USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=9 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 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.39! K(o=-2.4!,f=-0.074) USER MOD Single : A 23 MET CE :methyl -158:sc= -1.14 (180deg=-3.28!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -7.03! K(o=-7!,f=-1.7) USER MOD Single : A 36 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.363) USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= -0.0928 (180deg=-0.74) USER MOD Single : A 44 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-1.3) USER MOD Single : A 46 HIS : no HD1:sc= -0.436 K(o=-0.44,f=-1) USER MOD Single : A 47 TYR OH : rot 13:sc= -5.14! USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= -1.93! (180deg=-2.17) USER MOD Single : A 54 TYR OH : rot 130:sc= -2.65! USER MOD Single : A 57 THR OG1 : rot 7:sc= 0.0046 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.06 K(o=-2.1,f=-8!) USER MOD Single : A 61 GLN : amide:sc= -0.275 X(o=-0.27,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.593 25.289 11.658 1.00 0.00 N ATOM 2 CA GLY A 1 8.436 24.837 10.514 1.00 0.00 C ATOM 3 C GLY A 1 7.553 24.169 9.459 1.00 0.00 C ATOM 4 O GLY A 1 7.167 23.025 9.593 1.00 0.00 O ATOM 0 H1 GLY A 1 8.195 25.743 12.375 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.884 25.970 11.319 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.111 24.469 12.079 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.961 25.687 10.078 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.196 24.138 10.863 1.00 0.00 H new ATOM 10 N SER A 2 7.230 24.874 8.410 1.00 0.00 N ATOM 11 CA SER A 2 6.372 24.279 7.347 1.00 0.00 C ATOM 12 C SER A 2 7.105 23.102 6.700 1.00 0.00 C ATOM 13 O SER A 2 8.309 22.980 6.797 1.00 0.00 O ATOM 14 CB SER A 2 6.068 25.336 6.285 1.00 0.00 C ATOM 15 OG SER A 2 7.161 25.420 5.380 1.00 0.00 O ATOM 0 H SER A 2 7.523 25.837 8.243 1.00 0.00 H new ATOM 0 HA SER A 2 5.439 23.929 7.788 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.155 25.077 5.748 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.896 26.303 6.757 1.00 0.00 H new ATOM 0 HG SER A 2 6.969 26.096 4.697 1.00 0.00 H new ATOM 21 N MET A 3 6.387 22.234 6.040 1.00 0.00 N ATOM 22 CA MET A 3 7.045 21.066 5.389 1.00 0.00 C ATOM 23 C MET A 3 6.080 20.437 4.380 1.00 0.00 C ATOM 24 O MET A 3 5.987 19.231 4.264 1.00 0.00 O ATOM 25 CB MET A 3 7.420 20.032 6.454 1.00 0.00 C ATOM 26 CG MET A 3 8.486 19.085 5.898 1.00 0.00 C ATOM 27 SD MET A 3 8.991 17.921 7.190 1.00 0.00 S ATOM 28 CE MET A 3 10.252 17.048 6.228 1.00 0.00 C ATOM 0 H MET A 3 5.375 22.283 5.924 1.00 0.00 H new ATOM 0 HA MET A 3 7.947 21.396 4.873 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.795 20.534 7.346 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.537 19.467 6.753 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.093 18.543 5.038 1.00 0.00 H new ATOM 0 HG3 MET A 3 9.348 19.654 5.549 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.704 16.269 6.842 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.791 16.596 5.350 1.00 0.00 H new ATOM 0 HE3 MET A 3 11.021 17.753 5.912 1.00 0.00 H new ATOM 38 N GLY A 4 5.359 21.245 3.651 1.00 0.00 N ATOM 39 CA GLY A 4 4.402 20.692 2.650 1.00 0.00 C ATOM 40 C GLY A 4 3.556 19.597 3.302 1.00 0.00 C ATOM 41 O GLY A 4 3.587 19.406 4.501 1.00 0.00 O ATOM 0 H GLY A 4 5.391 22.263 3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.758 21.485 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.946 20.286 1.797 1.00 0.00 H new ATOM 45 N VAL A 5 2.798 18.876 2.521 1.00 0.00 N ATOM 46 CA VAL A 5 1.950 17.793 3.095 1.00 0.00 C ATOM 47 C VAL A 5 1.663 16.742 2.016 1.00 0.00 C ATOM 48 O VAL A 5 1.239 17.081 0.930 1.00 0.00 O ATOM 49 CB VAL A 5 0.615 18.385 3.573 1.00 0.00 C ATOM 50 CG1 VAL A 5 -0.490 17.336 3.453 1.00 0.00 C ATOM 51 CG2 VAL A 5 0.713 18.816 5.037 1.00 0.00 C ATOM 0 H VAL A 5 2.730 18.990 1.510 1.00 0.00 H new ATOM 0 HA VAL A 5 2.475 17.334 3.933 1.00 0.00 H new ATOM 0 HB VAL A 5 0.385 19.250 2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.434 17.761 3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.586 17.026 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.239 16.471 4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.242 19.233 5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.958 17.952 5.655 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.492 19.571 5.143 1.00 0.00 H new ATOM 61 N PRO A 6 1.874 15.492 2.353 1.00 0.00 N ATOM 62 CA PRO A 6 1.609 14.387 1.431 1.00 0.00 C ATOM 63 C PRO A 6 0.117 14.178 1.330 1.00 0.00 C ATOM 64 O PRO A 6 -0.645 14.646 2.152 1.00 0.00 O ATOM 65 CB PRO A 6 2.272 13.164 2.075 1.00 0.00 C ATOM 66 CG PRO A 6 2.740 13.589 3.486 1.00 0.00 C ATOM 67 CD PRO A 6 2.403 15.074 3.661 1.00 0.00 C ATOM 0 HA PRO A 6 1.991 14.572 0.427 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.569 12.333 2.137 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.116 12.824 1.476 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.243 12.991 4.250 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.811 13.424 3.599 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.668 15.223 4.452 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.286 15.651 3.934 1.00 0.00 H new ATOM 75 N ILE A 7 -0.306 13.477 0.333 1.00 0.00 N ATOM 76 CA ILE A 7 -1.753 13.232 0.175 1.00 0.00 C ATOM 77 C ILE A 7 -1.978 11.768 -0.164 1.00 0.00 C ATOM 78 O ILE A 7 -1.479 11.250 -1.143 1.00 0.00 O ATOM 79 CB ILE A 7 -2.303 14.151 -0.907 1.00 0.00 C ATOM 80 CG1 ILE A 7 -2.475 15.535 -0.283 1.00 0.00 C ATOM 81 CG2 ILE A 7 -3.651 13.619 -1.380 1.00 0.00 C ATOM 82 CD1 ILE A 7 -2.886 16.562 -1.331 1.00 0.00 C ATOM 0 H ILE A 7 0.289 13.060 -0.383 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.282 13.450 1.103 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.630 14.201 -1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.229 15.492 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.541 15.844 0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.049 14.274 -2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.524 12.614 -1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.345 13.588 -0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.001 17.538 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.119 16.621 -2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.832 16.263 -1.782 1.00 0.00 H new ATOM 94 N CYS A 8 -2.704 11.097 0.676 1.00 0.00 N ATOM 95 CA CYS A 8 -2.954 9.655 0.468 1.00 0.00 C ATOM 96 C CYS A 8 -3.614 9.429 -0.885 1.00 0.00 C ATOM 97 O CYS A 8 -4.695 9.910 -1.160 1.00 0.00 O ATOM 98 CB CYS A 8 -3.845 9.133 1.594 1.00 0.00 C ATOM 99 SG CYS A 8 -4.387 7.449 1.219 1.00 0.00 S ATOM 0 H CYS A 8 -3.140 11.493 1.509 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.008 9.113 0.480 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.299 9.147 2.538 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.710 9.784 1.716 1.00 0.00 H new ATOM 104 N GLY A 9 -2.955 8.693 -1.732 1.00 0.00 N ATOM 105 CA GLY A 9 -3.516 8.419 -3.080 1.00 0.00 C ATOM 106 C GLY A 9 -4.810 7.624 -2.935 1.00 0.00 C ATOM 107 O GLY A 9 -5.471 7.309 -3.906 1.00 0.00 O ATOM 0 H GLY A 9 -2.047 8.267 -1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.708 9.355 -3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.797 7.860 -3.679 1.00 0.00 H new ATOM 111 N ALA A 10 -5.176 7.293 -1.728 1.00 0.00 N ATOM 112 CA ALA A 10 -6.425 6.512 -1.516 1.00 0.00 C ATOM 113 C ALA A 10 -7.613 7.468 -1.445 1.00 0.00 C ATOM 114 O ALA A 10 -8.525 7.407 -2.246 1.00 0.00 O ATOM 115 CB ALA A 10 -6.315 5.724 -0.207 1.00 0.00 C ATOM 0 H ALA A 10 -4.663 7.530 -0.879 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.570 5.818 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.229 5.151 -0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.465 