55 -0.705 -10.583 2.116 1.00 0.00 C ATOM 752 O CYS A 55 -0.138 -10.014 1.185 1.00 0.00 O ATOM 753 CB CYS A 55 -3.119 -11.165 2.625 1.00 0.00 C ATOM 754 SG CYS A 55 -4.033 -11.164 4.210 1.00 0.00 S ATOM 0 H CYS A 55 -2.237 -9.011 0.839 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.943 -9.770 3.678 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -3.809 -11.001 1.798 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.655 -12.138 2.464 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.940 -12.095 4.188 1.00 0.00 H new ATOM 760 N VAL A 56 -0.233 -11.652 2.741 1.00 0.00 N ATOM 761 CA VAL A 56 1.035 -12.247 2.353 1.00 0.00 C ATOM 762 C VAL A 56 0.820 -13.143 1.131 1.00 0.00 C ATOM 763 O VAL A 56 -0.179 -13.856 1.047 1.00 0.00 O ATOM 764 CB VAL A 56 1.648 -12.993 3.540 1.00 0.00 C ATOM 765 CG1 VAL A 56 2.687 -14.012 3.069 1.00 0.00 C ATOM 766 CG2 VAL A 56 2.257 -12.014 4.546 1.00 0.00 C ATOM 0 H VAL A 56 -0.706 -12.121 3.513 1.00 0.00 H new ATOM 0 HA VAL A 56 1.749 -11.474 2.068 1.00 0.00 H new ATOM 0 HB VAL A 56 0.849 -13.538 4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.107 -14.528 3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.212 -14.737 2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.483 -13.498 2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.686 -12.569 5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.038 -11.430 4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.481 -11.344 4.917 1.00 0.00 H new ATOM 776 N GLY A 57 1.773 -13.077 0.213 1.00 0.00 N ATOM 777 CA GLY A 57 1.701 -13.873 -1.000 1.00 0.00 C ATOM 778 C GLY A 57 1.193 -13.035 -2.175 1.00 0.00 C ATOM 779 O GLY A 57 0.401 -13.513 -2.986 1.00 0.00 O ATOM 0 H GLY A 57 2.600 -12.484 0.285 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.687 -14.275 -1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.039 -14.724 -0.842 1.00 0.00 H new ATOM 783 N ASP A 58 1.670 -11.800 -2.231 1.00 0.00 N ATOM 784 CA ASP A 58 1.274 -10.892 -3.293 1.00 0.00 C ATOM 785 C ASP A 58 2.459 -9.997 -3.662 1.00 0.00 C ATOM 786 O ASP A 58 3.354 -9.779 -2.846 1.00 0.00 O ATOM 787 CB ASP A 58 0.122 -9.990 -2.846 1.00 0.00 C ATOM 788 CG ASP A 58 -1.269 -10.453 -3.283 1.00 0.00 C ATOM 789 OD1 ASP A 58 -1.324 -11.430 -4.061 1.00 0.00 O ATOM 790 OD2 ASP A 58 -2.247 -9.821 -2.829 1.00 0.00 O ATOM 0 H ASP A 58 2.327 -11.407 -1.557 1.00 0.00 H new ATOM 0 HA ASP A 58 0.953 -11.491 -4.146 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.139 -9.917 -1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.294 -8.987 -3.236 1.00 0.00 H new ATOM 795 N LYS A 59 2.427 -9.503 -4.891 1.00 0.00 N ATOM 796 CA LYS A 59 3.488 -8.638 -5.377 1.00 0.00 C ATOM 797 C LYS A 59 2.873 -7.363 -5.959 1.00 0.00 C ATOM 798 O LYS A 59 2.082 -7.424 -6.899 1.00 0.00 O ATOM 799 CB LYS A 59 4.386 -9.391 -6.360 1.00 0.00 C ATOM 800 CG LYS A 59 5.293 -8.425 -7.125 1.00 0.00 C ATOM 801 CD LYS A 59 5.079 -8.551 -8.635 1.00 0.00 C ATOM 802 CE LYS A 59 6.004 -7.603 -9.401 1.00 0.00 C ATOM 803 NZ LYS A 59 6.263 -8.120 -10.763 1.00 0.00 N ATOM 0 H LYS A 59 1.683 -9.685 -5.565 1.00 0.00 H new ATOM 0 HA LYS A 59 4.138 -8.334 -4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.995 -10.116 -5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.771 -9.952 -7.063 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.089 -7.402 -6.809 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.336 -8.631 -6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.265 -9.578 -8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.040 -8.327 -8.879 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.551 -6.613 -9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.945 -7.491 -8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.892 -7.465 -11.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.715 -9.055 -10.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.364 -8.205 -11.279 1.00 0.00 H new ATOM 817 N ILE A 60 3.260 -6.238 -5.375 1.00 0.00 N ATOM 818 CA ILE A 60 2.757 -4.951 -5.824 1.00 0.00 C ATOM 819 C ILE A 60 3.481 -4.545 -7.109 1.00 0.00 C ATOM 820 O ILE A 60 4.688 -4.307 -7.097 1.00 0.00 O ATOM 821 CB ILE A 60 2.864 -3.914 -4.704 1.00 0.00 C ATOM 822 CG1 ILE A 60 1.990 -4.304 -3.510 1.00 0.00 C ATOM 823 CG2 ILE A 60 2.535 -2.512 -5.222 1.00 0.00 C ATOM 824 CD1 ILE A 60 2.735 -4.088 -2.192 1.00 0.00 C ATOM 0 H ILE A 60 3.916 -6.191 -4.595 1.00 0.00 H new ATOM 0 HA ILE A 60 1.696 -5.019 -6.064 1.00 0.00 H new ATOM 0 HB ILE A 60 3.896 -3.894 -4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.075 -3.712 -3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.694 -5.349 -3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.618 -1.794 -4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.234 -2.244 -6.015 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.518 -2.499 -5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.092 -4.373 -1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.637 -4.700 -2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.008 -3.037 -2.096 1.00 0.00 H new ATOM 836 N THR A 61 2.714 -4.479 -8.187 1.00 0.00 N ATOM 837 CA THR A 61 3.267 -4.106 -9.478 1.00 0.00 C ATOM 838 C THR A 61 3.134 -2.598 -9.700 1.00 0.00 C ATOM 839 O THR A 61 3.968 -1.989 -10.368 1.00 0.00 O ATOM 840 CB THR A 61 2.567 -4.941 -10.552 1.00 0.00 C ATOM 841 OG1 THR A 61 1.204 -4.532 -10.477 1.00 0.00 O ATOM 842 CG2 THR A 61 2.529 -6.430 -10.202 1.00 0.00 C ATOM 0 H THR A 61 1.714 -4.678 -8.193 1.00 0.00 H new ATOM 0 HA THR A 61 4.335 -4.317 -9.526 1.00 0.00 H new ATOM 0 HB THR A 61 3.075 -4.805 -11.506 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.794 -4.905 -9.669 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.022 -6.978 -10.996 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.547 -6.805 -10.096 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.991 -6.570 -9.264 1.00 0.00 H new ATOM 850 N GLU A 62 2.079 -2.038 -9.126 1.00 0.00 N ATOM 851 CA GLU A 62 1.826 -0.613 -9.252 1.00 0.00 C ATOM 852 C GLU A 62 1.039 -0.104 -8.043 1.00 0.00 C ATOM 853 O GLU A 62 0.342 -0.874 -7.383 1.00 0.00 O ATOM 854 CB GLU A 62 1.090 -0.300 -10.557 1.00 0.00 C ATOM 855 CG GLU A 62 0.539 1.127 -10.547 1.00 0.00 C ATOM 856 CD GLU A 62 -0.021 1.508 -11.919 1.00 0.00 C ATOM 857 OE1 GLU A 62 0.762 1.438 -12.891 1.00 0.00 O ATOM 858 OE2 GLU A 62 -1.219 1.860 -11.964 1.00 0.00 O ATOM 0 H GLU A 62 1.389 -2.546 -8.572 1.00 0.00 H new ATOM 0 HA GLU A 62 2.785 -0.095 -9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.769 -0.426 -11.401 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.273 -1.008 -10.697 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.244 1.213 -9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.329 1.824 -10.266 1.00 0.00 H new ATOM 865 N VAL A 63 1.177 1.189 -7.789 1.00 0.00 N ATOM 866 CA VAL A 63 0.487 1.809 -6.670 1.00 0.00 C ATOM 867 C VAL A 63 0.329 3.307 -6.942 1.00 0.00 C ATOM 868 O VAL A 63 1.211 3.931 -7.529 1.00 0.00 O ATOM 869 CB VAL A 63 1.232 1.513 -5.367 1.00 0.00 C ATOM 870 CG1 VAL A 63 2.746 1.604 -5.568 1.00 0.00 C ATOM 871 CG2 VAL A 63 0.770 2.448 -4.247 1.00 0.00 C ATOM 0 H VAL A 63 1.756 1.824 -8.338 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.513 1.391 -6.558 1.00 0.00 H new ATOM 0 HB VAL A 63 0.995 0.491 -5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.252 1.389 -4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.057 0.880 -6.321 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.009 2.608 -5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.315 2.217 -3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.964 3.482 -4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.298 2.312 -4.077 1.00 0.00 H new ATOM 881 N ASN A 64 -0.802 3.839 -6.501 1.00 0.00 N ATOM 882 CA ASN A 64 -1.087 5.251 -6.689 1.00 0.00 C ATOM 883 C ASN A 64 -0.796 5.637 -8.141 1.00 0.00 C ATOM 884 O ASN A 64 -0.519 6.799 -8.435 1.00 0.00 O ATOM 885 CB ASN A 64 -0.207 6.116 -5.785 1.00 0.00 C ATOM 886 CG ASN A 64 -1.045 7.152 -5.033 1.00 0.00 C ATOM 887 OD1 ASN A 64 -1.424 8.184 -5.562 1.00 0.00 O ATOM 888 ND2 ASN A 64 -1.312 6.821 -3.773 1.00 0.00 N ATOM 0 H ASN A 64 -1.531 3.318 -6.014 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.135 5.419 -6.440 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.321 5.483 -5.072 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.550 6.621 -6.384 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.865 7.447 -3.187 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.964 5.941 -3.392 1.00 0.00 H new ATOM 895 N GLY A 65 -0.869 4.640 -9.011 1.00 0.00 N ATOM 896 CA GLY A 65 -0.617 4.861 -10.425 1.00 0.00 C ATOM 897 C GLY A 65 0.866 4.673 -10.753 1.00 0.00 C ATOM 898 O GLY A 65 1.211 4.209 -11.839 1.00 0.00 O ATOM 0 H GLY A 65 -1.099 3.677 -8.764 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.215 4.168 -11.017 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.929 5.868 -10.701 1.00 0.00 H new ATOM 902 N LEU A 66 1.703 5.043 -9.795 1.00 0.00 N ATOM 903 CA LEU A 66 3.140 4.921 -9.968 1.00 0.00 C ATOM 904 C LEU A 66 3.510 3.442 -10.099 1.00 0.00 C ATOM 905 O LEU A 66 3.190 2.638 -9.225 1.00 0.00 O ATOM 906 CB LEU A 66 3.879 5.642 -8.839 1.00 0.00 C ATOM 907 CG LEU A 66 4.006 7.160 -8.983 1.00 0.00 C ATOM 908 CD1 LEU A 66 5.308 7.536 -9.693 1.00 0.00 C ATOM 909 CD2 LEU A 66 2.780 7.749 -9.683 1.00 0.00 C ATOM 0 H LEU A 66 1.413 5.428 -8.896 1.00 0.00 H new ATOM 0 HA LEU A 66 3.456 5.412 -10.889 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.367 5.427 -7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.881 5.219 -8.759 1.00 0.00 H new ATOM 0 HG LEU A 66 4.046 7.596 -7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.374 8.620 -9.783 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.156 7.168 -9.116 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.323 