USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 494 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 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 50 TYR OH : rot 165:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.0303 (180deg=0) USER MOD Single : A 6 SER OG : rot 13:sc= 1.01 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -125:sc= -3.45 (180deg=-8.45!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 110:sc= -1.43 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -4.22! C(o=-4.2!,f=-9.6!) USER MOD Single : A 32 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.17) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0552 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -162:sc= 0.917 (180deg=0.283) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.25 K(o=-0.25,f=-1.8!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.018 -0.024 -8.582 1.00 22.34 N ATOM 2 CA MET A 1 -0.441 -1.212 -7.963 1.00 63.33 C ATOM 3 C MET A 1 0.775 -1.697 -8.747 1.00 74.24 C ATOM 4 O MET A 1 0.781 -1.674 -9.978 1.00 75.13 O ATOM 5 CB MET A 1 -1.485 -2.327 -7.877 1.00 62.14 C ATOM 6 CG MET A 1 -2.464 -2.155 -6.727 1.00 61.44 C ATOM 7 SD MET A 1 -4.043 -1.465 -7.257 1.00 11.11 S ATOM 8 CE MET A 1 -4.991 -2.959 -7.531 1.00 34.52 C ATOM 0 H1 MET A 1 -2.052 -0.043 -8.473 1.00 22.34 H new ATOM 0 H2 MET A 1 -0.637 0.827 -8.122 1.00 22.34 H new ATOM 0 H3 MET A 1 -0.777 -0.008 -9.594 1.00 22.34 H new ATOM 0 HA MET A 1 -0.120 -0.947 -6.956 1.00 63.33 H new ATOM 0 HB2 MET A 1 -2.041 -2.366 -8.814 1.00 62.14 H new ATOM 0 HB3 MET A 1 -0.975 -3.284 -7.769 1.00 62.14 H new ATOM 0 HG2 MET A 1 -2.635 -3.121 -6.253 1.00 61.44 H new ATOM 0 HG3 MET A 1 -2.022 -1.504 -5.973 1.00 61.44 H new ATOM 0 HE1 MET A 1 -5.995 -2.697 -7.864 1.00 34.52 H new ATOM 0 HE2 MET A 1 -4.502 -3.565 -8.294 1.00 34.52 H new ATOM 0 HE3 MET A 1 -5.053 -3.526 -6.602 1.00 34.52 H new ATOM 18 N ASP A 2 1.801 -2.135 -8.027 1.00 63.32 N ATOM 19 CA ASP A 2 3.022 -2.627 -8.656 1.00 0.51 C ATOM 20 C ASP A 2 3.850 -3.445 -7.670 1.00 34.21 C ATOM 21 O ASP A 2 3.410 -3.719 -6.553 1.00 12.53 O ATOM 22 CB ASP A 2 3.852 -1.458 -9.190 1.00 73.03 C ATOM 23 CG ASP A 2 4.049 -1.527 -10.692 1.00 15.21 C ATOM 24 OD1 ASP A 2 4.109 -2.651 -11.232 1.00 33.40 O ATOM 25 OD2 ASP A 2 4.142 -0.456 -11.327 1.00 55.13 O ATOM 0 H ASP A 2 1.812 -2.160 -7.007 1.00 63.32 H new ATOM 0 HA ASP A 2 2.738 -3.272 -9.488 1.00 0.51 H new ATOM 0 HB2 ASP A 2 3.360 -0.520 -8.934 1.00 73.03 H new ATOM 0 HB3 ASP A 2 4.825 -1.452 -8.699 1.00 73.03 H new ATOM 30 N ILE A 3 5.048 -3.834 -8.091 1.00 42.13 N ATOM 31 CA ILE A 3 5.937 -4.621 -7.245 1.00 75.23 C ATOM 32 C ILE A 3 7.018 -3.747 -6.620 1.00 0.30 C ATOM 33 O ILE A 3 7.268 -2.630 -7.075 1.00 21.40 O ATOM 34 CB ILE A 3 6.607 -5.759 -8.038 1.00 13.02 C ATOM 35 CG1 ILE A 3 5.641 -6.318 -9.085 1.00 22.22 C ATOM 36 CG2 ILE A 3 7.070 -6.860 -7.095 1.00 51.41 C ATOM 37 CD1 ILE A 3 6.238 -7.423 -9.928 1.00 42.45 C ATOM 0 H ILE A 3 5.426 -3.617 -9.013 1.00 42.13 H new ATOM 0 HA ILE A 3 5.321 -5.052 -6.456 1.00 75.23 H new ATOM 0 HB ILE A 3 7.480 -5.358 -8.554 1.00 13.02 H new ATOM 0 HG12 ILE A 3 4.751 -6.696 -8.582 1.00 22.22 H new ATOM 0 HG13 ILE A 3 5.317 -5.508 -9.738 1.00 22.22 H new ATOM 0 HG21 ILE A 3 7.541 -7.657 -7.670 1.00 51.41 H new ATOM 0 HG22 ILE A 3 7.788 -6.452 -6.384 1.00 51.41 H new ATOM 0 HG23 ILE A 3 6.212 -7.261 -6.555 1.00 51.41 H new ATOM 0 HD11 ILE A 3 5.498 -7.772 -10.648 1.00 42.45 H new ATOM 0 HD12 ILE A 3 7.111 -7.044 -10.459 1.00 42.45 H new ATOM 0 HD13 ILE A 3 6.536 -8.251 -9.285 1.00 42.45 H new ATOM 49 N ASP A 4 7.657 -4.262 -5.576 1.00 24.21 N ATOM 50 CA ASP A 4 8.715 -3.530 -4.889 1.00 40.31 C ATOM 51 C ASP A 4 10.055 -3.723 -5.593 1.00 12.15 C ATOM 52 O ASP A 4 11.052 -3.094 -5.236 1.00 35.55 O ATOM 53 CB ASP A 4 8.819 -3.987 -3.433 1.00 53.22 C ATOM 54 CG ASP A 4 7.592 -3.619 -2.622 1.00 50.51 C ATOM 55 OD1 ASP A 4 6.703 -4.481 -2.466 1.00 35.52 O ATOM 56 OD2 ASP A 4 7.522 -2.468 -2.143 1.00 13.23 O ATOM 0 H ASP A 4 7.461 -5.184 -5.186 1.00 24.21 H new ATOM 0 HA ASP A 4 8.463 -2.470 -4.911 1.00 40.31 H new ATOM 0 HB2 ASP A 4 8.960 -5.067 -3.403 1.00 53.22 H new ATOM 0 HB3 ASP A 4 9.701 -3.538 -2.976 1.00 53.22 H new ATOM 61 N PHE A 5 10.071 -4.597 -6.593 1.00 62.03 N ATOM 62 CA PHE A 5 11.289 -4.875 -7.346 1.00 1.12 C ATOM 63 C PHE A 5 11.443 -3.901 -8.510 1.00 40.03 C ATOM 64 O PHE A 5 12.503 -3.304 -8.699 1.00 21.34 O ATOM 65 CB PHE A 5 11.275 -6.313 -7.868 1.00 35.25 C ATOM 66 CG PHE A 5 12.590 -6.756 -8.443 1.00 13.44 C ATOM 67 CD1 PHE A 5 12.839 -6.646 -9.801 1.00 51.51 C ATOM 68 CD2 PHE A 5 13.576 -7.282 -7.625 1.00 5.03 C ATOM 69 CE1 PHE A 5 14.048 -7.051 -10.334 1.00 22.35 C ATOM 70 CE2 PHE A 5 14.788 -7.689 -8.151 1.00 53.03 C ATOM 71 CZ PHE A 5 15.023 -7.575 -9.507 1.00 45.35 C ATOM 0 H PHE A 5 9.255 -5.125 -6.901 1.00 62.03 H new ATOM 0 HA PHE A 5 12.138 -4.748 -6.674 1.00 1.12 