5.044 -0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.173 6.416 0.623 1.00 0.00 H new ATOM 121 N CYS A 11 -7.604 8.352 -0.492 1.00 0.00 N ATOM 122 CA CYS A 11 -8.725 9.324 -0.355 1.00 0.00 C ATOM 123 C CYS A 11 -8.312 10.656 -0.976 1.00 0.00 C ATOM 124 O CYS A 11 -9.104 11.570 -1.078 1.00 0.00 O ATOM 125 CB CYS A 11 -9.030 9.541 1.131 1.00 0.00 C ATOM 126 SG CYS A 11 -7.504 9.352 2.086 1.00 0.00 S ATOM 0 H CYS A 11 -6.864 8.446 0.204 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.609 8.936 -0.860 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.450 10.535 1.287 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.777 8.823 1.470 1.00 0.00 H new ATOM 131 N ARG A 12 -7.073 10.785 -1.367 1.00 0.00 N ATOM 132 CA ARG A 12 -6.611 12.072 -1.947 1.00 0.00 C ATOM 133 C ARG A 12 -6.732 13.133 -0.857 1.00 0.00 C ATOM 134 O ARG A 12 -7.093 14.266 -1.105 1.00 0.00 O ATOM 135 CB ARG A 12 -7.473 12.462 -3.156 1.00 0.00 C ATOM 136 CG ARG A 12 -7.649 11.256 -4.088 1.00 0.00 C ATOM 137 CD ARG A 12 -6.339 10.975 -4.826 1.00 0.00 C ATOM 138 NE ARG A 12 -5.876 12.213 -5.514 1.00 0.00 N ATOM 139 CZ ARG A 12 -4.650 12.298 -5.951 1.00 0.00 C ATOM 140 NH1 ARG A 12 -3.827 11.298 -5.786 1.00 0.00 N ATOM 141 NH2 ARG A 12 -4.246 13.382 -6.554 1.00 0.00 N ATOM 0 H ARG A 12 -6.364 10.054 -1.309 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.580 11.982 -2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.447 12.816 -2.819 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.004 13.284 -3.697 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.947 10.380 -3.512 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.446 11.452 -4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.580 10.633 -4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.484 10.176 -5.553 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.518 12.995 -5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.143 10.450 -5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.868 11.365 -6.128 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.889 14.163 -6.684 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.287 13.448 -6.896 1.00 0.00 H new ATOM 155 N ARG A 13 -6.432 12.753 0.360 1.00 0.00 N ATOM 156 CA ARG A 13 -6.520 13.703 1.505 1.00 0.00 C ATOM 157 C ARG A 13 -5.099 13.963 2.026 1.00 0.00 C ATOM 158 O ARG A 13 -4.284 13.063 2.030 1.00 0.00 O ATOM 159 CB ARG A 13 -7.363 13.064 2.623 1.00 0.00 C ATOM 160 CG ARG A 13 -8.769 13.679 2.656 1.00 0.00 C ATOM 161 CD ARG A 13 -9.381 13.682 1.251 1.00 0.00 C ATOM 162 NE ARG A 13 -9.283 15.052 0.672 1.00 0.00 N ATOM 163 CZ ARG A 13 -9.471 15.235 -0.607 1.00 0.00 C ATOM 164 NH1 ARG A 13 -9.748 14.220 -1.378 1.00 0.00 N ATOM 165 NH2 ARG A 13 -9.382 16.435 -1.114 1.00 0.00 N ATOM 0 H ARG A 13 -6.126 11.812 0.609 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.982 14.638 1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.434 11.988 2.463 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.873 13.211 3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.405 13.113 3.336 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.719 14.698 3.040 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.860 12.968 0.614 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.424 13.368 1.296 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.069 15.846 1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.818 13.283 -0.982 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.895 14.364 -2.377 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.166 17.229 -0.511 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.529 16.579 -2.113 1.00 0.00 H new ATOM 179 N PRO A 14 -4.834 15.173 2.454 1.00 0.00 N ATOM 180 CA PRO A 14 -3.504 15.530 2.974 1.00 0.00 C ATOM 181 C PRO A 14 -3.114 14.599 4.125 1.00 0.00 C ATOM 182 O PRO A 14 -3.710 14.618 5.183 1.00 0.00 O ATOM 183 CB PRO A 14 -3.645 16.985 3.444 1.00 0.00 C ATOM 184 CG PRO A 14 -5.069 17.464 3.088 1.00 0.00 C ATOM 185 CD PRO A 14 -5.818 16.276 2.460 1.00 0.00 C ATOM 0 HA PRO A 14 -2.718 15.427 2.226 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.476 17.057 4.518 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.899 17.616 2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.588 17.816 3.979 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.028 18.302 2.392 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.703 16.014 3.040 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.157 16.510 1.451 1.00 0.00 H new ATOM 193 N ILE A 15 -2.109 13.785 3.923 1.00 0.00 N ATOM 194 CA ILE A 15 -1.680 12.858 5.011 1.00 0.00 C ATOM 195 C ILE A 15 -1.023 13.677 6.125 1.00 0.00 C ATOM 196 O ILE A 15 -0.591 14.791 5.907 1.00 0.00 O ATOM 197 CB ILE A 15 -0.699 11.816 4.458 1.00 0.00 C ATOM 198 CG1 ILE A 15 -1.416 10.949 3.418 1.00 0.00 C ATOM 199 CG2 ILE A 15 -0.200 10.920 5.594 1.00 0.00 C ATOM 200 CD1 ILE A 15 -0.408 10.444 2.380 1.00 0.00 C ATOM 0 H ILE A 15 -1.571 13.723 3.058 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.545 12.330 5.412 1.00 0.00 H new ATOM 0 HB ILE A 15 0.147 12.327 3.999 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.902 10.105 3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.199 11.527 2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.496 10.182 5.196 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.306 11.530 6.343 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.046 10.410 6.053 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.923 9.828 1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.057 11.294 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.359 9.850 2.877 1.00 0.00 H new ATOM 212 N GLU A 16 -0.959 13.156 7.322 1.00 0.00 N ATOM 213 CA GLU A 16 -0.343 13.949 8.430 1.00 0.00 C ATOM 214 C GLU A 16 0.074 13.033 9.584 1.00 0.00 C ATOM 215 O GLU A 16 -0.393 13.163 10.698 1.00 0.00 O ATOM 216 CB GLU A 16 -1.357 14.980 8.937 1.00 0.00 C ATOM 217 CG GLU A 16 -2.751 14.353 8.972 1.00 0.00 C ATOM 218 CD GLU A 16 -3.675 15.207 9.843 1.00 0.00 C ATOM 219 OE1 GLU A 16 -3.292 15.507 10.962 1.00 0.00 O ATOM 220 OE2 GLU A 16 -4.749 15.548 9.376 1.00 0.00 O ATOM 0 H GLU A 16 -1.300 12.230 7.580 1.00 0.00 H new ATOM 0 HA GLU A 16 0.545 14.454 8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.076 15.322 9.933 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.357 15.855 8.287 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.153 14.279 7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.695 13.339 9.368 1.00 0.00 H new ATOM 227 N GLY A 17 0.961 12.121 9.322 1.00 0.00 N ATOM 228 CA GLY A 17 1.440 11.195 10.386 1.00 0.00 C ATOM 229 C GLY A 17 2.545 10.339 9.790 1.00 0.00 C ATOM 230 O GLY A 17 3.658 10.786 9.596 1.00 0.00 O ATOM 0 H GLY A 17 1.382 11.973 8.405 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.811 11.757 11.243 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.623 10.569 10.745 1.00 0.00 H new ATOM 234 N ARG A 18 2.231 9.126 9.458 1.00 0.00 N ATOM 235 CA ARG A 18 3.235 8.236 8.821 1.00 0.00 C ATOM 236 C ARG A 18 2.766 7.987 7.394 1.00 0.00 C ATOM 237 O ARG A 18 1.664 7.533 7.160 1.00 0.00 O ATOM 238 CB ARG A 18 3.336 6.921 9.585 1.00 0.00 C ATOM 239 CG ARG A 18 4.108 7.149 10.885 1.00 0.00 C ATOM 240 CD ARG A 18 4.467 5.801 11.507 1.00 0.00 C ATOM 241 NE ARG A 18 3.247 5.185 12.100 1.00 0.00 N ATOM 242 CZ ARG A 18 3.243 3.920 12.418 1.00 0.00 C ATOM 243 NH1 ARG A 18 4.308 3.193 12.217 1.00 0.00 N ATOM 244 NH2 ARG A 18 2.173 3.380 12.936 1.00 0.00 N ATOM 0 H ARG A 18 1.312 8.706 9.601 1.00 0.00 H new ATOM 0 HA ARG A 18 4.223 8.696 8.829 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.340 6.537 9.803 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.841 6.171 8.976 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.013 7.723 10.687 