7.088 -10.687 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.896 8.829 -9.772 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.683 7.311 -10.676 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.886 7.527 -9.100 1.00 0.00 H new ATOM 921 N SER A 67 4.179 3.127 -11.199 1.00 0.00 N ATOM 922 CA SER A 67 4.596 1.759 -11.455 1.00 0.00 C ATOM 923 C SER A 67 5.859 1.438 -10.653 1.00 0.00 C ATOM 924 O SER A 67 6.816 2.210 -10.660 1.00 0.00 O ATOM 925 CB SER A 67 4.843 1.530 -12.948 1.00 0.00 C ATOM 926 OG SER A 67 5.055 2.752 -13.648 1.00 0.00 O ATOM 0 H SER A 67 4.442 3.796 -11.923 1.00 0.00 H new ATOM 0 HA SER A 67 3.794 1.092 -11.140 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.711 0.883 -13.077 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.990 1.008 -13.381 1.00 0.00 H new ATOM 0 HG SER A 67 5.211 2.563 -14.597 1.00 0.00 H new ATOM 932 N LEU A 68 5.819 0.297 -9.981 1.00 0.00 N ATOM 933 CA LEU A 68 6.948 -0.136 -9.175 1.00 0.00 C ATOM 934 C LEU A 68 7.523 -1.427 -9.763 1.00 0.00 C ATOM 935 O LEU A 68 7.846 -2.358 -9.027 1.00 0.00 O ATOM 936 CB LEU A 68 6.543 -0.257 -7.705 1.00 0.00 C ATOM 937 CG LEU A 68 5.644 0.856 -7.164 1.00 0.00 C ATOM 938 CD1 LEU A 68 5.415 0.693 -5.660 1.00 0.00 C ATOM 939 CD2 LEU A 68 6.209 2.235 -7.511 1.00 0.00 C ATOM 0 H LEU A 68 5.023 -0.341 -9.978 1.00 0.00 H new ATOM 0 HA LEU A 68 7.743 0.609 -9.202 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.032 -1.210 -7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.449 -0.291 -7.100 1.00 0.00 H new ATOM 0 HG LEU A 68 4.671 0.775 -7.649 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.773 1.497 -5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.937 -0.267 -5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.372 0.733 -5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.551 3.008 -7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.201 2.343 -7.072 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.279 2.338 -8.594 1.00 0.00 H new ATOM 951 N GLU A 69 7.634 -1.441 -11.083 1.00 0.00 N ATOM 952 CA GLU A 69 8.164 -2.602 -11.778 1.00 0.00 C ATOM 953 C GLU A 69 9.680 -2.477 -11.939 1.00 0.00 C ATOM 954 O GLU A 69 10.355 -3.451 -12.267 1.00 0.00 O ATOM 955 CB GLU A 69 7.481 -2.788 -13.134 1.00 0.00 C ATOM 956 CG GLU A 69 6.286 -3.735 -13.021 1.00 0.00 C ATOM 957 CD GLU A 69 6.057 -4.490 -14.332 1.00 0.00 C ATOM 958 OE1 GLU A 69 6.129 -3.826 -15.389 1.00 0.00 O ATOM 959 OE2 GLU A 69 5.816 -5.713 -14.249 1.00 0.00 O ATOM 0 H GLU A 69 7.366 -0.666 -11.690 1.00 0.00 H new ATOM 0 HA GLU A 69 7.954 -3.488 -11.179 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.149 -1.822 -13.513 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.197 -3.184 -13.854 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.457 -4.446 -12.213 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.392 -3.168 -12.763 1.00 0.00 H new ATOM 966 N SER A 70 10.171 -1.269 -11.701 1.00 0.00 N ATOM 967 CA SER A 70 11.595 -1.005 -11.816 1.00 0.00 C ATOM 968 C SER A 70 11.968 0.222 -10.982 1.00 0.00 C ATOM 969 O SER A 70 12.743 1.068 -11.427 1.00 0.00 O ATOM 970 CB SER A 70 12.001 -0.796 -13.277 1.00 0.00 C ATOM 971 OG SER A 70 13.209 -1.479 -13.598 1.00 0.00 O ATOM 0 H SER A 70 9.608 -0.463 -11.429 1.00 0.00 H new ATOM 0 HA SER A 70 12.135 -1.873 -11.437 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.202 -1.147 -13.929 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.125 0.270 -13.470 1.00 0.00 H new ATOM 0 HG SER A 70 13.433 -1.322 -14.539 1.00 0.00 H new ATOM 977 N THR A 71 11.400 0.280 -9.786 1.00 0.00 N ATOM 978 CA THR A 71 11.664 1.390 -8.886 1.00 0.00 C ATOM 979 C THR A 71 12.305 0.885 -7.592 1.00 0.00 C ATOM 980 O THR A 71 12.203 -0.296 -7.263 1.00 0.00 O ATOM 981 CB THR A 71 10.349 2.138 -8.660 1.00 0.00 C ATOM 982 OG1 THR A 71 10.377 3.188 -9.623 1.00 0.00 O ATOM 983 CG2 THR A 71 10.312 2.867 -7.315 1.00 0.00 C ATOM 0 H THR A 71 10.758 -0.423 -9.420 1.00 0.00 H new ATOM 0 HA THR A 71 12.382 2.088 -9.318 1.00 0.00 H new ATOM 0 HB THR A 71 9.518 1.434 -8.714 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.559 3.723 -9.548 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.357 3.381 -7.206 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.430 2.145 -6.507 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.123 3.595 -7.273 1.00 0.00 H new ATOM 991 N THR A 72 12.953 1.805 -6.892 1.00 0.00 N ATOM 992 CA THR A 72 13.611 1.469 -5.641 1.00 0.00 C ATOM 993 C THR A 72 12.593 1.412 -4.501 1.00 0.00 C ATOM 994 O THR A 72 11.522 2.011 -4.590 1.00 0.00 O ATOM 995 CB THR A 72 14.730 2.486 -5.407 1.00 0.00 C ATOM 996 OG1 THR A 72 15.166 2.222 -4.076 1.00 0.00 O ATOM 997 CG2 THR A 72 14.211 3.924 -5.351 1.00 0.00 C ATOM 0 H THR A 72 13.036 2.783 -7.168 1.00 0.00 H new ATOM 0 HA THR A 72 14.059 0.476 -5.684 1.00 0.00 H new ATOM 0 HB THR A 72 15.472 2.399 -6.200 1.00 0.00 H new ATOM 0 HG1 THR A 72 