USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot -45:sc= -1.78 USER MOD Set 1.2: A 39 SER OG : rot 81:sc= 0.21 USER MOD Single : A 1 ILE N :NH3+ 171:sc= -0.735 (180deg=-1.05) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc=-0.00966 USER MOD Single : A 21 LYS NZ :NH3+ 162:sc= -0.135 (180deg=-0.63) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0338) USER MOD Single : A 31 CYS SG : rot -63:sc= -2.29 USER MOD Single : A 32 SER OG : rot -8:sc= 0.665! USER MOD Single : A 40 TYR OH : rot -65:sc= 1.24 USER MOD Single : A 41 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.2) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 83:sc= -0.176 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 10.513 -1.940 9.229 1.00 0.00 N ATOM 2 CA ILE A 1 9.301 -1.229 9.717 1.00 0.00 C ATOM 3 C ILE A 1 8.219 -1.183 8.638 1.00 0.00 C ATOM 4 O ILE A 1 8.411 -0.574 7.586 1.00 0.00 O ATOM 5 CB ILE A 1 9.623 0.215 10.165 1.00 0.00 C ATOM 6 CG1 ILE A 1 10.832 0.767 9.406 1.00 0.00 C ATOM 7 CG2 ILE A 1 9.874 0.258 11.665 1.00 0.00 C ATOM 8 CD1 ILE A 1 10.539 1.100 7.959 1.00 0.00 C ATOM 0 H1 ILE A 1 11.283 -1.826 9.918 1.00 0.00 H new ATOM 0 H2 ILE A 1 10.299 -2.951 9.113 1.00 0.00 H new ATOM 0 H3 ILE A 1 10.805 -1.541 8.314 1.00 0.00 H new ATOM 0 HA ILE A 1 8.937 -1.791 10.577 1.00 0.00 H new ATOM 0 HB ILE A 1 8.763 0.843 9.934 1.00 0.00 H new ATOM 0 HG12 ILE A 1 11.189 1.664 9.911 1.00 0.00 H new ATOM 0 HG13 ILE A 1 11.640 0.036 9.446 1.00 0.00 H new ATOM 0 HG21 ILE A 1 10.100 1.281 11.967 1.00 0.00 H new ATOM 0 HG22 ILE A 1 8.985 -0.089 12.193 1.00 0.00 H new ATOM 0 HG23 ILE A 1 10.717 -0.387 11.911 1.00 0.00 H new ATOM 0 HD11 ILE A 1 11.441 1.486 7.484 1.00 0.00 H new ATOM 0 HD12 ILE A 1 10.211 0.201 7.438 1.00 0.00 H new ATOM 0 HD13 ILE A 1 9.753 1.854 7.911 1.00 0.00 H new ATOM 22 N PRO A 2 7.064 -1.828 8.884 1.00 0.00 N ATOM 23 CA PRO A 2 5.958 -1.857 7.930 1.00 0.00 C ATOM 24 C PRO A 2 5.052 -0.636 8.058 1.00 0.00 C ATOM 25 O PRO A 2 5.403 0.345 8.714 1.00 0.00 O ATOM 26 CB PRO A 2 5.211 -3.125 8.329 1.00 0.00 C ATOM 27 CG PRO A 2 5.412 -3.232 9.802 1.00 0.00 C ATOM 28 CD PRO A 2 6.741 -2.584 10.110 1.00 0.00 C ATOM 0 HA PRO A 2 6.297 -1.845 6.894 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.153 -3.057 8.077 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.607 -3.998 7.810 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.605 -2.733 10.339 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.408 -4.275 10.118 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.673 -1.927 10.977 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.506 -3.328 10.333 1.00 0.00 H new ATOM 36 N ALA A 3 3.882 -0.703 7.431 1.00 0.00 N ATOM 37 CA ALA A 3 2.926 0.390 7.478 1.00 0.00 C ATOM 38 C ALA A 3 1.586 -0.075 8.043 1.00 0.00 C ATOM 39 O ALA A 3 1.318 -1.274 8.114 1.00 0.00 O ATOM 40 CB ALA A 3 2.741 0.998 6.094 1.00 0.00 C ATOM 0 H ALA A 3 3.575 -1.507 6.883 1.00 0.00 H new ATOM 0 HA ALA A 3 3.324 1.156 8.143 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.022 1.815 6.149 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.696 1.379 5.733 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.372 0.235 5.408 1.00 0.00 H new ATOM 46 N PHE A 4 0.746 0.877 8.445 1.00 0.00 N ATOM 47 CA PHE A 4 -0.561 0.561 9.002 1.00 0.00 C ATOM 48 C PHE A 4 -1.680 1.045 8.085 1.00 0.00 C ATOM 49 O PHE A 4 -1.837 2.244 7.865 1.00 0.00 O ATOM 50 CB PHE A 4 -0.716 1.190 10.387 1.00 0.00 C ATOM 51 CG PHE A 4 -1.193 0.230 11.440 1.00 0.00 C ATOM 52 CD1 PHE A 4 -2.114 -0.760 11.133 1.00 0.00 C ATOM 53 CD2 PHE A 4 -0.724 0.322 12.740 1.00 0.00 C ATOM 54 CE1 PHE A 4 -2.555 -1.641 12.102 1.00 0.00 C ATOM 55 CE2 PHE A 4 -1.161 -0.556 13.714 1.00 0.00 C ATOM 56 CZ PHE A 4 -2.078 -1.539 13.395 1.00 0.00 C ATOM 0 H PHE A 4 0.951 1.875 8.394 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.633 -0.523 9.091 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.243 1.606 10.696 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.418 2.021 10.322 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.491 -0.844 10.124 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.008 1.089 12.996 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.272 -2.408 11.849 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.786 -0.474 14.723 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.421 -2.226 14.154 1.00 0.00 H new ATOM 66 N VAL A 5 -2.460 0.107 7.557 1.00 0.00 N ATOM 67 CA VAL A 5 -3.565 0.443 6.664 1.00 0.00 C ATOM 68 C VAL A 5 -4.843 0.723 7.450 1.00 0.00 C ATOM 69 O VAL A 5 -5.091 0.112 8.488 1.00 0.00 O ATOM 70 CB VAL A 5 -3.828 -0.688 5.650 1.00 0.00 C ATOM 71 CG1 VAL A 5 -4.795 -0.228 4.569 1.00 0.00 C ATOM 72 CG2 VAL A 5 -2.520 -1.175 5.037 1.00 0.00 C ATOM 0 H VAL A 5 -2.348 -0.892 7.732 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.275 1.344 6.123 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.286 -1.523 6.180 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.967 -1.042 3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.741 0.061 5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.371 0.626 4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.727 -1.973 4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.029 -0.348 4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.867 -1.552 5.824 1.00 0.00 H new ATOM 82 N LYS A 6 -5.649 1.661 6.952 1.00 0.00 N ATOM 83 CA LYS A 6 -6.897 2.027 7.617 1.00 0.00 C ATOM 84 C LYS A 6 -8.118 1.475 6.880 1.00 0.00 C ATOM 85 O LYS A 6 -8.671 0.447 7.263 1.00 0.00 O ATOM 86 CB LYS A 6 -6.997 3.550 7.751 1.00 0.00 C ATOM 87 CG LYS A 6 -5.795 4.180 8.435 1.00 0.00 C ATOM 88 CD LYS A 6 -5.603 5.625 8.002 1.00 0.00 C ATOM 89 CE LYS A 6 -4.177 6.095 8.238 1.00 0.00 C ATOM 90 NZ LYS A 6 -3.790 7.188 7.305 1.00 0.00 N ATOM 0 H LYS A 6 -5.460 2.179 6.094 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.886 1.580 8.611 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.111 3.987 6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.897 3.799 8.314 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.926 4.137 9.516 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.899 3.606 8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.849 5.724 6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.293 6.265 8.552 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.075 6.443 9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.493 5.255 8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.811 7.480 7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.862 6.849 6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.426 8.000 7.439 1.00 0.00 H new ATOM 104 N PHE A 7 -8.539 2.170 5.831 1.00 0.00 N ATOM 105 CA PHE A 7 -9.701 