USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 393 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 40 HIS HE2 : A 40 HIS NE2 : A 53 ZNZN :(H bumps) USER MOD NoAdj-H: A 42 HIS HD1 : A 42 HIS ND1 : A 53 ZNZN :(H bumps) USER MOD Set 1.1: A 23 THR OG1 : rot 4:sc= 1.76 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -166:sc= 1.26 (180deg=0.808) USER MOD Single : A 1 GLY N :NH3+ 141:sc= 2.06 (180deg=0.667!) USER MOD Single : A 2 GLN : amide:sc= -0.393 K(o=-0.39,f=-2.7!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 58:sc= 1.01 USER MOD Single : A 10 ASN : amide:sc= 1.17 K(o=1.2,f=-1.1) USER MOD Single : A 13 LYS NZ :NH3+ 173:sc= 0.39 (180deg=0.225) USER MOD Single : A 14 HIS : no HD1:sc= -0.177 K(o=-0.18,f=-1.7) USER MOD Single : A 15 HIS : no HD1:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 18 THR OG1 : rot 86:sc= 1.92 USER MOD Single : A 21 HIS : no HD1:sc= -0.931! C(o=-0.93!,f=-6.6!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.881 K(o=0.88,f=0) USER MOD Single : A 37 THR OG1 : rot -75:sc= 0.556 USER MOD Single : A 38 LYS NZ :NH3+ 164:sc= 2.2 (180deg=1.45) USER MOD Single : A 39 SER OG : rot 70:sc= 0.19 USER MOD Single : A 41 THR OG1 : rot -41:sc= 0.279 USER MOD Single : A 44 MET CE :methyl -146:sc= -0.27 (180deg=-1.21) USER MOD Single : A 46 LYS NZ :NH3+ 176:sc= 0.464 (180deg=-0.0235) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.552 -3.051 -9.497 1.00 10.00 N ATOM 2 CA GLY A 1 3.870 -3.252 -8.192 1.00 10.00 C ATOM 3 C GLY A 1 2.416 -2.796 -8.232 1.00 10.00 C ATOM 4 O GLY A 1 2.144 -1.720 -8.745 1.00 10.00 O ATOM 0 H1 GLY A 1 5.526 -2.726 -9.333 1.00 10.00 H new ATOM 0 H2 GLY A 1 4.570 -3.949 -10.021 1.00 10.00 H new ATOM 0 H3 GLY A 1 4.038 -2.337 -10.051 1.00 10.00 H new ATOM 0 HA2 GLY A 1 3.912 -4.307 -7.920 1.00 10.00 H new ATOM 0 HA3 GLY A 1 4.402 -2.701 -7.416 1.00 10.00 H new ATOM 10 N GLN A 2 1.473 -3.589 -7.695 1.00 10.00 N ATOM 11 CA GLN A 2 0.038 -3.303 -7.746 1.00 10.00 C ATOM 12 C GLN A 2 -0.670 -3.601 -6.423 1.00 10.00 C ATOM 13 O GLN A 2 -0.147 -4.324 -5.569 1.00 10.00 O ATOM 14 CB GLN A 2 -0.650 -4.113 -8.871 1.00 10.00 C ATOM 15 CG GLN A 2 0.151 -4.177 -10.185 1.00 10.00 C ATOM 16 CD GLN A 2 -0.697 -4.406 -11.433 1.00 10.00 C ATOM 17 OE1 GLN A 2 -1.871 -4.062 -11.494 1.00 10.00 O ATOM 18 NE2 GLN A 2 -0.107 -4.906 -12.510 1.00 10.00 N ATOM 0 H GLN A 2 1.694 -4.457 -7.208 1.00 10.00 H new ATOM 0 HA GLN A 2 -0.047 -2.235 -7.948 1.00 10.00 H new ATOM 0 HB2 GLN A 2 -0.826 -5.129 -8.516 1.00 10.00 H new ATOM 0 HB3 GLN A 2 -1.626 -3.673 -9.075 1.00 10.00 H new ATOM 0 HG2 GLN A 2 0.705 -3.246 -10.304 1.00 10.00 H new ATOM 0 HG3 GLN A 2 0.886 -4.978 -10.109 1.00 10.00 H new ATOM 0 HE21 GLN A 2 0.870 -5.195 -12.468 1.00 10.00 H new ATOM 0 HE22 GLN A 2 -0.630 -5.002 -13.380 1.00 10.00 H new ATOM 27 N ASP A 3 -1.874 -3.061 -6.314 1.00 10.00 N ATOM 28 CA ASP A 3 -2.869 -3.202 -5.248 1.00 10.00 C ATOM 29 C ASP A 3 -4.216 -3.367 -5.985 1.00 10.00 C ATOM 30 O ASP A 3 -4.279 -4.161 -6.923 1.00 10.00 O ATOM 31 CB ASP A 3 -2.824 -2.025 -4.253 1.00 10.00 C ATOM 32 CG ASP A 3 -3.819 -2.212 -3.114 1.00 10.00 C ATOM 33 OD1 ASP A 3 -3.625 -3.138 -2.304 1.00 10.00 O ATOM 34 OD2 ASP A 3 -4.861 -1.518 -3.154 1.00 10.00 O ATOM 0 H ASP A 3 -2.221 -2.444 -7.049 1.00 10.00 H new ATOM 0 HA ASP A 3 -2.681 -4.064 -4.607 1.00 10.00 H new ATOM 0 HB2 ASP A 3 -1.817 -1.931 -3.845 1.00 10.00 H new ATOM 0 HB3 ASP A 3 -3.043 -1.095 -4.779 1.00 10.00 H new ATOM 39 N ARG A 4 -5.286 -2.671 -5.596 1.00 10.00 N ATOM 40 CA ARG A 4 -6.611 -2.755 -6.208 1.00 10.00 C ATOM 41 C ARG A 4 -6.958 -1.396 -6.811 1.00 10.00 C ATOM 42 O ARG A 4 -7.598 -1.326 -7.851 1.00 10.00 O ATOM 43 CB ARG A 4 -7.643 -3.192 -5.153 1.00 10.00 C ATOM 44 CG ARG A 4 -7.375 -4.562 -4.498 1.00 10.00 C ATOM 45 CD ARG A 4 -6.331 -4.577 -3.379 1.00 10.00 C ATOM 46 NE ARG A 4 -6.263 -5.900 -2.763 1.00 10.00 N ATOM 47 CZ ARG A 4 -5.437 -6.251 -1.763 1.00 10.00 C ATOM 48 NH1 ARG A 4 -4.555 -5.412 -1.254 1.00 10.00 N ATOM 49 NH2 ARG A 4 -5.523 -7.481 -1.271 1.00 10.00 N ATOM 0 H ARG A 4 -5.251 -2.011 -4.819 1.00 10.00 H new ATOM 0 HA ARG A 4 -6.621 -3.500 -7.004 1.00 10.00 H new ATOM 0 HB2 ARG A 4 -7.681 -2.435 -4.370 1.00 10.00 H new ATOM 0 HB3 ARG A 4 -8.627 -3.217 -5.620 1.00 10.00 H new ATOM 0 HG2 ARG A 4 -8.315 -4.941 -4.096 1.00 10.00 H new ATOM 0 HG3 ARG A 4 -7.057 -5.258 -5.274 1.00 10.00 H new ATOM 0 HD2 ARG A 4 -5.355 -4.305 -3.780 1.00 10.00 H new ATOM 0 HD3 ARG A 4 -6.585 -3.831 -2.626 1.00 10.00 H new ATOM 0 HE ARG A 4 -6.895 -6.616 -3.122 1.00 10.00 H new ATOM 0 HH11 ARG A 4 -4.484 -4.462 -1.620 1.00 10.00 H new ATOM 0 HH12 ARG A 4 -3.944 -5.713 -0.495 1.00 10.00 H new ATOM 0 HH21 ARG A 4 -6.205 -8.136 -1.652 1.00 10.00 H new ATOM 0 HH22 ARG A 4 -4.907 -7.771 -0.512 1.00 10.00 H new ATOM 63 N PHE A 5 -6.484 -0.321 -6.179 1.00 10.00 N ATOM 64 CA PHE A 5 -6.619 1.053 -6.657 1.00 10.00 C ATOM 65 C PHE A 5 -5.310 1.812 -6.455 1.00 10.00 C ATOM 66 O PHE A 5 -5.252 3.008 -6.749 1.00 10.00 O ATOM 67 CB PHE A 5 -7.789 1.773 -5.980 1.00 10.00 C ATOM 68 CG PHE A 5 -7.638 1.975 -4.483 1.00 10.00 C ATOM 69 CD1 PHE A 5 -7.929 0.936 -3.584 1.00 10.00 C ATOM 70 CD2 PHE A 5 -7.153 3.197 -3.993 1.00 10.00 C ATOM 71 CE1 PHE A 5 -7.748 1.127 -2.208 1.00 10.00 C ATOM 72 CE2 PHE A 5 -6.952 3.387 -2.612 1.00 10.00 C ATOM 73 CZ PHE A 5 -7.252 2.352 -1.720 1.00 10.00 C ATOM 0 H PHE A 5 -5.981 -0.386 -5.294 1.00 10.00 H new ATOM 0 HA PHE A 5 -6.839 1.021 -7.724 1.00 10.00 H new ATOM 0 HB2 PHE A 5 -7.919 2.747 -6.452 1.00 10.00 H new ATOM 0 HB3 PHE A 5 -8.701 1.206 -6.165 1.00 10.00 H new ATOM 0 HD1 PHE A 5 -8.293 -0.011 -3.954 1.00 10.00 H new ATOM 0 HD2 PHE A 5 -6.932 3.999 -4.681 1.00 10.00 H new ATOM 0 HE1 PHE A 5 -7.990 0.332 -1.518 1.00 10.00 H new ATOM 0 HE2 PHE A 5 -6.568 4.327 -2.244 1.00 10.00 H new ATOM 0 HZ PHE A 5 -7.104 2.492 -0.659 1.00 10.00 H new ATOM 83 N VAL A 6 -4.271 1.153 -5.957 1.00 10.00 N ATOM 84 CA VAL A 6 -2.975 1.724 -5.673 1.00 10.00 C ATOM 85 C VAL A 6 -1.959 0.835 -6.370 1.00 10.00 C ATOM 86 O VAL A 6 -2.226 -0.312 -6.739 1.00 10.00 O ATOM 87 CB VAL A 6 -2.842 1.805 -4.132 1.00 10.00 C ATOM 88 CG1 VAL A 6 -1.425 1.696 -3.586 1.00 10.00 C ATOM 89 CG2 VAL A 6 -3.446 3.127 -3.638 1.00 10.00 C ATOM 0 H VAL A 6 -4.319 0.159 -5.732 1.00 10.00 H new ATOM 0 HA VAL A 6 -2.819 2.737 -6.044 1.00 10.00 H new ATOM 0 HB VAL A 6 -3.377 0.931 -3.759 1.00 10.00 H new ATOM 0 HG11 VAL A 6 -1.448 1.765 -2.498 1.00 10.00 H new ATOM 0 HG12 VAL A 6 -0.994 0.739 -3.880 1.00 10.00 H new ATOM 0 HG13 VAL A 6 -0.817 2.506 -3.988 1.00 10.00 H new ATOM 0 HG21 VAL A 6 -3.354 3.186 -2.554 1.00 10.00 H new ATOM 0 HG22 VAL A 6 -2.915 3.963 -4.094 1.00 10.00 H new ATOM 0 HG23 VAL A 6 -4.499 3.172 -3.915 1.00 10.00 H new ATOM 99 N TYR A 7 -0.783 1.382 -6.621 1.00 10.00 N ATOM 100 CA TYR A 7 0.298 0.753 -7.345 1.00 10.00 C ATOM 101 C TYR A 7 1.586 1.463 -6.944 1.00 10.00 C ATOM 102 O TYR A 7 1.537 2.330 -6.076 1.00 10.00 O ATOM 103 CB TYR A 7 0.058 0.980 -8.836 1.00 10.00 C ATOM 104 CG TYR A 7 -1.326 0.643 -9.351 1.00 10.00 C ATOM 105 CD1 TYR A 7 -2.368 1.594 -9.274 1.00 10.00 C ATOM 106 CD2 TYR A 7 -1.593 -0.648 -9.845 1.00 10.00 C ATOM 107 CE1 TYR A 7 -3.680 1.210 -9.591 1.00 10.00 C ATOM 108 CE2 TYR A 7 -2.893 -1.003 -10.246 1.00 10.00 C ATOM 109 CZ TYR A 7 -3.947 -0.085 -10.104 1.00 10.00 C ATOM 110 OH TYR A 7 -5.204 -0.453 -10.450 1.00 10.00 O ATOM 0 H TYR A 7 -0.548 2.324 -6.308 1.00 10.00 H new ATOM 0 HA TYR A 7 0.359 -0.314 -7.129 1.00 10.00 H new ATOM 0 HB2 TYR A 7 0.261 2.027 -9.060 1.00 10.00 H new ATOM 0 HB3 TYR A 7 0.784 0.388 -9.394 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.156 2.609 -8.973 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -0.794 -1.371 -9.916 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -4.493 1.906 -9.443 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -3.081 -1.981 -10.663 1.00 10.00 H new ATOM 0 HH TYR A 7 -5.195 -1.375 -10.783 1.00 10.00 H new ATOM 120 N THR A 8 2.706 1.201 -7.587 1.00 10.00 N ATOM 121 CA THR A 8 3.937 1.936 -7.346 1.00 10.00 C ATOM 122 C THR A 8 4.398 2.594 -8.637 1.00 10.00 C ATOM 123 O THR A 8 3.885 2.237 -9.699 1.00 10.00 O ATOM 124 CB THR A 8 5.015 0.959 -6.860 1.00 10.00 C ATOM 125 OG1 THR A 8 4.867 -0.330 -7.451 1.00 10.00 O ATOM 126 CG2 THR A 8 5.024 0.770 -5.343 1.00 10.00 C ATOM 0 H THR A 8 2.791 0.471 -8.294 1.00 10.00 H new ATOM 0 HA THR A 8 3.765 2.703 -6.591 1.00 10.00 H new ATOM 0 HB THR A 8 5.955 1.418 -7.166 1.00 10.00 H new ATOM 0 HG1 THR A 8 4.904 -0.249 -8.427 1.00 10.00 H new ATOM 0 HG21 THR A 8 5.810 0.067 -5.069 1.00 10.00 H new ATOM 0 HG22 THR A 8 5.209 1.729 -4.858 1.00 10.00 H new ATOM 0 HG23 THR A 8 4.059 0.380 -5.019 1.00 10.00 H new ATOM 134 N CYS A 9 5.357 3.511 -8.532 1.00 10.00 N ATOM 135 CA CYS A 9 6.099 4.039 -9.654 1.00 10.00 C ATOM 136 C CYS A 9 7.387 3.289 -9.395 1.00 10.00 C ATOM 137 O CYS A 9 8.077 3.604 -8.420 1.00 10.00 O ATOM 138 CB CYS A 9 6.403 5.530 -9.605 1.00 10.00 C ATOM 139 SG CYS A 9 7.611 5.892 -10.907 1.00 10.00 S ATOM 0 H CYS A 9 5.640 3.912 -7.638 1.00 10.00 H new ATOM 0 HA CYS A 9 5.578 3.924 -10.604 1.00 10.00 H new ATOM 0 HB2 CYS A 9 5.493 6.111 -9.756 1.00 10.00 H new ATOM 0 HB3 CYS A 9 6.799 5.807 -8.628 1.00 10.00 H new ATOM 144 N ASN A 10 7.750 2.307 -10.209 1.00 10.00 N ATOM 145 CA ASN A 10 8.973 1.554 -10.055 1.00 10.00 C ATOM 146 C ASN A 10 10.208 2.432 -10.260 1.00 10.00 C ATOM 147 O ASN A 10 11.327 1.959 -10.083 1.00 10.00 O ATOM 148 CB ASN A 10 8.991 0.299 -10.925 1.00 10.00 C ATOM 149 CG ASN A 10 10.008 -0.695 -10.380 1.00 10.00 C ATOM 150 OD1 ASN A 10 10.112 -0.942 -9.186 1.00 10.00 O ATOM 151 ND2 ASN A 10 10.827 -1.282 -11.244 1.00 10.00 N ATOM 0 H ASN A 10 7.188 2.011 -11.007 1.00 10.00 H new ATOM 0 HA ASN A 10 9.008 1.205 -9.023 1.00 10.00 H new ATOM 0 HB2 ASN A 10 8.000 -0.155 -10.944 1.00 10.00 H new ATOM 0 HB3 ASN A 10 9.241 0.562 -11.953 1.00 10.00 H new ATOM 0 HD21 ASN A 10 11.537 -1.934 -10.911 1.00 10.00 H new ATOM 0 HD22 ASN A 10 10.746 -1.081 -12.241 1.00 10.00 H new ATOM 158 N GLU A 11 10.035 3.721 -10.576 1.00 10.00 N ATOM 159 CA GLU A 11 11.122 4.670 -10.625 1.00 10.00 C ATOM 160 C GLU A 11 11.212 5.516 -9.365 1.00 10.00 C ATOM 161 O GLU A 11 12.327 5.861 -8.981 1.00 10.00 O ATOM 162 CB GLU A 11 11.139 5.522 -11.883 1.00 10.00 C ATOM 163 CG GLU A 11 12.229 4.994 -12.828 1.00 10.00 C ATOM 164 CD GLU A 11 13.619 5.245 -12.234 1.00 10.00 C ATOM 165 OE1 GLU A 11 14.096 4.425 -11.410 1.00 10.00 O ATOM 166 OE2 GLU A 11 14.140 6.336 -12.563 1.00 10.00 O ATOM 0 H GLU A 11 9.126 4.124 -10.804 1.00 10.00 H new ATOM 0 HA GLU A 11 12.025 4.061 -10.671 1.00 10.00 H new ATOM 0 HB2 GLU A 11 10.166 5.489 -12.374 1.00 10.00 H new ATOM 0 HB3 GLU A 11 11.333 6.564 -11.630 1.00 10.00 H new ATOM 0 HG2 GLU A 11 12.086 3.927 -12.998 1.00 10.00 H new ATOM 0 HG3 GLU A 11 12.147 5.485 -13.798 1.00 10.00 H new ATOM 173 N CYS A 12 10.106 5.739 -8.655 1.00 10.00 N ATOM 174 CA CYS A 12 10.118 6.413 -7.361 1.00 10.00 C ATOM 175 C CYS A 12 10.230 5.377 -6.234 1.00 10.00 C ATOM 176 O CYS A 12 10.610 5.697 -5.107 1.00 10.00 O ATOM 177 CB CYS A 12 8.822 7.217 -7.175 1.00 10.00 C ATOM 178 SG CYS A 12 8.533 8.403 -8.525 1.00 10.00 S ATOM 0 H CYS A 12 9.176 5.456 -8.963 1.00 10.00 H new ATOM 0 HA CYS A 12 10.974 7.087 -7.326 1.00 10.00 H new ATOM 0 HB2 CYS A 12 7.978 6.530 -7.114 1.00 10.00 H new ATOM 0 HB3 CYS A 12 8.865 7.754 -6.228 1.00 10.00 H new ATOM 183 N LYS A 13 9.858 4.126 -6.541 1.00 10.00 N ATOM 184 CA LYS A 13 9.682 2.994 -5.611 1.00 10.00 C ATOM 185 C LYS A 13 8.866 3.467 -4.413 1.00 10.00 C ATOM 186 O LYS A 13 9.188 3.223 -3.258 1.00 10.00 O ATOM 187 CB LYS A 13 11.006 2.282 -5.262 1.00 10.00 C ATOM 188 CG LYS A 13 11.434 1.336 -6.403 1.00 10.00 C ATOM 189 CD LYS A 13 12.645 1.724 -7.271 1.00 10.00 C ATOM 190 CE LYS A 13 12.678 3.182 -7.709 1.00 10.00 C ATOM 191 NZ LYS A 13 13.626 3.434 -8.815 1.00 10.00 N ATOM 0 H LYS A 13 9.659 3.858 -7.505 1.00 10.00 H new ATOM 0 HA LYS A 13 9.114 2.203 -6.101 1.00 10.00 H new ATOM 0 HB2 LYS A 13 11.787 3.022 -5.084 1.00 10.00 H new ATOM 0 HB3 LYS A 13 