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.506 7.734 11.580 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.889 5.140 10.750 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.229 5.934 12.275 1.00 0.00 H new ATOM 0 HE ARG A 18 2.414 5.753 12.257 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.144 3.614 11.811 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.305 2.204 12.466 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.340 3.947 13.092 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.170 2.391 13.185 1.00 0.00 H new ATOM 258 N VAL A 19 3.572 8.333 6.437 1.00 0.00 N ATOM 259 CA VAL A 19 3.155 8.175 5.014 1.00 0.00 C ATOM 260 C VAL A 19 3.744 6.909 4.402 1.00 0.00 C ATOM 261 O VAL A 19 4.740 6.383 4.858 1.00 0.00 O ATOM 262 CB VAL A 19 3.653 9.385 4.218 1.00 0.00 C ATOM 263 CG1 VAL A 19 3.140 9.311 2.774 1.00 0.00 C ATOM 264 CG2 VAL A 19 3.143 10.675 4.870 1.00 0.00 C ATOM 0 H VAL A 19 4.506 8.720 6.575 1.00 0.00 H new ATOM 0 HA VAL A 19 2.068 8.103 4.978 1.00 0.00 H new ATOM 0 HB VAL A 19 4.743 9.381 4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.499 10.175 2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.506 8.398 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.050 9.307 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.498 11.535 4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.053 10.672 4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.514 10.737 5.893 1.00 0.00 H new ATOM 274 N VAL A 20 3.142 6.445 3.339 1.00 0.00 N ATOM 275 CA VAL A 20 3.657 5.241 2.638 1.00 0.00 C ATOM 276 C VAL A 20 3.909 5.638 1.191 1.00 0.00 C ATOM 277 O VAL A 20 3.002 6.006 0.478 1.00 0.00 O ATOM 278 CB VAL A 20 2.628 4.109 2.698 1.00 0.00 C ATOM 279 CG1 VAL A 20 2.892 3.111 1.564 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.752 3.388 4.040 1.00 0.00 C ATOM 0 H VAL A 20 2.306 6.857 2.925 1.00 0.00 H new ATOM 0 HA VAL A 20 4.573 4.885 3.110 1.00 0.00 H new ATOM 0 HB VAL A 20 1.626 4.524 2.590 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.158 2.306 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.812 3.621 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.894 2.695 1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.021 2.581 4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.756 2.975 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.567 4.093 4.850 1.00 0.00 H new ATOM 290 N ASN A 21 5.130 5.592 0.754 1.00 0.00 N ATOM 291 CA ASN A 21 5.420 5.993 -0.647 1.00 0.00 C ATOM 292 C ASN A 21 5.311 4.775 -1.559 1.00 0.00 C ATOM 293 O ASN A 21 6.163 3.909 -1.567 1.00 0.00 O ATOM 294 CB ASN A 21 6.825 6.579 -0.726 1.00 0.00 C ATOM 295 CG ASN A 21 6.881 7.885 0.068 1.00 0.00 C ATOM 296 OD1 ASN A 21 7.913 8.522 0.141 1.00 0.00 O ATOM 297 ND2 ASN A 21 5.806 8.312 0.673 1.00 0.00 N ATOM 0 H ASN A 21 5.938 5.296 1.302 1.00 0.00 H new ATOM 0 HA ASN A 21 4.700 6.745 -0.969 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.549 5.868 -0.328 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.096 6.762 -1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.832 9.181 1.207 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.940 7.777 0.612 1.00 0.00 H new ATOM 304 N ALA A 22 4.263 4.704 -2.329 1.00 0.00 N ATOM 305 CA ALA A 22 4.081 3.548 -3.248 1.00 0.00 C ATOM 306 C ALA A 22 3.407 4.034 -4.528 1.00 0.00 C ATOM 307 O ALA A 22 2.794 5.083 -4.554 1.00 0.00 O ATOM 308 CB ALA A 22 3.194 2.502 -2.575 1.00 0.00 C ATOM 0 H ALA A 22 3.520 5.402 -2.361 1.00 0.00 H new ATOM 0 HA ALA A 22 5.049 3.106 -3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.059 1.654 -3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.666 2.164 -1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.223 2.941 -2.346 1.00 0.00 H new ATOM 314 N MET A 23 3.516 3.290 -5.593 1.00 0.00 N ATOM 315 CA MET A 23 2.879 3.727 -6.863 1.00 0.00 C ATOM 316 C MET A 23 3.443 5.088 -7.229 1.00 0.00 C ATOM 317 O MET A 23 2.890 5.821 -8.023 1.00 0.00 O ATOM 318 CB MET A 23 1.366 3.848 -6.672 1.00 0.00 C ATOM 319 CG MET A 23 0.827 2.636 -5.904 1.00 0.00 C ATOM 320 SD MET A 23 0.701 1.224 -7.028 1.00 0.00 S ATOM 321 CE MET A 23 1.210 -0.062 -5.862 1.00 0.00 C ATOM 0 H MET A 23 4.017 2.402 -5.638 1.00 0.00 H new ATOM 0 HA MET A 23 3.080 3.000 -7.650 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.134 4.764 -6.129 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.875 3.920 -7.642 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.488 2.395 -5.072 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.150 2.865 -5.479 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.576 -0.928 -6.413 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.003 0.322 -5.221 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.358 -0.355 -5.249 1.00 0.00 H new ATOM 331 N GLY A 24 4.536 5.430 -6.628 1.00 0.00 N ATOM 332 CA GLY A 24 5.155 6.753 -6.898 1.00 0.00 C ATOM 333 C GLY A 24 4.271 7.826 -6.272 1.00 0.00 C ATOM 334 O GLY A 24 4.241 8.963 -6.701 1.00 0.00 O ATOM 0 H GLY A 24 5.035 4.848 -5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.160 6.796 -6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.250 6.917 -7.971 1.00 0.00 H new ATOM 338 N LYS A 25 3.534 7.450 -5.264 1.00 0.00 N ATOM 339 CA LYS A 25 2.616 8.407 -4.585 1.00 0.00 C ATOM 340 C LYS A 25 2.824 8.340 -3.073 1.00 0.00 C ATOM 341 O LYS A 25 3.870 7.967 -2.588 1.00 0.00 O ATOM 342 CB LYS A 25 1.169 8.010 -4.906 1.00 0.00 C ATOM 343 CG LYS A 25 0.903 8.145 -6.416 1.00 0.00 C ATOM 344 CD LYS A 25 -0.347 9.002 -6.650 1.00 0.00 C ATOM 345 CE LYS A 25 -0.834 8.823 -8.090 1.00 0.00 C ATOM 346 NZ LYS A 25 -1.633 10.014 -8.494 1.00 0.00 N ATOM 0 H LYS A 25 3.529 6.506 -4.877 1.00 0.00 H new ATOM 0 HA LYS A 25 2.820 9.420 -4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.987 6.984 -4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.478 8.644 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.764 8.600 -6.907 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.767 7.159 -6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.133 8.714 -5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.121 10.051 -6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.016 8.698 -8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.440 7.920 -8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.965 9.894 -9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.452 10.114 -7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.041 10.867 -8.431 1.00 0.00 H new ATOM 360 N GLN A 26 1.813 8.697 -2.338 1.00 0.00 N ATOM 361 CA GLN A 26 1.874 8.670 -0.855 1.00 0.00 C ATOM 362 C GLN A 26 0.565 8.039 -0.380 1.00 0.00 C ATOM 363 O GLN A 26 -0.466 8.232 -0.994 1.00 0.00 O ATOM 364 CB GLN A 26 1.993 10.108 -0.348 1.00 0.00 C ATOM 365 CG GLN A 26 3.453 10.579 -0.504 1.00 0.00 C ATOM 366 CD GLN A 26 3.506 12.062 -0.897 1.00 0.00 C ATOM 367 OE1 GLN A 26 4.573 12.604 -1.103 1.00 0.00 O ATOM 368 NE2 GLN A 26 2.400 12.743 -1.010 1.00 0.00 N ATOM 0 H GLN A 26 0.921 9.016 -2.716 1.00 0.00 H new ATOM 0 HA GLN A 26 2.727 8.102 -0.484 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.325 10.761 -0.910 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.689 10.164 0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.991 10.426 0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.955 9.978 -1.263 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.502 12.290 -0.838 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.432 13.729 -1.271 1.00 0.00 H new ATOM 377 N TRP A 27 0.576 7.260 0.667 1.00 0.00 N ATOM 378 CA TRP A 27 -0.698 6.612 1.098 1.00 0.00 C ATOM 379 C TRP A 27 -0.797 6.580 2.619 1.00 0.00 C ATOM 380 O TRP A 27 0.172 6.314 3.303 1.00 0.00 O ATOM 381 CB TRP A 27 -0.711 5.181 0.559 1.00 0.00 C ATOM 382 CG TRP A 27 -0.515 5.206 -0.923 1.00 0.00 C ATOM 383 CD1 TRP A 27 0.681 5.276 -1.553 1.00 0.00 C ATOM 384 CD2 TRP A 27 -1.523 5.162 -1.965 1.00 0.00 C ATOM 385 NE1 TRP A 27 0.464 5.286 -2.920 1.00 0.00 N ATOM 386 CE2 TRP A 27 -0.881 5.217 -3.223 1.00 0.00 C ATOM 387 CE3 TRP A 27 -2.920 5.083 -1.936 1.00 0.00 C ATOM 388 CZ2 TRP A 27 -1.608 5.195 -4.413 1.00 0.00 C ATOM 389 CZ3 TRP A 27 -3.656 5.060 -3.126 1.00 0.00 C ATOM 390 CH2 TRP A 27 -3.002 5.118 -4.365 1.00 0.00 C ATOM 0 H TRP A 27 1.396 7.046 1.235 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.544 7.179 0.711 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.078 4.596 1.031 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -1.657 4.697 0.804 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.646 5.317 -1.069 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.206 5.338 -3.618 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.434 5.039 -0.