1.760 5.050 1.00 0.00 C ATOM 106 C PHE A 7 -9.302 0.849 3.894 1.00 0.00 C ATOM 107 O PHE A 7 -8.168 0.892 3.419 1.00 0.00 O ATOM 108 CB PHE A 7 -10.437 2.991 4.519 1.00 0.00 C ATOM 109 CG PHE A 7 -11.825 3.148 5.074 1.00 0.00 C ATOM 110 CD1 PHE A 7 -12.810 2.215 4.787 1.00 0.00 C ATOM 111 CD2 PHE A 7 -12.145 4.227 5.883 1.00 0.00 C ATOM 112 CE1 PHE A 7 -14.087 2.357 5.297 1.00 0.00 C ATOM 113 CE2 PHE A 7 -13.420 4.374 6.395 1.00 0.00 C ATOM 114 CZ PHE A 7 -14.392 3.437 6.101 1.00 0.00 C ATOM 0 H PHE A 7 -8.091 3.024 5.500 1.00 0.00 H new ATOM 0 HA PHE A 7 -10.365 1.198 5.706 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.856 3.882 4.758 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -10.494 2.929 3.432 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -12.577 1.368 4.158 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -11.389 4.962 6.116 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -14.846 1.624 5.067 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -13.656 5.220 7.024 1.00 0.00 H new ATOM 0 HZ PHE A 7 -15.389 3.549 6.500 1.00 0.00 H new ATOM 124 N ALA A 8 -10.245 0.017 3.452 1.00 0.00 N ATOM 125 CA ALA A 8 -10.000 -0.914 2.361 1.00 0.00 C ATOM 126 C ALA A 8 -10.855 -0.594 1.138 1.00 0.00 C ATOM 127 O ALA A 8 -11.999 -0.157 1.263 1.00 0.00 O ATOM 128 CB ALA A 8 -10.263 -2.339 2.820 1.00 0.00 C ATOM 0 H ALA A 8 -11.188 -0.028 3.838 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.954 -0.812 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.077 -3.027 1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.601 -2.581 3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.300 -2.432 3.143 1.00 0.00 H new ATOM 134 N TYR A 9 -10.293 -0.830 -0.045 1.00 0.00 N ATOM 135 CA TYR A 9 -11.003 -0.587 -1.297 1.00 0.00 C ATOM 136 C TYR A 9 -10.800 -1.752 -2.261 1.00 0.00 C ATOM 137 O TYR A 9 -9.701 -2.297 -2.366 1.00 0.00 O ATOM 138 CB TYR A 9 -10.522 0.712 -1.944 1.00 0.00 C ATOM 139 CG TYR A 9 -11.481 1.272 -2.971 1.00 0.00 C ATOM 140 CD1 TYR A 9 -12.843 1.357 -2.706 1.00 0.00 C ATOM 141 CD2 TYR A 9 -11.024 1.714 -4.206 1.00 0.00 C ATOM 142 CE1 TYR A 9 -13.721 1.867 -3.643 1.00 0.00 C ATOM 143 CE2 TYR A 9 -11.895 2.227 -5.148 1.00 0.00 C ATOM 144 CZ TYR A 9 -13.242 2.301 -4.862 1.00 0.00 C ATOM 145 OH TYR A 9 -14.112 2.811 -5.799 1.00 0.00 O ATOM 0 H TYR A 9 -9.346 -1.190 -0.162 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.066 -0.496 -1.073 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -10.362 1.458 -1.165 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.557 0.535 -2.419 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -13.221 1.019 -1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -9.970 1.656 -4.434 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -14.777 1.926 -3.422 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -11.523 2.568 -6.103 1.00 0.00 H new ATOM 0 HH TYR A 9 -13.613 3.072 -6.601 1.00 0.00 H new ATOM 155 N VAL A 10 -11.862 -2.134 -2.961 1.00 0.00 N ATOM 156 CA VAL A 10 -11.792 -3.236 -3.908 1.00 0.00 C ATOM 157 C VAL A 10 -11.382 -2.749 -5.294 1.00 0.00 C ATOM 158 O VAL A 10 -12.160 -2.094 -5.988 1.00 0.00 O ATOM 159 CB VAL A 10 -13.139 -3.975 -4.013 1.00 0.00 C ATOM 160 CG1 VAL A 10 -13.387 -4.816 -2.770 1.00 0.00 C ATOM 161 CG2 VAL A 10 -14.277 -2.988 -4.233 1.00 0.00 C ATOM 0 H VAL A 10 -12.780 -1.696 -2.889 1.00 0.00 H new ATOM 0 HA VAL A 10 -11.037 -3.926 -3.532 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.097 -4.643 -4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.344 -5.330 -2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.589 -5.551 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.406 -4.171 -1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.220 -3.530 -4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.321 -2.291 -3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.106 -2.435 -5.156 1.00 0.00 H new ATOM 171 N ALA A 11 -10.153 -3.076 -5.693 1.00 0.00 N ATOM 172 CA ALA A 11 -9.635 -2.674 -7.000 1.00 0.00 C ATOM 173 C ALA A 11 -8.138 -2.939 -7.106 1.00 0.00 C ATOM 174 O ALA A 11 -7.326 -2.183 -6.574 1.00 0.00 O ATOM 175 CB ALA A 11 -9.922 -1.202 -7.262 1.00 0.00 C ATOM 0 H ALA A 11 -9.498 -3.618 -5.130 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.144 -3.274 -7.755 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.529 -0.923 -8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.998 -1.032 -7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.445 -0.596 -6.492 1.00 0.00 H new ATOM 181 N GLU A 12 -7.775 -4.009 -7.808 1.00 0.00 N ATOM 182 CA GLU A 12 -6.372 -4.355 -7.992 1.00 0.00 C ATOM 183 C GLU A 12 -6.060 -4.552 -9.471 1.00 0.00 C ATOM 184 O GLU A 12 -6.593 -5.453 -10.119 1.00 0.00 O ATOM 185 CB GLU A 12 -6.030 -5.625 -7.212 1.00 0.00 C ATOM 186 CG GLU A 12 -6.519 -5.605 -5.773 1.00 0.00 C ATOM 187 CD GLU A 12 -6.596 -6.992 -5.164 1.00 0.00 C ATOM 188 OE1 GLU A 12 -6.646 -7.975 -5.933 1.00 0.00 O ATOM 189 OE2 GLU A 12 -6.606 -7.093 -3.919 1.00 0.00 O ATOM 0 H GLU A 12 -8.431 -4.648 -8.257 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.764 -3.534 -7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.465 -6.484 -7.723 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.949 -5.765 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.851 -4.986 -5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.504 -5.140 -5.734 1.00 0.00 H new ATOM 196 N ARG A 13 -5.188 -3.702 -9.991 1.00 0.00 N ATOM 197 CA ARG A 13 -4.783 -3.760 -11.385 1.00 0.00 C ATOM 198 C ARG A 13 -3.425 -3.090 -11.558 1.00 0.00 C ATOM 199 O ARG A 13 -3.069 -2.196 -10.790 1.00 0.00 O ATOM 200 CB ARG A 13 -5.854 -3.097 -12.269 1.00 0.00 C ATOM 201 CG ARG A 13 -5.316 -2.324 -13.470 1.00 0.00 C ATOM 202 CD ARG A 13 -5.074 -0.862 -13.126 1.00 0.00 C ATOM 203 NE ARG A 13 -5.761 0.039 -14.048 1.00 0.00 N ATOM 204 CZ ARG A 13 -5.297 0.363 -15.253 1.00 0.00 C ATOM 205 NH1 ARG A 13 -4.150 -0.142 -15.688 1.00 0.00 N ATOM 206 NH2 ARG A 13 -5.984 1.193 -16.026 1.00 0.00 N ATOM 0 H ARG A 13 -4.743 -2.954 -9.459 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.687 -4.800 -11.695 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.534 -3.869 -12.629 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.441 -2.417 -11.652 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.385 -2.778 -13.810 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.024 -2.393 -14.296 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.414 -0.668 -12.109 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.004 -0.657 -13.149 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.649 0.444 -13.751 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.618 -0.782 -15.098 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.800 