USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 504 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 28 HIS HD1 : A 28 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD NoAdj-H: A 31 HIS HD1 : A 31 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD NoAdj-H: A 58 HIS HD1 : A 58 HIS ND1 : A 68 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.103 F(o=-1.7!,f=-0.1) USER MOD Single : A 23 MET CE :methyl -159:sc= -1.44 (180deg=-3.71!) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.216) USER MOD Single : A 26 GLN : amide:sc= -1.61 K(o=-1.6,f=-10!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 145:sc= -0.216 (180deg=-1.13) USER MOD Single : A 44 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.479 K(o=-0.48,f=-1) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.439 USER MOD Single : A 50 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0681) USER MOD Single : A 54 TYR OH : rot 165:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -3.9! C(o=-3.9!,f=-7.3!) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.489 F(o=-1.3,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.320 27.234 -1.419 1.00 0.00 N ATOM 2 CA GLY A 1 2.200 27.269 -0.435 1.00 0.00 C ATOM 3 C GLY A 1 2.564 26.420 0.785 1.00 0.00 C ATOM 4 O GLY A 1 3.589 26.617 1.407 1.00 0.00 O ATOM 0 H1 GLY A 1 3.072 27.811 -2.248 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.182 27.614 -0.978 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.488 26.252 -1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.002 28.297 -0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.287 26.891 -0.894 1.00 0.00 H new ATOM 10 N SER A 2 1.732 25.476 1.131 1.00 0.00 N ATOM 11 CA SER A 2 2.031 24.616 2.310 1.00 0.00 C ATOM 12 C SER A 2 3.457 24.074 2.197 1.00 0.00 C ATOM 13 O SER A 2 4.030 24.025 1.127 1.00 0.00 O ATOM 14 CB SER A 2 1.044 23.448 2.352 1.00 0.00 C ATOM 15 OG SER A 2 1.353 22.613 3.459 1.00 0.00 O ATOM 0 H SER A 2 0.859 25.263 0.648 1.00 0.00 H new ATOM 0 HA SER A 2 1.937 25.205 3.223 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.024 23.822 2.437 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.098 22.877 1.425 1.00 0.00 H new ATOM 0 HG SER A 2 0.722 21.864 3.490 1.00 0.00 H new ATOM 21 N MET A 3 4.036 23.667 3.294 1.00 0.00 N ATOM 22 CA MET A 3 5.425 23.130 3.249 1.00 0.00 C ATOM 23 C MET A 3 5.460 21.890 2.353 1.00 0.00 C ATOM 24 O MET A 3 6.511 21.374 2.029 1.00 0.00 O ATOM 25 CB MET A 3 5.872 22.754 4.665 1.00 0.00 C ATOM 26 CG MET A 3 7.398 22.656 4.715 1.00 0.00 C ATOM 27 SD MET A 3 8.115 24.312 4.568 1.00 0.00 S ATOM 28 CE MET A 3 9.586 24.014 5.578 1.00 0.00 C ATOM 0 H MET A 3 3.607 23.683 4.219 1.00 0.00 H new ATOM 0 HA MET A 3 6.098 23.887 2.847 1.00 0.00 H new ATOM 0 HB2 MET A 3 5.522 23.501 5.378 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.427 21.803 4.957 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.713 22.194 5.651 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.759 22.019 3.907 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.186 24.923 5.624 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.284 23.727 6.585 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.176 23.212 5.134 1.00 0.00 H new ATOM 38 N GLY A 4 4.316 21.409 1.950 1.00 0.00 N ATOM 39 CA GLY A 4 4.276 20.202 1.074 1.00 0.00 C ATOM 40 C GLY A 4 3.061 19.347 1.437 1.00 0.00 C ATOM 41 O GLY A 4 2.096 19.280 0.703 1.00 0.00 O ATOM 0 H GLY A 4 3.405 21.800 2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.224 20.501 0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.191 19.622 1.194 1.00 0.00 H new ATOM 45 N VAL A 5 3.104 18.693 2.568 1.00 0.00 N ATOM 46 CA VAL A 5 1.954 17.839 2.987 1.00 0.00 C ATOM 47 C VAL A 5 1.666 16.780 1.908 1.00 0.00 C ATOM 48 O VAL A 5 1.321 17.114 0.793 1.00 0.00 O ATOM 49 CB VAL A 5 0.711 18.715 3.207 1.00 0.00 C ATOM 50 CG1 VAL A 5 -0.546 17.937 2.837 1.00 0.00 C ATOM 51 CG2 VAL A 5 0.603 19.108 4.683 1.00 0.00 C ATOM 0 H VAL A 5 3.888 18.714 3.221 1.00 0.00 H new ATOM 0 HA VAL A 5 2.205 17.334 3.920 1.00 0.00 H new ATOM 0 HB VAL A 5 0.804 19.604 2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.423 18.565 2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.496 17.642 1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.620 17.047 3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.281 19.729 4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.521 18.209 5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.492 19.666 4.977 1.00 0.00 H new ATOM 61 N PRO A 6 1.807 15.530 2.280 1.00 0.00 N ATOM 62 CA PRO A 6 1.559 14.401 1.375 1.00 0.00 C ATOM 63 C PRO A 6 0.070 14.150 1.284 1.00 0.00 C ATOM 64 O PRO A 6 -0.701 14.621 2.095 1.00 0.00 O ATOM 65 CB PRO A 6 2.261 13.211 2.042 1.00 0.00 C ATOM 66 CG PRO A 6 2.693 13.672 3.455 1.00 0.00 C ATOM 67 CD PRO A 6 2.241 15.125 3.624 1.00 0.00 C ATOM 0 HA PRO A 6 1.924 14.577 0.363 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.591 12.354 2.105 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.126 12.897 1.458 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.242 13.039 4.219 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.774 13.591 3.571 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.428 15.207 4.346 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.054 15.755 3.986 1.00 0.00 H new ATOM 75 N ILE A 7 -0.338 13.409 0.304 1.00 0.00 N ATOM 76 CA ILE A 7 -1.781 13.123 0.154 1.00 0.00 C ATOM 77 C ILE A 7 -1.977 11.646 -0.149 1.00 0.00 C ATOM 78 O ILE A 7 -1.428 11.105 -1.090 1.00 0.00 O ATOM 79 CB ILE A 7 -2.351 13.995 -0.957 1.00 0.00 C ATOM 80 CG1 ILE A 7 -2.538 15.401 -0.389 1.00 0.00 C ATOM 81 CG2 ILE A 7 -3.697 13.431 -1.403 1.00 0.00 C ATOM 82 CD1 ILE A 7 -2.969 16.379 -1.478 1.00 0.00 C ATOM 0 H ILE A 7 0.266 12.988 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.310 13.353 1.079 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.681 14.018 -1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.287 15.380 0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.606 15.742 0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.107 14.054 -2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.561 12.414 -1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.386 13.422 -0.558 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.095 17.372 -1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.207 16.416 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.914 16.049 -1.910 1.00 0.00 H new ATOM 94 N CYS A 8 -2.738 10.989 0.672 1.00 0.00 N ATOM 95 CA CYS A 8 -2.966 9.540 0.486 1.00 0.00 C ATOM 96 C CYS A 8 -3.633 9.287 -0.860 1.00 0.00 C ATOM 97 O CYS A 8 -4.737 9.721 -1.119 1.00 0.00 O ATOM 98 CB CYS A 8 -3.843 9.023 1.623 1.00 0.00 C ATOM 99 SG CYS A 8 -4.409 7.346 1.253 1.00 0.00 S ATOM 0 H CYS A 8 -3.217 11.401 1.473 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.012 9.012 0.500 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.282 9.029 2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.700 9.683 1.762 1.00 0.00 H new ATOM 104 N GLY A 9 -2.955 8.585 -1.719 1.00 0.00 N ATOM 105 CA GLY A 9 -3.519 8.289 -3.060 1.00 0.00 C ATOM 106 C GLY A 9 -4.776 7.438 -2.905 1.00 0.00 C ATOM 107 O GLY A 9 -5.422 7.083 -3.871 1.00 0.00 O ATOM 0 H GLY A 9 -2.026 8.200 -1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.757 9.217 -3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.783 7.763 -3.668 1.00 0.00 H new ATOM 111 N ALA A 10 -5.128 7.101 -1.694 1.00 0.00 N ATOM 112 CA ALA A 10 -6.340 6.265 -1.478 1.00 0.00 C ATOM 113 C ALA A 10 -7.575 7.162 -1.419 1.00 0.00 C ATOM 114 O ALA A 10 -8.529 6.970 -2.146 1.00 0.00 O ATOM 115 CB ALA A 10 -6.197 5.489 -0.164 1.00 0.00 C ATOM 0 H ALA A 10 -4.628 7.369 -0.846 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.449 5.560 -2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.084 4.876 -0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.317 4.847 -0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.088 6.191 0.663 1.00 0.00 H new ATOM 121 N CYS A 11 -7.558 8.142 -0.561 1.00 0.00 N ATOM 122 CA CYS A 11 -8.724 9.064 -0.447 1.00 0.00 C ATOM 123 C CYS A 11 -8.330 10.439 -0.984 1.00 0.00 C ATOM 124 O CYS A 11 -9.108 11.373 -0.952 1.00 0.00 O ATOM 125 CB CYS A 11 -9.135 9.185 1.022 1.00 0.00 C ATOM 126 SG CYS A 11 -7.652 9.220 2.060 1.00 0.00 S ATOM 0 H CYS A 11 -6.783 8.346 0.070 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.561 8.673 -1.025 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.720 10.092 1.174 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.770 8.345 1.304 1.00 0.00 H new ATOM 131 N ARG A 12 -7.125 10.578 -1.468 1.00 0.00 N ATOM 132 CA ARG A 12 -6.686 11.894 -1.993 1.00 0.00 C ATOM 133 C ARG A 12 -6.826 12.932 -0.882 1.00 0.00 C ATOM 134 O ARG A 12 -7.263 14.043 -1.106 1.00 0.00 O ATOM 135 CB ARG A 12 -7.558 12.292 -3.187 1.00 0.00 C ATOM 136 CG ARG A 12 -7.754 11.083 -4.104 1.00 0.00 C ATOM 137 CD ARG A 12 -6.392 10.502 -4.486 1.00 0.00 C ATOM 138 NE ARG A 12 -6.550 9.593 -5.656 1.00 0.00 N ATOM 139 CZ ARG A 12 -5.503 9.219 -6.339 1.00 0.00 C ATOM 140 NH1 ARG A 12 -4.317 9.643 -5.998 1.00 0.00 N ATOM 141 NH2 ARG A 12 -5.641 8.423 -7.364 1.00 0.00 N ATOM 0 H ARG A 12 -6.429 9.834 -1.521 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.648 11.837 -2.320 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.524 12.658 -2.839 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.088 13.107 -3.738 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.355 10.326 -3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.299 11.379 -5.001 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.697 11.306 -4.728 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.968 9.957 -3.643 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.477 9.263 -5.923 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.209 10.266 -5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.498 9.351 -6.531 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.568 8.093 -7.632 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.822 8.131 -7.897 1.00 0.00 H new ATOM 155 N ARG A 13 -6.451 12.571 0.318 1.00 0.00 N ATOM 156 CA ARG A 13 -6.552 13.523 1.460 1.00 0.00 C ATOM 157 C ARG A 13 -5.139 13.802 1.983 1.00 0.00 C ATOM 158 O ARG A 13 -4.316 12.909 2.006 1.00 0.00 O ATOM 159 CB ARG A 13 -7.398 12.893 2.573 1.00 0.00 C ATOM 160 CG ARG A 13 -8.881 13.173 2.320 1.00 0.00 C ATOM 161 CD ARG A 13 -9.704 12.678 3.510 1.00 0.00 C ATOM 162 NE ARG A 13 -9.611 11.193 3.596 1.00 0.00 N ATOM 163 CZ ARG A 13 -9.978 10.579 4.687 1.00 0.00 C ATOM 164 NH1 ARG A 13 -10.425 11.264 5.703 1.00 0.00 N ATOM 165 NH2 ARG A 13 -9.896 9.278 4.762 1.00 0.00 N ATOM 0 H ARG A 13 -6.077 11.652 0.555 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.021 14.452 1.138 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.223 11.818 2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.102 13.298 3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.040 14.241 2.173 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.206 12.674 1.407 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.338 13.130 4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.745 12.982 3.397 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.261 10.657 2.802 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.488 12.280 5.645 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.712 10.783 6.556 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.545 8.742 3.968 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.183 8.797 5.615 1.00 0.00 H new ATOM 179 N PRO A 14 -4.883 15.025 2.384 1.00 0.00 N ATOM 180 CA PRO A 14 -3.556 15.403 2.895 1.00 0.00 C ATOM 181 C PRO A 14 -3.143 14.505 4.058 1.00 0.00 C ATOM 182 O PRO A 14 -3.732 14.528 5.120 1.00 0.00 O ATOM 183 CB PRO A 14 -3.704 16.864 3.336 1.00 0.00 C ATOM 184 CG PRO A 14 -5.123 17.335 2.944 1.00 0.00 C ATOM 185 CD PRO A 14 -5.875 16.120 2.370 1.00 0.00 C ATOM 0 HA PRO A 14 -2.776 15.288 2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.555 16.955 4.412 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.949 17.486 2.856 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.647 17.735 3.812 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.070 18.136 2.207 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.747 15.872 2.975 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.233 16.317 1.360 1.00 0.00 H new ATOM 193 N ILE A 15 -2.119 13.718 3.862 1.00 0.00 N ATOM 194 CA ILE A 15 -1.652 12.822 4.960 1.00 0.00 C ATOM 195 C ILE A 15 -0.979 13.678 6.034 1.00 0.00 C ATOM 196 O ILE A 15 -0.564 14.791 5.776 1.00 0.00 O ATOM 197 CB ILE A 15 -0.670 11.785 4.403 1.00 0.00 C ATOM 198 CG1 ILE A 15 -1.384 10.922 3.360 1.00 0.00 C ATOM 199 CG2 ILE A 15 -0.165 10.887 5.536 1.00 0.00 C ATOM 200 CD1 ILE A 15 -0.368 10.410 2.336 1.00 0.00 C ATOM 0 H ILE A 15 -1.588 13.657 2.993 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.497 12.290 5.397 1.00 0.00 H new ATOM 0 HB ILE A 15 0.175 12.300 3.945 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.881 10.082 3.846 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.158 11.504 2.860 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.532 10.152 5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.341 11.496 6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.009 10.373 5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.878 9.796 1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.108 11.257 1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.390 9.813 2.843 1.00 0.00 H new ATOM 212 N GLU A 16 -0.878 13.188 7.241 1.00 0.00 N ATOM 213 CA GLU A 16 -0.243 14.016 8.312 1.00 0.00 C ATOM 214 C GLU A 16 0.183 13.135 9.488 1.00 0.00 C ATOM 215 O GLU A 16 -0.290 13.281 10.597 1.00 0.00 O ATOM 216 CB GLU A 16 -1.239 15.075 8.795 1.00 0.00 C ATOM 217 CG GLU A 16 -2.643 14.468 8.855 1.00 0.00 C ATOM 218 CD GLU A 16 -3.536 15.329 9.752 1.00 0.00 C ATOM 219 OE1 GLU A 16 -3.950 16.386 9.304 1.00 0.00 O ATOM 220 OE2 GLU A 16 -3.790 14.916 10.872 1.00 0.00 O ATOM 0 H GLU A 16 -1.202 12.265 7.531 1.00 0.00 H new ATOM 0 HA GLU A 16 0.642 14.503 7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.948 15.441 9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.230 15.932 8.121 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.067 14.407 7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.594 13.450 9.242 1.00 0.00 H new ATOM 227 N GLY A 17 1.084 12.231 9.247 1.00 0.00 N ATOM 228 CA GLY A 17 1.576 11.332 10.328 1.00 0.00 C ATOM 229 C GLY A 17 2.675 10.463 9.738 1.00 0.00 C ATOM 230 O GLY A 17 3.794 10.897 9.551 1.00 0.00 O ATOM 0 H GLY A 17 1.509 12.072 8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.957 11.915 11.167 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.764 10.714 10.712 1.00 0.00 H new ATOM 234 N ARG A 18 2.346 9.255 9.400 1.00 0.00 N ATOM 235 CA ARG A 18 3.344 8.354 8.767 1.00 0.00 C ATOM 236 C ARG A 18 2.875 8.106 7.339 1.00 0.00 C ATOM 237 O ARG A 18 1.778 7.639 7.105 1.00 0.00 O ATOM 238 CB ARG A 18 3.428 7.037 9.532 1.00 0.00 C ATOM 239 CG ARG A 18 4.286 7.228 10.784 1.00 0.00 C ATOM 240 CD ARG A 18 4.628 5.862 11.380 1.00 0.00 C ATOM 241 NE ARG A 18 3.407 5.265 11.989 1.00 0.00 N ATOM 242 CZ ARG A 18 3.381 3.995 12.286 1.00 0.00 C ATOM 243 NH1 ARG A 18 4.424 3.247 12.051 1.00 0.00 N ATOM 244 NH2 ARG A 18 2.311 3.471 12.820 1.00 0.00 N ATOM 0 H ARG A 18 1.421 8.847 9.535 1.00 0.00 H new ATOM 0 HA ARG A 18 4.336 8.805 8.778 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.429 6.702 9.811 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.859 6.262 8.898 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.200 