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -1.097 5.237 -5.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.734 4.997 -3.090 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.575 5.103 -5.280 1.00 0.00 H new ATOM 401 N HIS A 28 -1.966 6.806 3.168 1.00 0.00 N ATOM 402 CA HIS A 28 -2.085 6.733 4.650 1.00 0.00 C ATOM 403 C HIS A 28 -1.625 5.339 5.059 1.00 0.00 C ATOM 404 O HIS A 28 -2.044 4.352 4.488 1.00 0.00 O ATOM 405 CB HIS A 28 -3.540 6.917 5.095 1.00 0.00 C ATOM 406 CG HIS A 28 -3.896 8.376 5.133 1.00 0.00 C ATOM 407 ND1 HIS A 28 -4.845 8.923 4.287 1.00 0.00 N ATOM 408 CD2 HIS A 28 -3.455 9.409 5.921 1.00 0.00 C ATOM 409 CE1 HIS A 28 -4.945 10.232 4.579 1.00 0.00 C ATOM 410 NE2 HIS A 28 -4.119 10.581 5.568 1.00 0.00 N ATOM 0 H HIS A 28 -2.823 7.033 2.664 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.487 7.519 5.111 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.206 6.392 4.410 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.684 6.475 6.081 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -2.708 9.326 6.696 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.611 10.917 4.075 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -4.000 11.508 5.977 1.00 0.00 H new ATOM 418 N VAL A 29 -0.778 5.234 6.031 1.00 0.00 N ATOM 419 CA VAL A 29 -0.316 3.891 6.447 1.00 0.00 C ATOM 420 C VAL A 29 -1.540 3.022 6.713 1.00 0.00 C ATOM 421 O VAL A 29 -1.456 1.815 6.824 1.00 0.00 O ATOM 422 CB VAL A 29 0.512 4.028 7.721 1.00 0.00 C ATOM 423 CG1 VAL A 29 0.575 2.683 8.447 1.00 0.00 C ATOM 424 CG2 VAL A 29 1.921 4.484 7.348 1.00 0.00 C ATOM 0 H VAL A 29 -0.385 6.016 6.555 1.00 0.00 H new ATOM 0 HA VAL A 29 0.295 3.435 5.669 1.00 0.00 H new ATOM 0 HB VAL A 29 0.051 4.762 8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.168 2.788 9.356 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.434 2.362 8.707 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.036 1.940 7.797 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.522 4.585 8.252 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.379 3.747 6.688 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.869 5.446 6.837 1.00 0.00 H new ATOM 434 N GLU A 30 -2.678 3.643 6.828 1.00 0.00 N ATOM 435 CA GLU A 30 -3.925 2.886 7.105 1.00 0.00 C ATOM 436 C GLU A 30 -4.677 2.591 5.798 1.00 0.00 C ATOM 437 O GLU A 30 -5.419 1.634 5.710 1.00 0.00 O ATOM 438 CB GLU A 30 -4.815 3.723 8.031 1.00 0.00 C ATOM 439 CG GLU A 30 -6.202 3.085 8.148 1.00 0.00 C ATOM 440 CD GLU A 30 -6.060 1.615 8.548 1.00 0.00 C ATOM 441 OE1 GLU A 30 -5.668 1.362 9.675 1.00 0.00 O ATOM 442 OE2 GLU A 30 -6.346 0.766 7.719 1.00 0.00 O ATOM 0 H GLU A 30 -2.798 4.652 6.741 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.672 1.938 7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.357 3.799 9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.905 4.737 7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.797 3.618 8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.731 3.164 7.198 1.00 0.00 H new ATOM 449 N HIS A 31 -4.511 3.410 4.788 1.00 0.00 N ATOM 450 CA HIS A 31 -5.246 3.164 3.507 1.00 0.00 C ATOM 451 C HIS A 31 -4.360 2.427 2.508 1.00 0.00 C ATOM 452 O HIS A 31 -4.821 2.001 1.467 1.00 0.00 O ATOM 453 CB HIS A 31 -5.704 4.497 2.904 1.00 0.00 C ATOM 454 CG HIS A 31 -6.710 5.141 3.822 1.00 0.00 C ATOM 455 ND1 HIS A 31 -6.883 6.521 3.908 1.00 0.00 N ATOM 456 CD2 HIS A 31 -7.615 4.600 4.704 1.00 0.00 C ATOM 457 CE1 HIS A 31 -7.855 6.748 4.811 1.00 0.00 C ATOM 458 NE2 HIS A 31 -8.334 5.615 5.325 1.00 0.00 N ATOM 0 H HIS A 31 -3.905 4.230 4.794 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.116 2.544 3.724 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.849 5.158 2.762 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.145 4.332 1.921 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.748 3.544 4.887 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -8.205 7.732 5.087 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -9.070 5.514 6.024 1.00 0.00 H new ATOM 466 N PHE A 32 -3.107 2.231 2.807 1.00 0.00 N ATOM 467 CA PHE A 32 -2.258 1.477 1.851 1.00 0.00 C ATOM 468 C PHE A 32 -2.536 0.003 2.080 1.00 0.00 C ATOM 469 O PHE A 32 -2.151 -0.564 3.083 1.00 0.00 O ATOM 470 CB PHE A 32 -0.772 1.767 2.064 1.00 0.00 C ATOM 471 CG PHE A 32 -0.013 1.263 0.856 1.00 0.00 C ATOM 472 CD1 PHE A 32 -0.285 1.799 -0.412 1.00 0.00 C ATOM 473 CD2 PHE A 32 0.944 0.251 0.993 1.00 0.00 C ATOM 474 CE1 PHE A 32 0.399 1.324 -1.534 1.00 0.00 C ATOM 475 CE2 PHE A 32 1.625 -0.224 -0.135 1.00 0.00 C ATOM 476 CZ PHE A 32 1.352 0.311 -1.396 1.00 0.00 C ATOM 0 H PHE A 32 -2.643 2.554 3.656 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.495 1.776 0.830 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.609 2.837 2.196 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.415 1.276 2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.024 2.579 -0.521 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.157 -0.163 1.967 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.191 1.740 -2.509 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.363 -1.006 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.877 -0.058 -2.264 1.00 0.00 H new ATOM 486 N VAL A 33 -3.250 -0.607 1.185 1.00 0.00 N ATOM 487 CA VAL A 33 -3.615 -2.034 1.369 1.00 0.00 C ATOM 488 C VAL A 33 -3.355 -2.835 0.104 1.00 0.00 C ATOM 489 O VAL A 33 -2.987 -2.314 -0.931 1.00 0.00 O ATOM 490 CB VAL A 33 -5.110 -2.117 1.676 1.00 0.00 C ATOM 491 CG1 VAL A 33 -5.452 -1.290 2.924 1.00 0.00 C ATOM 492 CG2 VAL A 33 -5.893 -1.578 0.471 1.00 0.00 C ATOM 0 H VAL A 33 -3.599 -0.177 0.328 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.012 -2.442 2.180 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.380 -3.156 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.521 -1.362 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.894 -1.673 3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.184 -0.247 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.962 -1.632 0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.611 -0.541 0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.663 -2.177 -0.410 1.00 0.00 H new ATOM 502 N CYS A 34 -3.577 -4.109 0.197 1.00 0.00 N ATOM 503 CA CYS A 34 -3.392 -5.006 -0.967 1.00 0.00 C ATOM 504 C CYS A 34 -4.412 -4.652 -2.050 1.00 0.00 C ATOM 505 O CYS A 34 -5.506 -4.209 -1.765 1.00 0.00 O ATOM 506 CB CYS A 34 -3.617 -6.438 -0.498 1.00 0.00 C ATOM 507 SG CYS A 34 -4.005 -7.506 -1.906 1.00 0.00 S ATOM 0 H CYS A 34 -3.886 -4.576 1.049 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.389 -4.896 -1.379 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.726 -6.805 0.011 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.432 -6.467 0.225 1.00 0.00 H new ATOM 512 N ALA A 35 -4.060 -4.839 -3.290 1.00 0.00 N ATOM 513 CA ALA A 35 -5.003 -4.511 -4.392 1.00 0.00 C ATOM 514 C ALA A 35 -5.853 -5.744 -4.733 1.00 0.00 C ATOM 515 O ALA A 35 -6.342 -5.884 -5.835 1.00 0.00 O ATOM 516 CB ALA