10.887 1.715 -4.338 1.00 10.00 H new ATOM 0 HG2 LYS A 13 11.642 0.361 -5.963 1.00 10.00 H new ATOM 0 HG3 LYS A 13 10.578 1.211 -7.067 1.00 10.00 H new ATOM 0 HD2 LYS A 13 13.557 1.506 -6.715 1.00 10.00 H new ATOM 0 HD3 LYS A 13 12.654 1.092 -8.159 1.00 10.00 H new ATOM 0 HE2 LYS A 13 11.678 3.485 -8.020 1.00 10.00 H new ATOM 0 HE3 LYS A 13 12.949 3.805 -6.857 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 13.519 4.413 -9.148 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 14.599 3.287 -8.478 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 13.428 2.779 -9.598 1.00 10.00 H new ATOM 205 N HIS A 14 7.792 4.173 -4.754 1.00 10.00 N ATOM 206 CA HIS A 14 6.837 4.804 -3.873 1.00 10.00 C ATOM 207 C HIS A 14 5.453 4.582 -4.498 1.00 10.00 C ATOM 208 O HIS A 14 5.352 4.228 -5.686 1.00 10.00 O ATOM 209 CB HIS A 14 7.211 6.281 -3.758 1.00 10.00 C ATOM 210 CG HIS A 14 6.131 7.060 -3.070 1.00 10.00 C ATOM 211 ND1 HIS A 14 5.631 6.786 -1.801 1.00 10.00 N ATOM 212 CD2 HIS A 14 5.363 8.020 -3.669 1.00 10.00 C ATOM 213 CE1 HIS A 14 4.583 7.600 -1.656 1.00 10.00 C ATOM 214 NE2 HIS A 14 4.398 8.351 -2.753 1.00 10.00 N ATOM 0 H HIS A 14 7.556 4.326 -5.734 1.00 10.00 H new ATOM 0 HA HIS A 14 6.833 4.391 -2.864 1.00 10.00 H new ATOM 0 HB2 HIS A 14 8.144 6.381 -3.204 1.00 10.00 H new ATOM 0 HB3 HIS A 14 7.384 6.694 -4.752 1.00 10.00 H new ATOM 0 HD2 HIS A 14 5.490 8.432 -4.659 1.00 10.00 H new ATOM 0 HE1 HIS A 14 3.965 7.648 -0.772 1.00 10.00 H new ATOM 0 HE2 HIS A 14 3.665 9.048 -2.883 1.00 10.00 H new ATOM 222 N HIS A 15 4.402 4.706 -3.689 1.00 10.00 N ATOM 223 CA HIS A 15 3.021 4.454 -4.083 1.00 10.00 C ATOM 224 C HIS A 15 2.413 5.579 -4.902 1.00 10.00 C ATOM 225 O HIS A 15 2.660 6.759 -4.654 1.00 10.00 O ATOM 226 CB HIS A 15 2.148 4.196 -2.847 1.00 10.00 C ATOM 227 CG HIS A 15 2.297 2.807 -2.289 1.00 10.00 C ATOM 228 ND1 HIS A 15 2.910 2.486 -1.071 1.00 10.00 N ATOM 229 CD2 HIS A 15 1.786 1.674 -2.849 1.00 10.00 C ATOM 230 CE1 HIS A 15 2.722 1.167 -0.917 1.00 10.00 C ATOM 231 NE2 HIS A 15 2.060 0.644 -1.968 1.00 10.00 N ATOM 0 H HIS A 15 4.493 4.993 -2.714 1.00 10.00 H new ATOM 0 HA HIS A 15 3.047 3.569 -4.719 1.00 10.00 H new ATOM 0 HB2 HIS A 15 2.404 4.920 -2.073 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.103 4.365 -3.108 1.00 10.00 H new ATOM 0 HD2 HIS A 15 1.269 1.596 -3.794 1.00 10.00 H new ATOM 0 HE1 HIS A 15 3.057 0.598 -0.062 1.00 10.00 H new ATOM 0 HE2 HIS A 15 1.806 -0.336 -2.091 1.00 10.00 H new ATOM 239 N VAL A 16 1.545 5.184 -5.827 1.00 10.00 N ATOM 240 CA VAL A 16 0.798 6.003 -6.771 1.00 10.00 C ATOM 241 C VAL A 16 -0.626 5.398 -6.876 1.00 10.00 C ATOM 242 O VAL A 16 -0.865 4.278 -6.418 1.00 10.00 O ATOM 243 CB VAL A 16 1.581 6.020 -8.120 1.00 10.00 C ATOM 244 CG1 VAL A 16 3.072 6.388 -7.940 1.00 10.00 C ATOM 245 CG2 VAL A 16 1.520 4.685 -8.868 1.00 10.00 C ATOM 0 H VAL A 16 1.328 4.194 -5.944 1.00 10.00 H new ATOM 0 HA VAL A 16 0.691 7.042 -6.458 1.00 10.00 H new ATOM 0 HB VAL A 16 1.078 6.788 -8.707 1.00 10.00 H new ATOM 0 HG11 VAL A 16 3.567 6.384 -8.911 1.00 10.00 H new ATOM 0 HG12 VAL A 16 3.151 7.380 -7.496 1.00 10.00 H new ATOM 0 HG13 VAL A 16 3.550 5.659 -7.286 1.00 10.00 H new ATOM 0 HG21 VAL A 16 2.084 4.763 -9.798 1.00 10.00 H new ATOM 0 HG22 VAL A 16 1.951 3.900 -8.247 1.00 10.00 H new ATOM 0 HG23 VAL A 16 0.482 4.441 -9.093 1.00 10.00 H new ATOM 255 N GLU A 17 -1.559 6.083 -7.544 1.00 10.00 N ATOM 256 CA GLU A 17 -2.920 5.591 -7.775 1.00 10.00 C ATOM 257 C GLU A 17 -3.107 5.324 -9.274 1.00 10.00 C ATOM 258 O GLU A 17 -3.882 4.452 -9.662 1.00 10.00 O ATOM 259 CB GLU A 17 -3.957 6.578 -7.197 1.00 10.00 C ATOM 260 CG GLU A 17 -3.596 8.081 -7.258 1.00 10.00 C ATOM 261 CD GLU A 17 -3.287 8.554 -8.666 1.00 10.00 C ATOM 262 OE1 GLU A 17 -4.245 8.712 -9.454 1.00 10.00 O ATOM 263 OE2 GLU A 17 -2.082 8.576 -8.999 1.00 10.00 O ATOM 0 H GLU A 17 -1.388 7.006 -7.944 1.00 10.00 H new ATOM 0 HA GLU A 17 -3.079 4.648 -7.251 1.00 10.00 H new ATOM 0 HB2 GLU A 17 -4.898 6.432 -7.728 1.00 10.00 H new ATOM 0 HB3 GLU A 17 -4.135 6.313 -6.155 1.00 10.00 H new ATOM 0 HG2 GLU A 17 -4.424 8.666 -6.857 1.00 10.00 H new ATOM 0 HG3 GLU A 17 -2.733 8.269 -6.619 1.00 10.00 H new ATOM 270 N THR A 18 -2.386 6.041 -10.129 1.00 10.00 N ATOM 271 CA THR A 18 -2.439 5.945 -11.578 1.00 10.00 C ATOM 272 C THR A 18 -1.005 5.759 -12.059 1.00 10.00 C ATOM 273 O THR A 18 -0.095 6.433 -11.579 1.00 10.00 O ATOM 274 CB THR A 18 -3.122 7.217 -12.125 1.00 10.00 C ATOM 275 OG1 THR A 18 -4.419 7.309 -11.552 1.00 10.00 O ATOM 276 CG2 THR A 18 -3.323 7.213 -13.656 1.00 10.00 C ATOM 0 H THR A 18 -1.715 6.740 -9.811 1.00 10.00 H new ATOM 0 HA THR A 18 -3.027 5.101 -11.938 1.00 10.00 H new ATOM 0 HB THR A 18 -2.466 8.049 -11.869 1.00 10.00 H new ATOM 0 HG1 THR A 18 -4.363 7.765 -10.686 1.00 10.00 H new ATOM 0 HG21 THR A 18 -3.808 8.140 -13.962 1.00 10.00 H new ATOM 0 HG22 THR A 18 -2.355 7.130 -14.150 1.00 10.00 H new ATOM 0 HG23 THR A 18 -3.948 6.366 -13.939 1.00 10.00 H new ATOM 284 N ARG A 19 -0.769 4.817 -12.989 1.00 10.00 N ATOM 285 CA ARG A 19 0.579 4.521 -13.480 1.00 10.00 C ATOM 286 C ARG A 19 0.556 4.039 -14.915 1.00 10.00 C ATOM 287 O ARG A 19 -0.462 3.569 -15.415 1.00 10.00 O ATOM 288 CB ARG A 19 1.224 3.420 -12.619 1.00 10.00 C ATOM 289 CG ARG A 19 0.752 1.991 -12.991 1.00 10.00 C ATOM 290 CD ARG A 19 0.862 1.058 -11.799 1.00 10.00 C ATOM 291 NE ARG A 19 1.568 -0.192 -12.067 1.00 10.00 N ATOM 292 CZ ARG A 19 1.083 -1.397 -12.425 1.00 10.00 C ATOM 293 NH1 ARG A 19 -0.214 -1.638 -12.584 1.00 10.00 N ATOM 294 NH2 ARG A 19 1.975 -2.351 -12.605 1.00 10.00 N ATOM 0 H ARG A 19 -1.501 4.248 -13.414 1.00 10.00 H new ATOM 0 HA ARG A 19 1.153 5.446 -13.421 1.00 10.00 H new ATOM 0 HB2 ARG A 19 2.308 3.475 -12.724 1.00 10.00 H new ATOM 0 HB3 ARG A 19 0.995 3.609 -11.570 1.00 10.00 H new ATOM 0 HG2 ARG A 19 -0.281 2.024 -13.339 1.00 10.00 H new ATOM 0 HG3 ARG A 19 1.354 1.608 -13.815 1.00 10.00 H new ATOM 0 HD2 ARG A 19 1.372 1.582 -10.991 1.00 10.00 H new ATOM 0 HD3 ARG A 19 -0.142 0.824 -11.444 1.00 10.00 H new ATOM 0 HE