H new ATOM 0 HB2 PHE A 5 10.999 -6.984 -7.054 1.00 35.25 H new ATOM 0 HB3 PHE A 5 10.504 -6.406 -8.633 1.00 35.25 H new ATOM 0 HD1 PHE A 5 12.079 -6.239 -10.451 1.00 51.51 H new ATOM 0 HD2 PHE A 5 13.396 -7.375 -6.564 1.00 5.03 H new ATOM 0 HE1 PHE A 5 14.230 -6.958 -11.394 1.00 22.35 H new ATOM 0 HE2 PHE A 5 15.550 -8.095 -7.502 1.00 53.03 H new ATOM 0 HZ PHE A 5 15.968 -7.895 -9.921 1.00 45.35 H new ATOM 81 N SER A 6 10.377 -3.746 -9.289 1.00 62.34 N ATOM 82 CA SER A 6 10.394 -2.849 -10.438 1.00 41.35 C ATOM 83 C SER A 6 9.972 -1.440 -10.033 1.00 44.44 C ATOM 84 O SER A 6 8.808 -1.194 -9.715 1.00 4.12 O ATOM 85 CB SER A 6 9.468 -3.375 -11.537 1.00 10.42 C ATOM 86 OG SER A 6 8.107 -3.216 -11.175 1.00 51.15 O ATOM 0 H SER A 6 9.491 -4.230 -9.145 1.00 62.34 H new ATOM 0 HA SER A 6 11.414 -2.809 -10.821 1.00 41.35 H new ATOM 0 HB2 SER A 6 9.665 -2.843 -12.468 1.00 10.42 H new ATOM 0 HB3 SER A 6 9.678 -4.429 -11.721 1.00 10.42 H new ATOM 0 HG SER A 6 8.043 -2.627 -10.394 1.00 51.15 H new ATOM 92 N THR A 7 10.928 -0.515 -10.048 1.00 20.43 N ATOM 93 CA THR A 7 10.658 0.869 -9.681 1.00 50.02 C ATOM 94 C THR A 7 11.604 1.823 -10.402 1.00 14.12 C ATOM 95 O THR A 7 11.769 2.974 -9.996 1.00 71.03 O ATOM 96 CB THR A 7 10.790 1.084 -8.162 1.00 31.24 C ATOM 97 OG1 THR A 7 11.644 0.082 -7.598 1.00 11.34 O ATOM 98 CG2 THR A 7 9.427 1.034 -7.488 1.00 21.34 C ATOM 0 H THR A 7 11.896 -0.700 -10.311 1.00 20.43 H new ATOM 0 HA THR A 7 9.632 1.081 -9.982 1.00 50.02 H new ATOM 0 HB THR A 7 11.225 2.069 -7.993 1.00 31.24 H new ATOM 0 HG1 THR A 7 11.724 0.227 -6.632 1.00 11.34 H new ATOM 0 HG21 THR A 7 9.546 1.188 -6.416 1.00 21.34 H new ATOM 0 HG22 THR A 7 8.789 1.816 -7.899 1.00 21.34 H new ATOM 0 HG23 THR A 7 8.969 0.061 -7.666 1.00 21.34 H new ATOM 106 N CYS A 8 12.222 1.338 -11.473 1.00 43.53 N ATOM 107 CA CYS A 8 13.152 2.148 -12.252 1.00 11.04 C ATOM 108 C CYS A 8 12.918 1.957 -13.748 1.00 4.45 C ATOM 109 O CYS A 8 12.354 0.951 -14.175 1.00 32.13 O ATOM 110 CB CYS A 8 14.596 1.785 -11.899 1.00 72.23 C ATOM 111 SG CYS A 8 15.804 3.097 -12.270 1.00 21.31 S ATOM 0 H CYS A 8 12.096 0.388 -11.822 1.00 43.53 H new ATOM 0 HA CYS A 8 12.978 3.195 -12.006 1.00 11.04 H new ATOM 0 HB2 CYS A 8 14.650 1.546 -10.837 1.00 72.23 H new ATOM 0 HB3 CYS A 8 14.876 0.883 -12.443 1.00 72.23 H new ATOM 116 N ALA A 9 13.358 2.931 -14.538 1.00 55.31 N ATOM 117 CA ALA A 9 13.199 2.870 -15.986 1.00 12.12 C ATOM 118 C ALA A 9 14.110 1.809 -16.594 