A 35 -4.193 -4.083 -5.613 1.00 0.00 C ATOM 0 H ALA A 35 -3.156 -5.206 -3.588 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.668 -3.703 -4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.870 -3.839 -6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.594 -3.207 -5.364 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.535 -4.897 -5.917 1.00 0.00 H new ATOM 522 N LYS A 36 -6.033 -6.636 -3.789 1.00 0.00 N ATOM 523 CA LYS A 36 -6.855 -7.863 -4.050 1.00 0.00 C ATOM 524 C LYS A 36 -7.805 -8.122 -2.879 1.00 0.00 C ATOM 525 O LYS A 36 -8.888 -8.643 -3.055 1.00 0.00 O ATOM 526 CB LYS A 36 -5.934 -9.083 -4.208 1.00 0.00 C ATOM 527 CG LYS A 36 -6.766 -10.349 -4.444 1.00 0.00 C ATOM 528 CD LYS A 36 -7.627 -10.183 -5.702 1.00 0.00 C ATOM 529 CE LYS A 36 -7.972 -11.560 -6.274 1.00 0.00 C ATOM 530 NZ LYS A 36 -8.512 -12.427 -5.191 1.00 0.00 N ATOM 0 H LYS A 36 -5.646 -6.569 -2.848 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.429 -7.705 -4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.252 -8.927 -5.044 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.321 -9.203 -3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.108 -11.211 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.402 -10.542 -3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.540 -9.639 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.092 -9.593 -6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.706 -11.460 -7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.084 -12.017 -6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.050 -13.212 -5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.726 -12.809 -4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.138 -11.867 -4.578 1.00 0.00 H new ATOM 544 N CYS A 37 -7.399 -7.789 -1.683 1.00 0.00 N ATOM 545 CA CYS A 37 -8.269 -8.047 -0.494 1.00 0.00 C ATOM 546 C CYS A 37 -8.420 -6.776 0.340 1.00 0.00 C ATOM 547 O CYS A 37 -9.253 -6.701 1.220 1.00 0.00 O ATOM 548 CB CYS A 37 -7.614 -9.129 0.360 1.00 0.00 C ATOM 549 SG CYS A 37 -5.998 -8.539 0.905 1.00 0.00 S ATOM 0 H CYS A 37 -6.502 -7.349 -1.476 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.255 -8.367 -0.830 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.241 -9.362 1.221 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.506 -10.049 -0.214 1.00 0.00 H new ATOM 554 N GLU A 38 -7.622 -5.779 0.078 1.00 0.00 N ATOM 555 CA GLU A 38 -7.717 -4.523 0.859 1.00 0.00 C ATOM 556 C GLU A 38 -7.271 -4.769 2.298 1.00 0.00 C ATOM 557 O GLU A 38 -7.914 -4.346 3.236 1.00 0.00 O ATOM 558 CB GLU A 38 -9.156 -3.992 0.841 1.00 0.00 C ATOM 559 CG GLU A 38 -9.752 -4.157 -0.562 1.00 0.00 C ATOM 560 CD GLU A 38 -10.899 -3.161 -0.752 1.00 0.00 C ATOM 561 OE1 GLU A 38 -10.626 -1.972 -0.791 1.00 0.00 O ATOM 562 OE2 GLU A 38 -12.032 -3.603 -0.856 1.00 0.00 O ATOM 0 H GLU A 38 -6.906 -5.784 -0.648 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.063 -3.778 0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.762 -4.531 1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.169 -2.941 1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.983 -3.990 -1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.115 -5.176 -0.696 1.00 0.00 H new ATOM 569 N LYS A 39 -6.157 -5.429 2.473 1.00 0.00 N ATOM 570 CA LYS A 39 -5.636 -5.678 3.847 1.00 0.00 C ATOM 571 C LYS A 39 -4.512 -4.661 4.108 1.00 0.00 C ATOM 572 O LYS A 39 -3.457 -4.764 3.516 1.00 0.00 O ATOM 573 CB LYS A 39 -5.075 -7.103 3.934 1.00 0.00 C ATOM 574 CG LYS A 39 -5.011 -7.554 5.404 1.00 0.00 C ATOM 575 CD LYS A 39 -3.565 -7.880 5.788 1.00 0.00 C ATOM 576 CE LYS A 39 -3.533 -8.484 7.192 1.00 0.00 C ATOM 577 NZ LYS A 39 -4.280 -7.601 8.131 1.00 0.00 N ATOM 0 H LYS A 39 -5.584 -5.808 1.719 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.430 -5.571 4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.704 -7.786 3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.080 -7.139 3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.400 -6.768 6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.642 -8.430 5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.136 -8.579 5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.957 -6.976 5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.977 -9.479 7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.502 -8.599 7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.013 -7.830 9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.048 -6.607 7.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.302 -7.749 8.008 1.00 0.00 H new ATOM 591 N PRO A 40 -4.772 -3.680 4.944 1.00 0.00 N ATOM 592 CA PRO A 40 -3.784 -2.622 5.226 1.00 0.00 C ATOM 593 C PRO A 40 -2.565 -3.158 5.963 1.00 0.00 C ATOM 594 O PRO A 40 -2.664 -3.941 6.888 1.00 0.00 O ATOM 595 CB PRO A 40 -4.523 -1.614 6.110 1.00 0.00 C ATOM 596 CG PRO A 40 -5.896 -2.223 6.464 1.00 0.00 C ATOM 597 CD PRO A 40 -6.045 -3.536 5.676 1.00 0.00 C ATOM 0 HA PRO A 40 -3.410 -2.185 4.300 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.951 -1.407 7.015 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.648 -0.666 5.587 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.966 -2.410 7.535 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.698 -1.531 6.208 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.216 -4.381 6.343 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.893 -3.493 4.992 1.00 0.00 H new ATOM 605 N PHE A 41 -1.415 -2.700 5.570 1.00 0.00 N ATOM 606 CA PHE A 41 -0.158 -3.131 6.253 1.00 0.00 C ATOM 607 C PHE A 41 0.217 -2.095 7.312 1.00 0.00 C ATOM 608 O PHE A 41 1.298 -1.540 7.291 1.00 0.00 O ATOM 609 CB PHE A 41 0.987 -3.245 5.247 1.00 0.00 C ATOM 610 CG PHE A 41 0.448 -3.678 3.913 1.00 0.00 C ATOM 611 CD1 PHE A 41 -0.099 -2.733 3.040 1.00 0.00 C ATOM 612 CD2 PHE A 41 0.506 -5.024 3.545 1.00 0.00 C ATOM 613 CE1 PHE A 41 -0.590 -3.139 1.792 1.00 0.00 C ATOM 614 CE2 PHE A 41 0.016 -5.430 2.304 1.00 0.00 C ATOM 615 CZ PHE A 41 -0.532 -4.489 1.424 1.00 0.00 C ATOM 0 H PHE A 41 -1.285 -2.042 4.802 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.325 -4.104 6.714 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.496 -2.286 5.150 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.726 -3.964 5.602 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.143 -1.693 3.327 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.930 -5.751 4.222 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.013 -2.412 1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.059 -6.471 2.021 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.910 -4.804 0.462 1.00 0.00 H new ATOM 625 N LEU A 42 -0.663 -1.823 8.234 1.00 0.00 N ATOM 626 CA LEU A 42 -0.349 -0.816 9.291 1.00 0.00 C ATOM 627 C LEU A 42 1.112 -0.974 9.711 1.00 0.00 C ATOM 628 O LEU A 42 1.893 -0.044 9.660 1.00 0.00 O ATOM 629 CB LEU A 42 -1.251 -1.060 10.503 1.00 0.00 C ATOM 630 CG LEU A 42 -2.572 -0.309 10.317 1.00 0.00 C ATOM 631 CD1 LEU A 42 -3.229 -0.781 9.033 1.00 0.00 C ATOM 632 CD2 LEU A 42 -3.509 -0.592 11.493 1.00 0.00 C ATOM 0 H LEU A 42 -1.586 -2.253 8.303 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.517 0.190 8.906 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.441 -2.127 10.619 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.754 -0.723 11.413 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.374 0.762 10.269 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.171 -0.252 8.891 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.568 -0.578 8.190 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.420 -1.852 9.095 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.445 -0.053 11.350 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.711 -1.662 11.548 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.039 -0.263 12.420 1.00 0.00 H new ATOM 644 N GLY A 43 1.482 -2.154 10.113 1.00 0.00 N