ARG A 19 2.582 -0.146 -11.968 1.00 10.00 H new ATOM 0 HH11 ARG A 19 -0.893 -0.892 -12.434 1.00 10.00 H new ATOM 0 HH12 ARG A 19 -0.530 -2.569 -12.856 1.00 10.00 H new ATOM 0 HH21 ARG A 19 2.967 -2.153 -12.472 1.00 10.00 H new ATOM 0 HH22 ARG A 19 1.673 -3.287 -12.877 1.00 10.00 H new ATOM 308 N TRP A 20 1.742 3.993 -15.486 1.00 10.00 N ATOM 309 CA TRP A 20 2.097 3.390 -16.748 1.00 10.00 C ATOM 310 C TRP A 20 2.783 2.112 -16.293 1.00 10.00 C ATOM 311 O TRP A 20 3.506 2.132 -15.291 1.00 10.00 O ATOM 312 CB TRP A 20 2.993 4.378 -17.488 1.00 10.00 C ATOM 313 CG TRP A 20 2.290 5.679 -17.748 1.00 10.00 C ATOM 314 CD1 TRP A 20 2.164 6.694 -16.873 1.00 10.00 C ATOM 315 CD2 TRP A 20 1.474 6.061 -18.887 1.00 10.00 C ATOM 316 NE1 TRP A 20 1.311 7.654 -17.365 1.00 10.00 N ATOM 317 CE2 TRP A 20 0.836 7.306 -18.609 1.00 10.00 C ATOM 318 CE3 TRP A 20 1.165 5.463 -20.116 1.00 10.00 C ATOM 319 CZ2 TRP A 20 -0.071 7.929 -19.485 1.00 10.00 C ATOM 320 CZ3 TRP A 20 0.274 6.087 -21.018 1.00 10.00 C ATOM 321 CH2 TRP A 20 -0.350 7.307 -20.711 1.00 10.00 C ATOM 0 H TRP A 20 2.553 4.416 -15.035 1.00 10.00 H new ATOM 0 HA TRP A 20 1.292 3.162 -17.447 1.00 10.00 H new ATOM 0 HB2 TRP A 20 3.894 4.562 -16.902 1.00 10.00 H new ATOM 0 HB3 TRP A 20 3.312 3.941 -18.434 1.00 10.00 H new ATOM 0 HD1 TRP A 20 2.664 6.747 -15.917 1.00 10.00 H new ATOM 0 HE1 TRP A 20 1.063 8.512 -16.872 1.00 10.00 H new ATOM 0 HE3 TRP A 20 1.613 4.515 -20.377 1.00 10.00 H new ATOM 0 HZ2 TRP A 20 -0.542 8.864 -19.220 1.00 10.00 H new ATOM 0 HZ3 TRP A 20 0.068 5.614 -21.967 1.00 10.00 H new ATOM 0 HH2 TRP A 20 -1.036 7.761 -21.410 1.00 10.00 H new ATOM 332 N HIS A 21 2.532 0.987 -16.950 1.00 10.00 N ATOM 333 CA HIS A 21 3.007 -0.310 -16.491 1.00 10.00 C ATOM 334 C HIS A 21 3.512 -1.108 -17.669 1.00 10.00 C ATOM 335 O HIS A 21 2.772 -1.372 -18.611 1.00 10.00 O ATOM 336 CB HIS A 21 1.843 -1.018 -15.780 1.00 10.00 C ATOM 337 CG HIS A 21 1.840 -2.529 -15.704 1.00 10.00 C ATOM 338 ND1 HIS A 21 0.707 -3.324 -15.506 1.00 10.00 N ATOM 339 CD2 HIS A 21 2.928 -3.346 -15.806 1.00 10.00 C ATOM 340 CE1 HIS A 21 1.147 -4.598 -15.541 1.00 10.00 C ATOM 341 NE2 HIS A 21 2.469 -4.638 -15.726 1.00 10.00 N ATOM 0 H HIS A 21 1.994 0.949 -17.816 1.00 10.00 H new ATOM 0 HA HIS A 21 3.836 -0.201 -15.791 1.00 10.00 H new ATOM 0 HB2 HIS A 21 1.800 -0.637 -14.760 1.00 10.00 H new ATOM 0 HB3 HIS A 21 0.921 -0.712 -16.274 1.00 10.00 H new ATOM 0 HD2 HIS A 21 3.955 -3.036 -15.927 1.00 10.00 H new ATOM 0 HE1 HIS A 21 0.516 -5.468 -15.434 1.00 10.00 H new ATOM 0 HE2 HIS A 21 3.039 -5.481 -15.796 1.00 10.00 H new ATOM 349 N CYS A 22 4.783 -1.478 -17.633 1.00 10.00 N ATOM 350 CA CYS A 22 5.477 -2.289 -18.621 1.00 10.00 C ATOM 351 C CYS A 22 5.005 -3.739 -18.585 1.00 10.00 C ATOM 352 O CYS A 22 5.148 -4.428 -17.575 1.00 10.00 O ATOM 353 CB CYS A 22 6.971 -2.176 -18.316 1.00 10.00 C ATOM 354 SG CYS A 22 7.700 -1.003 -19.472 1.00 10.00 S ATOM 0 H CYS A 22 5.395 -1.203 -16.865 1.00 10.00 H new ATOM 0 HA CYS A 22 5.264 -1.933 -19.629 1.00 10.00 H new ATOM 0 HB2 CYS A 22 7.124 -1.842 -17.290 1.00 10.00 H new ATOM 0 HB3 CYS A 22 7.452 -3.150 -18.410 1.00 10.00 H new ATOM 359 N THR A 23 4.494 -4.204 -19.732 1.00 10.00 N ATOM 360 CA THR A 23 4.020 -5.581 -19.908 1.00 10.00 C ATOM 361 C THR A 23 5.036 -6.437 -20.687 1.00 10.00 C ATOM 362 O THR A 23 4.726 -7.505 -21.201 1.00 10.00 O ATOM 363 CB THR A 23 2.568 -5.653 -20.421 1.00 10.00 C ATOM 364 OG1 THR A 23 2.321 -4.856 -21.556 1.00 10.00 O ATOM 365 CG2 THR A 23 1.678 -5.091 -19.331 1.00 10.00 C ATOM 0 H THR A 23 4.398 -3.630 -20.570 1.00 10.00 H new ATOM 0 HA THR A 23 3.964 -6.042 -18.922 1.00 10.00 H new ATOM 0 HB THR A 23 2.378 -6.694 -20.682 1.00 10.00 H new ATOM 0 HG1 THR A 23 3.157 -4.437 -21.849 1.00 10.00 H new ATOM 0 HG21 THR A 23 0.638 -5.125 -19.657 1.00 10.00 H new ATOM 0 HG22 THR A 23 1.794 -5.685 -18.424 1.00 10.00 H new ATOM 0 HG23 THR A 23 1.961 -4.058 -19.127 1.00 10.00 H new ATOM 373 N VAL A 24 6.230 -5.874 -20.785 1.00 10.00 N ATOM 374 CA VAL A 24 7.478 -6.273 -21.367 1.00 10.00 C ATOM 375 C VAL A 24 8.376 -6.733 -20.219 1.00 10.00 C ATOM 376 O VAL A 24 8.782 -7.889 -20.176 1.00 10.00 O ATOM 377 CB VAL A 24 8.000 -4.999 -22.062 1.00 10.00 C ATOM 378 CG1 VAL A 24 7.742 -3.681 -21.308 1.00 10.00 C ATOM 379 CG2 VAL A 24 9.475 -5.096 -22.484 1.00 10.00 C ATOM 0 H VAL A 24 6.348 -4.949 -20.372 1.00 10.00 H new ATOM 0 HA VAL A 24 7.421 -7.090 -22.086 1.00 10.00 H new ATOM 0 HB VAL A 24 7.387 -4.954 -22.962 1.00 10.00 H new ATOM 0 HG11 VAL A 24 8.148 -2.848 -21.882 1.00 10.00 H new ATOM 0 HG12 VAL A 24 6.669 -3.542 -21.176 1.00 10.00 H new ATOM 0 HG13 VAL A 24 8.226 -3.719 -20.332 1.00 10.00 H new ATOM 0 HG21 VAL A 24 9.777 -4.167 -22.966 1.00 10.00 H new ATOM 0 HG22 VAL A 24 10.095 -5.266 -21.604 1.00 10.00 H new ATOM 0 HG23 VAL A 24 9.600 -5.924 -23.182 1.00 10.00 H new ATOM 389 N CYS A 25 8.630 -5.811 -19.292 1.00 10.00 N ATOM 390 CA CYS A 25 9.360 -6.004 -18.063 1.00 10.00 C ATOM 391 C CYS A 25 8.449 -6.767 -17.081 1.00 10.00 C ATOM 392 O CYS A 25 7.253 -6.963 -17.331 1.00 10.00 O ATOM 393 CB CYS A 25 9.724 -4.629 -17.444 1.00 10.00 C ATOM 394 SG CYS A 25 10.401 -3.391 -18.606 1.00 10.00 S ATOM 0 H CYS A 25 8.305 -4.850 -19.397 1.00 10.00 H new ATOM 0 HA CYS A 25 10.276 -6.562 -18.258 1.00 10.00 H new ATOM 0 HB2 CYS A 25 8.831 -4.213 -16.978 1.00 10.00 H new ATOM 0 HB3 CYS A 25 10.452 -4.790 -16.649 1.00 10.00 H new ATOM 399 N GLU A 26 8.994 -7.158 -15.933 1.00 10.00 N ATOM 400 CA GLU A 26 8.263 -7.846 -14.872 1.00 10.00 C ATOM 401 C GLU A 26 7.576 -6.796 -13.991 1.00 10.00 C ATOM 402 O GLU A 26 8.171 -6.240 -13.071 1.00 10.00 O ATOM 403 CB GLU A 26 9.198 -8.731 -14.016 1.00 10.00 C ATOM 404 CG GLU A 26 9.138 -10.205 -14.436 1.00 10.00 C ATOM 405 CD GLU A 26 9.998 -11.103 -13.541 1.00 10.00 C ATOM 406 OE1 GLU A 26 11.232 -11.076 -13.748 1.00 10.00 O ATOM 407 OE2 GLU A 26 9.417 -11.807 -12.680 1.00 10.00 O ATOM 0 H GLU A 26 9.977 -7.002 -15.709 1.00 10.00 H new ATOM 0 HA GLU A 26 7.522 -8.504 -15.325 1.00 10.00 H new ATOM 0 HB2 GLU A 