7.766 10.533 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.751 7.833 11.516 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.020 5.203 10.605 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.409 5.967 12.133 1.00 0.00 H new ATOM 0 HE ARG A 18 2.591 5.849 12.174 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.261 3.655 11.635 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.402 2.254 12.284 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.495 4.055 13.005 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.291 2.478 13.052 1.00 0.00 H new ATOM 258 N VAL A 19 3.677 8.458 6.381 1.00 0.00 N ATOM 259 CA VAL A 19 3.259 8.293 4.960 1.00 0.00 C ATOM 260 C VAL A 19 3.812 7.000 4.373 1.00 0.00 C ATOM 261 O VAL A 19 4.842 6.505 4.784 1.00 0.00 O ATOM 262 CB VAL A 19 3.801 9.466 4.139 1.00 0.00 C ATOM 263 CG1 VAL A 19 3.257 9.400 2.706 1.00 0.00 C ATOM 264 CG2 VAL A 19 3.371 10.786 4.777 1.00 0.00 C ATOM 0 H VAL A 19 4.607 8.854 6.517 1.00 0.00 H new ATOM 0 HA VAL A 19 2.170 8.262 4.925 1.00 0.00 H new ATOM 0 HB VAL A 19 4.889 9.406 4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.648 10.238 2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.568 8.464 2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.168 9.451 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.759 11.618 4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.283 10.839 4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.764 10.845 5.792 1.00 0.00 H new ATOM 274 N VAL A 20 3.147 6.478 3.376 1.00 0.00 N ATOM 275 CA VAL A 20 3.635 5.248 2.705 1.00 0.00 C ATOM 276 C VAL A 20 3.898 5.614 1.250 1.00 0.00 C ATOM 277 O VAL A 20 2.992 5.929 0.512 1.00 0.00 O ATOM 278 CB VAL A 20 2.586 4.137 2.783 1.00 0.00 C ATOM 279 CG1 VAL A 20 2.857 3.099 1.688 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.667 3.463 4.152 1.00 0.00 C ATOM 0 H VAL A 20 2.279 6.858 2.998 1.00 0.00 H new ATOM 0 HA VAL A 20 4.539 4.880 3.190 1.00 0.00 H new ATOM 0 HB VAL A 20 1.593 4.562 2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.110 2.308 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.805 3.579 0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.849 2.671 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.921 2.670 4.212 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.661 3.037 4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.477 4.200 4.932 1.00 0.00 H new ATOM 290 N ASN A 21 5.128 5.606 0.839 1.00 0.00 N ATOM 291 CA ASN A 21 5.432 5.984 -0.566 1.00 0.00 C ATOM 292 C ASN A 21 5.321 4.756 -1.463 1.00 0.00 C ATOM 293 O ASN A 21 6.162 3.879 -1.448 1.00 0.00 O ATOM 294 CB ASN A 21 6.845 6.554 -0.641 1.00 0.00 C ATOM 295 CG ASN A 21 6.859 7.968 -0.057 1.00 0.00 C ATOM 296 OD1 ASN A 21 6.297 8.190 1.098 1.00 0.00 O flip ATOM 297 ND2 ASN A 21 7.387 8.882 -0.661 1.00 0.00 N flip ATOM 0 H ASN A 21 5.935 5.356 1.410 1.00 0.00 H new ATOM 0 HA ASN A 21 4.720 6.737 -0.904 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.535 5.915 -0.090 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.186 6.574 -1.676 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.827 8.709 -1.565 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.390 9.821 -0.264 1.00 0.00 H new ATOM 304 N ALA A 22 4.285 4.691 -2.249 1.00 0.00 N ATOM 305 CA ALA A 22 4.102 3.527 -3.157 1.00 0.00 C ATOM 306 C ALA A 22 3.435 4.006 -4.443 1.00 0.00 C ATOM 307 O ALA A 22 2.823 5.055 -4.477 1.00 0.00 O ATOM 308 CB ALA A 22 3.211 2.489 -2.476 1.00 0.00 C ATOM 0 H ALA A 22 3.552 5.399 -2.302 1.00 0.00 H new ATOM 0 HA ALA A 22 5.068 3.078 -3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.075 1.635 -3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.681 2.158 -1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.241 2.933 -2.253 1.00 0.00 H new ATOM 314 N MET A 23 3.549 3.257 -5.505 1.00 0.00 N ATOM 315 CA MET A 23 2.921 3.690 -6.780 1.00 0.00 C ATOM 316 C MET A 23 3.496 5.045 -7.152 1.00 0.00 C ATOM 317 O MET A 23 2.957 5.772 -7.963 1.00 0.00 O ATOM 318 CB MET A 23 1.407 3.822 -6.598 1.00 0.00 C ATOM 319 CG MET A 23 0.857 2.616 -5.830 1.00 0.00 C ATOM 320 SD MET A 23 0.716 1.206 -6.955 1.00 0.00 S ATOM 321 CE MET A 23 1.251 -0.084 -5.802 1.00 0.00 C ATOM 0 H MET A 23 4.048 2.368 -5.543 1.00 0.00 H new ATOM 0 HA MET A 23 3.121 2.957 -7.561 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.177 4.741 -6.058 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.922 3.894 -7.571 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.517 2.368 -4.998 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.117 2.855 -5.404 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.593 -0.954 -6.363 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.067 0.294 -5.186 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.416 -0.370 -5.163 1.00 0.00 H new ATOM 331 N GLY A 24 4.579 5.390 -6.537 1.00 0.00 N ATOM 332 CA GLY A 24 5.206 6.709 -6.810 1.00 0.00 C ATOM 333 C GLY A 24 4.317 7.786 -6.201 1.00 0.00 C ATOM 334 O GLY A 24 4.264 8.909 -6.661 1.00 0.00 O ATOM 0 H GLY A 24 5.065 4.814 -5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.207 6.752 -6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.314 6.865 -7.883 1.00 0.00 H new ATOM 338 N LYS A 25 3.600 7.428 -5.173 1.00 0.00 N ATOM 339 CA LYS A 25 2.677 8.391 -4.510 1.00 0.00 C ATOM 340 C LYS A 25 2.860 8.335 -2.997 1.00 0.00 C ATOM 341 O LYS A 25 3.917 8.031 -2.488 1.00 0.00 O ATOM 342 CB LYS A 25 1.231 7.993 -4.836 1.00 0.00 C ATOM 343 CG LYS A 25 0.977 8.073 -6.348 1.00 0.00 C ATOM 344 CD LYS A 25 -0.357 8.786 -6.610 1.00 0.00 C ATOM 345 CE LYS A 25 -0.154 10.301 -6.542 1.00 0.00 C ATOM 346 NZ LYS A 25 -1.431 10.989 -6.888 1.00 0.00 N ATOM 0 H LYS A 25 3.615 6.496 -4.758 1.00 0.00 H new ATOM 0 HA LYS A 25 2.893 9.398 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.038 6.980 -4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.539 8.651 -4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.790 8.611 -6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.956 7.071 -6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.744 8.505 -7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.097 8.475 -5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.169 10.591 -5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.634 10.605 -7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.247 11.998 -7.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.834 10.561 -7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.104 10.888 -6.102 1.00 0.00 H new ATOM 360 N GLN A 26 1.811 8.631 -2.290 1.00 0.00 N ATOM 361 CA GLN A 26 1.833 8.614 -0.807 1.00 0.00 C ATOM 362 C GLN A 26 0.538 7.941 -0.359 1.00 0.00 C ATOM 363 O GLN A 26 -0.483 8.087 -1.001 1.00 0.00 O ATOM 364 CB GLN A 26 1.875 10.055 -0.305 1.00 0.00 C ATOM 365 CG GLN A 26 3.274 10.635 -0.551 1.00 0.00 C ATOM 366 CD GLN A 26 3.169 12.117 -0.914 1.00 0.00 C ATOM 367 OE1 GLN A 26 2.091 12.674 -0.971 1.00 0.00 O ATOM 368 NE2 GLN A 26 4.259 12.781 -1.160 1.00 0.00 N ATOM 0 H GLN A 26 0.911 8.892 -2.693 1.00 0.00 H new ATOM 0 HA GLN A 26 2.699 8.081 -0.416 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.124 10.654 -0.820 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.636 10.089 0.758 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.889 10.513 0.341 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.767 10.089 -1.355 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.164 12.312 -1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.210 13.771 -1.401 1.00 0.00 H new ATOM 377 N TRP A 27 0.552 7.185 0.702 1.00 0.00 N ATOM 378 CA TRP A 27 -0.705 6.503 1.111 1.00 0.00 C ATOM 379 C TRP A 27 -0.826 6.480 2.631 1.00 0.00 C ATOM 380 O TRP A 27 0.116 6.163 3.328 1.00 0.00 O ATOM 381 CB TRP A 27 -0.668 5.073 0.569 1.00 0.00 C ATOM 382 CG TRP A 27 -0.459 5.119 -0.911 1.00 0.00 C ATOM 383 CD1 TRP A 27 0.739 5.230 -1.530 1.00 0.00 C ATOM 384 CD2 TRP A 27 -1.456 5.064 -1.964 1.00 0.00 C ATOM 385 NE1 TRP A 27 0.535 5.257 -2.898 1.00 0.00 N ATOM 386 CE2 TRP A 27 -0.803 5.157 -3.214 1.00 0.00 C ATOM 387 CE3 TRP A 27 -2.850 4.948 -1.951 1.00 0.00 C ATOM 388 CZ2 TRP A 27 -1.517 5.136 -4.413 1.00 0.00 C ATOM 389 CZ3 TRP A 27 -3.573 4.924 -3.150 1.00 0.00 C ATOM 390 CH2 TRP A 27 -2.908 5.020 -4.381 1.00 0.00 C ATOM 0 H TRP A 27 1.364 7.012 1.294 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.566 7.038 0.711 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.135 4.510 1.045 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -1.600 4.558 0.802 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.698 5.288 -1.037 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.282 5.341 -3.587 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.373 4.876 -1.