ATOM 645 CA GLY A 43 2.892 -2.409 10.527 1.00 0.00 C ATOM 646 C GLY A 43 3.372 -3.711 9.887 1.00 0.00 C ATOM 647 O GLY A 43 4.204 -4.411 10.429 1.00 0.00 O ATOM 0 H GLY A 43 0.864 -2.963 10.174 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.530 -1.581 10.219 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.959 -2.476 11.613 1.00 0.00 H new ATOM 651 N HIS A 44 2.845 -4.040 8.737 1.00 0.00 N ATOM 652 CA HIS A 44 3.258 -5.304 8.051 1.00 0.00 C ATOM 653 C HIS A 44 3.924 -4.974 6.713 1.00 0.00 C ATOM 654 O HIS A 44 3.984 -3.834 6.299 1.00 0.00 O ATOM 655 CB HIS A 44 2.022 -6.179 7.802 1.00 0.00 C ATOM 656 CG HIS A 44 1.006 -5.939 8.884 1.00 0.00 C ATOM 657 ND1 HIS A 44 -0.353 -5.862 8.619 1.00 0.00 N ATOM 658 CD2 HIS A 44 1.135 -5.754 10.238 1.00 0.00 C ATOM 659 CE1 HIS A 44 -0.982 -5.642 9.789 1.00 0.00 C ATOM 660 NE2 HIS A 44 -0.122 -5.568 10.807 1.00 0.00 N ATOM 0 H HIS A 44 2.145 -3.488 8.241 1.00 0.00 H new ATOM 0 HA HIS A 44 3.965 -5.840 8.684 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.591 -5.948 6.828 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.307 -7.231 7.784 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.069 -5.753 10.780 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -2.052 -5.538 9.891 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.339 -5.409 11.791 1.00 0.00 H new ATOM 668 N ARG A 45 4.425 -5.971 6.034 1.00 0.00 N ATOM 669 CA ARG A 45 5.088 -5.729 4.719 1.00 0.00 C ATOM 670 C ARG A 45 4.049 -5.808 3.602 1.00 0.00 C ATOM 671 O ARG A 45 3.078 -6.532 3.694 1.00 0.00 O ATOM 672 CB ARG A 45 6.163 -6.799 4.472 1.00 0.00 C ATOM 673 CG ARG A 45 5.841 -8.050 5.292 1.00 0.00 C ATOM 674 CD ARG A 45 6.802 -9.185 4.911 1.00 0.00 C ATOM 675 NE ARG A 45 6.092 -10.500 4.983 1.00 0.00 N ATOM 676 CZ ARG A 45 5.299 -10.787 5.984 1.00 0.00 C ATOM 677 NH1 ARG A 45 5.191 -9.974 6.998 1.00 0.00 N ATOM 678 NH2 ARG A 45 4.636 -11.910 5.981 1.00 0.00 N ATOM 0 H ARG A 45 4.404 -6.946 6.334 1.00 0.00 H new ATOM 0 HA ARG A 45 5.549 -4.741 4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.205 -7.048 3.412 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.144 -6.413 4.748 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.927 -7.830 6.356 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.811 -8.358 5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.187 -9.024 3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.660 -9.188 5.583 1.00 0.00 H new ATOM 0 HE ARG A 45 6.228 -11.185 4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.727 -9.106 7.015 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.571 -10.206 7.774 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.737 -12.560 5.201 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.017 -12.139 6.759 1.00 0.00 H new ATOM 692 N HIS A 46 4.265 -5.088 2.536 1.00 0.00 N ATOM 693 CA HIS A 46 3.310 -5.136 1.390 1.00 0.00 C ATOM 694 C HIS A 46 4.048 -5.628 0.156 1.00 0.00 C ATOM 695 O HIS A 46 5.256 -5.761 0.146 1.00 0.00 O ATOM 696 CB HIS A 46 2.740 -3.752 1.099 1.00 0.00 C ATOM 697 CG HIS A 46 3.843 -2.733 1.153 1.00 0.00 C ATOM 698 ND1 HIS A 46 4.240 -2.130 2.334 1.00 0.00 N ATOM 699 CD2 HIS A 46 4.643 -2.202 0.172 1.00 0.00 C ATOM 700 CE1 HIS A 46 5.240 -1.278 2.039 1.00 0.00 C ATOM 701 NE2 HIS A 46 5.525 -1.284 0.734 1.00 0.00 N ATOM 0 H HIS A 46 5.063 -4.466 2.408 1.00 0.00 H new ATOM 0 HA HIS A 46 2.491 -5.808 1.646 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.268 -3.741 0.116 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.967 -3.505 1.827 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.595 -2.458 -0.876 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.749 -0.665 2.768 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.236 -0.734 0.253 1.00 0.00 H new ATOM 709 N TYR A 47 3.321 -5.922 -0.876 1.00 0.00 N ATOM 710 CA TYR A 47 3.951 -6.435 -2.118 1.00 0.00 C ATOM 711 C TYR A 47 3.304 -5.737 -3.320 1.00 0.00 C ATOM 712 O TYR A 47 2.101 -5.594 -3.390 1.00 0.00 O ATOM 713 CB TYR A 47 3.732 -7.943 -2.131 1.00 0.00 C ATOM 714 CG TYR A 47 3.989 -8.453 -0.725 1.00 0.00 C ATOM 715 CD1 TYR A 47 3.047 -8.218 0.290 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.181 -9.119 -0.420 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.295 -8.650 1.595 1.00 0.00 C ATOM 718 CE2 TYR A 47 5.428 -9.545 0.892 1.00 0.00 C ATOM 719 CZ TYR A 47 4.487 -9.309 1.895 1.00 0.00 C ATOM 720 OH TYR A 47 4.739 -9.726 3.186 1.00 0.00 O ATOM 0 H TYR A 47 2.306 -5.829 -0.915 1.00 0.00 H new ATOM 0 HA TYR A 47 5.021 -6.231 -2.166 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.716 -8.180 -2.445 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.405 -8.422 -2.842 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.127 -7.701 0.060 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.910 -9.305 -1.195 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.565 -8.474 2.371 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.349 -10.057 1.127 1.00 0.00 H new ATOM 0 HH TYR A 47 3.915 -9.672 3.714 1.00 0.00 H new ATOM 730 N GLU A 48 4.101 -5.252 -4.242 1.00 0.00 N ATOM 731 CA GLU A 48 3.536 -4.504 -5.411 1.00 0.00 C ATOM 732 C GLU A 48 3.560 -5.341 -6.688 1.00 0.00 C ATOM 733 O GLU A 48 4.413 -6.183 -6.887 1.00 0.00 O ATOM 734 CB GLU A 48 4.369 -3.236 -5.634 1.00 0.00 C ATOM 735 CG GLU A 48 3.888 -2.134 -4.689 1.00 0.00 C ATOM 736 CD GLU A 48 4.723 -0.872 -4.908 1.00 0.00 C ATOM 737 OE1 GLU A 48 4.639 -0.309 -5.987 1.00 0.00 O ATOM 738 OE2 GLU A 48 5.434 -0.489 -3.994 1.00 0.00 O ATOM 0 H GLU A 48 5.117 -5.341 -4.236 1.00 0.00 H new ATOM 0 HA GLU A 48 2.498 -4.259 -5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.424 -3.446 -5.457 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.279 -2.907 -6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.834 -1.921 -4.869 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.975 -2.465 -3.654 1.00 0.00 H new ATOM 745 N ARG A 49 2.625 -5.083 -7.567 1.00 0.00 N ATOM 746 CA ARG A 49 2.575 -5.826 -8.860 1.00 0.00 C ATOM 747 C ARG A 49 2.059 -4.909 -9.975 1.00 0.00 C ATOM 748 O ARG A 49 1.084 -4.201 -9.820 1.00 0.00 O ATOM 749 CB ARG A 49 1.645 -7.034 -8.746 1.00 0.00 C ATOM 750 CG ARG A 49 1.694 -7.838 -10.056 1.00 0.00 C ATOM 751 CD ARG A 49 0.334 -8.477 -10.330 1.00 0.00 C ATOM 752 NE ARG A 49 -0.736 -7.441 -10.312 1.00 0.00 N ATOM 753 CZ ARG A 49 -1.890 -7.689 -10.870 1.00 0.00 C ATOM 754 NH1 ARG A 49 -2.079 -8.813 -11.507 1.00 0.00 N ATOM 755 NH2 ARG A 49 -2.850 -6.808 -10.804 1.00 0.00 N ATOM 0 H ARG A 49 1.891 -4.386 -7.443 1.00 0.00 H new ATOM 0 HA ARG A 49 3.584 -6.165 -9.097 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.947 -7.663 -7.908 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.625 -6.705 -8.546 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.971 -7.184 -10.883 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.461 -8.610 -9.990 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.348 -8.978 -11.298 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.125 -9.239 -9.579 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.568 -6.540 -9.865 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.325 -9.497 -11.569 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.981 -9.007 -11.943 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.699 -5.925 -10.316 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.751 -7.002 -11.240 1.00 0.00 H new ATOM 769 N LYS A 50 2.720 -4.934 -11.100 1.00 0.00 N ATOM 770 CA LYS A 50 2.316 -4.096 -12.261 1.00 0.00 C ATOM 771 C LYS A 50 1.932 -2.712 -11.780 1.00 0.00 C ATOM 772 O LYS A 50 1.228 -1.979 -12.447 1.00 0.00 O ATOM 773 CB LYS A 50 1.144 -4.746 -13.009 1.00 0.00 C ATOM 774 CG LYS A 50 -0.140 -4.676 -12.171 1.00 0.00 C ATOM 775 CD LYS A 50 -1.360 -4.893 -13.080 1.00 0.00 C ATOM 776 CE LYS A 50 -1.891 -3.543 -13.572 1.00 0.00 C ATOM 777 NZ LYS A 50 -0.749 -2.630 -13.864 1.00 0.00 N ATOM 0 H LYS A 50 3.542 -5.515 -11.265 1.00 0.00 H new ATOM 0 HA LYS A 50 3.157 -4.014 -12.950 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.990 -4.241 -13.963 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.381 -5.786 -13.234 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.117 -5.434 -11.388 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.211 -3.708 -11.675 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.084 -5.517 -13.930 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.141 -5.424 -12.535 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.495 -3.684 -14.468 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.540 -3.099 -12.