26 10.222 -8.370 -14.107 1.00 10.00 H new ATOM 0 HB3 GLU A 26 8.920 -8.642 -12.966 1.00 10.00 H new ATOM 0 HG2 GLU A 26 8.104 -10.547 -14.403 1.00 10.00 H new ATOM 0 HG3 GLU A 26 9.472 -10.299 -15.469 1.00 10.00 H new ATOM 414 N ASP A 27 6.298 -6.530 -14.312 1.00 10.00 N ATOM 415 CA ASP A 27 5.395 -5.608 -13.604 1.00 10.00 C ATOM 416 C ASP A 27 6.034 -4.273 -13.187 1.00 10.00 C ATOM 417 O ASP A 27 5.778 -3.719 -12.110 1.00 10.00 O ATOM 418 CB ASP A 27 4.693 -6.349 -12.454 1.00 10.00 C ATOM 419 CG ASP A 27 3.549 -5.536 -11.832 1.00 10.00 C ATOM 420 OD1 ASP A 27 2.663 -5.084 -12.592 1.00 10.00 O ATOM 421 OD2 ASP A 27 3.552 -5.312 -10.601 1.00 10.00 O ATOM 0 H ASP A 27 5.845 -6.974 -15.111 1.00 10.00 H new ATOM 0 HA ASP A 27 4.635 -5.289 -14.318 1.00 10.00 H new ATOM 0 HB2 ASP A 27 4.300 -7.296 -12.824 1.00 10.00 H new ATOM 0 HB3 ASP A 27 5.424 -6.588 -11.682 1.00 10.00 H new ATOM 426 N TYR A 28 6.900 -3.770 -14.063 1.00 10.00 N ATOM 427 CA TYR A 28 7.599 -2.510 -13.889 1.00 10.00 C ATOM 428 C TYR A 28 6.555 -1.405 -14.093 1.00 10.00 C ATOM 429 O TYR A 28 5.662 -1.516 -14.936 1.00 10.00 O ATOM 430 CB TYR A 28 8.776 -2.436 -14.879 1.00 10.00 C ATOM 431 CG TYR A 28 9.674 -1.211 -14.785 1.00 10.00 C ATOM 432 CD1 TYR A 28 9.229 0.014 -15.315 1.00 10.00 C ATOM 433 CD2 TYR A 28 10.972 -1.318 -14.256 1.00 10.00 C ATOM 434 CE1 TYR A 28 10.071 1.141 -15.292 1.00 10.00 C ATOM 435 CE2 TYR A 28 11.810 -0.183 -14.228 1.00 10.00 C ATOM 436 CZ TYR A 28 11.370 1.056 -14.746 1.00 10.00 C ATOM 437 OH TYR A 28 12.227 2.114 -14.868 1.00 10.00 O ATOM 0 H TYR A 28 7.138 -4.244 -14.935 1.00 10.00 H new ATOM 0 HA TYR A 28 8.039 -2.400 -12.898 1.00 10.00 H new ATOM 0 HB2 TYR A 28 9.395 -3.322 -14.739 1.00 10.00 H new ATOM 0 HB3 TYR A 28 8.373 -2.485 -15.891 1.00 10.00 H new ATOM 0 HD1 TYR A 28 8.239 0.089 -15.740 1.00 10.00 H new ATOM 0 HD2 TYR A 28 11.326 -2.264 -13.873 1.00 10.00 H new ATOM 0 HE1 TYR A 28 9.720 2.079 -15.696 1.00 10.00 H new ATOM 0 HE2 TYR A 28 12.801 -0.262 -13.805 1.00 10.00 H new ATOM 0 HH TYR A 28 13.080 1.895 -14.438 1.00 10.00 H new ATOM 447 N ASP A 29 6.681 -0.330 -13.337 1.00 10.00 N ATOM 448 CA ASP A 29 5.733 0.774 -13.318 1.00 10.00 C ATOM 449 C ASP A 29 6.447 2.101 -13.424 1.00 10.00 C ATOM 450 O ASP A 29 7.599 2.210 -13.008 1.00 10.00 O ATOM 451 CB ASP A 29 4.979 0.895 -11.985 1.00 10.00 C ATOM 452 CG ASP A 29 4.881 -0.332 -11.090 1.00 10.00 C ATOM 453 OD1 ASP A 29 4.020 -1.184 -11.372 1.00 10.00 O ATOM 454 OD2 ASP A 29 5.578 -0.404 -10.048 1.00 10.00 O ATOM 0 H ASP A 29 7.467 -0.195 -12.701 1.00 10.00 H new ATOM 0 HA ASP A 29 5.061 0.563 -14.150 1.00 10.00 H new ATOM 0 HB2 ASP A 29 5.453 1.689 -11.408 1.00 10.00 H new ATOM 0 HB3 ASP A 29 3.964 1.225 -12.207 1.00 10.00 H new ATOM 459 N LEU A 30 5.709 3.119 -13.851 1.00 10.00 N ATOM 460 CA LEU A 30 6.126 4.490 -13.809 1.00 10.00 C ATOM 461 C LEU A 30 4.922 5.392 -13.523 1.00 10.00 C ATOM 462 O LEU A 30 3.892 5.249 -14.178 1.00 10.00 O ATOM 463 CB LEU A 30 6.696 4.927 -15.160 1.00 10.00 C ATOM 464 CG LEU A 30 8.043 4.288 -15.550 1.00 10.00 C ATOM 465 CD1 LEU A 30 8.509 4.946 -16.852 1.00 10.00 C ATOM 466 CD2 LEU A 30 9.148 4.529 -14.529 1.00 10.00 C ATOM 0 H LEU A 30 4.777 2.995 -14.246 1.00 10.00 H new ATOM 0 HA LEU A 30 6.883 4.578 -13.030 1.00 10.00 H new ATOM 0 HB2 LEU A 30 5.966 4.695 -15.935 1.00 10.00 H new ATOM 0 HB3 LEU A 30 6.817 6.010 -15.150 1.00 10.00 H new ATOM 0 HG LEU A 30 7.876 3.214 -15.628 1.00 10.00 H new ATOM 0 HD11 LEU A 30 9.463 4.515 -17.156 1.00 10.00 H new ATOM 0 HD12 LEU A 30 7.768 4.774 -17.632 1.00 10.00 H new ATOM 0 HD13 LEU A 30 8.629 6.018 -16.695 1.00 10.00 H new ATOM 0 HD21 LEU A 30 10.067 4.051 -14.868 1.00 10.00 H new ATOM 0 HD22 LEU A 30 9.315 5.601 -14.420 1.00 10.00 H new ATOM 0 HD23 LEU A 30 8.853 4.108 -13.568 1.00 10.00 H new ATOM 478 N CYS A 31 5.071 6.338 -12.584 1.00 10.00 N ATOM 479 CA CYS A 31 4.081 7.378 -12.410 1.00 10.00 C ATOM 480 C CYS A 31 4.102 8.230 -13.682 1.00 10.00 C ATOM 481 O CYS A 31 4.989 8.137 -14.531 1.00 10.00 O ATOM 482 CB CYS A 31 4.401 8.254 -11.200 1.00 10.00 C ATOM 483 SG CYS A 31 5.978 9.147 -11.297 1.00 10.00 S ATOM 0 H CYS A 31 5.864 6.393 -11.945 1.00 10.00 H new ATOM 0 HA CYS A 31 3.100 6.934 -12.238 1.00 10.00 H new ATOM 0 HB2 CYS A 31 3.597 8.979 -11.072 1.00 10.00 H new ATOM 0 HB3 CYS A 31 4.410 7.627 -10.308 1.00 10.00 H new ATOM 488 N ILE A 32 3.101 9.082 -13.801 1.00 10.00 N ATOM 489 CA ILE A 32 2.894 9.915 -14.964 1.00 10.00 C ATOM 490 C ILE A 32 4.127 10.770 -15.266 1.00 10.00 C ATOM 491 O ILE A 32 4.576 10.848 -16.409 1.00 10.00 O ATOM 492 CB ILE A 32 1.623 10.773 -14.754 1.00 10.00 C ATOM 493 CG1 ILE A 32 0.427 10.036 -14.102 1.00 10.00 C ATOM 494 CG2 ILE A 32 1.294 11.434 -16.095 1.00 10.00 C ATOM 495 CD1 ILE A 32 0.080 8.616 -14.589 1.00 10.00 C ATOM 0 H ILE A 32 2.396 9.215 -13.075 1.00 10.00 H new ATOM 0 HA ILE A 32 2.744 9.283 -15.839 1.00 10.00 H new ATOM 0 HB ILE A 32 1.834 11.534 -14.003 1.00 10.00 H new ATOM 0 HG12 ILE A 32 0.617 9.981 -13.030 1.00 10.00 H new ATOM 0 HG13 ILE A 32 -0.458 10.658 -14.237 1.00 10.00 H new ATOM 0 HG21 ILE A 32 0.401 12.050 -15.988 1.00 10.00 H new ATOM 0 HG22 ILE A 32 2.130 12.059 -16.407 1.00 10.00 H new ATOM 0 HG23 ILE A 32 1.116 10.664 -16.846 1.00 10.00 H new ATOM 0 HD11 ILE A 32 -0.780 8.241 -14.034 1.00 10.00 H new ATOM 0 HD12 ILE A 32 -0.159 8.644 -15.652 1.00 10.00 H new ATOM 0 HD13 ILE A 32 0.933 7.957 -14.426 1.00 10.00 H new ATOM 507 N ASN A 33 4.672 11.401 -14.233 1.00 10.00 N ATOM 508 CA ASN A 33 5.812 12.283 -14.330 1.00 10.00 C ATOM 509 C ASN A 33 7.075 11.533 -14.722 1.00 10.00 C ATOM 510 O ASN A 33 7.840 12.026 -15.551 1.00 10.00 O ATOM 511 CB ASN A 33 5.997 13.001 -12.988 1.00 10.00 C ATOM 512 CG ASN A 33 7.334 13.728 -12.899 1.00 10.00 C ATOM 513 OD1 ASN A 33 7.499 14.795 -13.476 1.00 10.00 O ATOM 514 ND2 ASN A 33 8.298 13.171 -12.200 1.00 10.00 N ATOM 0 H ASN A 33 4.318 11.306 -13.281 1.00 10.00 H new ATOM 0 HA ASN A 33 5.625 13.014 -15.117 1.00 10.00 H new ATOM 0 HB2 ASN A 33 5.187 13.717 -12.847 1.00 