15.893 2.836 -3.842 1.00 0.00 H new ATOM 0 HG21 THR A 72 15.045 4.606 -5.183 1.00 0.00 H new ATOM 0 HG22 THR A 72 13.724 4.172 -6.294 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.494 4.021 -4.536 1.00 0.00 H new ATOM 1005 N MET A 73 12.962 0.686 -3.456 1.00 0.00 N ATOM 1006 CA MET A 73 12.094 0.543 -2.300 1.00 0.00 C ATOM 1007 C MET A 73 11.780 1.906 -1.678 1.00 0.00 C ATOM 1008 O MET A 73 10.615 2.277 -1.543 1.00 0.00 O ATOM 1009 CB MET A 73 12.773 -0.349 -1.258 1.00 0.00 C ATOM 1010 CG MET A 73 11.876 -0.541 -0.033 1.00 0.00 C ATOM 1011 SD MET A 73 10.433 -1.493 -0.477 1.00 0.00 S ATOM 1012 CE MET A 73 10.875 -3.073 0.228 1.00 0.00 C ATOM 0 H MET A 73 13.851 0.190 -3.386 1.00 0.00 H new ATOM 0 HA MET A 73 11.158 0.089 -2.626 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.005 -1.318 -1.699 1.00 0.00 H new ATOM 0 HB3 MET A 73 13.720 0.097 -0.954 1.00 0.00 H new ATOM 0 HG2 MET A 73 12.429 -1.050 0.757 1.00 0.00 H new ATOM 0 HG3 MET A 73 11.574 0.429 0.363 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.420 -3.872 -0.357 1.00 0.00 H new ATOM 0 HE2 MET A 73 11.959 -3.186 0.216 1.00 0.00 H new ATOM 0 HE3 MET A 73 10.516 -3.126 1.256 1.00 0.00 H new ATOM 1022 N GLY A 74 12.840 2.614 -1.317 1.00 0.00 N ATOM 1023 CA GLY A 74 12.692 3.927 -0.713 1.00 0.00 C ATOM 1024 C GLY A 74 11.551 4.707 -1.369 1.00 0.00 C ATOM 1025 O GLY A 74 10.511 4.929 -0.752 1.00 0.00 O ATOM 0 H GLY A 74 13.805 2.303 -1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.498 3.820 0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.623 4.484 -0.813 1.00 0.00 H new ATOM 1029 N SER A 75 11.785 5.102 -2.612 1.00 0.00 N ATOM 1030 CA SER A 75 10.790 5.853 -3.358 1.00 0.00 C ATOM 1031 C SER A 75 9.395 5.285 -3.088 1.00 0.00 C ATOM 1032 O SER A 75 8.483 6.022 -2.715 1.00 0.00 O ATOM 1033 CB SER A 75 11.092 5.828 -4.858 1.00 0.00 C ATOM 1034 OG SER A 75 12.168 6.696 -5.201 1.00 0.00 O ATOM 0 H SER A 75 12.649 4.916 -3.121 1.00 0.00 H new ATOM 0 HA SER A 75 10.824 6.890 -3.025 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.337 4.810 -5.161 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.200 6.120 -5.412 1.00 0.00 H new ATOM 0 HG SER A 75 12.330 6.650 -6.166 1.00 0.00 H new ATOM 1040 N ALA A 76 9.273 3.981 -3.286 1.00 0.00 N ATOM 1041 CA ALA A 76 8.005 3.306 -3.068 1.00 0.00 C ATOM 1042 C ALA A 76 7.523 3.583 -1.642 1.00 0.00 C ATOM 1043 O ALA A 76 6.398 4.037 -1.441 1.00 0.00 O ATOM 1044 CB ALA A 76 8.167 1.811 -3.349 1.00 0.00 C ATOM 0 H ALA A 76 10.032 3.374 -3.595 1.00 0.00 H new ATOM 0 HA ALA A 76 7.246 3.685 -3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.216 1.305 -3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.482 1.667 -4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.919 1.394 -2.679 1.00 0.00 H new ATOM 1050 N VAL A 77 8.399 3.297 -0.690 1.00 0.00 N ATOM 1051 CA VAL A 77 8.077 3.509 0.711 1.00 0.00 C ATOM 1052 C VAL A 77 7.507 4.917 0.891 1.00 0.00 C ATOM 1053 O VAL A 77 6.407 5.083 1.415 1.00 0.00 O ATOM 1054 CB VAL A 77 9.312 3.248 1.576 1.00 0.00 C ATOM 1055 CG1 VAL A 77 9.045 3.616 3.037 1.00 0.00 C ATOM 1056 CG2 VAL A 77 9.771 1.794 1.453 1.00 0.00 C ATOM 0 H VAL A 77 9.331 2.920 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 77 7.312 2.805 1.039 1.00 0.00 H new ATOM 0 HB VAL A 77 10.117 3.885 1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.938 3.421 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.788 4.673 3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.218 3.016 3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.650 1.636 2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.970 1.131 1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.021 1.578 0.414 1.00 0.00 H new ATOM 1066 N LYS A 78 8.282 5.896 0.447 1.00 0.00 N ATOM 1067 CA LYS A 78 7.868 7.284 0.552 1.00 0.00 C ATOM 1068 C LYS A 78 6.403 7.409 0.129 1.00 0.00 C ATOM 1069 O LYS A 78 5.533 7.670 0.958 1.00 0.00 O ATOM 1070 CB LYS A 78 8.816 8.188 -0.239 1.00 0.00 C ATOM 1071 CG LYS A 78 9.387 9.295 0.649 1.00 0.00 C ATOM 1072 CD LYS A 78 10.022 10.402 -0.195 1.00 0.00 C ATOM 1073 CE LYS A 78 10.834 11.360 0.679 1.00 0.00 C ATOM 1074 NZ LYS A 78 11.957 11.939 -0.091 1.00 0.00 N ATOM 0 H LYS A 78 9.195 5.755 0.014 1.00 0.00 H new ATOM 0 HA LYS A 78 7.931 7.622 1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.630 7.593 -0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.284 8.631 -1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.594 9.714 1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.132 8.876 1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.668 9.960 -0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.244 10.955 -0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.190 12.158 1.050 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.218 10.830 1.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.498 12.587 0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.580 11.176 -0.