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.111 -1.733 -14.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.219 -2.445 -12.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.119 -3.074 -14.562 1.00 0.00 H new ATOM 791 N GLY A 51 2.399 -2.345 -10.629 1.00 0.00 N ATOM 792 CA GLY A 51 2.073 -0.999 -10.103 1.00 0.00 C ATOM 793 C GLY A 51 0.837 -1.071 -9.213 1.00 0.00 C ATOM 794 O GLY A 51 0.075 -0.131 -9.113 1.00 0.00 O ATOM 0 H GLY A 51 2.992 -2.917 -10.029 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.917 -0.607 -9.536 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.897 -0.310 -10.929 1.00 0.00 H new ATOM 798 N LEU A 52 0.638 -2.178 -8.561 1.00 0.00 N ATOM 799 CA LEU A 52 -0.537 -2.319 -7.657 1.00 0.00 C ATOM 800 C LEU A 52 -0.116 -3.107 -6.423 1.00 0.00 C ATOM 801 O LEU A 52 0.641 -4.053 -6.506 1.00 0.00 O ATOM 802 CB LEU A 52 -1.674 -3.051 -8.372 1.00 0.00 C ATOM 803 CG LEU A 52 -2.473 -2.072 -9.230 1.00 0.00 C ATOM 804 CD1 LEU A 52 -3.568 -2.843 -9.966 1.00 0.00 C ATOM 805 CD2 LEU A 52 -3.106 -0.995 -8.333 1.00 0.00 C ATOM 0 H LEU A 52 1.242 -2.998 -8.614 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.891 -1.330 -7.367 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.268 -3.846 -8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.329 -3.523 -7.640 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.815 -1.588 -9.951 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.146 -2.155 -10.583 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.114 -3.604 -10.600 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.227 -3.321 -9.241 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.675 -0.298 -8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.771 -1.468 -7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.321 -0.455 -7.804 1.00 0.00 H new ATOM 817 N ALA A 53 -0.584 -2.709 -5.279 1.00 0.00 N ATOM 818 CA ALA A 53 -0.187 -3.420 -4.035 1.00 0.00 C ATOM 819 C ALA A 53 -0.882 -4.770 -3.937 1.00 0.00 C ATOM 820 O ALA A 53 -1.973 -4.967 -4.433 1.00 0.00 O ATOM 821 CB ALA A 53 -0.577 -2.587 -2.817 1.00 0.00 C ATOM 0 H ALA A 53 -1.223 -1.924 -5.149 1.00 0.00 H new ATOM 0 HA ALA A 53 0.892 -3.571 -4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.284 -3.112 -1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.070 -1.623 -2.858 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.656 -2.430 -2.814 1.00 0.00 H new ATOM 827 N TYR A 54 -0.254 -5.696 -3.272 1.00 0.00 N ATOM 828 CA TYR A 54 -0.855 -7.034 -3.096 1.00 0.00 C ATOM 829 C TYR A 54 -0.279 -7.653 -1.839 1.00 0.00 C ATOM 830 O TYR A 54 0.894 -7.536 -1.577 1.00 0.00 O ATOM 831 CB TYR A 54 -0.514 -7.915 -4.287 1.00 0.00 C ATOM 832 CG TYR A 54 -1.396 -7.540 -5.435 1.00 0.00 C ATOM 833 CD1 TYR A 54 -2.708 -8.015 -5.496 1.00 0.00 C ATOM 834 CD2 TYR A 54 -0.902 -6.707 -6.435 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.529 -7.648 -6.572 1.00 0.00 C ATOM 836 CE2 TYR A 54 -1.714 -6.344 -7.499 1.00 0.00 C ATOM 837 CZ TYR A 54 -3.029 -6.810 -7.574 1.00 0.00 C ATOM 838 OH TYR A 54 -3.834 -6.446 -8.634 1.00 0.00 O ATOM 0 H TYR A 54 0.662 -5.576 -2.839 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.939 -6.946 -3.018 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.534 -7.790 -4.560 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.654 -8.965 -4.031 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.088 -8.661 -4.719 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.114 -6.343 -6.382 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.545 -8.011 -6.627 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.328 -5.698 -8.274 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.802 -5.473 -8.750 1.00 0.00 H new ATOM 848 N CYS A 55 -1.073 -8.308 -1.050 1.00 0.00 N ATOM 849 CA CYS A 55 -0.508 -8.914 0.177 1.00 0.00 C ATOM 850 C CYS A 55 0.636 -9.853 -0.215 1.00 0.00 C ATOM 851 O CYS A 55 0.931 -10.040 -1.379 1.00 0.00 O ATOM 852 CB CYS A 55 -1.573 -9.735 0.905 1.00 0.00 C ATOM 853 SG CYS A 55 -2.775 -8.635 1.677 1.00 0.00 S ATOM 0 H CYS A 55 -2.072 -8.449 -1.197 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.152 -8.118 0.831 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.075 -10.400 0.202 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.105 -10.365 1.662 1.00 0.00 H new ATOM 858 N GLU A 56 1.267 -10.456 0.749 1.00 0.00 N ATOM 859 CA GLU A 56 2.381 -11.404 0.448 1.00 0.00 C ATOM 860 C GLU A 56 1.835 -12.600 -0.337 1.00 0.00 C ATOM 861 O GLU A 56 2.474 -13.119 -1.231 1.00 0.00 O ATOM 862 CB GLU A 56 2.975 -11.928 1.760 1.00 0.00 C ATOM 863 CG GLU A 56 4.299 -12.646 1.480 1.00 0.00 C ATOM 864 CD GLU A 56 4.016 -14.026 0.883 1.00 0.00 C ATOM 865 OE1 GLU A 56 3.108 -14.684 1.365 1.00 0.00 O ATOM 866 OE2 GLU A 56 4.712 -14.402 -0.047 1.00 0.00 O ATOM 0 H GLU A 56 1.061 -10.335 1.741 1.00 0.00 H new ATOM 0 HA GLU A 56 3.143 -10.884 -0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.138 -11.102 2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.274 -12.612 2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.905 -12.058 0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.872 -12.747 2.402 1.00 0.00 H new ATOM 873 N THR A 57 0.668 -13.056 0.022 1.00 0.00 N ATOM 874 CA THR A 57 0.071 -14.242 -0.657 1.00 0.00 C ATOM 875 C THR A 57 -0.701 -13.835 -1.909 1.00 0.00 C ATOM 876 O THR A 57 -0.656 -14.514 -2.913 1.00 0.00 O ATOM 877 CB THR A 57 -0.876 -14.950 0.317 1.00 0.00 C ATOM 878 OG1 THR A 57 -0.121 -15.529 1.371 1.00 0.00 O ATOM 879 CG2 THR A 57 -1.649 -16.045 -0.420 1.00 0.00 C ATOM 0 H THR A 57 0.096 -12.654 0.764 1.00 0.00 H new ATOM 0 HA THR A 57 0.877 -14.910 -0.959 1.00 0.00 H new ATOM 0 HB THR A 57 -1.581 -14.227 0.727 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.815 -15.251 1.294 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.322 -16.547 0.276 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.229 -15.600 -1.228 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.948 -16.770 -0.833 1.00 0.00 H new ATOM 887 N HIS A 58 -1.409 -12.748 -1.873 1.00 0.00 N ATOM 888 CA HIS A 58 -2.166 -12.351 -3.076 1.00 0.00 C ATOM 889 C HIS A 58 -1.169 -11.963 -4.149 1.00 0.00 C ATOM 890 O HIS A 58 -1.243 -12.411 -5.273 1.00 0.00 O ATOM 891 CB HIS A 58 -3.093 -11.188 -2.741 1.00 0.00 C ATOM 892 CG HIS A 58 -4.135 -11.669 -1.758 1.00 0.00 C ATOM 893 ND1 HIS A 58 -4.594 -10.904 -0.684 1.00 0.00 N ATOM 894 CD2 HIS A 58 -4.819 -12.860 -1.676 1.00 0.00 C ATOM 895 CE1 HIS A 58 -5.503 -11.643 -0.021 1.00 0.00 C ATOM 896 NE2 HIS A 58 -5.677 -12.839 -0.582 1.00 0.00 N ATOM 0 H HIS A 58 -1.494 -12.125 -1.070 1.00 0.00 H new ATOM 0 HA HIS A 58 -2.784 -13.174 -3.435 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.524 -10.362 -2.315 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.571 -10.813 -3.646 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -4.706 -13.688 -2.360 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.029 -11.307 0.860 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -6.306 -13.581 -0.274 1.00 0.00 H new ATOM 904 N TYR A 59 -0.205 -11.168 -3.804 1.00 0.00 N ATOM 