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -0.998 5.209 -5.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.649 4.831 -3.127 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.471 5.004 -5.303 1.00 0.00 H new ATOM 401 N HIS A 28 -1.984 6.782 3.162 1.00 0.00 N ATOM 402 CA HIS A 28 -2.123 6.727 4.642 1.00 0.00 C ATOM 403 C HIS A 28 -1.666 5.336 5.073 1.00 0.00 C ATOM 404 O HIS A 28 -2.014 4.347 4.460 1.00 0.00 O ATOM 405 CB HIS A 28 -3.584 6.922 5.056 1.00 0.00 C ATOM 406 CG HIS A 28 -3.934 8.386 5.063 1.00 0.00 C ATOM 407 ND1 HIS A 28 -4.889 8.918 4.212 1.00 0.00 N ATOM 408 CD2 HIS A 28 -3.481 9.436 5.821 1.00 0.00 C ATOM 409 CE1 HIS A 28 -4.979 10.234 4.473 1.00 0.00 C ATOM 410 NE2 HIS A 28 -4.141 10.602 5.446 1.00 0.00 N ATOM 0 H HIS A 28 -2.819 7.058 2.646 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.531 7.515 5.108 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.239 6.388 4.367 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.748 6.497 6.046 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -2.727 9.368 6.591 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.646 10.910 3.959 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -4.012 11.538 5.832 1.00 0.00 H new ATOM 418 N VAL A 29 -0.888 5.241 6.102 1.00 0.00 N ATOM 419 CA VAL A 29 -0.416 3.906 6.538 1.00 0.00 C ATOM 420 C VAL A 29 -1.624 3.006 6.783 1.00 0.00 C ATOM 421 O VAL A 29 -1.515 1.797 6.841 1.00 0.00 O ATOM 422 CB VAL A 29 0.387 4.068 7.826 1.00 0.00 C ATOM 423 CG1 VAL A 29 0.471 2.728 8.559 1.00 0.00 C ATOM 424 CG2 VAL A 29 1.791 4.556 7.474 1.00 0.00 C ATOM 0 H VAL A 29 -0.557 6.027 6.661 1.00 0.00 H new ATOM 0 HA VAL A 29 0.214 3.455 5.772 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.103 4.793 8.477 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.045 2.851 9.477 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.534 2.383 8.803 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.961 1.994 7.920 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.374 4.675 8.387 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.277 3.827 6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.725 5.514 6.958 1.00 0.00 H new ATOM 434 N GLU A 30 -2.777 3.593 6.941 1.00 0.00 N ATOM 435 CA GLU A 30 -4.000 2.784 7.201 1.00 0.00 C ATOM 436 C GLU A 30 -4.740 2.493 5.894 1.00 0.00 C ATOM 437 O GLU A 30 -5.477 1.533 5.792 1.00 0.00 O ATOM 438 CB GLU A 30 -4.936 3.563 8.126 1.00 0.00 C ATOM 439 CG GLU A 30 -4.184 3.965 9.390 1.00 0.00 C ATOM 440 CD GLU A 30 -5.180 4.433 10.452 1.00 0.00 C ATOM 441 OE1 GLU A 30 -6.194 3.774 10.616 1.00 0.00 O ATOM 442 OE2 GLU A 30 -4.911 5.442 11.084 1.00 0.00 O ATOM 0 H GLU A 30 -2.926 4.601 6.901 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.701 1.843 7.663 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.312 4.450 7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.801 2.952 8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.606 3.121 9.766 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.475 4.762 9.166 1.00 0.00 H new ATOM 449 N HIS A 31 -4.581 3.328 4.904 1.00 0.00 N ATOM 450 CA HIS A 31 -5.313 3.112 3.622 1.00 0.00 C ATOM 451 C HIS A 31 -4.423 2.419 2.593 1.00 0.00 C ATOM 452 O HIS A 31 -4.882 2.037 1.534 1.00 0.00 O ATOM 453 CB HIS A 31 -5.789 4.466 3.096 1.00 0.00 C ATOM 454 CG HIS A 31 -6.445 5.209 4.230 1.00 0.00 C ATOM 455 ND1 HIS A 31 -6.607 6.590 4.239 1.00 0.00 N ATOM 456 CD2 HIS A 31 -6.993 4.763 5.411 1.00 0.00 C ATOM 457 CE1 HIS A 31 -7.237 6.913 5.384 1.00 0.00 C ATOM 458 NE2 HIS A 31 -7.495 5.840 6.132 1.00 0.00 N ATOM 0 H HIS A 31 -3.977 4.150 4.926 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.170 2.463 3.801 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.948 5.038 2.703 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.492 4.329 2.275 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.028 3.732 5.730 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.502 7.922 5.664 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -7.961 5.815 7.039 1.00 0.00 H new ATOM 466 N PHE A 32 -3.174 2.203 2.893 1.00 0.00 N ATOM 467 CA PHE A 32 -2.321 1.481 1.913 1.00 0.00 C ATOM 468 C PHE A 32 -2.579 -0.001 2.121 1.00 0.00 C ATOM 469 O PHE A 32 -2.180 -0.579 3.111 1.00 0.00 O ATOM 470 CB PHE A 32 -0.838 1.786 2.130 1.00 0.00 C ATOM 471 CG PHE A 32 -0.068 1.281 0.930 1.00 0.00 C ATOM 472 CD1 PHE A 32 -0.339 1.796 -0.346 1.00 0.00 C ATOM 473 CD2 PHE A 32 0.904 0.284 1.086 1.00 0.00 C ATOM 474 CE1 PHE A 32 0.358 1.318 -1.459 1.00 0.00 C ATOM 475 CE2 PHE A 32 1.599 -0.194 -0.031 1.00 0.00 C ATOM 476 CZ PHE A 32 1.326 0.322 -1.303 1.00 0.00 C ATOM 0 H PHE A 32 -2.714 2.489 3.757 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.565 1.795 0.898 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.685 2.858 2.255 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.481 1.305 3.040 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.088 2.564 -0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.117 -0.115 2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.149 1.718 -2.440 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.348 -0.963 0.089 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.863 -0.049 -2.163 1.00 0.00 H new ATOM 486 N VAL A 33 -3.296 -0.606 1.222 1.00 0.00 N ATOM 487 CA VAL A 33 -3.646 -2.041 1.391 1.00 0.00 C ATOM 488 C VAL A 33 -3.398 -2.824 0.112 1.00 0.00 C ATOM 489 O VAL A 33 -3.086 -2.283 -0.931 1.00 0.00 O ATOM 490 CB VAL A 33 -5.138 -2.141 1.709 1.00 0.00 C ATOM 491 CG1 VAL A 33 -5.478 -1.342 2.975 1.00 0.00 C ATOM 492 CG2 VAL A 33 -5.933 -1.587 0.522 1.00 0.00 C ATOM 0 H VAL A 33 -3.657 -0.168 0.374 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.029 -2.452 2.190 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.398 -3.185 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.545 -1.427 3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.911 -1.737 3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.220 -0.294 2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.000 -1.653 0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.660 -0.545 0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.706 -2.169 -0.371 1.00 0.00 H new ATOM 502 N CYS A 34 -3.578 -4.108 0.200 1.00 0.00 N ATOM 503 CA CYS A 34 -3.409 -4.984 -0.985 1.00 0.00 C ATOM 504 C CYS A 34 -4.409 -4.568 -2.061 1.00 0.00 C ATOM 505 O CYS A 34 -5.495 -4.106 -1.769 1.00 0.00 O ATOM 506 CB CYS A 34 -3.678 -6.423 -0.554 1.00 0.00 C ATOM 507 SG CYS A 34 -4.114 -7.446 -1.985 1.00 0.00 S ATOM 0 H CYS A 34 -3.839 -4.595 1.057 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.399 -4.899 -1.387 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.795 -6.832 -0.063 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.488 -6.445 0.176 1.00 0.00 H new ATOM 512 N ALA A 35 -4.054 -4.723 -3.303 1.00 0.00 N ATOM 513 CA ALA A 35 -4.981 -4.333 -4.399 1.00 0.00 C ATOM 514 C ALA A 35 -5.820 -5.546 -4.811 1.00 0.00 C ATOM 515 O ALA A 35 -6.145 -5.729 -5.967 1.00 0.00 O ATOM 516 CB ALA A 35 -4.156 -3.847 -5.584 1.00 0.00 C ATOM 0 H ALA A 35 -3.159 -5.104 -3.608 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.648 -3.538 -4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.822 -3.557 -6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.557 -2.988 -5.282 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.498 -4.648 -5.922 1.00 0.00 H new ATOM 522 N LYS A 36 -6.164 -6.378 -3.867 1.00 0.00 N ATOM 523 CA LYS A 36 -6.977 -7.592 -4.185 1.00 0.00 C ATOM 524 C LYS A 36 -7.969 -7.859 -3.050 1.00 0.00 C ATOM 525 O LYS A 36 -9.099 -8.242 -3.276 1.00 0.00 O ATOM 526 CB LYS A 36 -6.039 -8.802 -4.320 1.00 0.00 C ATOM 527 CG LYS A 36 -6.432 -9.650 -5.531 1.00 0.00 C ATOM 528 CD LYS A 36 -7.799 -10.287 -5.295 1.00 0.00 C ATOM 529 CE LYS A 36 -8.165 -11.169 -6.490 1.00 0.00 C ATOM 530 NZ LYS A 36 -9.393 -11.952 -6.173 1.00 0.00 N ATOM 0 H LYS A 36 -5.917 -6.271 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.521 -7.431 -5.116 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.009 -8.461 -4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.083 -9.407 -3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.459 -9.030 -6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.684 -10.425 -5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.782 -10.882 -4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.554 -9.513 -5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.332 -10.552 -7.373 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.341 -11.843 -6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.642 -12.552 -6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.218 -12.551 -5.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.178 -11.300 -5.971 1.00 0.00 H new ATOM 544 N CYS A 37 -7.537 -7.684 -1.833 1.00 0.00 N ATOM 545 CA CYS A 37 -8.429 -7.953 -0.664 1.00 0.00 C ATOM 546 C CYS A 37 -8.562 -6.700 0.199 1.00 0.00 C ATOM 547 O CYS A 37 -9.459 -6.590 1.009 1.00 0.00 O ATOM 548 CB CYS A 37 -7.808 -9.069 0.168 1.00 0.00 C ATOM 549 SG CYS A 37 -6.224 -8.501 0.824 1.00 0.00 S ATOM 0 H CYS A 37 -6.599 -7.364 -1.593 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.418 -8.242 -1.019 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.476 -9.347 0.984 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.665 -9.960 -0.444 1.00 0.00 H new ATOM 554 N GLU A 38 -7.676 -5.757 0.037 1.00 0.00 N ATOM 555 CA GLU A 38 -7.743 -4.514 0.843 1.00 0.00 C ATOM 556 C GLU A 38 -7.268 -4.783 2.270 1.00 0.00 C ATOM 557 O GLU A 38 -7.893 -4.372 3.226 1.00 0.00 O ATOM 558 CB GLU A 38 -9.174 -3.960 0.865 1.00 0.00 C ATOM 559 CG GLU A 38 -9.820 -4.126 -0.519 1.00 0.00 C ATOM 560 CD GLU A 38 -10.808 -2.982 -0.766 1.00 0.00 C ATOM 561 OE1 GLU A 38 -10.415 -1.839 -0.601 1.00 0.00 O ATOM 562 OE2 GLU A 38 -11.941 -3.270 -1.117 1.00 0.00 O ATOM 0 H GLU A 38 -6.902 -5.798 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.089 -3.773 0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.765 -4.484 1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.161 -2.907 1.146 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.052 -4.129 -1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.336 -5.084 -0.578 1.00 0.00 H new ATOM 569 N LYS A 39 -6.148 -5.441 2.417 1.00 0.00 N ATOM 570 CA LYS A 39 -5.605 -5.701 3.782 1.00 0.00 C ATOM 571 C LYS A 39 -4.493 -4.670 4.045 1.00 0.00 C ATOM 572 O LYS A 39 -3.456 -4.724 3.414 1.00 0.00 O ATOM 573 CB LYS A 39 -5.023 -7.116 3.847 1.00 0.00 C ATOM 574 CG LYS A 39 -4.921 -7.566 5.313 1.00 0.00 C ATOM 575 CD LYS A 39 -3.530 -7.238 5.865 1.00 0.00 C ATOM 576 CE LYS A 39 -3.426 -7.732 7.310 1.00 0.00 C ATOM 577 NZ LYS A 39 -3.823 -9.166 7.374 1.00 0.00 N ATOM 0 H LYS A 39 -5.586 -5.810 1.650 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.393 -5.616 4.530 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.655 -7.806 3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.038 -7.137 3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.685 -7.067 5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.108 -8.637 5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.763 -7.710 5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.354 -6.163 5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.406 -7.609 7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.070 -7.136 7.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.248 -9.654 8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.829 -9.237 7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.670 -9.610 6.446 1.00 0.00 H new ATOM 591 N PRO A 40 -4.746 -3.733 4.930 1.00 0.00 N ATOM 592 CA PRO A 40 -3.777 -2.661 5.228 1.00 0.00 C ATOM 593 C PRO A 40 -2.553 -3.183 5.969 1.00 0.00 C ATOM 594 O PRO A 40 -2.645 -3.961 6.898 1.00 0.00 O ATOM 595 CB PRO A 40 -4.538 -1.680 6.124 1.00 0.00 C ATOM 596 CG PRO A 40 -5.884 -2.337 6.497 1.00 0.00 C ATOM 597 CD PRO A 40 -5.999 -3.652 5.704 1.00 0.00 C ATOM 0 HA PRO A 40 -3.407 -2.208 4.308 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.961 -1.454 7.021 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.703 -0.736 5.605 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.931 -2.531 7.569 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.714 -1.672 6.257 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.109 -4.508 6.370 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.870 -3.644 5.048 1.00 0.00 H new ATOM 605 N PHE A 41 -1.407 -2.712 5.576 1.00 0.00 N ATOM 606 CA PHE A 41 -0.149 -3.123 6.268 1.00 0.00 C ATOM 607 C PHE A 41 0.211 -2.066 7.312 1.00 0.00 C ATOM 608 O PHE A 41 1.277 -1.484 7.273 1.00 0.00 O ATOM 609 CB PHE A 41 1.004 -3.246 5.270 1.00 0.00 C ATOM 610 CG PHE A 41 0.479 -3.696 3.935 1.00 0.00 C ATOM 611 CD1 PHE A 41 -0.109 -2.774 3.064 1.00 0.00 C ATOM 612 CD2 PHE A 41 0.591 -5.039 3.563 1.00 0.00 C ATOM 613 CE1 PHE A 41 -0.584 -3.194 1.816 1.00 0.00 C ATOM 614 CE2 PHE A 41 0.115 -5.461 2.320 1.00 0.00 C ATOM 615 CZ PHE A 41 -0.472 -4.541 1.444 1.00 0.00 C ATOM 0 H PHE A 41 -1.282 -2.058 4.803 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.309 -4.092 6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.511 -2.287 5.167 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.742 -3.958 5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.197 -1.737 3.354 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.046 -5.750 4.237 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.036 -2.482 1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.200 -6.499 2.034 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.838 -4.868 0.482 1.00 0.00 H new ATOM 625 N LEU A 42 -0.669 -1.804 8.237 1.00 0.00 N ATOM 626 CA LEU A 42 -0.373 -0.774 9.278 1.00 0.00 C ATOM 627 C LEU A 42 1.094 -0.883 9.693 1.00 0.00 C ATOM 628 O LEU A 42 1.845 0.068 9.623 1.00 0.00 O ATOM 629 CB LEU A 42 -1.265 -1.020 10.498 1.00 0.00 C ATOM 630 CG LEU A 42 -2.598 -0.291 10.312 1.00 0.00 C ATOM 631 CD1 LEU A 42 -3.257 -0.790 9.040 1.00 0.00 C ATOM 632 CD2 LEU A 42 -3.521 -0.573 11.499 1.00 0.00 C ATOM 0 H LEU A 42 -1.580 -2.256 8.320 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.566 0.221 8.877 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.438 -2.089 10.626 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.768 -0.667 11.402 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.417 0.782 10.248 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.208 -0.277 8.898 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.605 -0.589 8.190 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.432 -1.863 9.118 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.467 -0.050 11.357 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.706 -1.645 11.569 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.049 -0.226 12.418 