1.00 32.15 C ATOM 119 O ALA A 9 13.994 1.480 -17.774 1.00 53.12 O ATOM 120 CB ALA A 9 13.483 4.230 -16.606 1.00 11.33 C ATOM 0 H ALA A 9 13.827 3.771 -14.200 1.00 55.31 H new ATOM 0 HA ALA A 9 12.167 2.593 -16.202 1.00 12.12 H new ATOM 0 HB1 ALA A 9 13.361 4.170 -17.687 1.00 11.33 H new ATOM 0 HB2 ALA A 9 12.788 4.966 -16.203 1.00 11.33 H new ATOM 0 HB3 ALA A 9 14.505 4.530 -16.373 1.00 11.33 H new ATOM 126 N ARG A 10 15.016 1.277 -15.780 1.00 1.22 N ATOM 127 CA ARG A 10 15.948 0.254 -16.239 1.00 2.44 C ATOM 128 C ARG A 10 15.373 -1.142 -16.021 1.00 23.21 C ATOM 129 O ARG A 10 16.114 -2.119 -15.911 1.00 50.23 O ATOM 130 CB ARG A 10 17.285 0.387 -15.507 1.00 11.15 C ATOM 131 CG ARG A 10 17.849 1.798 -15.520 1.00 1.43 C ATOM 132 CD ARG A 10 18.159 2.261 -16.935 1.00 13.43 C ATOM 133 NE ARG A 10 19.467 2.904 -17.026 1.00 61.45 N ATOM 134 CZ ARG A 10 19.702 4.152 -16.637 1.00 60.31 C ATOM 135 NH1 ARG A 10 18.722 4.888 -16.132 1.00 32.32 N ATOM 136 NH2 ARG A 10 20.920 4.666 -16.752 1.00 72.14 N ATOM 0 H ARG A 10 15.124 1.537 -14.800 1.00 1.22 H new ATOM 0 HA ARG A 10 16.110 0.398 -17.307 1.00 2.44 H new ATOM 0 HB2 ARG A 10 17.157 0.066 -14.473 1.00 11.15 H new ATOM 0 HB3 ARG A 10 18.008 -0.288 -15.964 1.00 11.15 H new ATOM 0 HG2 ARG A 10 17.134 2.481 -15.061 1.00 1.43 H new ATOM 0 HG3 ARG A 10 18.756 1.834 -14.917 1.00 1.43 H new ATOM 0 HD2 ARG A 10 18.127 1.407 -17.611 1.00 13.43 H new ATOM 0 HD3 ARG A 10 17.389 2.958 -17.265 1.00 13.43 H new ATOM 0 HE ARG A 10 20.243 2.365 -17.410 1.00 61.45 H new ATOM 0 HH11 ARG A 10 17.785 4.496 -16.041 1.00 32.32 H new ATOM 0 HH12 ARG A 10 18.905 5.846 -15.834 1.00 32.32 H new ATOM 0 HH21 ARG A 10 21.677 4.103 -17.139 1.00 72.14 H new ATOM 0 HH22 ARG A 10 21.099 5.625 -16.453 1.00 72.14 H new ATOM 150 N MET A 11 14.048 -1.228 -15.959 1.00 5.03 N ATOM 151 CA MET A 11 13.375 -2.505 -15.755 1.00 35.03 C ATOM 152 C MET A 11 12.923 -3.100 -17.085 1.00 21.13 C ATOM 153 O MET A 11 13.210 -2.553 -18.150 1.00 14.45 O ATOM 154 CB MET A 11 12.171 -2.328 -14.827 1.00 30.41 C ATOM 155 CG MET A 11 12.383 -2.910 -13.439 1.00 21.23 C ATOM 156 SD MET A 11 12.313 -4.712 -13.423 1.00 11.14 S ATOM 157 CE MET A 11 10.650 -4.991 -14.028 1.00 24.34 C ATOM 0 H MET A 11 13.420 -0.429 -16.047 1.00 5.03 H new ATOM 0 HA MET A 11 14.084 -3.192 -15.292 1.00 35.03 H new ATOM 0 HB2 MET A 11 11.946 -1.265 -14.736 1.00 30.41 H new ATOM 0 HB3 MET A 11 11.300 -2.801 -15.281 1.00 30.41 H new ATOM 0 HG2 MET