0.110 -16.612 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.867 1.583 -15.697 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.629 1.442 -16.949 1.00 0.00 H new ATOM 220 N GLU A 14 -2.676 -3.501 -12.573 1.00 0.00 N ATOM 221 CA GLU A 14 -1.374 -2.902 -12.829 1.00 0.00 C ATOM 222 C GLU A 14 -1.528 -1.393 -13.007 1.00 0.00 C ATOM 223 O GLU A 14 -2.030 -0.937 -14.033 1.00 0.00 O ATOM 224 CB GLU A 14 -0.744 -3.514 -14.079 1.00 0.00 C ATOM 225 CG GLU A 14 -1.712 -3.636 -15.246 1.00 0.00 C ATOM 226 CD GLU A 14 -1.796 -5.049 -15.791 1.00 0.00 C ATOM 227 OE1 GLU A 14 -0.886 -5.448 -16.548 1.00 0.00 O ATOM 228 OE2 GLU A 14 -2.771 -5.755 -15.461 1.00 0.00 O ATOM 0 H GLU A 14 -2.944 -4.238 -13.225 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.721 -3.099 -11.979 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.106 -2.904 -14.384 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.355 -4.503 -13.834 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.703 -3.315 -14.926 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.400 -2.961 -16.043 1.00 0.00 H new ATOM 235 N ASP A 15 -1.099 -0.638 -11.989 1.00 0.00 N ATOM 236 CA ASP A 15 -1.179 0.831 -11.978 1.00 0.00 C ATOM 237 C ASP A 15 -2.060 1.313 -10.828 1.00 0.00 C ATOM 238 O ASP A 15 -1.867 2.410 -10.304 1.00 0.00 O ATOM 239 CB ASP A 15 -1.709 1.397 -13.302 1.00 0.00 C ATOM 240 CG ASP A 15 -1.662 2.912 -13.342 1.00 0.00 C ATOM 241 OD1 ASP A 15 -2.511 3.549 -12.685 1.00 0.00 O ATOM 242 OD2 ASP A 15 -0.778 3.460 -14.032 1.00 0.00 O ATOM 0 H ASP A 15 -0.684 -1.030 -11.144 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.162 1.199 -11.841 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.120 0.996 -14.127 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.736 1.064 -13.451 1.00 0.00 H new ATOM 247 N GLU A 16 -3.021 0.482 -10.431 1.00 0.00 N ATOM 248 CA GLU A 16 -3.923 0.822 -9.332 1.00 0.00 C ATOM 249 C GLU A 16 -3.563 0.019 -8.088 1.00 0.00 C ATOM 250 O GLU A 16 -3.045 -1.093 -8.184 1.00 0.00 O ATOM 251 CB GLU A 16 -5.390 0.590 -9.726 1.00 0.00 C ATOM 252 CG GLU A 16 -5.857 -0.843 -9.595 1.00 0.00 C ATOM 253 CD GLU A 16 -7.344 -1.000 -9.855 1.00 0.00 C ATOM 254 OE1 GLU A 16 -8.037 0.029 -9.993 1.00 0.00 O ATOM 255 OE2 GLU A 16 -7.814 -2.156 -9.922 1.00 0.00 O ATOM 0 H GLU A 16 -3.195 -0.430 -10.853 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.805 1.882 -9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.024 1.223 -9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.531 0.912 -10.758 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.302 -1.467 -10.295 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.627 -1.206 -8.593 1.00 0.00 H new ATOM 262 N LEU A 17 -3.821 0.597 -6.921 1.00 0.00 N ATOM 263 CA LEU A 17 -3.499 -0.063 -5.663 1.00 0.00 C ATOM 264 C LEU A 17 -4.712 -0.128 -4.734 1.00 0.00 C ATOM 265 O LEU A 17 -5.279 0.900 -4.362 1.00 0.00 O ATOM 266 CB LEU A 17 -2.334 0.659 -4.969 1.00 0.00 C ATOM 267 CG LEU A 17 -2.111 2.120 -5.392 1.00 0.00 C ATOM 268 CD1 LEU A 17 -2.767 3.070 -4.403 1.00 0.00 C ATOM 269 CD2 LEU A 17 -0.623 2.421 -5.518 1.00 0.00 C ATOM 0 H LEU A 17 -4.250 1.517 -6.820 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.201 -1.087 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.504 0.633 -3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.418 0.100 -5.161 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.574 2.268 -6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.598 4.099 -4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.838 2.873 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.336 2.920 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.486 3.460 -5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.135 2.253 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.181 1.765 -6.268 1.00 0.00 H new ATOM 281 N SER A 18 -5.097 -1.348 -4.362 1.00 0.00 N ATOM 282 CA SER A 18 -6.236 -1.564 -3.475 1.00 0.00 C ATOM 283 C SER A 18 -5.838 -1.339 -2.018 1.00 0.00 C ATOM 284 O SER A 18 -4.702 -1.608 -1.631 1.00 0.00 O ATOM 285 CB SER A 18 -6.786 -2.981 -3.655 1.00 0.00 C ATOM 286 OG SER A 18 -6.048 -3.917 -2.888 1.00 0.00 O ATOM 0 H SER A 18 -4.633 -2.205 -4.664 1.00 0.00 H new ATOM 0 HA SER A 18 -7.013 -0.845 -3.736 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.834 -3.008 -3.357 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.747 -3.258 -4.708 1.00 0.00 H new ATOM 0 HG SER A 18 -6.420 -4.814 -3.020 1.00 0.00 H new ATOM 292 N LEU A 19 -6.777 -0.840 -1.216 1.00 0.00 N ATOM 293 CA LEU A 19 -6.514 -0.573 0.199 1.00 0.00 C ATOM 294 C LEU A 19 -6.962 -1.738 1.081 1.00 0.00 C ATOM 295 O LEU A 19 -7.890 -2.473 0.741 1.00 0.00 O ATOM 296 CB LEU A 19 -7.198 0.725 0.656 1.00 0.00 C ATOM 297 CG LEU A 19 -7.683 1.651 -0.461 1.00 0.00 C ATOM 298 CD1 LEU A 19 -8.648 2.689 0.090 1.00 0.00 C ATOM 299 CD2 LEU A 19 -6.508 2.329 -1.149 1.00 0.00 C ATOM 0 H LEU A 19 -7.724 -0.613 -1.519 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.436 -0.456 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.052 0.463 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.501 1.279 1.284 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.208 1.047 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.983 3.339 -0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.508 2.187 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.145 3.286 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.877 2.982 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.951 2.919 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.853 1.572 -1.580 1.00 0.00 H new ATOM 311 N VAL A 20 -6.283 -1.898 2.215 1.00 0.00 N ATOM 312 CA VAL A 20 -6.588 -2.973 3.163 1.00 0.00 C ATOM 313 C VAL A 20 -7.595 -2.525 4.220 1.00 0.00 C ATOM 314 O VAL A 20 -7.834 -1.333 4.396 1.00 0.00 O ATOM 315 CB VAL A 20 -5.321 -3.469 3.888 1.00 0.00 C ATOM 316 CG1 VAL A 20 -5.534 -4.872 4.433 1.00 0.00 C ATOM 317 CG2 VAL A 20 -4.106 -3.428 2.971 1.00 0.00 C ATOM 0 H VAL A 20 -5.513 -1.294 2.503 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.014 -3.783 2.571 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.129 -2.796 4.724 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.630 -5.206 4.941 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.365 -4.866 5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.760 -5.551 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.229 -3.784 3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.282 -4.067 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.936 -2.404 2.638 1.00 0.00 H new ATOM 327 N LYS A 21 -8.178 -3.492 4.925 1.00 0.00 N ATOM 328 CA LYS A 21 -9.157 -3.201 5.970 1.00 0.00 C ATOM 329 C LYS A 21 -8.479 -2.738 7.255 1.00 0.00 C ATOM 330 O LYS A 21 -8.975 -1.844 7.938 1.00 0.00 O ATOM 331 CB LYS A 21 -10.007 -4.440 6.255 1.00 0.00 C ATOM 332 CG LYS A 21 -10.805 -4.915 5.056 1.00 0.00 C ATOM 333 CD LYS A 21 -10.063 -6.000 4.290 1.00 0.00 C ATOM 334 CE LYS A 21 -9.952 -7.282 5.100 1.00 0.00 C ATOM 335 NZ LYS A 21 -11.254 -7.671 5.706 1.00 0.00 N ATOM 0 H LYS A 21 -7.989 -4.485 4.791 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.796 -2.394 5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.357 -5.247 6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.692 -4.220 7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.770 -5.297 5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.006 -4.073 4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.582 -6.205 3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.065 -5.645 4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.596 -8.087 4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.210 -7.151 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.223 -8.673 5.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.435 -7.085 6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.016 -7.527 5.013 1.00 0.00 H new ATOM 349 N GLY A 22 -7.350 -3.354 7.586 1.00 0.00 N ATOM 350 CA GLY A 22 -6.638 -2.985 8.796 1.00 0.00 C ATOM 351 C GLY A 22 -5.392 -3.815 9.020 1.00 0.00 C ATOM 352 O GLY A 22 -5.024 -4.102 10.159 1.00 0.00 O ATOM 0 H GLY A 22 -6.916 -4.099 7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.363 -1.932 8.743 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.303 -3.098 9.652 1.00 0.00 H new ATOM 356 N SER A 23 -4.744 -4.200 7.931 1.00 0.00 N ATOM 357 CA SER A 23 -3.533 -5.000 8.006 1.00 0.00 C ATOM 358 C SER A 23 -2.298 -4.137 7.768 1.00 0.00 C ATOM 359 O SER A 23 -2.402 -3.003 7.302 1.00 0.00 O ATOM 360 CB SER A 23 -3.585 -6.141 6.990 1.00 0.00 C ATOM 361 OG SER A 23 -3.541 -7.401 7.637 1.00 0.00 O ATOM 0 H SER A 23 -5.039 -3.970 6.982 1.00 0.00 H new ATOM 0 HA SER A 23 -3.467 -5.425 9.008 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.497 -6.064 6.398 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.748 -6.054 6.298 1.00 0.00 H new ATOM 0 HG SER A 23 -3.577 -8.115 6.966 1.00 0.00 H new ATOM 367 N ARG A 24 -1.130 -4.680 8.094 1.00 0.00 N ATOM 368 CA ARG A 24 0.121 -3.958 7.916 1.00 0.00 C ATOM 369 C ARG A 24 0.810 -4.371 6.621 1.00 0.00 C ATOM 370 O ARG A 24 0.671 -5.507 6.168 1.00 0.00 O ATOM 371 CB ARG A 24 1.037 -4.196 9.107 1.00 0.00 C ATOM 372 CG ARG A 24 0.548 -3.533 10.383 1.00 0.00 C ATOM 373 CD ARG A 24 1.466 -2.400 10.810 1.00 0.00 C ATOM 374 NE ARG A 24 1.452 -2.197 12.257 1.00 0.00 N ATOM 375 CZ ARG A 24 1.874 -3.102 13.137 1.00 0.00 C ATOM 376 NH1 ARG A 24 2.354 -4.269 12.724 1.00 0.00 N ATOM 377 NH2 ARG A 24 1.821 -2.837 14.435 1.00 0.00 N ATOM 0 H ARG A 24 -1.025 -5.617 8.483 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.103 -2.893 7.852 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.130 -5.269 9.276 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.033 -3.823 8.871 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.460 -3.148 10.231 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.489 -4.274 11.180 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.484 -2.616 10.485 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.161 -1.480 10.312 1.00 0.00 H new ATOM 0 HE ARG A 24 1.098 -1.309 12.614 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.401 -4.477 11.727 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.676 -4.958 13.404 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.457 -1.941 14.758 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.144 -3.530 15.111 1.00 0.00 H new ATOM 391 N VAL A 25 1.533 -3.433 6.018 1.00 0.00 N ATOM 392 CA VAL A 25 2.221 -3.693 4.758 1.00 0.00 C ATOM 393 C VAL A 25 3.731 -3.495 4.877 1.00 0.00 C ATOM 394 O VAL A 25 4.222 -2.885 5.826 1.00 0.00 O ATOM 395 CB VAL A 25 1.689 -2.774 3.639 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.105 -3.294 2.272 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.175 -2.639 3.726 1.00 0.00 C ATOM 0 H VAL A 25 1.658 -2.488 6.380 1.00 0.00 H new ATOM 0 HA VAL A 25 2.023 -4.735 4.509 1.00 0.00 H new ATOM 0 HB VAL A 25 2.127 -1.785 3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.719 -2.631 1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.193 -3.328 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.702 -4.296 2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.179 -1.987 2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.285 -3.622 3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.097 -2.212 4.691 1.00 0.00 H new ATOM 407 N THR A 26 4.454 -4.006 3.886 1.00 0.00 N ATOM 408 CA THR A 26 5.908 -3.897 3.829 1.00 0.00 C ATOM 409 C THR A 26 6.303 -2.534 3.272 1.00 0.00 C ATOM 410 O THR A 26 5.641 -2.019 2.372 1.00 0.00 O ATOM 411 CB THR A 26 6.510 -5.012 2.972 1.00 0.00 C ATOM 412 OG1 THR A 26 6.444 -4.672 1.605 1.00 0.00 O ATOM 413 CG2 THR A 26 5.823 -6.352 3.153 1.00 0.00 C ATOM 0 H THR A 26 4.047 -4.509 3.097 1.00 0.00 H new ATOM 0 HA THR A 26 6.300 -4.000 4.841 1.00 0.00 H new ATOM 0 HB THR A 26 7.542 -5.112 3.307 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.555 -4.314 1.400 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.302 -7.095 2.515 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.901 -6.663 4.195 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.772 -6.262 2.879 1.00 0.00 H new ATOM 421 N VAL A 27 7.353 -1.930 3.827 1.00 0.00 N ATOM 422 CA VAL A 27 7.779 -0.604 3.385 1.00 0.00 C ATOM 423 C VAL A 27 7.992 -0.585 1.873 1.00 0.00 C ATOM 424 O VAL A 27 9.065 -0.900 1.360 1.00 0.00 O ATOM 425 CB VAL A 27 9.076 -0.166 4.093 1.00 0.00 C ATOM 426 CG1 VAL A 27 10.198 -1.154 3.816 1.00 0.00 C ATOM 427 CG2 VAL A 27 9.475 1.239 3.665 1.00 0.00 C ATOM 0 H VAL A 27 7.918 -2.332 4.575 1.00 0.00 H new ATOM 0 HA VAL A 27 6.987 0.098 3.647 1.00 0.00 H new ATOM 0 HB VAL A 27 8.891 -0.153 5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.105 -0.827 4.325 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.913 -2.140 4.182 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.382 -1.204 2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.393 1.528 4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.639 1.258 2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.680 1.938 3.924 1.00 0.00 H new ATOM 437 N MET A 28 6.912 -0.228 1.187 1.00 0.00 N ATOM 438 CA MET A 28 6.852 -0.158 -0.271 1.00 0.00 C ATOM 439 C MET A 28 8.036 0.576 -0.893 1.00 0.00 C ATOM 440 O MET A 28 8.974 0.981 -0.207 1.00 0.00 O ATOM 441 CB MET A 28 5.555 0.526 -0.693 1.00 0.00 C ATOM 442 CG MET A 28 5.142 1.649 0.240 1.00 0.00 C ATOM 443 SD