10.00 H new ATOM 0 HB3 ASN A 33 5.926 12.275 -12.178 1.00 10.00 H new ATOM 0 HD21 ASN A 33 9.207 13.628 -12.130 1.00 10.00 H new ATOM 0 HD22 ASN A 33 8.137 12.281 -11.728 1.00 10.00 H new ATOM 521 N CYS A 34 7.278 10.330 -14.183 1.00 10.00 N ATOM 522 CA CYS A 34 8.412 9.516 -14.551 1.00 10.00 C ATOM 523 C CYS A 34 8.229 9.014 -15.978 1.00 10.00 C ATOM 524 O CYS A 34 9.174 9.064 -16.753 1.00 10.00 O ATOM 525 CB CYS A 34 8.595 8.356 -13.584 1.00 10.00 C ATOM 526 SG CYS A 34 9.539 8.910 -12.150 1.00 10.00 S ATOM 0 H CYS A 34 6.663 9.906 -13.488 1.00 10.00 H new ATOM 0 HA CYS A 34 9.315 10.124 -14.498 1.00 10.00 H new ATOM 0 HB2 CYS A 34 7.624 7.975 -13.268 1.00 10.00 H new ATOM 0 HB3 CYS A 34 9.114 7.535 -14.079 1.00 10.00 H new ATOM 531 N TYR A 35 7.038 8.560 -16.370 1.00 10.00 N ATOM 532 CA TYR A 35 6.779 8.118 -17.744 1.00 10.00 C ATOM 533 C TYR A 35 7.173 9.243 -18.714 1.00 10.00 C ATOM 534 O TYR A 35 7.920 9.001 -19.663 1.00 10.00 O ATOM 535 CB TYR A 35 5.313 7.654 -17.897 1.00 10.00 C ATOM 536 CG TYR A 35 4.991 7.154 -19.297 1.00 10.00 C ATOM 537 CD1 TYR A 35 5.688 6.043 -19.801 1.00 10.00 C ATOM 538 CD2 TYR A 35 4.031 7.797 -20.102 1.00 10.00 C ATOM 539 CE1 TYR A 35 5.456 5.596 -21.114 1.00 10.00 C ATOM 540 CE2 TYR A 35 3.804 7.358 -21.427 1.00 10.00 C ATOM 541 CZ TYR A 35 4.512 6.248 -21.938 1.00 10.00 C ATOM 542 OH TYR A 35 4.330 5.830 -23.217 1.00 10.00 O ATOM 0 H TYR A 35 6.231 8.488 -15.751 1.00 10.00 H new ATOM 0 HA TYR A 35 7.390 7.249 -17.989 1.00 10.00 H new ATOM 0 HB2 TYR A 35 5.112 6.859 -17.178 1.00 10.00 H new ATOM 0 HB3 TYR A 35 4.648 8.482 -17.651 1.00 10.00 H new ATOM 0 HD1 TYR A 35 6.405 5.530 -19.177 1.00 10.00 H new ATOM 0 HD2 TYR A 35 3.466 8.628 -19.706 1.00 10.00 H new ATOM 0 HE1 TYR A 35 6.004 4.747 -21.495 1.00 10.00 H new ATOM 0 HE2 TYR A 35 3.087 7.873 -22.050 1.00 10.00 H new ATOM 0 HH TYR A 35 3.645 6.383 -23.647 1.00 10.00 H new ATOM 552 N ASN A 36 6.751 10.478 -18.406 1.00 10.00 N ATOM 553 CA ASN A 36 7.012 11.718 -19.130 1.00 10.00 C ATOM 554 C ASN A 36 8.477 12.099 -19.287 1.00 10.00 C ATOM 555 O ASN A 36 8.773 13.008 -20.066 1.00 10.00 O ATOM 556 CB ASN A 36 6.276 12.873 -18.432 1.00 10.00 C ATOM 557 CG ASN A 36 4.940 13.177 -19.074 1.00 10.00 C ATOM 558 OD1 ASN A 36 4.820 14.037 -19.939 1.00 10.00 O ATOM 559 ND2 ASN A 36 3.894 12.470 -18.672 1.00 10.00 N ATOM 0 H ASN A 36 6.175 10.642 -17.580 1.00 10.00 H new ATOM 0 HA ASN A 36 6.648 11.536 -20.141 1.00 10.00 H new ATOM 0 HB2 ASN A 36 6.123 12.621 -17.383 1.00 10.00 H new ATOM 0 HB3 ASN A 36 6.900 13.766 -18.458 1.00 10.00 H new ATOM 0 HD21 ASN A 36 2.976 12.639 -19.083 1.00 10.00 H new ATOM 0 HD22 ASN A 36 4.007 11.757 -17.951 1.00 10.00 H new ATOM 566 N THR A 37 9.405 11.484 -18.550 1.00 10.00 N ATOM 567 CA THR A 37 10.815 11.869 -18.589 1.00 10.00 C ATOM 568 C THR A 37 11.735 10.679 -18.859 1.00 10.00 C ATOM 569 O THR A 37 12.665 10.768 -19.661 1.00 10.00 O ATOM 570 CB THR A 37 11.173 12.595 -17.273 1.00 10.00 C ATOM 571 OG1 THR A 37 10.738 11.856 -16.145 1.00 10.00 O ATOM 572 CG2 THR A 37 10.555 14.007 -17.194 1.00 10.00 C ATOM 0 H THR A 37 9.202 10.712 -17.915 1.00 10.00 H new ATOM 0 HA THR A 37 10.971 12.551 -19.425 1.00 10.00 H new ATOM 0 HB THR A 37 12.259 12.684 -17.268 1.00 10.00 H new ATOM 0 HG1 THR A 37 9.767 11.949 -16.048 1.00 10.00 H new ATOM 0 HG21 THR A 37 10.836 14.475 -16.251 1.00 10.00 H new ATOM 0 HG22 THR A 37 10.923 14.612 -18.023 1.00 10.00 H new ATOM 0 HG23 THR A 37 9.469 13.933 -17.253 1.00 10.00 H new ATOM 580 N LYS A 38 11.458 9.545 -18.223 1.00 10.00 N ATOM 581 CA LYS A 38 12.229 8.314 -18.345 1.00 10.00 C ATOM 582 C LYS A 38 12.063 7.669 -19.731 1.00 10.00 C ATOM 583 O LYS A 38 12.815 6.745 -20.027 1.00 10.00 O ATOM 584 CB LYS A 38 11.875 7.347 -17.189 1.00 10.00 C ATOM 585 CG LYS A 38 11.924 7.963 -15.774 1.00 10.00 C ATOM 586 CD LYS A 38 13.327 8.308 -15.246 1.00 10.00 C ATOM 587 CE LYS A 38 13.229 9.183 -13.988 1.00 10.00 C ATOM 588 NZ LYS A 38 12.538 8.512 -12.859 1.00 10.00 N ATOM 0 H LYS A 38 10.665 9.455 -17.588 1.00 10.00 H new ATOM 0 HA LYS A 38 13.288 8.558 -18.258 1.00 10.00 H new ATOM 0 HB2 LYS A 38 10.873 6.953 -17.361 1.00 10.00 H new ATOM 0 HB3 LYS A 38 12.561 6.501 -17.223 1.00 10.00 H new ATOM 0 HG2 LYS A 38 11.321 8.871 -15.772 1.00 10.00 H new ATOM 0 HG3 LYS A 38 11.455 7.267 -15.078 1.00 10.00 H new ATOM 0 HD2 LYS A 38 13.871 7.392 -15.017 1.00 10.00 H new ATOM 0 HD3 LYS A 38 13.893 8.831 -16.017 1.00 10.00 H new ATOM 0 HE2 LYS A 38 14.233 9.468 -13.673 1.00 10.00 H new ATOM 0 HE3 LYS A 38 12.699 10.103 -14.234 1.00 10.00 H new ATOM 0 HZ1 LYS A 38 12.736 9.025 -11.976 1.00 10.00 H new ATOM 0 HZ2 LYS A 38 11.513 8.506 -13.033 1.00 10.00 H new ATOM 0 HZ3 LYS A 38 12.880 7.533 -12.775 1.00 10.00 H new ATOM 602 N SER A 39 11.145 8.161 -20.575 1.00 10.00 N ATOM 603 CA SER A 39 10.962 7.751 -21.963 1.00 10.00 C ATOM 604 C SER A 39 10.928 6.217 -22.170 1.00 10.00 C ATOM 605 O SER A 39 11.544 5.686 -23.103 1.00 10.00 O ATOM 606 CB SER A 39 12.060 8.454 -22.811 1.00 10.00 C ATOM 607 OG SER A 39 12.082 9.852 -22.568 1.00 10.00 O ATOM 0 H SER A 39 10.485 8.885 -20.291 1.00 10.00 H new ATOM 0 HA SER A 39 9.973 8.066 -22.296 1.00 10.00 H new ATOM 0 HB2 SER A 39 13.034 8.026 -22.575 1.00 10.00 H new ATOM 0 HB3 SER A 39 11.879 8.269 -23.870 1.00 10.00 H new ATOM 0 HG SER A 39 12.427 10.022 -21.667 1.00 10.00 H new ATOM 613 N HIS A 40 10.199 5.508 -21.303 1.00 10.00 N ATOM 614 CA HIS A 40 10.039 4.071 -21.352 1.00 10.00 C ATOM 615 C HIS A 40 9.248 3.779 -22.620 1.00 10.00 C ATOM 616 O HIS A 40 8.088 4.177 -22.766 1.00 10.00 O ATOM 617 CB HIS A 40 9.357 3.560 -20.077 1.00 10.00 C ATOM 618 CG HIS A 40 10.127 2.441 -19.414 1.00 10.00 C ATOM 619 ND1 HIS A 40 11.084 2.553 -18.439 1.00 10.00 N ATOM 620 CD2 HIS A 40 9.987 1.109 -19.678 1.00 10.00 C ATOM 621 CE1 HIS A 40 11.484 1.323 -18.110 1.00 10.00 C ATOM 622 NE2 HIS A 40 10.804 0.385 -18.785 1.00 10.00 N ATOM 0 H HIS A 40 9.694 5.940 -20.530 1.00 10.00 H new ATOM 0 HA HIS A 40 10.994 3.547 -21.388 1.00 10.00 H new ATOM 0 HB2 HIS A 