A 11 13.350 -2.584 -13.057 1.00 21.23 H new ATOM 0 HG3 MET A 11 11.624 -2.515 -12.764 1.00 21.23 H new ATOM 0 HE1 MET A 11 10.104 -5.611 -13.318 1.00 24.34 H new ATOM 0 HE2 MET A 11 10.139 -4.035 -14.143 1.00 24.34 H new ATOM 0 HE3 MET A 11 10.694 -5.497 -14.993 1.00 24.34 H new ATOM 167 N ASP A 12 12.217 -4.223 -17.016 1.00 14.02 N ATOM 168 CA ASP A 12 11.725 -4.892 -18.215 1.00 10.31 C ATOM 169 C ASP A 12 10.652 -4.054 -18.903 1.00 42.33 C ATOM 170 O ASP A 12 10.342 -4.265 -20.076 1.00 34.24 O ATOM 171 CB ASP A 12 11.165 -6.270 -17.862 1.00 75.42 C ATOM 172 CG ASP A 12 11.660 -7.354 -18.800 1.00 11.11 C ATOM 173 OD1 ASP A 12 11.326 -7.297 -20.002 1.00 42.42 O ATOM 174 OD2 ASP A 12 12.382 -8.259 -18.332 1.00 12.44 O ATOM 0 H ASP A 12 11.972 -4.689 -16.142 1.00 14.02 H new ATOM 0 HA ASP A 12 12.562 -5.014 -18.903 1.00 10.31 H new ATOM 0 HB2 ASP A 12 11.446 -6.522 -16.840 1.00 75.42 H new ATOM 0 HB3 ASP A 12 10.076 -6.235 -17.894 1.00 75.42 H new ATOM 179 N VAL A 13 10.088 -3.102 -18.166 1.00 43.03 N ATOM 180 CA VAL A 13 9.050 -2.232 -18.705 1.00 41.24 C ATOM 181 C VAL A 13 9.548 -0.797 -18.835 1.00 44.13 C ATOM 182 O VAL A 13 9.240 0.070 -18.017 1.00 45.01 O ATOM 183 CB VAL A 13 7.789 -2.248 -17.821 1.00 2.42 C ATOM 184 CG1 VAL A 13 6.980 -3.512 -18.067 1.00 22.14 C ATOM 185 CG2 VAL A 13 8.167 -2.124 -16.353 1.00 4.24 C ATOM 0 H VAL A 13 10.333 -2.914 -17.194 1.00 43.03 H new ATOM 0 HA VAL A 13 8.797 -2.616 -19.693 1.00 41.24 H new ATOM 0 HB VAL A 13 7.169 -1.392 -18.087 1.00 2.42 H new ATOM 0 HG11 VAL A 13 6.093 -3.505 -17.434 1.00 22.14 H new ATOM 0 HG12 VAL A 13 6.678 -3.553 -19.114 1.00 22.14 H new ATOM 0 HG13 VAL A 13 7.588 -4.385 -17.830 1.00 22.14 H new ATOM 0 HG21 VAL A 13 7.264 -2.137 -15.742 1.00 4.24 H new ATOM 0 HG22 VAL A 13 8.808 -2.959 -16.071 1.00 4.24 H new ATOM 0 HG23 VAL A 13 8.700 -1.187 -16.192 1.00 4.24 H new ATOM 195 N PRO A 14 10.337 -0.538 -19.889 1.00 3.44 N ATOM 196 CA PRO A 14 10.895 0.792 -20.152 1.00 13.42 C ATOM 197 C PRO A 14 9.828 1.794 -20.580 1.00 74.23 C ATOM 198 O PRO A 14 10.097 2.990 -20.697 1.00 73.31 O ATOM 199 CB PRO A 14 11.883 0.543 -21.294 1.00 3.14 C ATOM 200 CG PRO A 14 11.371 -0.677 -21.978 1.00 43.13 C ATOM 201 CD PRO A 14 10.745 -1.523 -20.904 1.00 44.22 C ATOM 0 HA PRO A 14 11.351 1.225 -19.262 1.00 13.42 H new ATOM 0 HB2 PRO A 14 11.922 1.392 -21.976 1.00 3.14 H new ATOM 0 HB3 PRO A 14 12.894 0.390 -20.917 1.00 3.14 H new ATOM 0 HG2 PRO A 14 10.641 -0.417 -22.745 1.00 43.13 H new ATOM 0 HG3 PRO A 14 12.179 -1.213 -22.476 1.00 43.13 H new ATOM 0 HD2 PRO A 14 9.892 -2.087 -21.282 1.00 44.22 H new ATOM 0 HD3 PRO A 14 11.452 -2.247 -20.500 1.00 44.22 H new ATOM 209 N ILE A 15 8.617 1.298 -20.813 1.00 11.14 N ATOM 210 CA ILE A 15 7.509 2.151 -21.227 1.00 25.44 C ATOM 211 C ILE A 15 7.358 3.347 -20.293 1.00 43.25 C ATOM 212 O ILE A 15 6.994 3.196 -19.127 1.00 13.54 O ATOM 213 CB ILE A 15 6.182 1.371 -21.262 1.00 73.05 C ATOM 214 CG1 ILE A 15 6.331 0.105 -22.108 1.00 24.40 C ATOM 215 CG2 ILE A 15 5.066 2.250 -21.808 1.00 21.21 C ATOM 216 CD1 ILE A 15 6.401 -1.165 -21.288 1.00 52.30 C ATOM 0 H ILE A 15 8.378 0.310 -20.722 1.00 11.14 H new ATOM 0 HA ILE A 15 7.740 2.504 -22.232 1.00 25.44 H new ATOM 0 HB ILE A 15 5.923 1.077 -20.245 1.00 73.05 H new ATOM 0 HG12 ILE A 15 5.489 0.037 -22.797 1.00 24.40 H new ATOM 0 HG13 ILE A 15 7.233 0.187 -22.714 1.00 24.40 H new ATOM 0 HG21 ILE A 15 4.134 1.685 -21.827 1.00 21.21 H new ATOM 0 HG22 ILE A 15 4.947 3.125 -21.169 1.00 21.21 H new ATOM 0 HG23 ILE A 15 5.317 2.570 -22.819 1.00 21.21 H new ATOM 0 HD11 ILE A 15 6.506 -2.022 -21.953 1.00 52.30 H new ATOM 0 HD12 ILE A 15 7.259 -1.118 -20.618 1.00 52.30 H new ATOM 0 HD13 ILE A 15 5.488 -1.270 -20.702 1.00 52.30 H new ATOM 228 N LEU A 16 7.639 4.536 -20.815 1.00 41.21 N ATOM 229 CA LEU A 16 7.533 5.761 -20.030 1.00 33.25 C ATOM 230 C LEU A 16 8.530 5.756 -18.875 1.00 72.42 C ATOM 231 O LEU A 16 8.177 5.446 -17.737 1.00 10.31 O ATOM 232 CB LEU A 16 6.111 5.922 -19.489 1.00 74.44 C ATOM 233 CG LEU A 16 4.981 5.702 -20.496 1.00 62.54 C ATOM 234 CD1 LEU A 16 3.638 5.639 -19.787 1.00 13.34 C ATOM 235 CD2 LEU A 16 4.981 6.803 -21.547 1.00 21.33 C ATOM 0 H LEU A 16 7.942 4.678 -21.779 1.00 41.21 H new ATOM 0 HA LEU A 16 7.765 6.602 -20.683 1.00 33.25 H new ATOM 0 HB2 LEU A 16 5.976 5.223 -18.664 1.00 74.44 H new ATOM 0 HB3 LEU A 16 6.012 6.926 -19.076 1.00 74.44 H new ATOM 0 HG LEU A 16 5.148 4.749 -20.997 1.00 62.54 H new ATOM 0 HD11 LEU A 16 2.847 5.482 -20.520 1.00 13.34 H new ATOM 0 HD12 LEU A 16 3.641 4.814 -19.074 1.00 13.34 H new ATOM 0 HD13 LEU A 16 3.462 6.575 -19.258 1.00 13.34 H new ATOM 0 HD21 LEU A 16 4.170 6.630 -22.255 1.00 21.33 H new ATOM 0 HD22 LEU A 16 4.839 7.769 -21.062 1.00 21.33 H new ATOM 0 HD23 LEU A 16 5.933 6.799 -22.078 1.00 21.33 H new ATOM 247 N LYS A 17 9.777 6.102 -19.176 1.00 13.21 N ATOM 248 CA LYS A 17 10.826 6.141 -18.164 1.00 14.52 C ATOM 249 