MET A 28 3.772 1.194 1.320 1.00 0.00 S ATOM 444 CE MET A 28 4.000 2.353 2.666 1.00 0.00 C ATOM 0 H MET A 28 6.033 0.027 1.638 1.00 0.00 H new ATOM 0 HA MET A 28 6.890 -1.184 -0.636 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.673 0.924 -1.701 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.757 -0.216 -0.734 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.997 1.942 0.849 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.859 2.520 -0.351 1.00 0.00 H new ATOM 0 HE1 MET A 28 3.226 2.196 3.417 1.00 0.00 H new ATOM 0 HE2 MET A 28 4.980 2.198 3.117 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.933 3.372 2.284 1.00 0.00 H new ATOM 454 N GLU A 29 7.966 0.732 -2.216 1.00 0.00 N ATOM 455 CA GLU A 29 9.008 1.405 -2.981 1.00 0.00 C ATOM 456 C GLU A 29 8.661 2.872 -3.208 1.00 0.00 C ATOM 457 O GLU A 29 7.500 3.270 -3.112 1.00 0.00 O ATOM 458 CB GLU A 29 9.192 0.707 -4.341 1.00 0.00 C ATOM 459 CG GLU A 29 8.239 1.186 -5.435 1.00 0.00 C ATOM 460 CD GLU A 29 8.596 0.628 -6.799 1.00 0.00 C ATOM 461 OE1 GLU A 29 9.287 -0.411 -6.854 1.00 0.00 O ATOM 462 OE2 GLU A 29 8.184 1.231 -7.813 1.00 0.00 O ATOM 0 H GLU A 29 7.187 0.396 -2.782 1.00 0.00 H new ATOM 0 HA GLU A 29 9.935 1.352 -2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.217 0.860 -4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.058 -0.366 -4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.221 0.892 -5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.255 2.275 -5.476 1.00 0.00 H new ATOM 469 N LYS A 30 9.672 3.663 -3.540 1.00 0.00 N ATOM 470 CA LYS A 30 9.473 5.071 -3.819 1.00 0.00 C ATOM 471 C LYS A 30 9.658 5.322 -5.310 1.00 0.00 C ATOM 472 O LYS A 30 10.781 5.478 -5.789 1.00 0.00 O ATOM 473 CB LYS A 30 10.452 5.923 -3.010 1.00 0.00 C ATOM 474 CG LYS A 30 10.078 6.049 -1.541 1.00 0.00 C ATOM 475 CD LYS A 30 11.168 6.753 -0.747 1.00 0.00 C ATOM 476 CE LYS A 30 10.593 7.844 0.143 1.00 0.00 C ATOM 477 NZ LYS A 30 9.637 7.296 1.146 1.00 0.00 N ATOM 0 H LYS A 30 10.639 3.349 -3.622 1.00 0.00 H new ATOM 0 HA LYS A 30 8.461 5.352 -3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.449 5.488 -3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.504 6.919 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.144 6.603 -1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.904 5.058 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.701 6.026 -0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.896 7.187 -1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.405 8.358 0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.086 8.586 -0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.385 8.040 1.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.778 6.964 0.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.080 6.501 1.649 1.00 0.00 H new ATOM 491 N CYS A 31 8.549 5.344 -6.040 1.00 0.00 N ATOM 492 CA CYS A 31 8.589 5.557 -7.480 1.00 0.00 C ATOM 493 C CYS A 31 8.315 7.018 -7.828 1.00 0.00 C ATOM 494 O CYS A 31 7.713 7.750 -7.043 1.00 0.00 O ATOM 495 CB CYS A 31 7.576 4.646 -8.182 1.00 0.00 C ATOM 496 SG CYS A 31 5.860 5.201 -8.059 1.00 0.00 S ATOM 0 H CYS A 31 7.612 5.217 -5.658 1.00 0.00 H new ATOM 0 HA CYS A 31 9.591 5.307 -7.830 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.845 4.568 -9.235 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.652 3.644 -7.759 1.00 0.00 H new ATOM 0 HG CYS A 31 5.490 5.194 -6.813 1.00 0.00 H new ATOM 502 N SER A 32 8.753 7.435 -9.013 1.00 0.00 N ATOM 503 CA SER A 32 8.548 8.808 -9.463 1.00 0.00 C ATOM 504 C SER A 32 7.237 8.952 -10.235 1.00 0.00 C ATOM 505 O SER A 32 6.839 10.060 -10.592 1.00 0.00 O ATOM 506 CB SER A 32 9.720 9.262 -10.334 1.00 0.00 C ATOM 507 OG SER A 32 9.420 10.475 -11.003 1.00 0.00 O ATOM 0 H SER A 32 9.251 6.843 -9.678 1.00 0.00 H new ATOM 0 HA SER A 32 8.491 9.442 -8.578 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.607 9.395 -9.715 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.955 8.488 -11.065 1.00 0.00 H new ATOM 0 HG SER A 32 8.476 10.700 -10.865 1.00 0.00 H new ATOM 513 N ASP A 33 6.567 7.831 -10.492 1.00 0.00 N ATOM 514 CA ASP A 33 5.307 7.850 -11.222 1.00 0.00 C ATOM 515 C ASP A 33 4.124 7.646 -10.279 1.00 0.00 C ATOM 516 O ASP A 33 4.299 7.413 -9.084 1.00 0.00 O ATOM 517 CB ASP A 33 5.304 6.771 -12.306 1.00 0.00 C ATOM 518 CG ASP A 33 5.853 7.280 -13.625 1.00 0.00 C ATOM 519 OD1 ASP A 33 7.013 7.741 -13.648 1.00 0.00 O ATOM 520 OD2 ASP A 33 5.121 7.217 -14.636 1.00 0.00 O ATOM 0 H ASP A 33 6.876 6.902 -10.206 1.00 0.00 H new ATOM 0 HA ASP A 33 5.206 8.828 -11.693 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.898 5.921 -11.971 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.286 6.410 -12.454 1.00 0.00 H new ATOM 525 N GLY A 34 2.920 7.740 -10.830 1.00 0.00 N ATOM 526 CA GLY A 34 1.718 7.568 -10.033 1.00 0.00 C ATOM 527 C GLY A 34 1.531 6.139 -9.555 1.00 0.00 C ATOM 528 O GLY A 34 0.904 5.901 -8.522 1.00 0.00 O ATOM 0 H GLY A 34 2.753 7.933 -11.818 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.761 8.233 -9.170 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.851 7.866 -10.622 1.00 0.00 H new ATOM 532 N TRP A 35 2.074 5.185 -10.307 1.00 0.00 N ATOM 533 CA TRP A 35 1.962 3.774 -9.950 1.00 0.00 C ATOM 534 C TRP A 35 2.982 3.409 -8.874 1.00 0.00 C ATOM 535 O TRP A 35 4.156 3.191 -9.166 1.00 0.00 O ATOM 536 CB TRP A 35 2.152 2.891 -11.190 1.00 0.00 C ATOM 537 CG TRP A 35 3.334 3.271 -12.035 1.00 0.00 C ATOM 538 CD1 TRP A 35 3.357 4.196 -13.040 1.00 0.00 C ATOM 539 CD2 TRP A 35 4.659 2.730 -11.959 1.00 0.00 C ATOM 540 NE1 TRP A 35 4.616 4.269 -13.585 1.00 0.00 N ATOM 541 CE2 TRP A 35 5.431 3.377 -12.941 1.00 0.00 C ATOM 542 CE3 TRP A 35 5.269 1.762 -11.153 1.00 0.00 C ATOM 543 CZ2 TRP A 35 6.779 3.089 -13.139 1.00 0.00 C ATOM 544 CZ3 TRP A 35 6.607 1.477 -11.352 1.00 0.00 C ATOM 545 CH2 TRP A 35 7.349 2.137 -12.337 1.00 0.00 C ATOM 0 H TRP A 35 2.595 5.363 -11.166 1.00 0.00 H new ATOM 0 HA TRP A 35 0.963 3.599 -9.550 1.00 0.00 H new ATOM 0 HB2 TRP A 35 2.264 1.855 -10.872 1.00 0.00 H new ATOM 0 HB3 TRP A 35 1.251 2.941 -11.801 1.00 0.00 H new ATOM 0 HD1 TRP A 35 2.509 4.784 -13.359 1.00 0.00 H new ATOM 0 HE1 TRP A 35 4.898 4.887 -14.346 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.705 1.247 -10.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.354 3.598 -13.