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.584 12.462 -0.909 1.00 0.00 H new ATOM 1088 N VAL A 79 6.175 7.216 -1.162 1.00 0.00 N ATOM 1089 CA VAL A 79 4.831 7.304 -1.706 1.00 0.00 C ATOM 1090 C VAL A 79 3.898 6.402 -0.895 1.00 0.00 C ATOM 1091 O VAL A 79 2.758 6.772 -0.616 1.00 0.00 O ATOM 1092 CB VAL A 79 4.846 6.962 -3.197 1.00 0.00 C ATOM 1093 CG1 VAL A 79 3.467 7.178 -3.823 1.00 0.00 C ATOM 1094 CG2 VAL A 79 5.915 7.771 -3.934 1.00 0.00 C ATOM 0 H VAL A 79 6.899 6.999 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 79 4.452 8.323 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 79 5.097 5.906 -3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.505 6.928 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.737 6.539 -3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.174 8.222 -3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.905 7.509 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.708 8.835 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.895 7.546 -3.514 1.00 0.00 H new ATOM 1104 N LEU A 80 4.416 5.235 -0.540 1.00 0.00 N ATOM 1105 CA LEU A 80 3.643 4.278 0.233 1.00 0.00 C ATOM 1106 C LEU A 80 3.256 4.905 1.574 1.00 0.00 C ATOM 1107 O LEU A 80 2.213 4.577 2.138 1.00 0.00 O ATOM 1108 CB LEU A 80 4.407 2.959 0.368 1.00 0.00 C ATOM 1109 CG LEU A 80 4.137 1.913 -0.716 1.00 0.00 C ATOM 1110 CD1 LEU A 80 4.783 0.573 -0.359 1.00 0.00 C ATOM 1111 CD2 LEU A 80 2.636 1.773 -0.981 1.00 0.00 C ATOM 0 H LEU A 80 5.361 4.931 -0.773 1.00 0.00 H new ATOM 0 HA LEU A 80 2.715 4.032 -0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.474 3.179 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.166 2.520 1.336 1.00 0.00 H new ATOM 0 HG LEU A 80 4.598 2.255 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.576 -0.152 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.861 0.703 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.374 0.212 0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.472 1.024 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.132 1.465 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.234 2.731 -1.312 1.00 0.00 H new ATOM 1123 N THR A 81 4.117 5.795 2.045 1.00 0.00 N ATOM 1124 CA THR A 81 3.878 6.471 3.308 1.00 0.00 C ATOM 1125 C THR A 81 3.457 7.922 3.066 1.00 0.00 C ATOM 1126 O THR A 81 3.311 8.695 4.011 1.00 0.00 O ATOM 1127 CB THR A 81 5.142 6.339 4.161 1.00 0.00 C ATOM 1128 OG1 THR A 81 4.801 6.979 5.388 1.00 0.00 O ATOM 1129 CG2 THR A 81 6.304 7.173 3.617 1.00 0.00 C ATOM 0 H THR A 81 4.981 6.063 1.574 1.00 0.00 H new ATOM 0 HA THR A 81 3.052 6.013 3.852 1.00 0.00 H new ATOM 0 HB THR A 81 5.439 5.291 4.211 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.020 7.555 5.251 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.176 7.044 4.258 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.545 6.845 2.606 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.020 8.225 3.599 1.00 0.00 H new ATOM 1137 N SER A 82 3.273 8.246 1.795 1.00 0.00 N ATOM 1138 CA SER A 82 2.871 9.590 1.417 1.00 0.00 C ATOM 1139 C SER A 82 1.524 9.550 0.692 1.00 0.00 C ATOM 1140 O SER A 82 1.477 9.524 -0.537 1.00 0.00 O ATOM 1141 CB SER A 82 3.929 10.253 0.532 1.00 0.00 C ATOM 1142 OG SER A 82 4.778 11.123 1.277 1.00 0.00 O ATOM 0 H SER A 82 3.395 7.601 1.014 1.00 0.00 H new ATOM 0 HA SER A 82 2.770 10.184 2.325 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.532 9.484 0.049 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.437 10.817 -0.261 1.00 0.00 H new ATOM 0 HG SER A 82 5.441 11.526 0.678 1.00 0.00 H new ATOM 1148 N SER A 83 0.462 9.545 1.484 1.00 0.00 N ATOM 1149 CA SER A 83 -0.882 9.507 0.934 1.00 0.00 C ATOM 1150 C SER A 83 -1.870 9.027 1.998 1.00 0.00 C ATOM 1151 O SER A 83 -1.484 8.346 2.947 1.00 0.00 O ATOM 1152 CB SER A 83 -0.948 8.603 -0.299 1.00 0.00 C ATOM 1153 OG SER A 83 -2.252 8.064 -0.497 1.00 0.00 O ATOM 0 H SER A 83 0.505 9.567 2.503 1.00 0.00 H new ATOM 0 HA SER A 83 -1.153 10.517 0.625 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.653 9.171 -1.181 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.232 7.789 -0.190 1.00 0.00 H new ATOM 0 HG SER A 83 -2.799 8.706 -0.996 1.00 0.00 H new ATOM 1159 N SER A 84 -3.127 9.400 1.805 1.00 0.00 N ATOM 1160 CA SER A 84 -4.173 9.016 2.736 1.00 0.00 C ATOM 1161 C SER A 84 -5.025 7.896 2.134 1.00 0.00 C ATOM 1162 O SER A 84 -5.911 7.359 2.798 1.00 0.00 O ATOM 1163 CB SER A 84 -5.053 10.213 3.102 1.00 0.00 C ATOM 1164 OG SER A 84 -6.137 9.841 3.949 1.00 0.00 O ATOM 0 H SER A 84 -3.444 9.964 1.017 1.00 0.00 H new ATOM 0 HA SER A 84 -3.701 8.654 3.649 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.447 10.969 3.601 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.444 10.667 2.191 1.00 0.00 H new ATOM 0 HG SER A 84 -6.301 8.878 3.866 1.00 0.00 H new ATOM 1170 N ARG A 85 -4.726 7.576 0.883 1.00 0.00 N ATOM 1171 CA ARG A 85 -5.453 