1.00 0.00 H new ATOM 644 N GLY A 43 1.501 -2.045 10.115 1.00 0.00 N ATOM 645 CA GLY A 43 2.921 -2.244 10.529 1.00 0.00 C ATOM 646 C GLY A 43 3.444 -3.545 9.921 1.00 0.00 C ATOM 647 O GLY A 43 4.298 -4.203 10.482 1.00 0.00 O ATOM 0 H GLY A 43 0.910 -2.872 10.192 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.530 -1.403 10.198 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.994 -2.282 11.616 1.00 0.00 H new ATOM 651 N HIS A 44 2.931 -3.923 8.780 1.00 0.00 N ATOM 652 CA HIS A 44 3.388 -5.190 8.129 1.00 0.00 C ATOM 653 C HIS A 44 4.097 -4.872 6.808 1.00 0.00 C ATOM 654 O HIS A 44 4.319 -3.728 6.466 1.00 0.00 O ATOM 655 CB HIS A 44 2.175 -6.086 7.849 1.00 0.00 C ATOM 656 CG HIS A 44 1.830 -6.874 9.082 1.00 0.00 C ATOM 657 ND1 HIS A 44 1.395 -8.190 9.022 1.00 0.00 N ATOM 658 CD2 HIS A 44 1.849 -6.547 10.415 1.00 0.00 C ATOM 659 CE1 HIS A 44 1.173 -8.602 10.284 1.00 0.00 C ATOM 660 NE2 HIS A 44 1.434 -7.638 11.172 1.00 0.00 N ATOM 0 H HIS A 44 2.214 -3.409 8.268 1.00 0.00 H new ATOM 0 HA HIS A 44 4.081 -5.704 8.795 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.324 -5.477 7.545 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.394 -6.763 7.023 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.142 -5.588 10.816 1.00 0.00 H new ATOM 0 HE1 HIS A 44 0.826 -9.591 10.547 1.00 0.00 H new ATOM 0 HE2 HIS A 44 1.348 -7.691 12.187 1.00 0.00 H new ATOM 668 N ARG A 45 4.452 -5.889 6.068 1.00 0.00 N ATOM 669 CA ARG A 45 5.149 -5.676 4.765 1.00 0.00 C ATOM 670 C ARG A 45 4.136 -5.796 3.623 1.00 0.00 C ATOM 671 O ARG A 45 3.200 -6.568 3.695 1.00 0.00 O ATOM 672 CB ARG A 45 6.238 -6.747 4.602 1.00 0.00 C ATOM 673 CG ARG A 45 6.704 -6.816 3.141 1.00 0.00 C ATOM 674 CD ARG A 45 7.910 -7.751 3.032 1.00 0.00 C ATOM 675 NE ARG A 45 8.593 -7.530 1.726 1.00 0.00 N ATOM 676 CZ ARG A 45 9.798 -7.992 1.533 1.00 0.00 C ATOM 677 NH1 ARG A 45 10.405 -8.648 2.483 1.00 0.00 N ATOM 678 NH2 ARG A 45 10.395 -7.799 0.389 1.00 0.00 N ATOM 0 H ARG A 45 4.288 -6.866 6.312 1.00 0.00 H new ATOM 0 HA ARG A 45 5.602 -4.685 4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.084 -6.517 5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.852 -7.718 4.914 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.894 -7.175 2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.969 -5.820 2.786 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.603 -7.566 3.853 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.588 -8.789 3.115 1.00 0.00 H new ATOM 0 HE ARG A 45 8.118 -7.017 0.983 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.938 -8.800 3.377 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.347 -9.009 2.332 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.920 -7.287 -0.354 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.337 -8.160 0.238 1.00 0.00 H new ATOM 692 N HIS A 46 4.322 -5.048 2.564 1.00 0.00 N ATOM 693 CA HIS A 46 3.376 -5.133 1.412 1.00 0.00 C ATOM 694 C HIS A 46 4.124 -5.598 0.170 1.00 0.00 C ATOM 695 O HIS A 46 5.337 -5.676 0.147 1.00 0.00 O ATOM 696 CB HIS A 46 2.759 -3.767 1.127 1.00 0.00 C ATOM 697 CG HIS A 46 3.830 -2.714 1.179 1.00 0.00 C ATOM 698 ND1 HIS A 46 4.190 -2.080 2.357 1.00 0.00 N ATOM 699 CD2 HIS A 46 4.630 -2.176 0.202 1.00 0.00 C ATOM 700 CE1 HIS A 46 5.168 -1.203 2.063 1.00 0.00 C ATOM 701 NE2 HIS A 46 5.475 -1.222 0.763 1.00 0.00 N ATOM 0 H HIS A 46 5.087 -4.383 2.449 1.00 0.00 H new ATOM 0 HA HIS A 46 2.587 -5.841 1.665 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.283 -3.768 0.147 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.982 -3.547 1.859 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.608 -2.451 -0.842 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.646 -0.562 2.789 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.178 -0.659 0.284 1.00 0.00 H new ATOM 709 N TYR A 47 3.397 -5.929 -0.856 1.00 0.00 N ATOM 710 CA TYR A 47 4.028 -6.419 -2.109 1.00 0.00 C ATOM 711 C TYR A 47 3.397 -5.687 -3.301 1.00 0.00 C ATOM 712 O TYR A 47 2.206 -5.456 -3.334 1.00 0.00 O ATOM 713 CB TYR A 47 3.788 -7.925 -2.178 1.00 0.00 C ATOM 714 CG TYR A 47 4.146 -8.514 -0.827 1.00 0.00 C ATOM 715 CD1 TYR A 47 3.343 -8.242 0.293 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.295 -9.296 -0.681 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.690 -8.748 1.547 1.00 0.00 C ATOM 718 CE2 TYR A 47 5.643 -9.797 0.581 1.00 0.00 C ATOM 719 CZ TYR A 47 4.844 -9.521 1.691 1.00 0.00 C ATOM 720 OH TYR A 47 5.196 -10.012 2.932 1.00 0.00 O ATOM 0 H TYR A 47 2.378 -5.880 -0.880 1.00 0.00 H new ATOM 0 HA TYR A 47 5.100 -6.225 -2.132 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.747 -8.135 -2.422 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.396 -8.373 -2.963 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.454 -7.639 0.184 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.914 -9.514 -1.539 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.067 -8.542 2.405 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.533 -10.399 0.695 1.00 0.00 H new ATOM 0 HH TYR A 47 6.024 -10.530 2.856 1.00 0.00 H new ATOM 730 N GLU A 48 4.196 -5.284 -4.258 1.00 0.00 N ATOM 731 CA GLU A 48 3.648 -4.520 -5.427 1.00 0.00 C ATOM 732 C GLU A 48 3.631 -5.375 -6.693 1.00 0.00 C ATOM 733 O GLU A 48 4.459 -6.242 -6.890 1.00 0.00 O ATOM 734 CB GLU A 48 4.527 -3.288 -5.670 1.00 0.00 C ATOM 735 CG GLU A 48 4.099 -2.160 -4.732 1.00 0.00 C ATOM 736 CD GLU A 48 5.048 -0.971 -4.895 1.00 0.00 C ATOM 737 OE1 GLU A 48 4.840 -0.193 -5.812 1.00 0.00 O ATOM 738 OE2 GLU A 48 5.966 -0.858 -4.099 1.00 0.00 O ATOM 0 H GLU A 48 5.202 -5.449 -4.283 1.00 0.00 H new ATOM 0 HA GLU A 48 2.624 -4.227 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.575 -3.537 -5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.439 -2.965 -6.707 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.076 -1.856 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.110 -2.508 -3.699 1.00 0.00 H new ATOM 745 N ARG A 49 2.688 -5.112 -7.560 1.00 0.00 N ATOM 746 CA ARG A 49 2.602 -5.882 -8.835 1.00 0.00 C ATOM 747 C ARG A 49 1.957 -5.026 -9.929 1.00 0.00 C ATOM 748 O ARG A 49 0.905 -4.446 -9.746 1.00 0.00 O ATOM 749 CB ARG A 49 1.759 -7.137 -8.630 1.00 0.00 C ATOM 750 CG ARG A 49 1.793 -7.995 -9.906 1.00 0.00 C ATOM 751 CD ARG A 49 0.367 -8.228 -10.412 1.00 0.00 C ATOM 752 NE ARG A 49 -0.354 -6.928 -10.508 1.00 0.00 N ATOM 753 CZ ARG A 49 -1.476 -6.852 -11.171 1.00 0.00 C ATOM 754 NH1 ARG A 49 -1.963 -7.913 -11.753 1.00 0.00 N ATOM 755 NH2 ARG A 49 -2.110 -5.715 -11.253 1.00 0.00 N ATOM 0 H ARG A 49 1.972 -4.395 -7.439 1.00 0.00 H new ATOM 0 HA ARG A 49 3.612 -6.160 -9.138 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.140 -7.709 -7.784 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.731 -6.862 -8.392 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.385 -7.497 -10.674 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.276 -8.950 -9.700 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.392 -8.713 -11.388 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.163 -8.899 -9.736 1.00 0.00 H new ATOM 0 HE ARG A 49 0.029 -6.098 -10.056 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.467 -8.802 -11.690 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.840 -7.853 -12.271 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.729 -4.885 -10.799 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.987 -5.656 -11.771 1.00 0.00 H new ATOM 769 N LYS A 50 2.586 -4.953 -11.068 1.00 0.00 N ATOM 770 CA LYS A 50 2.036 -4.153 -12.194 1.00 0.00 C ATOM 771 C LYS A 50 1.696 -2.759 -11.702 1.00 0.00 C ATOM 772 O LYS A 50 0.894 -2.057 -12.286 1.00 0.00 O ATOM 773 CB LYS A 50 0.777 -4.821 -12.749 1.00 0.00 C ATOM 774 CG LYS A 50 1.140 -6.168 -13.385 1.00 0.00 C ATOM 775 CD LYS A 50 0.019 -6.614 -14.334 1.00 0.00 C ATOM 776 CE LYS A 50 0.255 -6.027 -15.729 1.00 0.00 C ATOM 777 NZ LYS A 50 1.304 -6.822 -16.430 1.00 0.00 N ATOM 0 H LYS A 50 3.470 -5.421 -11.268 1.00 0.00 H new ATOM 0 HA LYS A 50 2.782 -4.091 -12.986 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.051 -4.970 -11.950 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.307 -4.174 -13.490 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.079 -6.081 -13.932 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.292 -6.918 -12.609 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.013 -7.702 -14.388 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.947 -6.286 -13.950 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.672 -6.041 -16.303 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.565 -4.985 -15.