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 7.088 0.732 -10.736 1.00 0.00 H new ATOM 0 HH2 TRP A 35 8.392 1.891 -12.468 1.00 0.00 H new ATOM 556 N TRP A 36 2.526 3.368 -7.624 1.00 0.00 N ATOM 557 CA TRP A 36 3.396 3.060 -6.495 1.00 0.00 C ATOM 558 C TRP A 36 3.455 1.562 -6.194 1.00 0.00 C ATOM 559 O TRP A 36 2.428 0.916 -5.977 1.00 0.00 O ATOM 560 CB TRP A 36 2.904 3.822 -5.267 1.00 0.00 C ATOM 561 CG TRP A 36 3.834 4.910 -4.836 1.00 0.00 C ATOM 562 CD1 TRP A 36 5.186 4.941 -5.011 1.00 0.00 C ATOM 563 CD2 TRP A 36 3.485 6.125 -4.164 1.00 0.00 C ATOM 564 NE1 TRP A 36 5.702 6.102 -4.485 1.00 0.00 N ATOM 565 CE2 TRP A 36 4.677 6.844 -3.958 1.00 0.00 C ATOM 566 CE3 TRP A 36 2.281 6.673 -3.713 1.00 0.00 C ATOM 567 CZ2 TRP A 36 4.698 8.084 -3.324 1.00 0.00 C ATOM 568 CZ3 TRP A 36 2.303 7.904 -3.083 1.00 0.00 C ATOM 569 CH2 TRP A 36 3.505 8.597 -2.894 1.00 0.00 C ATOM 0 H TRP A 36 1.555 3.545 -7.368 1.00 0.00 H new ATOM 0 HA TRP A 36 4.408 3.370 -6.756 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.926 4.253 -5.483 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.769 3.121 -4.443 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.766 4.167 -5.492 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.687 6.368 -4.487 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.350 6.144 -3.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 5.623 8.621 -3.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.379 8.338 -2.731 1.00 0.00 H new ATOM 0 HH2 TRP A 36 3.490 9.556 -2.398 1.00 0.00 H new ATOM 580 N ARG A 37 4.673 1.023 -6.171 1.00 0.00 N ATOM 581 CA ARG A 37 4.889 -0.397 -5.898 1.00 0.00 C ATOM 582 C ARG A 37 5.223 -0.652 -4.431 1.00 0.00 C ATOM 583 O ARG A 37 5.805 0.193 -3.751 1.00 0.00 O ATOM 584 CB ARG A 37 5.997 -0.957 -6.789 1.00 0.00 C ATOM 585 CG ARG A 37 5.663 -2.320 -7.378 1.00 0.00 C ATOM 586 CD ARG A 37 5.423 -2.243 -8.878 1.00 0.00 C ATOM 587 NE ARG A 37 6.131 -3.298 -9.602 1.00 0.00 N ATOM 588 CZ ARG A 37 5.703 -4.556 -9.683 1.00 0.00 C ATOM 589 NH1 ARG A 37 4.575 -4.920 -9.085 1.00 0.00 N ATOM 590 NH2 ARG A 37 6.403 -5.453 -10.364 1.00 0.00 N ATOM 0 H ARG A 37 5.529 1.551 -6.339 1.00 0.00 H new ATOM 0 HA ARG A 37 3.954 -0.911 -6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.191 -0.256 -7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.916 -1.035 -6.209 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.479 -3.013 -7.176 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.776 -2.720 -6.888 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.354 -2.320 -9.078 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.747 -1.270 -9.247 1.00 0.00 H new ATOM 0 HE ARG A 37 7.003 -3.056 -10.072 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.032 -4.234 -8.560 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.252 -5.885 -9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.270 -5.179 -10.826 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.074 -6.417 -10.426 1.00 0.00 H new ATOM 604 N GLY A 38 4.841 -1.832 -3.958 1.00 0.00 N ATOM 605 CA GLY A 38 5.090 -2.218 -2.582 1.00 0.00 C ATOM 606 C GLY A 38 4.883 -3.706 -2.364 1.00 0.00 C ATOM 607 O GLY A 38 4.608 -4.442 -3.311 1.00 0.00 O ATOM 0 H GLY A 38 4.356 -2.538 -4.512 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.111 -1.950 -2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.426 -1.659 -1.923 1.00 0.00 H new ATOM 611 N SER A 39 5.015 -4.155 -1.118 1.00 0.00 N ATOM 612 CA SER A 39 4.840 -5.569 -0.795 1.00 0.00 C ATOM 613 C SER A 39 3.982 -5.744 0.456 1.00 0.00 C ATOM 614 O SER A 39 4.086 -4.967 1.403 1.00 0.00 O ATOM 615 CB SER A 39 6.202 -6.243 -0.597 1.00 0.00 C ATOM 616 OG SER A 39 7.258 -5.389 -1.001 1.00 0.00 O ATOM 0 H SER A 39 5.242 -3.563 -0.319 1.00 0.00 H new ATOM 0 HA SER A 39 4.327 -6.044 -1.631 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.329 -6.512 0.452 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.240 -7.169 -1.171 1.00 0.00 H new ATOM 0 HG SER A 39 7.456 -4.751 -0.284 1.00 0.00 H new ATOM 622 N TYR A 40 3.134 -6.771 0.458 1.00 0.00 N ATOM 623 CA TYR A 40 2.270 -7.033 1.605 1.00 0.00 C ATOM 624 C TYR A 40 2.222 -8.523 1.927 1.00 0.00 C ATOM 625 O TYR A 40 2.254 -9.366 1.030 1.00 0.00 O ATOM 626 CB TYR A 40 0.849 -6.500 1.367 1.00 0.00 C ATOM 627 CG TYR A 40 0.582 -5.993 -0.037 1.00 0.00 C ATOM 628 CD1 TYR A 40 1.276 -4.905 -0.553 1.00 0.00 C ATOM 629 CD2 TYR A 40 -0.371 -6.604 -0.841 1.00 0.00 C ATOM 630 CE1 TYR A 40 1.029 -4.444 -1.833 1.00 0.00 C ATOM 631 CE2 TYR A 40 -0.623 -6.149 -2.121 1.00 0.00 C ATOM 632 CZ TYR A 40 0.079 -5.069 -2.612 1.00 0.00 C ATOM 633 OH TYR A 40 -0.169 -4.614 -3.886 1.00 0.00 O ATOM 0 H TYR A 40 3.028 -7.429 -0.314 1.00 0.00 H new ATOM 0 HA TYR A 40 2.696 -6.506 2.458 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.137 -7.294 1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.658 -5.691 2.072 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.020 -4.412 0.055 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.925 -7.449 -0.459 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.578 -3.598 -2.221 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.366 -6.637 -2.734 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.538 -3.707 -3.843 1.00 0.00 H new ATOM 643 N ASN A 41 2.143 -8.840 3.217 1.00 0.00 N ATOM 644 CA ASN A 41 2.089 -10.229 3.663 1.00 0.00 C ATOM 645 C ASN A 41 0.851 -10.928 3.114 1.00 0.00 C ATOM 646 O ASN A 41 -0.213 -10.909 3.733 1.00 0.00 O ATOM 647 CB ASN A 41 2.098 -10.308 5.186 1.00 0.00 C ATOM 648 CG ASN A 41 3.073 -9.333 5.819 1.00 0.00 C ATOM 649 OD1 ASN A 41 4.286 -9.536 5.779 1.00 0.00 O ATOM 650 ND2 ASN A 41 2.545 -8.265 6.407 1.00 0.00 N ATOM 0 H ASN A 41 2.115 -8.154 3.971 1.00 0.00 H new ATOM 0 HA ASN A 41 2.974 -10.736 3.280 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.095 -10.107 5.562 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.356 -11.322 5.491 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.151 -7.574 6.849 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.533 -8.136 6.417 1.00 0.00 H new ATOM 657 N GLY A 42 0.998 -11.537 1.943 1.00 0.00 N ATOM 658 CA GLY A 42 -0.105 -12.228 1.318 1.00 0.00 C ATOM 659 C GLY A 42 -0.149 -11.995 -0.178 1.00 0.00 C ATOM 660 O GLY A 42 -0.642 -12.834 -0.932 1.00 0.00 O ATOM 0 H GLY A 42 1.870 -11.562 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.022 -13.297 1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.041 -11.893 1.764 1.00 0.00 H new ATOM 664 N GLN A 43 0.374 -10.853 -0.602 1.00 0.00 N ATOM 665 CA GLN A 43 0.408 -10.500 -2.014 1.00 0.00 C ATOM 666 C GLN A 43 1.278 -9.270 -2.249 1.00 0.00 C ATOM 667 O GLN A 43 1.473 -8.454 -1.350 1.00 0.00 O ATOM 668 CB GLN A 43 -1.008 -10.255 -2.541 1.00 0.00 C ATOM 669 CG GLN A 43 -1.868 -9.411 -1.614 1.00 0.00 C ATOM 670 CD GLN A 43 -3.261 -9.975 -1.432 1.00 0.00 C ATOM 671 OE1 GLN A 43 -4.041 -10.055 -2.382 1.00 0.00 O ATOM 672 NE2 GLN A 43 -3.582 -10.371 -0.207 1.00 0.00 N ATOM 0 H GLN A 43 0.783 -10.152 0.016 1.00 0.00 H new ATOM 0 HA GLN A 43 0.845 -11.337 -2.559 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.945 -9.763 -3.512 