6.530 0.184 1.00 0.00 C ATOM 1172 C ARG A 85 -4.607 5.972 -0.962 1.00 0.00 C ATOM 1173 O ARG A 85 -4.672 6.469 -2.085 1.00 0.00 O ATOM 1174 CB ARG A 85 -6.775 7.058 -0.376 1.00 0.00 C ATOM 1175 CG ARG A 85 -6.544 8.281 -1.266 1.00 0.00 C ATOM 1176 CD ARG A 85 -7.166 8.079 -2.649 1.00 0.00 C ATOM 1177 NE ARG A 85 -7.400 9.389 -3.296 1.00 0.00 N ATOM 1178 CZ ARG A 85 -8.061 9.550 -4.450 1.00 0.00 C ATOM 1179 NH1 ARG A 85 -8.559 8.484 -5.091 1.00 0.00 N ATOM 1180 NH2 ARG A 85 -8.226 10.777 -4.963 1.00 0.00 N ATOM 0 H ARG A 85 -3.990 8.023 0.336 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.667 5.738 0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.270 6.274 -0.950 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.442 7.322 0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.975 9.164 -0.795 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.474 8.464 -1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.506 7.471 -3.268 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.107 7.536 -2.558 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.035 10.222 -2.834 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.435 7.550 -4.700 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.062 8.606 -5.970 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.848 11.589 -4.475 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -8.729 10.899 -5.842 1.00 0.00 H new ATOM 1194 N LEU A 86 -3.834 4.946 -0.639 1.00 0.00 N ATOM 1195 CA LEU A 86 -2.977 4.315 -1.628 1.00 0.00 C ATOM 1196 C LEU A 86 -3.785 3.278 -2.410 1.00 0.00 C ATOM 1197 O LEU A 86 -4.647 2.604 -1.847 1.00 0.00 O ATOM 1198 CB LEU A 86 -1.722 3.744 -0.964 1.00 0.00 C ATOM 1199 CG LEU A 86 -0.768 4.765 -0.343 1.00 0.00 C ATOM 1200 CD1 LEU A 86 -0.058 4.180 0.880 1.00 0.00 C ATOM 1201 CD2 LEU A 86 0.223 5.292 -1.383 1.00 0.00 C ATOM 0 H LEU A 86 -3.783 4.536 0.294 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.621 5.051 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.032 3.046 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.172 3.168 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.356 5.615 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.614 4.927 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.798 3.894 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.516 3.302 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.890 6.016 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.809 4.463 -1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.323 5.773 -2.195 1.00 0.00 H new ATOM 1213 N HIS A 87 -3.478 3.181 -3.695 1.00 0.00 N ATOM 1214 CA HIS A 87 -4.166 2.237 -4.560 1.00 0.00 C ATOM 1215 C HIS A 87 -3.147 1.291 -5.199 1.00 0.00 C ATOM 1216 O HIS A 87 -2.643 1.560 -6.289 1.00 0.00 O ATOM 1217 CB HIS A 87 -5.023 2.971 -5.593 1.00 0.00 C ATOM 1218 CG HIS A 87 -6.508 2.752 -5.426 1.00 0.00 C ATOM 1219 ND1 HIS A 87 -7.431 3.780 -5.510 1.00 0.00 N ATOM 1220 CD2 HIS A 87 -7.219 1.614 -5.181 1.00 0.00 C ATOM 1221 CE1 HIS A 87 -8.640 3.272 -5.321 1.00 0.00 C ATOM 1222 NE2 HIS A 87 -8.506 1.930 -5.116 1.00 0.00 N ATOM 0 H HIS A 87 -2.762 3.740 -4.158 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.853 1.631 -3.970 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.814 4.039 -5.530 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.728 2.647 -6.591 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.805 0.624 -5.060 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -9.569 3.824 -5.328 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -9.270 1.277 -4.941 1.00 0.00 H new ATOM 1230 N MET A 88 -2.875 0.202 -4.495 1.00 0.00 N ATOM 1231 CA MET A 88 -1.926 -0.785 -4.980 1.00 0.00 C ATOM 1232 C MET A 88 -2.638 -1.894 -5.757 1.00 0.00 C ATOM 1233 O MET A 88 -3.725 -2.324 -5.376 1.00 0.00 O ATOM 1234 CB MET A 88 -1.172 -1.394 -3.795 1.00 0.00 C ATOM 1235 CG MET A 88 -0.727 -0.309 -2.812 1.00 0.00 C ATOM 1236 SD MET A 88 -1.790 -0.311 -1.379 1.00 0.00 S ATOM 1237 CE MET A 88 -0.766 -1.222 -0.235 1.00 0.00 C ATOM 0 H MET A 88 -3.296 -0.018 -3.592 1.00 0.00 H new ATOM 0 HA MET A 88 -1.225 -0.289 -5.652 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.812 -2.113 -3.283 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.302 -1.942 -4.156 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.306 -0.482 -2.509 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.758 0.667 -3.296 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.323 -2.075 0.152 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.128 -1.575 -0.749 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.477 -0.573 0.591 1.00 0.00 H new ATOM 1247 N MET A 89 -1.995 -2.326 -6.832 1.00 0.00 N ATOM 1248 CA MET A 89 -2.552 -3.377 -7.666 1.00 0.00 C ATOM 1249 C MET A 89 -1.543 -4.508 -7.871 1.00 0.00 C ATOM 1250 O MET A 89 -0.454 -4.285 -8.399 1.00 0.00 O ATOM 1251 CB MET A 89 -2.950 -2.794 -9.024 1.00 0.00 C ATOM 1252 CG MET A 89 -3.476 -1.365 -8.874 1.00 0.00 C ATOM 1253 SD MET A 89 -4.849 -1.337 -7.734 1.00 0.00 S ATOM 1254 CE MET A 89 -6.162 -1.876 -8.817 1.00 0.00 C ATOM 0 H MET A 89 -1.093 -1.967 -7.145 1.00 0.00 H new ATOM 0 HA MET A 89 -3.429 -3.786 -7.165 1.00 0.00 H new ATOM 0 HB2 MET A 89 -2.089 -2.800 -9.693 1.00 0.00 H new ATOM 0 HB3 MET A 89 -3.715 -3.421 -9.483 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.681 -0.712 -8.515 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.790 -0.981 -9.844 1.00 0.00 H new ATOM 0 HE1 MET A 89 -7.026 -1.223 -8.694 1.00 0.00 H new ATOM 0 HE2 MET A 89 -5.820 -1.835 -9.851 1.00 0.00 H new ATOM 0 HE3 MET A 89 -6.442 -2.899 -8.567 1.00 0.00 H new ATOM 1264 N VAL A 90 -1.940 -5.697 -7.443 1.00 0.00 N ATOM 1265 CA VAL A 90 -1.083 -6.864 -7.574 1.00 0.00 C ATOM 1266 C VAL A 90 -1.571 -7.722 -8.743 1.00 0.00 C ATOM 1267 O VAL A 90 -2.721 -7.605 -9.166 1.00 0.00 O ATOM 1268 CB VAL A 90 -1.036 -7.629 -6.250 1.00 0.00 C ATOM 1269 CG1 VAL A 90 -0.412 -6.775 -5.145 1.00 0.00 C ATOM 1270 CG2 VAL A 90 -2.431 -8.113 -5.846 1.00 0.00 C ATOM 0 H VAL A 90 -2.843 -5.878 -7.005 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.059 -6.563 -7.797 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.405 -8.506 -6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.391 -7.343 -4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.605 -6.502 -5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.005 -5.871 -5.005 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.369 -8.654 -4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.094 -7.256 -5.731 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.824 -8.775 -6.618 1.00 0.00 H new ATOM 1280 N ARG A 91 -0.674 -8.564 -9.232 1.00 0.00 N ATOM 1281 CA ARG A 91 -0.999 -9.441 -10.344 1.00 0.00 C ATOM 1282 C ARG A 91 -1.019 -10.900 -9.882 1.00 0.00 C ATOM 1283 O ARG A 91 0.011 -11.445 -9.489 1.00 0.00 O ATOM 1284 CB ARG A 91 0.014 -9.288 -11.480 1.00 0.00 C ATOM 1285 CG ARG A 91 -0.385 -8.149 -12.421 1.00 0.00 C ATOM 1286 CD ARG A 91 0.455 -8.174 -13.700 1.00 0.00 C ATOM 1287 NE ARG A 91 -0.336 -8.745 -14.813 1.00 0.00 N ATOM 1288 CZ ARG A 91 0.123 -8.890 -16.063 1.00 0.00 C ATOM 1289 NH1 ARG A 91 1.370 -8.507 -16.368 1.00 0.00 N ATOM 1290 NH2 ARG A 91 -0.666 -9.418 -17.009 1.00 0.00 N ATOM 0 H ARG A 91 0.278 -8.658 -8.879 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.986 -9.159 -10.711 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.003 -9.093 -11.066 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.081 -10.221 -12.040 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.442 -8.235 -12.674 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.255 -7.192 -11.915 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.778 -7.164 -13.953 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.356 -8.766 -13.542 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.290 -9.047 -14.616 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.970 -8.105 -15.648 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.719 -8.618 -17.320 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.616 -9.709 -16.777 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.317 -9.529 -17.961 1.00 0.00 H new ATOM 1304 N ARG A 92 -2.204 -11.490 -9.943 1.00 0.00 N ATOM 1305 CA ARG A 92 -2.372 -12.874 -9.536 1.00 0.00 C ATOM 1306 C ARG A 92 -2.589 -13.766 -10.760 1.00 0.00 C ATOM 1307 O ARG A 92 -3.229 -13.354 -11.727 1.00 0.00 O ATOM 1308 CB ARG A 92 -3.561 -13.028 -8.585 1.00 0.00 C ATOM 1309 CG ARG A 92 -3.567 -14.413 -7.935 1.00 0.00 C ATOM 1310 CD ARG A 92 -3.872 -14.315 -6.438 1.00 0.00 C ATOM 1311 NE ARG A 92 -5.270 -14.726 -6.179 1.00 0.00 N ATOM 1312 CZ ARG A 92 -5.804 -14.845 -4.956 1.00 0.00 C ATOM 1313 NH1 ARG A 92 -5.059 -14.587 -3.872 1.00 0.00 N ATOM 1314 NH2 ARG A 92 -7.081 -15.224 -4.816 1.00 0.00 N ATOM 0 H ARG A 92 -3.057 -11.034 -10.268 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.463 -13.179 -9.017 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.515 -12.260 -7.813 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.491 -12.875 -9.132 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.312 -15.044 -8.421 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.599 -14.892 -8.082 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.187 -14.951 -5.876 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.714 -13.293 -6.092 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.864 -14.932 -6.982 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.086 -14.300 -3.978 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.465 -14.677 -2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.647 -15.422 -5.641 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -7.487 -15.314 -3.885 1.00 0.00 H new ATOM 1328 N MET A 93 -2.044 -14.971 -10.679 1.00 0.00 N ATOM 1329 CA MET A 93 -2.170 -15.923 -11.769 1.00 0.00 C ATOM 1330 C MET A 93 -3.026 -17.121 -11.354 1.00 0.00 C ATOM 1331 O MET A 93 -3.402 -17.940 -12.191 1.00 0.00 O ATOM 1332 CB MET A 93 -0.780 -16.409 -12.186 1.00 0.00 C ATOM 1333 CG MET A 93 0.053 -16.802 -10.964 1.00 0.00 C ATOM 1334 SD MET A 93 0.979 -15.394 -10.378 1.00 0.00 S ATOM 1335 CE MET A 93 1.904 -14.996 -11.852 1.00 0.00 C ATOM 0 H MET A 93 -1.514 -15.310 -9.876 1.00 0.00 H new ATOM 0 HA MET A 93 -2.657 -15.425 -12.607 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.875 -17.264 -12.856 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.268 -15.624 -12.742 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.599 -17.173 -10.173 1.00 0.00 H new ATOM 0 HG3 MET A 93 0.734 -17.613 -11.223 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.927 -14.734 -11.580 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.915 -15.858 -12.518 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.436 -14.152 -12.359 1.00 0.00 H new ATOM 1345 N GLY A 94 -3.310 -17.186 -10.061 1.00 0.00 N ATOM 1346 CA GLY A 94 -4.115 -18.270 -9.525 1.00 0.00 C ATOM 1347 C GLY A 94 -3.297 -19.138 -8.567 1.00 0.00 C ATOM 1348 O GLY A 94 -2.155 -18.810 -8.248 1.00 0.00 O ATOM 0 H GLY A 94 -2.997 -16.505 -9.369 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.980 -17.861 -9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.496 -18.883 -10.342 1.00 0.00 H new ATOM 1352 N SER A 95 -3.913 -20.229 -8.135 1.00 0.00 N ATOM 1353 CA SER A 95 -3.256 -21.146 -7.220 1.00 0.00 C ATOM 1354 C SER A 95 -3.092 -20.490 -5.848 1.00 0.00 C ATOM 1355 O SER A 95 -3.281 -19.282 -5.707 1.00 0.00 O ATOM 1356 CB SER A 95 -1.896 -21.587 -7.764 1.00 0.00 C ATOM 1357 OG SER A 95 -1.734 -23.002 -7.716 1.00 0.00 O ATOM 0 H SER A 95 -4.860 -20.498 -8.402 1.00 0.00 H new ATOM 0 HA SER A 95 -3.881 -22.033 -7.118 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.789 -21.245 -8.793 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.103 -21.112 -7.186 1.00 0.00 H new ATOM 0 HG SER A 95 -0.854 -23.243 -8.074 1.00 0.00 H new ATOM 1363 N GLY A 96 -2.743 -21.314 -4.871 1.00 0.00 N ATOM 1364 CA GLY A 96 -2.551 -20.828 -3.515 1.00 0.00 C ATOM 1365 C GLY A 96 -1.384 -21.546 -2.835 1.00 0.00 C ATOM 1366 O GLY A 96 -1.551 -22.639 -2.296 1.00 0.00 O ATOM 0 H GLY A 96 -2.588 -22.315 -4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.361 -19.755 -3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.463 -20.981 -2.938 1.00 0.00 H new ATOM 1370 N PRO A 97 -0.196 -20.885 -2.884 1.00 0.00 N ATOM 1371 CA PRO A 97 0.999 -21.449 -2.279 1.00 0.00 C ATOM 1372 C PRO A 97 0.953 -21.325 -0.755 1.00 0.00 C ATOM 1373 O PRO A 97 0.055 -20.688 -0.207 1.00 0.00 O ATOM 1374 CB PRO A 97 2.154 -20.682 -2.902 1.00 0.00 C ATOM 1375 CG PRO A 97 1.549 -19.412 -3.478 1.00 0.00 C ATOM 1376 CD PRO A 97 0.040 -19.589 -3.513 1.00 0.00 C ATOM 0 HA PRO A 97 1.101 -22.518 -2.466 1.00 0.00 H new ATOM 0 HB2 PRO A 97 2.915 -20.449 -2.157 1.00 0.00 H new ATOM 0 HB3 PRO A 97 2.639 -21.271 -3.680 1.00 0.00 H new ATOM 0 HG2 PRO A 97 1.818 -18.550 -2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 97 1.935 -19.226 -4.480 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -0.465 -18.789 -2.972 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -0.337 -19.571 -4.535 1.00 0.00 H new ATOM 1384 N SER A 98 1.933 -21.944 -0.113 1.00 0.00 N ATOM 1385 CA SER A 98 2.015 -21.911 1.338 1.00 0.00 C ATOM 1386 C SER A 98 3.447 -21.593 1.773 1.00 0.00 C ATOM 1387 O SER A 98 4.392 -21.800 1.013 1.00 0.00 O ATOM 1388 CB SER A 98 1.559 -23.239 1.945 1.00 0.00 C ATOM 1389 OG SER A 98 0.312 -23.672 1.407 1.00 0.00 O ATOM 0 H SER A 98 2.677 -22.471 -0.571 1.00 0.00 H new ATOM 0 HA SER A 98 1.349 -21.128 1.701 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.317 -24.001 1.762 1.00 0.00 H new ATOM 0 HB3 SER A 98 1.470 -23.132 3.026 1.00 0.00 H new ATOM 0 HG SER A 98 0.056 -24.524 1.819 1.00 0.00 H new ATOM 1395 N SER A 99 3.563 -21.094 2.995 1.00 0.00 N ATOM 1396 CA SER A 99 4.863 -20.745 3.541 1.00 0.00 C ATOM 1397 C SER A 99 5.357 -21.857 4.469 1.00 0.00 C ATOM 1398 O SER A 99 4.559 -22.628 5.000 1.00 0.00 O ATOM 1399 CB SER A 99 4.806 -19.414 4.292 1.00 0.00 C ATOM 1400 OG SER A 99 3.525 -19.183 4.873 1.00 0.00 O ATOM 0 H SER A 99 2.777 -20.923 3.623 1.00 0.00 H new ATOM 0 HA SER A 99 5.563 -20.634 2.713 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.565 -19.406 5.074 1.00 0.00 H new ATOM 0 HB3 SER A 99 5.045 -18.601 3.607 1.00 0.00 H new ATOM 0 HG SER A 99 3.530 -18.324 5.345 1.00 0.00 H new ATOM 1406 N GLY A 100 6.670 -21.905 4.636 1.00 0.00 N ATOM 1407 CA GLY A 100 7.280 -22.910 5.491 1.00 0.00 C ATOM 1408 C GLY A 100 8.519 -23.515 4.828 1.00 0.00 C ATOM 1409 O GLY A 100 8.419 -24.506 4.106 1.00 0.00 O ATOM 0 H GLY A 100 7.329 -21.264 4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 100 7.556 -22.462 6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.557 -23.697 5.706 1.00 0.00 H new TER 1413 GLY A 100