905 CA TYR A 59 0.813 -10.790 -4.793 1.00 0.00 C ATOM 906 C TYR A 59 1.331 -12.052 -5.431 1.00 0.00 C ATOM 907 O TYR A 59 1.309 -12.232 -6.632 1.00 0.00 O ATOM 908 CB TYR A 59 1.971 -10.121 -4.069 1.00 0.00 C ATOM 909 CG TYR A 59 3.136 -9.960 -5.011 1.00 0.00 C ATOM 910 CD1 TYR A 59 2.910 -9.608 -6.342 1.00 0.00 C ATOM 911 CD2 TYR A 59 4.443 -10.165 -4.554 1.00 0.00 C ATOM 912 CE1 TYR A 59 3.982 -9.457 -7.214 1.00 0.00 C ATOM 913 CE2 TYR A 59 5.521 -10.012 -5.431 1.00 0.00 C ATOM 914 CZ TYR A 59 5.291 -9.656 -6.763 1.00 0.00 C ATOM 915 OH TYR A 59 6.352 -9.505 -7.632 1.00 0.00 O ATOM 0 H TYR A 59 -0.083 -10.765 -2.875 1.00 0.00 H new ATOM 0 HA TYR A 59 0.390 -10.117 -5.538 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.661 -9.147 -3.689 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.268 -10.719 -3.208 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.901 -9.453 -6.695 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.619 -10.441 -3.525 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.803 -9.185 -8.244 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.530 -10.169 -5.080 1.00 0.00 H new ATOM 0 HH TYR A 59 7.191 -9.679 -7.157 1.00 0.00 H new ATOM 925 N ASN A 60 1.813 -12.922 -4.609 1.00 0.00 N ATOM 926 CA ASN A 60 2.362 -14.185 -5.121 1.00 0.00 C ATOM 927 C ASN A 60 1.253 -14.995 -5.780 1.00 0.00 C ATOM 928 O ASN A 60 1.425 -15.526 -6.858 1.00 0.00 O ATOM 929 CB ASN A 60 2.986 -14.985 -3.979 1.00 0.00 C ATOM 930 CG ASN A 60 4.360 -14.406 -3.635 1.00 0.00 C ATOM 931 OD1 ASN A 60 5.302 -14.554 -4.389 1.00 0.00 O ATOM 932 ND2 ASN A 60 4.516 -13.747 -2.518 1.00 0.00 N ATOM 0 H ASN A 60 1.850 -12.810 -3.596 1.00 0.00 H new ATOM 0 HA ASN A 60 3.134 -13.967 -5.859 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.338 -14.954 -3.103 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.083 -16.032 -4.266 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.428 -13.357 -2.279 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.726 -13.622 -1.885 1.00 0.00 H new ATOM 939 N GLN A 61 0.107 -15.082 -5.164 1.00 0.00 N ATOM 940 CA GLN A 61 -0.991 -15.852 -5.817 1.00 0.00 C ATOM 941 C GLN A 61 -1.217 -15.225 -7.181 1.00 0.00 C ATOM 942 O GLN A 61 -1.484 -15.888 -8.162 1.00 0.00 O ATOM 943 CB GLN A 61 -2.276 -15.761 -4.994 1.00 0.00 C ATOM 944 CG GLN A 61 -2.211 -16.745 -3.826 1.00 0.00 C ATOM 945 CD GLN A 61 -2.433 -18.168 -4.342 1.00 0.00 C ATOM 946 OE1 GLN A 61 -1.492 -18.860 -4.675 1.00 0.00 O ATOM 947 NE2 GLN A 61 -3.649 -18.637 -4.424 1.00 0.00 N ATOM 0 H GLN A 61 -0.115 -14.666 -4.260 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.721 -16.905 -5.900 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.408 -14.746 -4.620 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.138 -15.984 -5.622 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.243 -16.674 -3.331 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.968 -16.494 -3.083 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.440 -18.056 -4.144 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.808 -19.584 -4.768 1.00 0.00 H new ATOM 956 N LEU A 62 -1.086 -13.934 -7.232 1.00 0.00 N ATOM 957 CA LEU A 62 -1.259 -13.205 -8.512 1.00 0.00 C ATOM 958 C LEU A 62 -0.048 -13.460 -9.413 1.00 0.00 C ATOM 959 O LEU A 62 -0.170 -13.579 -10.615 1.00 0.00 O ATOM 960 CB LEU A 62 -1.367 -11.703 -8.218 1.00 0.00 C ATOM 961 CG LEU A 62 -2.838 -11.289 -8.041 1.00 0.00 C ATOM 962 CD1 LEU A 62 -3.246 -11.375 -6.571 1.00 0.00 C ATOM 963 CD2 LEU A 62 -3.012 -9.851 -8.517 1.00 0.00 C ATOM 0 H LEU A 62 -0.863 -13.345 -6.430 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.162 -13.551 -9.015 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.805 -11.463 -7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.919 -11.134 -9.033 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.465 -11.963 -8.624 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.290 -11.078 -6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.122 -12.399 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.618 -10.709 -5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.053 -9.551 -8.395 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.373 -9.193 -7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.735 -9.780 -9.569 1.00 0.00 H new ATOM 975 N PHE A 63 1.119 -13.533 -8.838 1.00 0.00 N ATOM 976 CA PHE A 63 2.344 -13.765 -9.659 1.00 0.00 C ATOM 977 C PHE A 63 3.419 -14.441 -8.810 1.00 0.00 C ATOM 978 O PHE A 63 3.611 -15.639 -8.856 1.00 0.00 O ATOM 979 CB PHE A 63 2.881 -12.415 -10.155 1.00 0.00 C ATOM 980 CG PHE A 63 2.260 -12.074 -11.486 1.00 0.00 C ATOM 981 CD1 PHE A 63 1.013 -11.446 -11.527 1.00 0.00 C ATOM 982 CD2 PHE A 63 2.928 -12.385 -12.676 1.00 0.00 C ATOM 983 CE1 PHE A 63 0.429 -11.125 -12.758 1.00 0.00 C ATOM 984 CE2 PHE A 63 2.346 -12.067 -13.909 1.00 0.00 C ATOM 985 CZ PHE A 63 1.096 -11.436 -13.950 1.00 0.00 C ATOM 0 H PHE A 63 1.280 -13.442 -7.835 1.00 0.00 H new ATOM 0 HA PHE A 63 2.092 -14.405 -10.505 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.656 -11.635 -9.428 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.966 -12.458 -10.250 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.499 -11.208 -10.608 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.892 -12.870 -12.643 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.535 -10.638 -12.789 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.860 -12.308 -14.828 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.647 -11.189 -14.901 1.00 0.00 H new ATOM 995 N GLY A 64 4.126 -13.664 -8.046 1.00 0.00 N ATOM 996 CA GLY A 64 5.210 -14.226 -7.190 1.00 0.00 C ATOM 997 C GLY A 64 6.376 -14.678 -8.069 1.00 0.00 C ATOM 998 O GLY A 64 7.451 -14.966 -7.585 1.00 0.00 O ATOM 0 H GLY A 64 4.001 -12.654 -7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.549 -13.475 -6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.830 -15.068 -6.611 1.00 0.00 H new ATOM 1002 N ASP A 65 6.164 -14.734 -9.356 1.00 0.00 N ATOM 1003 CA ASP A 65 7.247 -15.163 -10.292 1.00 0.00 C ATOM 1004 C ASP A 65 6.611 -15.639 -11.599 1.00 0.00 C ATOM 1005 O ASP A 65 7.259 -15.728 -12.623 1.00 0.00 O ATOM 1006 CB ASP A 65 8.064 -16.306 -9.666 1.00 0.00 C ATOM 1007 CG ASP A 65 8.675 -17.179 -10.768 1.00 0.00 C ATOM 1008 OD1 ASP A 65 9.669 -16.765 -11.341 1.00 0.00 O ATOM 1009 OD2 ASP A 65 8.139 -18.245 -11.017 1.00 0.00 O ATOM 0 H ASP A 65 5.279 -14.499 -9.805 1.00 0.00 H new ATOM 0 HA ASP A 65 7.914 -14.323 -10.488 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.853 -15.897 -9.035 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.425 -16.912 -9.024 1.00 0.00 H new ATOM 1014 N VAL A 66 5.346 -15.948 -11.567 1.00 0.00 N ATOM 1015 CA VAL A 66 4.660 -16.422 -12.800 1.00 0.00 C ATOM 1016 C VAL A 66 4.308 -15.222 -13.683 1.00 0.00 C ATOM 1017 O VAL A 66 5.200 -14.717 -14.344 1.00 0.00 O ATOM 1018 CB VAL A 66 3.380 -17.164 -12.412 1.00 0.00 C ATOM 1019 CG1 VAL A 66 2.705 -17.713 -13.669 1.00 0.00 C ATOM 1020 CG2 VAL A 66 3.730 -18.323 -11.475 1.00 0.00 C ATOM 1021 OXT VAL A 66 3.153 -14.829 -13.681 1.00 0.00 O ATOM 0 H VAL A 66 4.755 -15.893 -10.737 1.00 0.00 H new ATOM 0 HA VAL A 66 5.319 -17.094 -13.350 1.00 0.00 H new ATOM 0 HB VAL A 66 2.701 -16.477 -11.907 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.793 -18.241 -13.391 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.457 -16.889 -14.338 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.383 -18.400 -14.175 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.819 -18.854 -11.197 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.409 -19.009 -11.982 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.211 -17.933 -10.578 1.00 0.00 H new TER 1031 VAL A 66 HETATM 1032 ZN ZN A 67 -5.885 7.934 2.897 1.00 0.00 ZN HETATM 1033 ZN ZN A 68 -4.049 -9.042 -0.197 1.00 0.00 ZN