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.497 -11.216 -2.702 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.381 -9.336 -0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.940 -8.399 -2.013 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.904 -10.286 0.550 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.507 -10.760 -0.023 1.00 0.00 H new ATOM 681 N ILE A 44 1.812 -9.155 -3.460 1.00 0.00 N ATOM 682 CA ILE A 44 2.672 -8.039 -3.814 1.00 0.00 C ATOM 683 C ILE A 44 2.105 -7.248 -4.991 1.00 0.00 C ATOM 684 O ILE A 44 1.289 -7.755 -5.762 1.00 0.00 O ATOM 685 CB ILE A 44 4.100 -8.542 -4.133 1.00 0.00 C ATOM 686 CG1 ILE A 44 4.875 -8.699 -2.830 1.00 0.00 C ATOM 687 CG2 ILE A 44 4.839 -7.599 -5.078 1.00 0.00 C ATOM 688 CD1 ILE A 44 4.200 -9.606 -1.820 1.00 0.00 C ATOM 0 H ILE A 44 1.662 -9.826 -4.214 1.00 0.00 H new ATOM 0 HA ILE A 44 2.719 -7.367 -2.957 1.00 0.00 H new ATOM 0 HB ILE A 44 4.020 -9.504 -4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.866 -9.094 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.017 -7.715 -2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.837 -7.990 -5.275 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.289 -7.519 -6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.920 -6.614 -4.619 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.812 -9.667 -0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.220 -9.202 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.082 -10.602 -2.247 1.00 0.00 H new ATOM 700 N GLY A 45 2.546 -6.001 -5.113 1.00 0.00 N ATOM 701 CA GLY A 45 2.081 -5.141 -6.184 1.00 0.00 C ATOM 702 C GLY A 45 2.202 -3.675 -5.821 1.00 0.00 C ATOM 703 O GLY A 45 3.264 -3.222 -5.405 1.00 0.00 O ATOM 0 H GLY A 45 3.222 -5.568 -4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.658 -5.341 -7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.041 -5.374 -6.412 1.00 0.00 H new ATOM 707 N TRP A 46 1.111 -2.933 -5.976 1.00 0.00 N ATOM 708 CA TRP A 46 1.101 -1.514 -5.660 1.00 0.00 C ATOM 709 C TRP A 46 0.492 -1.277 -4.282 1.00 0.00 C ATOM 710 O TRP A 46 -0.465 -1.948 -3.896 1.00 0.00 O ATOM 711 CB TRP A 46 0.338 -0.763 -6.748 1.00 0.00 C ATOM 712 CG TRP A 46 1.072 -0.784 -8.052 1.00 0.00 C ATOM 713 CD1 TRP A 46 1.860 0.203 -8.552 1.00 0.00 C ATOM 714 CD2 TRP A 46 1.106 -1.850 -9.007 1.00 0.00 C ATOM 715 NE1 TRP A 46 2.394 -0.179 -9.755 1.00 0.00 N ATOM 716 CE2 TRP A 46 1.941 -1.436 -10.062 1.00 0.00 C ATOM 717 CE3 TRP A 46 0.513 -3.114 -9.073 1.00 0.00 C ATOM 718 CZ2 TRP A 46 2.198 -2.240 -11.169 1.00 0.00 C ATOM 719 CZ3 TRP A 46 0.768 -3.912 -10.173 1.00 0.00 C ATOM 720 CH2 TRP A 46 1.603 -3.472 -11.208 1.00 0.00 C ATOM 0 H TRP A 46 0.221 -3.294 -6.320 1.00 0.00 H new ATOM 0 HA TRP A 46 2.123 -1.137 -5.630 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.647 -1.211 -6.877 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.180 0.269 -6.436 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.040 1.153 -8.070 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.025 0.381 -10.328 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.132 -3.461 -8.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 2.843 -1.904 -11.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 0.316 -4.891 -10.235 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.781 -4.118 -12.055 1.00 0.00 H new ATOM 731 N PHE A 47 1.073 -0.344 -3.525 1.00 0.00 N ATOM 732 CA PHE A 47 0.590 -0.065 -2.172 1.00 0.00 C ATOM 733 C PHE A 47 -0.457 1.046 -2.141 1.00 0.00 C ATOM 734 O PHE A 47 -0.369 2.023 -2.882 1.00 0.00 O ATOM 735 CB PHE A 47 1.753 0.270 -1.232 1.00 0.00 C ATOM 736 CG PHE A 47 2.457 1.563 -1.535 1.00 0.00 C ATOM 737 CD1 PHE A 47 3.493 1.601 -2.450 1.00 0.00 C ATOM 738 CD2 PHE A 47 2.103 2.733 -0.881 1.00 0.00 C ATOM 739 CE1 PHE A 47 4.163 2.781 -2.713 1.00 0.00 C ATOM 740 CE2 PHE A 47 2.771 3.915 -1.137 1.00 0.00 C ATOM 741 CZ PHE A 47 3.802 3.938 -2.054 1.00 0.00 C ATOM 0 H PHE A 47 1.867 0.224 -3.820 1.00 0.00 H new ATOM 0 HA PHE A 47 0.104 -0.976 -1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.376 0.309 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.480 -0.541 -1.273 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.782 0.697 -2.966 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.296 2.720 -0.163 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.968 2.797 -3.433 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.487 4.820 -0.620 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.326 4.861 -2.256 1.00 0.00 H new ATOM 751 N PRO A 48 -1.478 0.890 -1.276 1.00 0.00 N ATOM 752 CA PRO A 48 -2.573 1.850 -1.135 1.00 0.00 C ATOM 753 C PRO A 48 -2.323 2.905 -0.062 1.00 0.00 C ATOM 754 O PRO A 48 -3.104 3.035 0.877 1.00 0.00 O ATOM 755 CB PRO A 48 -3.716 0.943 -0.707 1.00 0.00 C ATOM 756 CG PRO A 48 -3.060 -0.075 0.167 1.00 0.00 C ATOM 757 CD PRO A 48 -1.662 -0.260 -0.368 1.00 0.00 C ATOM 0 HA PRO A 48 -2.738 2.425 -2.046 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.485 1.497 -0.168 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -4.201 0.479 -1.566 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.038 0.260 1.204 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.611 -1.016 0.148 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.923 -0.259 0.434 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.558 -1.208 -0.896 1.00 0.00 H new ATOM 765 N SER A 49 -1.243 3.665 -0.209 1.00 0.00 N ATOM 766 CA SER A 49 -0.903 4.711 0.757 1.00 0.00 C ATOM 767 C SER A 49 -2.094 5.625 1.057 1.00 0.00 C ATOM 768 O SER A 49 -2.110 6.314 2.085 1.00 0.00 O ATOM 769 CB SER A 49 0.267 5.544 0.242 1.00 0.00 C ATOM 770 OG SER A 49 1.370 5.474 1.130 1.00 0.00 O ATOM 0 H SER A 49 -0.587 3.579 -0.985 1.00 0.00 H new ATOM 0 HA SER A 49 -0.621 4.215 1.686 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.566 5.187 -0.744 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.045 6.582 0.125 1.00 0.00 H new ATOM 0 HG SER A 49 1.884 4.659 0.950 1.00 0.00 H new ATOM 776 N ASN A 50 -3.089 5.629 0.162 1.00 0.00 N ATOM 777 CA ASN A 50 -4.274 6.464 0.317 1.00 0.00 C ATOM 778 C ASN A 50 -4.789 6.449 1.751 1.00 0.00 C ATOM 779 O ASN A 50 -5.375 7.426 2.218 1.00 0.00 O ATOM 780 CB ASN A 50 -5.359 5.981 -0.634 1.00 0.00 C ATOM 781 CG ASN A 50 -5.381 6.764 -1.926 1.00 0.00 C ATOM 782 OD1 ASN A 50 -4.727 6.396 -2.902 1.00 0.00 O ATOM 783 ND2 ASN A 50 -6.134 7.853 -1.936 1.00 0.00 N ATOM 0 H ASN A 50 -3.091 5.056 -0.682 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.002 7.492 0.077 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.202 4.925 -0.855 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.330 6.063 -0.145 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.190 8.427 -2.777 