40 9.245 4.385 -19.374 1.00 10.00 H new ATOM 0 HB3 HIS A 40 8.354 3.211 -20.321 1.00 10.00 H new ATOM 0 HD1 HIS A 40 11.430 3.424 -18.036 1.00 10.00 H new ATOM 0 HD2 HIS A 40 9.356 0.681 -20.443 1.00 10.00 H new ATOM 0 HE1 HIS A 40 12.259 1.110 -17.389 1.00 10.00 H new ATOM 630 N THR A 41 9.924 3.180 -23.592 1.00 10.00 N ATOM 631 CA THR A 41 9.424 3.007 -24.941 1.00 10.00 C ATOM 632 C THR A 41 8.749 1.649 -25.192 1.00 10.00 C ATOM 633 O THR A 41 8.368 1.363 -26.329 1.00 10.00 O ATOM 634 CB THR A 41 10.628 3.191 -25.893 1.00 10.00 C ATOM 635 OG1 THR A 41 11.773 3.761 -25.282 1.00 10.00 O ATOM 636 CG2 THR A 41 10.258 4.023 -27.119 1.00 10.00 C ATOM 0 H THR A 41 10.858 2.793 -23.456 1.00 10.00 H new ATOM 0 HA THR A 41 8.641 3.745 -25.115 1.00 10.00 H new ATOM 0 HB THR A 41 10.890 2.176 -26.192 1.00 10.00 H new ATOM 0 HG1 THR A 41 11.497 4.483 -24.680 1.00 10.00 H new ATOM 0 HG21 THR A 41 11.131 4.130 -27.763 1.00 10.00 H new ATOM 0 HG22 THR A 41 9.459 3.525 -27.669 1.00 10.00 H new ATOM 0 HG23 THR A 41 9.919 5.009 -26.801 1.00 10.00 H new ATOM 644 N HIS A 42 8.638 0.782 -24.183 1.00 10.00 N ATOM 645 CA HIS A 42 8.125 -0.557 -24.397 1.00 10.00 C ATOM 646 C HIS A 42 6.593 -0.601 -24.442 1.00 10.00 C ATOM 647 O HIS A 42 5.918 0.364 -24.094 1.00 10.00 O ATOM 648 CB HIS A 42 8.626 -1.413 -23.252 1.00 10.00 C ATOM 649 CG HIS A 42 10.095 -1.325 -22.929 1.00 10.00 C ATOM 650 ND1 HIS A 42 10.572 -1.327 -21.624 1.00 10.00 N ATOM 651 CD2 HIS A 42 11.142 -1.244 -23.810 1.00 10.00 C ATOM 652 CE1 HIS A 42 11.904 -1.267 -21.724 1.00 10.00 C ATOM 653 NE2 HIS A 42 12.278 -1.201 -23.019 1.00 10.00 N ATOM 0 H HIS A 42 8.897 0.989 -23.218 1.00 10.00 H new ATOM 0 HA HIS A 42 8.473 -0.922 -25.364 1.00 10.00 H new ATOM 0 HB2 HIS A 42 8.065 -1.145 -22.357 1.00 10.00 H new ATOM 0 HB3 HIS A 42 8.389 -2.453 -23.477 1.00 10.00 H new ATOM 0 HD2 HIS A 42 11.092 -1.219 -24.889 1.00 10.00 H new ATOM 0 HE1 HIS A 42 12.585 -1.271 -20.886 1.00 10.00 H new ATOM 0 HE2 HIS A 42 13.237 -1.131 -23.359 1.00 10.00 H new ATOM 661 N LYS A 43 6.022 -1.772 -24.807 1.00 10.00 N ATOM 662 CA LYS A 43 4.576 -1.938 -24.831 1.00 10.00 C ATOM 663 C LYS A 43 4.030 -2.064 -23.402 1.00 10.00 C ATOM 664 O LYS A 43 3.918 -3.157 -22.834 1.00 10.00 O ATOM 665 CB LYS A 43 4.144 -3.102 -25.717 1.00 10.00 C ATOM 666 CG LYS A 43 2.647 -2.955 -26.083 1.00 10.00 C ATOM 667 CD LYS A 43 1.848 -4.266 -25.975 1.00 10.00 C ATOM 668 CE LYS A 43 1.710 -4.743 -24.516 1.00 10.00 C ATOM 669 NZ LYS A 43 0.813 -3.901 -23.699 1.00 10.00 N ATOM 0 H LYS A 43 6.547 -2.601 -25.084 1.00 10.00 H new ATOM 0 HA LYS A 43 4.143 -1.044 -25.279 1.00 10.00 H new ATOM 0 HB2 LYS A 43 4.749 -3.125 -26.623 1.00 10.00 H new ATOM 0 HB3 LYS A 43 4.310 -4.047 -25.199 1.00 10.00 H new ATOM 0 HG2 LYS A 43 2.194 -2.210 -25.429 1.00 10.00 H new ATOM 0 HG3 LYS A 43 2.567 -2.575 -27.102 1.00 10.00 H new ATOM 0 HD2 LYS A 43 0.856 -4.122 -26.404 1.00 10.00 H new ATOM 0 HD3 LYS A 43 2.341 -5.040 -26.564 1.00 10.00 H new ATOM 0 HE2 LYS A 43 1.337 -5.767 -24.512 1.00 10.00 H new ATOM 0 HE3 LYS A 43 2.697 -4.762 -24.054 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 0.947 -4.126 -22.693 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 1.035 -2.898 -23.862 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -0.175 -4.085 -23.967 1.00 10.00 H new ATOM 683 N MET A 44 3.677 -0.932 -22.836 1.00 10.00 N ATOM 684 CA MET A 44 3.063 -0.825 -21.531 1.00 10.00 C ATOM 685 C MET A 44 1.542 -0.981 -21.657 1.00 10.00 C ATOM 686 O MET A 44 1.000 -1.286 -22.734 1.00 10.00 O ATOM 687 CB MET A 44 3.417 0.579 -21.008 1.00 10.00 C ATOM 688 CG MET A 44 4.825 0.596 -20.440 1.00 10.00 C ATOM 689 SD MET A 44 5.593 2.204 -20.184 1.00 10.00 S ATOM 690 CE MET A 44 5.695 2.155 -18.368 1.00 10.00 C ATOM 0 H MET A 44 3.814 -0.028 -23.288 1.00 10.00 H new ATOM 0 HA MET A 44 3.418 -1.600 -20.852 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.336 1.306 -21.816 1.00 10.00 H new ATOM 0 HB3 MET A 44 2.705 0.877 -20.239 1.00 10.00 H new ATOM 0 HG2 MET A 44 4.809 0.074 -19.483 1.00 10.00 H new ATOM 0 HG3 MET A 44 5.465 0.019 -21.108 1.00 10.00 H new ATOM 0 HE1 MET A 44 5.556 3.160 -17.969 1.00 10.00 H new ATOM 0 HE2 MET A 44 4.918 1.498 -17.978 1.00 10.00 H new ATOM 0 HE3 MET A 44 6.673 1.778 -18.069 1.00 10.00 H new ATOM 700 N VAL A 45 0.876 -0.757 -20.537 1.00 10.00 N ATOM 701 CA VAL A 45 -0.535 -0.610 -20.276 1.00 10.00 C ATOM 702 C VAL A 45 -0.596 0.616 -19.332 1.00 10.00 C ATOM 703 O VAL A 45 0.433 1.135 -18.873 1.00 10.00 O ATOM 704 CB VAL A 45 -1.083 -1.902 -19.658 1.00 10.00 C ATOM 705 CG1 VAL A 45 -1.193 -3.055 -20.667 1.00 10.00 C ATOM 706 CG2 VAL A 45 -0.278 -2.357 -18.450 1.00 10.00 C ATOM 0 H VAL A 45 1.398 -0.661 -19.666 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.153 -0.448 -21.159 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.090 -1.646 -19.329 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.587 -3.940 -20.167 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -1.863 -2.767 -21.477 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -0.207 -3.277 -21.074 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -0.708 -3.276 -18.051 1.00 10.00 H new ATOM 0 HG22 VAL A 45 0.754 -2.540 -18.749 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.302 -1.582 -17.684 1.00 10.00 H new ATOM 716 N LYS A 46 -1.775 1.109 -18.988 1.00 10.00 N ATOM 717 CA LYS A 46 -1.927 2.249 -18.085 1.00 10.00 C ATOM 718 C LYS A 46 -3.167 1.921 -17.300 1.00 10.00 C ATOM 719 O LYS A 46 -4.165 1.492 -17.881 1.00 10.00 O ATOM 720 CB LYS A 46 -2.045 3.556 -18.885 1.00 10.00 C ATOM 721 CG LYS A 46 -1.955 4.882 -18.086 1.00 10.00 C ATOM 722 CD LYS A 46 -3.228 5.386 -17.387 1.00 10.00 C ATOM 723 CE LYS A 46 -3.036 6.812 -16.873 1.00 10.00 C ATOM 724 NZ LYS A 46 -2.878 7.799 -17.970 1.00 10.00 N ATOM 0 H LYS A 46 -2.660 0.731 -19.326 1.00 10.00 H new ATOM 0 HA LYS A 46 -1.074 2.407 -17.426 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -1.260 3.562 -19.641 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -2.998 3.544 -19.415 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -1.181 4.764 -17.328 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -1.617 5.662 -18.768 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -4.067 5.355 -18.082 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -3.478 4.726 -16.557 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -3.892 7.091 -16.259 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -2.157 6.847 -16.229 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -2.819 8.757 -17.569 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -2.008 7.592 -18.501 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -3.696 7.741 -18.610 1.00 10.00 H new ATOM 738 N TRP A 47 -3.073 2.126 -15.988 1.00 10.00 N ATOM 739 CA TRP A 47 -4.166 1.890 -15.066 1.00 10.00 C ATOM 740 C TRP A 47 -4.283 3.189 -14.299 1.00 10.00 C ATOM 741 O TRP A 47 -3.255 3.719 -13.876 1.00 10.00 O ATOM 742 CB TRP A 47 -3.848 0.699 -14.161 1.00 10.00 C ATOM 743 CG TRP A 47 -3.346 -0.484 -14.940 1.00 10.00 C ATOM 744 CD1 TRP A 47 -2.048 -0.854 -15.000 1.00 10.00 C ATOM 745 CD2 TRP A 47 -4.050 -1.339 -15.894 1.00 10.00 C ATOM 746 NE1 TRP A 47 -1.917 -1.962 -15.800 1.00 10.00 N ATOM 747 CE2 TRP A 47 -3.106 -2.261 -16.433 1.00 10.00 C ATOM 748 CE3 TRP A 47 -5.344 -1.374 -16.446 1.00 10.00 C ATOM 749 CZ2 TRP A 47 -3.433 -3.188 -17.430 1.00 10.00 C ATOM 750 CZ3 TRP A 47 -5.677 -2.289 -17.469 1.00 10.00 C ATOM 751 CH2 TRP A 47 -4.729 -3.203 -17.947 1.00 10.00 C ATOM 0 H TRP A 47 -2.223 2.465 -15.537 1.00 10.00 H new ATOM 0 HA TRP A 47 -5.105 1.633 -15.557 1.00 10.00 H new ATOM 0 HB2 TRP A 47 -3.099 0.993 -13.426 1.00 10.00 H new ATOM 0 HB3 TRP A 47 -4.743 0.415 -13.608 1.00 10.00 H new ATOM 0 HD1 TRP A 47 -1.235 -0.353 -14.495 1.00 10.00 H new ATOM 0 HE1 TRP A 47 -1.054 -2.494 -15.912 1.00 10.00 H new ATOM 0 HE3 TRP A 47 -6.095 -0.689 -16.081 1.00 10.00 H new ATOM 0 HZ2 TRP A 47 -2.691 -3.883 -17.795 1.00 10.00 H new ATOM 0 HZ3 TRP A 47 -6.673 -2.284 -17.887 1.00 10.00 H new ATOM 0 HH2 TRP A 47 -5.000 -3.916 -18.712 1.00 10.00 H new ATOM 762 N GLY A 48 -5.496 3.722 -14.189 1.00 10.00 N ATOM 763 CA GLY A 48 -5.685 5.041 -13.614 1.00 10.00 C ATOM 764 C GLY A 48 -6.950 5.130 -12.797 1.00 10.00 C ATOM 765 O GLY A 48 -8.010 4.651 -13.204 1.00 10.00 O ATOM 0 H GLY A 48 -6.355 3.261 -14.489 1.00 10.00 H new ATOM 0 HA2 GLY A 48 -4.830 5.287 -12.985 1.00 10.00 H new ATOM 0 HA3 GLY A 48 -5.717 5.782 -14.412 1.00 10.00 H new ATOM 769 N LEU A 49 -6.771 5.732 -11.634 1.00 10.00 N ATOM 770 CA LEU A 49 -7.771 5.868 -10.585 1.00 10.00 C ATOM 771 C LEU A 49 -7.973 7.311 -10.106 1.00 10.00 C ATOM 772 O LEU A 49 -8.858 7.519 -9.281 1.00 10.00 O ATOM 773 CB LEU A 49 -7.387 4.944 -9.416 1.00 10.00 C ATOM 774 CG LEU A 49 -7.830 3.473 -9.530 1.00 10.00 C ATOM 775 CD1 LEU A 49 -9.352 3.294 -9.569 1.00 10.00 C ATOM 776 CD2 LEU A 49 -7.202 2.641 -10.649 1.00 10.00 C ATOM 0 H LEU A 49 -5.881 6.161 -11.382 1.00 10.00 H new ATOM 0 HA LEU A 49 -8.733 5.573 -11.005 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -6.303 4.966 -9.305 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -7.810 5.358 -8.501 1.00 10.00 H new ATOM 0 HG LEU A 49 -7.429 3.072 -8.599 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -9.592 2.234 -9.650 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -9.789 3.696 -8.655 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -9.759 3.825 -10.430 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -7.600 1.627 -10.616 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -7.437 3.092 -11.613 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -6.121 2.610 -10.517 1.00 10.00 H new ATOM 788 N GLY A 50 -7.223 8.300 -10.594 1.00 10.00 N ATOM 789 CA GLY A 50 -7.436 9.683 -10.169 1.00 10.00 C ATOM 790 C GLY A 50 -6.654 10.758 -10.917 1.00 10.00 C ATOM 791 O GLY A 50 -7.257 11.783 -11.230 1.00 10.00 O ATOM 0 H GLY A 50 -6.473 8.172 -11.274 1.00 10.00 H new ATOM 0 HA2 GLY A 50 -8.498 9.908 -10.263 1.00 10.00 H new ATOM 0 HA3 GLY A 50 -7.187 9.756 -9.110 1.00 10.00 H new ATOM 795 N LEU A 51 -5.373 10.556 -11.244 1.00 10.00 N ATOM 796 CA LEU A 51 -4.498 11.526 -11.889 1.00 10.00 C ATOM 797 C LEU A 51 -3.930 10.881 -13.145 1.00 10.00 C ATOM 798 O LEU A 51 -2.841 10.318 -13.087 1.00 10.00 O ATOM 799 CB LEU A 51 -3.411 11.978 -10.888 1.00 10.00 C ATOM 800 CG LEU A 51 -3.922 12.726 -9.633 1.00 10.00 C ATOM 801 CD1 LEU A 51 -2.754 13.011 -8.688 1.00 10.00 C ATOM 802 CD2 LEU A 51 -4.619 14.047 -9.966 1.00 10.00 C ATOM 0 H LEU A 51 -4.902 9.671 -11.056 1.00 10.00 H new ATOM 0 HA LEU A 51 -5.035 12.426 -12.188 1.00 10.00 H new ATOM 0 HB2 LEU A 51 -2.855 11.099 -10.563 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -2.707 12.625 -11.412 1.00 10.00 H new ATOM 0 HG LEU A 51 -4.657 12.074 -9.161 1.00 10.00 H new ATOM 0 HD11 LEU A 51 -3.119 13.538 -7.806 1.00 10.00 H new ATOM 0 HD12 LEU A 51 -2.294 12.071 -8.384 1.00 10.00 H new ATOM 0 HD13 LEU A 51 -2.015 13.628 -9.199 1.00 10.00 H new ATOM 0 HD21 LEU A 51 -4.954 14.524 -9.045 1.00 10.00 H new ATOM 0 HD22 LEU A 51 -3.921 14.706 -10.483 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -5.478 13.853 -10.608 1.00 10.00 H new ATOM 814 N ASP A 52 -4.691 10.899 -14.241 1.00 10.00 N ATOM 815 CA ASP A 52 -4.317 10.307 -15.541 1.00 10.00 C ATOM 816 C ASP A 52 -3.008 10.851 -16.103 1.00 10.00 C ATOM 817 O ASP A 52 -2.805 12.085 -16.039 1.00 10.00 O ATOM 818 CB ASP A 52 -5.476 10.422 -16.556 1.00 10.00 C ATOM 819 CG ASP A 52 -5.290 9.417 -17.699 1.00 10.00 C ATOM 820 OD1 ASP A 52 -5.671 8.238 -17.513 1.00 10.00 O ATOM 821 OD2 ASP A 52 -4.619 9.710 -18.715 1.00 10.00 O ATOM 822 OXT ASP A 52 -2.218 10.022 -16.613 1.00 10.00 O ATOM 0 H ASP A 52 -5.612 11.337 -14.256 1.00 10.00 H new ATOM 0 HA ASP A 52 -4.133 9.249 -15.356 1.00 10.00 H new ATOM 0 HB2 ASP A 52 -6.426 10.239 -16.054 1.00 10.00 H new ATOM 0 HB3 ASP A 52 -5.517 11.435 -16.957 1.00 10.00 H new TER 827 ASP A 52 HETATM 828 ZN ZN A 53 9.971 -1.343 -19.613 1.00 10.00 ZN HETATM 829 ZN ZN A 54 7.932 8.127 -10.716 1.00 10.00 ZN