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.867 -6.194 -17.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.926 -7.272 -15.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.852 -7.556 -17.013 1.00 0.00 H new ATOM 791 N GLY A 51 2.305 -2.346 -10.634 1.00 0.00 N ATOM 792 CA GLY A 51 2.019 -0.989 -10.111 1.00 0.00 C ATOM 793 C GLY A 51 0.811 -1.042 -9.182 1.00 0.00 C ATOM 794 O GLY A 51 0.059 -0.097 -9.066 1.00 0.00 O ATOM 0 H GLY A 51 2.986 -2.887 -10.101 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.886 -0.605 -9.574 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.826 -0.304 -10.936 1.00 0.00 H new ATOM 798 N LEU A 52 0.626 -2.145 -8.519 1.00 0.00 N ATOM 799 CA LEU A 52 -0.521 -2.280 -7.581 1.00 0.00 C ATOM 800 C LEU A 52 -0.066 -3.070 -6.361 1.00 0.00 C ATOM 801 O LEU A 52 0.720 -3.990 -6.462 1.00 0.00 O ATOM 802 CB LEU A 52 -1.678 -3.010 -8.266 1.00 0.00 C ATOM 803 CG LEU A 52 -2.485 -2.036 -9.124 1.00 0.00 C ATOM 804 CD1 LEU A 52 -3.611 -2.806 -9.816 1.00 0.00 C ATOM 805 CD2 LEU A 52 -3.081 -0.929 -8.238 1.00 0.00 C ATOM 0 H LEU A 52 1.225 -2.968 -8.587 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.864 -1.291 -7.278 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.291 -3.818 -8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.324 -3.466 -7.516 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.836 -1.577 -9.870 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.195 -2.122 -10.432 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.184 -3.587 -10.446 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.257 -3.259 -9.064 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.655 -0.238 -8.856 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.735 -1.375 -7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.276 -0.388 -7.741 1.00 0.00 H new ATOM 817 N ALA A 53 -0.534 -2.705 -5.203 1.00 0.00 N ATOM 818 CA ALA A 53 -0.103 -3.424 -3.975 1.00 0.00 C ATOM 819 C ALA A 53 -0.805 -4.768 -3.857 1.00 0.00 C ATOM 820 O ALA A 53 -1.902 -4.961 -4.341 1.00 0.00 O ATOM 821 CB ALA A 53 -0.445 -2.593 -2.742 1.00 0.00 C ATOM 0 H ALA A 53 -1.194 -1.942 -5.053 1.00 0.00 H new ATOM 0 HA ALA A 53 0.973 -3.583 -4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.127 -3.125 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.069 -1.633 -2.796 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.521 -2.427 -2.703 1.00 0.00 H new ATOM 827 N TYR A 54 -0.176 -5.696 -3.193 1.00 0.00 N ATOM 828 CA TYR A 54 -0.790 -7.028 -3.009 1.00 0.00 C ATOM 829 C TYR A 54 -0.221 -7.670 -1.758 1.00 0.00 C ATOM 830 O TYR A 54 0.956 -7.577 -1.495 1.00 0.00 O ATOM 831 CB TYR A 54 -0.467 -7.905 -4.209 1.00 0.00 C ATOM 832 CG TYR A 54 -1.351 -7.506 -5.345 1.00 0.00 C ATOM 833 CD1 TYR A 54 -2.679 -7.923 -5.367 1.00 0.00 C ATOM 834 CD2 TYR A 54 -0.844 -6.715 -6.369 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.511 -7.540 -6.427 1.00 0.00 C ATOM 836 CE2 TYR A 54 -1.665 -6.335 -7.421 1.00 0.00 C ATOM 837 CZ TYR A 54 -3.001 -6.743 -7.456 1.00 0.00 C ATOM 838 OH TYR A 54 -3.813 -6.363 -8.505 1.00 0.00 O ATOM 0 H TYR A 54 0.744 -5.582 -2.769 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.871 -6.922 -2.913 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.581 -7.793 -4.488 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.620 -8.955 -3.962 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.067 -8.540 -4.570 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.188 -6.396 -6.346 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.542 -7.859 -6.449 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.270 -5.721 -8.217 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.387 -5.632 -9.000 1.00 0.00 H new ATOM 848 N CYS A 55 -1.026 -8.325 -0.980 1.00 0.00 N ATOM 849 CA CYS A 55 -0.465 -8.962 0.233 1.00 0.00 C ATOM 850 C CYS A 55 0.647 -9.921 -0.205 1.00 0.00 C ATOM 851 O CYS A 55 0.871 -10.129 -1.381 1.00 0.00 O ATOM 852 CB CYS A 55 -1.538 -9.773 0.963 1.00 0.00 C ATOM 853 SG CYS A 55 -2.877 -8.692 1.501 1.00 0.00 S ATOM 0 H CYS A 55 -2.028 -8.446 -1.126 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.087 -8.189 0.902 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.929 -10.548 0.304 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.100 -10.278 1.824 1.00 0.00 H new ATOM 858 N GLU A 56 1.330 -10.524 0.726 1.00 0.00 N ATOM 859 CA GLU A 56 2.410 -11.489 0.355 1.00 0.00 C ATOM 860 C GLU A 56 1.798 -12.659 -0.423 1.00 0.00 C ATOM 861 O GLU A 56 2.407 -13.224 -1.309 1.00 0.00 O ATOM 862 CB GLU A 56 3.055 -12.043 1.631 1.00 0.00 C ATOM 863 CG GLU A 56 4.115 -13.108 1.295 1.00 0.00 C ATOM 864 CD GLU A 56 5.004 -12.664 0.128 1.00 0.00 C ATOM 865 OE1 GLU A 56 4.486 -12.478 -0.959 1.00 0.00 O ATOM 866 OE2 GLU A 56 6.198 -12.541 0.340 1.00 0.00 O ATOM 0 H GLU A 56 1.190 -10.393 1.728 1.00 0.00 H new ATOM 0 HA GLU A 56 3.156 -10.979 -0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.516 -11.230 2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.288 -12.478 2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.733 -13.298 2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.622 -14.047 1.042 1.00 0.00 H new ATOM 873 N THR A 57 0.602 -13.041 -0.071 1.00 0.00 N ATOM 874 CA THR A 57 -0.055 -14.197 -0.750 1.00 0.00 C ATOM 875 C THR A 57 -0.786 -13.754 -2.011 1.00 0.00 C ATOM 876 O THR A 57 -0.687 -14.388 -3.040 1.00 0.00 O ATOM 877 CB THR A 57 -1.052 -14.848 0.209 1.00 0.00 C ATOM 878 OG1 THR A 57 -0.355 -15.372 1.331 1.00 0.00 O ATOM 879 CG2 THR A 57 -1.791 -15.979 -0.509 1.00 0.00 C ATOM 0 H THR A 57 0.047 -12.600 0.662 1.00 0.00 H new ATOM 0 HA THR A 57 0.718 -14.911 -1.034 1.00 0.00 H new ATOM 0 HB THR A 57 -1.773 -14.102 0.544 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.993 -15.788 1.947 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.501 -16.442 0.176 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.326 -15.576 -1.369 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.073 -16.726 -0.847 1.00 0.00 H new ATOM 887 N HIS A 58 -1.525 -12.685 -1.956 1.00 0.00 N ATOM 888 CA HIS A 58 -2.250 -12.249 -3.167 1.00 0.00 C ATOM 889 C HIS A 58 -1.233 -11.846 -4.212 1.00 0.00 C ATOM 890 O HIS A 58 -1.340 -12.200 -5.365 1.00 0.00 O ATOM 891 CB HIS A 58 -3.165 -11.078 -2.818 1.00 0.00 C ATOM 892 CG HIS A 58 -4.283 -11.578 -1.936 1.00 0.00 C ATOM 893 ND1 HIS A 58 -4.795 -10.849 -0.863 1.00 0.00 N ATOM 894 CD2 HIS A 58 -4.985 -12.761 -1.947 1.00 0.00 C ATOM 895 CE1 HIS A 58 -5.748 -11.604 -0.283 1.00 0.00 C ATOM 896 NE2 HIS A 58 -5.904 -12.774 -0.903 1.00 0.00 N ATOM 0 H HIS A 58 -1.655 -12.101 -1.130 1.00 0.00 H new ATOM 0 HA HIS A 58 -2.867 -13.058 -3.559 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.601 -10.298 -2.306 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.571 -10.633 -3.726 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -4.844 -13.560 -2.660 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.318 -11.298 0.582 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -6.558 -13.519 -0.663 1.00 0.00 H new ATOM 904 N TYR A 59 -0.220 -11.143 -3.816 1.00 0.00 N ATOM 