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.658 8.118 -1.102 1.00 0.00 H new ATOM 790 N TYR A 51 -4.535 5.358 2.459 1.00 0.00 N ATOM 791 CA TYR A 51 -4.940 5.253 3.848 1.00 0.00 C ATOM 792 C TYR A 51 -4.036 4.270 4.579 1.00 0.00 C ATOM 793 O TYR A 51 -4.480 3.219 5.040 1.00 0.00 O ATOM 794 CB TYR A 51 -6.398 4.801 3.944 1.00 0.00 C ATOM 795 CG TYR A 51 -7.394 5.930 3.805 1.00 0.00 C ATOM 796 CD1 TYR A 51 -7.691 6.758 4.880 1.00 0.00 C ATOM 797 CD2 TYR A 51 -8.041 6.167 2.598 1.00 0.00 C ATOM 798 CE1 TYR A 51 -8.602 7.790 4.758 1.00 0.00 C ATOM 799 CE2 TYR A 51 -8.953 7.198 2.467 1.00 0.00 C ATOM 800 CZ TYR A 51 -9.229 8.006 3.550 1.00 0.00 C ATOM 801 OH TYR A 51 -10.137 9.033 3.423 1.00 0.00 O ATOM 0 H TYR A 51 -4.052 4.537 2.094 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.849 6.233 4.316 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.591 4.060 3.168 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.554 4.307 4.903 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.201 6.592 5.828 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.828 5.535 1.748 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.821 8.424 5.605 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.446 7.370 1.522 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.487 9.049 2.508 1.00 0.00 H new ATOM 811 N VAL A 52 -2.762 4.632 4.684 1.00 0.00 N ATOM 812 CA VAL A 52 -1.787 3.795 5.365 1.00 0.00 C ATOM 813 C VAL A 52 -0.850 4.625 6.239 1.00 0.00 C ATOM 814 O VAL A 52 -0.744 5.840 6.071 1.00 0.00 O ATOM 815 CB VAL A 52 -0.958 2.961 4.361 1.00 0.00 C ATOM 816 CG1 VAL A 52 -1.809 2.598 3.160 1.00 0.00 C ATOM 817 CG2 VAL A 52 0.295 3.707 3.915 1.00 0.00 C ATOM 0 H VAL A 52 -2.383 5.500 4.305 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.349 3.115 6.005 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.639 2.048 4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.217 2.011 2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.669 2.014 3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.154 3.508 2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.853 3.091 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.010 4.642 3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.919 3.922 4.783 1.00 0.00 H new ATOM 827 N LEU A 53 -0.156 3.958 7.157 1.00 0.00 N ATOM 828 CA LEU A 53 0.785 4.630 8.036 1.00 0.00 C ATOM 829 C LEU A 53 2.201 4.168 7.723 1.00 0.00 C ATOM 830 O LEU A 53 2.518 2.995 7.878 1.00 0.00 O ATOM 831 CB LEU A 53 0.450 4.312 9.492 1.00 0.00 C ATOM 832 CG LEU A 53 -0.062 5.483 10.331 1.00 0.00 C ATOM 833 CD1 LEU A 53 0.672 6.772 9.983 1.00 0.00 C ATOM 834 CD2 LEU A 53 -1.561 5.641 10.138 1.00 0.00 C ATOM 0 H LEU A 53 -0.230 2.952 7.308 1.00 0.00 H new ATOM 0 HA LEU A 53 0.715 5.706 7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.302 3.523 9.508 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.343 3.910 9.971 1.00 0.00 H new ATOM 0 HG LEU A 53 0.135 5.269 11.381 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.286 7.587 10.596 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.738 6.647 10.175 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.518 7.006 8.930 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.919 6.477 10.739 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.774 5.832 9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.066 4.727 10.450 1.00 0.00 H new ATOM 846 N GLU A 54 3.046 5.085 7.283 1.00 0.00 N ATOM 847 CA GLU A 54 4.422 4.744 6.947 1.00 0.00 C ATOM 848 C GLU A 54 5.410 5.254 7.990 1.00 0.00 C ATOM 849 O GLU A 54 5.316 6.394 8.445 1.00 0.00 O ATOM 850 CB GLU A 54 4.778 5.297 5.572 1.00 0.00 C ATOM 851 CG GLU A 54 6.136 4.843 5.070 1.00 0.00 C ATOM 852 CD GLU A 54 7.086 5.999 4.824 1.00 0.00 C ATOM 853 OE1 GLU A 54 6.968 7.025 5.526 1.00 0.00 O ATOM 854 OE2 GLU A 54 7.948 5.878 3.928 1.00 0.00 O ATOM 0 H GLU A 54 2.807 6.068 7.150 1.00 0.00 H new ATOM 0 HA GLU A 54 4.495 3.657 6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.014 4.991 4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.759 6.386 5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.579 4.163 5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.007 4.281 4.145 1.00 0.00 H new ATOM 861 N GLU A 55 6.364 4.403 8.351 1.00 0.00 N ATOM 862 CA GLU A 55 7.383 4.757 9.323 1.00 0.00 C ATOM 863 C GLU A 55 8.766 4.705 8.680 1.00 0.00 C ATOM 864 O GLU A 55 9.222 3.643 8.256 1.00 0.00 O ATOM 865 CB GLU A 55 7.327 3.808 10.521 1.00 0.00 C ATOM 866 CG GLU A 55 5.932 3.327 10.850 1.00 0.00 C ATOM 867 CD GLU A 55 5.645 3.331 12.339 1.00 0.00 C ATOM 868 OE1 GLU A 55 6.511 2.871 13.111 1.00 0.00 O ATOM 869 OE2 GLU A 55 4.553 3.794 12.732 1.00 0.00 O ATOM 0 H GLU A 55 6.450 3.457 7.980 1.00 0.00 H new ATOM 0 HA GLU A 55 7.193 5.773 9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.961 2.945 10.320 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.743 4.313 11.393 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.205 3.961 10.343 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.800 2.317 10.462 1.00 0.00 H new ATOM 876 N VAL A 56 9.426 5.854 8.605 1.00 0.00 N ATOM 877 CA VAL A 56 10.750 5.932 8.006 1.00 0.00 C ATOM 878 C VAL A 56 11.842 5.901 9.069 1.00 0.00 C ATOM 879 O VAL A 56 12.460 6.923 9.371 1.00 0.00 O ATOM 880 CB VAL A 56 10.912 7.205 7.149 1.00 0.00 C ATOM 881 CG1 VAL A 56 12.116 7.078 6.228 1.00 0.00 C ATOM 882 CG2 VAL A 56 9.647 7.480 6.348 1.00 0.00 C ATOM 0 H VAL A 56 9.066 6.743 8.951 1.00 0.00 H new ATOM 0 HA VAL A 56 10.853 5.059 7.362 1.00 0.00 H new ATOM 0 HB VAL A 56 11.080 8.049 7.818 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.215 7.985 5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.017 6.936 6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.980 6.222 5.567 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.783 8.382 5.751 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.443 6.636 5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.808 7.619 7.030 1.00 0.00 H new ATOM 892 N ASP A 57 12.076 4.721 9.635 1.00 0.00 N ATOM 893 CA ASP A 57 13.093 4.556 10.664 1.00 0.00 C ATOM 894 C ASP A 57 14.488 4.780 10.089 1.00 0.00 C ATOM 895 O ASP A 57 15.100 5.820 10.411 1.00 0.00 O ATOM 896 CB ASP A 57 13.002 3.159 11.283 1.00 0.00 C ATOM 897 CG ASP A 57 13.568 3.113 12.688 1.00 0.00 C ATOM 898 OD1 ASP A 57 13.085 3.877 13.548 1.00 0.00 O ATOM 899 OD2 ASP A 57 14.496 2.311 12.927 1.00 0.00 O ATOM 900 OXT ASP A 57 14.958 3.914 9.323 1.00 0.00 O ATOM 0 H ASP A 57 11.574 3.865 9.397 1.00 0.00 H new ATOM 0 HA ASP A 57 12.914 5.301 11.439 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.960 2.840 11.303 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.540 2.450 10.654 1.00 0.00 H new