905 CA TYR A 59 0.813 -10.764 -4.784 1.00 0.00 C ATOM 906 C TYR A 59 1.296 -12.029 -5.444 1.00 0.00 C ATOM 907 O TYR A 59 1.256 -12.197 -6.646 1.00 0.00 O ATOM 908 CB TYR A 59 1.979 -10.147 -4.029 1.00 0.00 C ATOM 909 CG TYR A 59 3.162 -10.005 -4.949 1.00 0.00 C ATOM 910 CD1 TYR A 59 2.968 -9.632 -6.279 1.00 0.00 C ATOM 911 CD2 TYR A 59 4.456 -10.249 -4.472 1.00 0.00 C ATOM 912 CE1 TYR A 59 4.058 -9.498 -7.129 1.00 0.00 C ATOM 913 CE2 TYR A 59 5.553 -10.113 -5.327 1.00 0.00 C ATOM 914 CZ TYR A 59 5.354 -9.736 -6.660 1.00 0.00 C ATOM 915 OH TYR A 59 6.434 -9.602 -7.509 1.00 0.00 O ATOM 0 H TYR A 59 -0.068 -10.817 -2.861 1.00 0.00 H new ATOM 0 HA TYR A 59 0.423 -10.058 -5.517 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.694 -9.172 -3.635 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.243 -10.771 -3.175 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.970 -9.447 -6.648 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.606 -10.542 -3.443 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.904 -9.208 -8.158 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.552 -10.298 -4.960 1.00 0.00 H new ATOM 0 HH TYR A 59 7.260 -9.803 -7.022 1.00 0.00 H new ATOM 925 N ASN A 60 1.761 -12.921 -4.634 1.00 0.00 N ATOM 926 CA ASN A 60 2.267 -14.196 -5.159 1.00 0.00 C ATOM 927 C ASN A 60 1.131 -14.945 -5.841 1.00 0.00 C ATOM 928 O ASN A 60 1.284 -15.464 -6.927 1.00 0.00 O ATOM 929 CB ASN A 60 2.825 -15.040 -4.015 1.00 0.00 C ATOM 930 CG ASN A 60 4.105 -14.401 -3.477 1.00 0.00 C ATOM 931 OD1 ASN A 60 4.788 -13.689 -4.186 1.00 0.00 O ATOM 932 ND2 ASN A 60 4.462 -14.622 -2.242 1.00 0.00 N ATOM 0 H ASN A 60 1.812 -12.818 -3.621 1.00 0.00 H new ATOM 0 HA ASN A 60 3.061 -14.003 -5.880 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.086 -15.123 -3.218 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.032 -16.052 -4.364 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.313 -14.197 -1.873 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.890 -15.219 -1.645 1.00 0.00 H new ATOM 939 N GLN A 61 -0.019 -14.991 -5.227 1.00 0.00 N ATOM 940 CA GLN A 61 -1.154 -15.699 -5.885 1.00 0.00 C ATOM 941 C GLN A 61 -1.333 -15.068 -7.257 1.00 0.00 C ATOM 942 O GLN A 61 -1.668 -15.717 -8.228 1.00 0.00 O ATOM 943 CB GLN A 61 -2.439 -15.538 -5.068 1.00 0.00 C ATOM 944 CG GLN A 61 -3.468 -16.576 -5.523 1.00 0.00 C ATOM 945 CD GLN A 61 -3.117 -17.942 -4.931 1.00 0.00 C ATOM 946 OE1 GLN A 61 -2.239 -18.695 -5.534 1.00 0.00 O flip ATOM 947 NE2 GLN A 61 -3.646 -18.327 -3.906 1.00 0.00 N flip ATOM 0 H GLN A 61 -0.221 -14.578 -4.316 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.944 -16.766 -5.963 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.226 -15.663 -4.006 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.840 -14.533 -5.196 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.467 -16.276 -5.205 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.484 -16.634 -6.611 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.333 -17.738 -3.434 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.403 -19.239 -3.518 1.00 0.00 H new ATOM 956 N LEU A 62 -1.089 -13.793 -7.330 1.00 0.00 N ATOM 957 CA LEU A 62 -1.210 -13.072 -8.625 1.00 0.00 C ATOM 958 C LEU A 62 0.029 -13.337 -9.479 1.00 0.00 C ATOM 959 O LEU A 62 -0.043 -13.405 -10.690 1.00 0.00 O ATOM 960 CB LEU A 62 -1.329 -11.564 -8.355 1.00 0.00 C ATOM 961 CG LEU A 62 -2.803 -11.162 -8.268 1.00 0.00 C ATOM 962 CD1 LEU A 62 -3.389 -11.608 -6.934 1.00 0.00 C ATOM 963 CD2 LEU A 62 -2.934 -9.646 -8.386 1.00 0.00 C ATOM 0 H LEU A 62 -0.808 -13.213 -6.540 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.095 -13.423 -9.155 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.819 -11.311 -7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.837 -11.004 -9.150 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.344 -11.643 -9.082 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.438 -11.317 -6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.308 -12.691 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.841 -11.135 -6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.985 -9.366 -8.323 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.382 -9.169 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.528 -9.319 -9.343 1.00 0.00 H new ATOM 975 N PHE A 63 1.167 -13.474 -8.862 1.00 0.00 N ATOM 976 CA PHE A 63 2.411 -13.718 -9.647 1.00 0.00 C ATOM 977 C PHE A 63 3.477 -14.359 -8.762 1.00 0.00 C ATOM 978 O PHE A 63 3.682 -15.557 -8.777 1.00 0.00 O ATOM 979 CB PHE A 63 2.939 -12.378 -10.175 1.00 0.00 C ATOM 980 CG PHE A 63 2.279 -12.062 -11.494 1.00 0.00 C ATOM 981 CD1 PHE A 63 2.799 -12.582 -12.685 1.00 0.00 C ATOM 982 CD2 PHE A 63 1.143 -11.249 -11.521 1.00 0.00 C ATOM 983 CE1 PHE A 63 2.180 -12.288 -13.905 1.00 0.00 C ATOM 984 CE2 PHE A 63 0.521 -10.955 -12.742 1.00 0.00 C ATOM 985 CZ PHE A 63 1.040 -11.476 -13.935 1.00 0.00 C ATOM 0 H PHE A 63 1.292 -13.428 -7.851 1.00 0.00 H new ATOM 0 HA PHE A 63 2.185 -14.389 -10.476 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.735 -11.585 -9.455 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.021 -12.425 -10.300 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.677 -13.210 -12.662 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.744 -10.847 -10.601 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.582 -12.688 -14.824 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.358 -10.327 -12.764 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.561 -11.251 -14.877 1.00 0.00 H new ATOM 995 N GLY A 64 4.164 -13.561 -8.002 1.00 0.00 N ATOM 996 CA GLY A 64 5.237 -14.103 -7.119 1.00 0.00 C ATOM 997 C GLY A 64 6.493 -14.370 -7.947 1.00 0.00 C ATOM 998 O GLY A 64 7.257 -15.271 -7.664 1.00 0.00 O ATOM 0 H GLY A 64 4.031 -12.551 -7.951 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.459 -13.394 -6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.900 -15.024 -6.643 1.00 0.00 H new ATOM 1002 N ASP A 65 6.712 -13.591 -8.969 1.00 0.00 N ATOM 1003 CA ASP A 65 7.919 -13.795 -9.819 1.00 0.00 C ATOM 1004 C ASP A 65 7.934 -15.233 -10.344 1.00 0.00 C ATOM 1005 O ASP A 65 8.612 -16.091 -9.814 1.00 0.00 O ATOM 1006 CB ASP A 65 9.177 -13.543 -8.986 1.00 0.00 C ATOM 1007 CG ASP A 65 9.003 -12.257 -8.176 1.00 0.00 C ATOM 1008 OD1 ASP A 65 9.030 -11.194 -8.774 1.00 0.00 O ATOM 1009 OD2 ASP A 65 8.848 -12.358 -6.970 1.00 0.00 O ATOM 0 H ASP A 65 6.107 -12.821 -9.253 1.00 0.00 H new ATOM 0 HA ASP A 65 7.895 -13.101 -10.659 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.358 -14.385 -8.318 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.047 -13.460 -9.637 1.00 0.00 H new ATOM 1014 N VAL A 66 7.192 -15.502 -11.383 1.00 0.00 N ATOM 1015 CA VAL A 66 7.166 -16.883 -11.941 1.00 0.00 C ATOM 1016 C VAL A 66 8.599 -17.363 -12.182 1.00 0.00 C ATOM 1017 O VAL A 66 8.825 -18.559 -12.089 1.00 0.00 O ATOM 1018 CB VAL A 66 6.400 -16.883 -13.266 1.00 0.00 C ATOM 1019 CG1 VAL A 66 4.954 -16.448 -13.020 1.00 0.00 C ATOM 1020 CG2 VAL A 66 7.066 -15.908 -14.239 1.00 0.00 C ATOM 1021 OXT VAL A 66 9.445 -16.528 -12.454 1.00 0.00 O ATOM 0 H VAL A 66 6.603 -14.826 -11.869 1.00 0.00 H new ATOM 0 HA VAL A 66 6.672 -17.551 -11.235 1.00 0.00 H new ATOM 0 HB VAL A 66 6.410 -17.887 -13.691 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.409 -16.448 -13.964 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.479 -17.141 -12.326 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.943 -15.444 -12.595 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.521 -15.907 -15.183 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.055 -14.905 -13.813 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.096 -16.217 -14.415 1.00 0.00 H new TER 1031 VAL A 66 HETATM 1032 ZN ZN A 67 -5.954 7.895 2.868 1.00 0.00 ZN HETATM 1033 ZN ZN A 68 -4.281 -9.000 -0.296 1.00 0.00 ZN