C LYS A 17 10.441 7.072 -17.018 1.00 23.12 C ATOM 250 O LYS A 17 10.707 6.780 -15.852 1.00 2.25 O ATOM 251 CB LYS A 17 12.146 6.600 -18.786 1.00 44.01 C ATOM 252 CG LYS A 17 12.872 5.505 -19.549 1.00 10.03 C ATOM 253 CD LYS A 17 12.471 5.486 -21.014 1.00 54.11 C ATOM 254 CE LYS A 17 13.140 4.342 -21.761 1.00 0.35 C ATOM 255 NZ LYS A 17 13.735 4.794 -23.049 1.00 32.30 N ATOM 0 H LYS A 17 10.086 6.360 -20.113 1.00 13.21 H new ATOM 0 HA LYS A 17 10.950 5.134 -17.766 1.00 14.52 H new ATOM 0 HB2 LYS A 17 11.950 7.433 -19.461 1.00 44.01 H new ATOM 0 HB3 LYS A 17 12.798 6.976 -17.998 1.00 44.01 H new ATOM 0 HG2 LYS A 17 13.948 5.656 -19.467 1.00 10.03 H new ATOM 0 HG3 LYS A 17 12.651 4.538 -19.098 1.00 10.03 H new ATOM 0 HD2 LYS A 17 11.388 5.390 -21.095 1.00 54.11 H new ATOM 0 HD3 LYS A 17 12.743 6.434 -21.479 1.00 54.11 H new ATOM 0 HE2 LYS A 17 13.918 3.905 -21.135 1.00 0.35 H new ATOM 0 HE3 LYS A 17 12.408 3.557 -21.954 1.00 0.35 H new ATOM 0 HZ1 LYS A 17 14.181 3.986 -23.528 1.00 32.30 H new ATOM 0 HZ2 LYS A 17 12.989 5.188 -23.657 1.00 32.30 H new ATOM 0 HZ3 LYS A 17 14.451 5.525 -22.863 1.00 32.30 H new ATOM 269 N LYS A 18 9.813 8.192 -17.357 1.00 0.52 N ATOM 270 CA LYS A 18 9.389 9.165 -16.357 1.00 0.13 C ATOM 271 C LYS A 18 8.495 8.512 -15.307 1.00 42.13 C ATOM 272 O LYS A 18 8.562 8.848 -14.125 1.00 41.35 O ATOM 273 CB LYS A 18 8.646 10.324 -17.025 1.00 71.13 C ATOM 274 CG LYS A 18 9.481 11.586 -17.159 1.00 32.33 C ATOM 275 CD LYS A 18 9.461 12.405 -15.879 1.00 43.13 C ATOM 276 CE LYS A 18 10.550 11.959 -14.915 1.00 50.22 C ATOM 277 NZ LYS A 18 10.982 13.065 -14.016 1.00 52.02 N ATOM 0 H LYS A 18 9.586 8.449 -18.318 1.00 0.52 H new ATOM 0 HA LYS A 18 10.280 9.551 -15.862 1.00 0.13 H new ATOM 0 HB2 LYS A 18 8.316 10.010 -18.015 1.00 71.13 H new ATOM 0 HB3 LYS A 18 7.750 10.551 -16.447 1.00 71.13 H new ATOM 0 HG2 LYS A 18 10.509 11.319 -17.406 1.00 32.33 H new ATOM 0 HG3 LYS A 18 9.102 12.189 -17.984 1.00 32.33 H new ATOM 0 HD2 LYS A 18 9.595 13.460 -16.119 1.00 43.13 H new ATOM 0 HD3 LYS A 18 8.487 12.309 -15.399 1.00 43.13 H new ATOM 0 HE2 LYS A 18 10.185 11.125 -14.315 1.00 50.22 H new ATOM 0 HE3 LYS A 18 11.408 11.594 -15.480 1.00 50.22 H new ATOM 0 HZ1 LYS A 18 11.725 12.721 -13.375 1.00 52.02 H new ATOM 0 HZ2 LYS A 18 11.354 13.851 -14.587 1.00 52.02 H new ATOM 0 HZ3 LYS A 18 10.169 13.397 -13.458 1.00 52.02 H new ATOM 291 N ALA A 19 7.660 7.576 -15.747 1.00 43.33 N ATOM 292 CA ALA A 19 6.756 6.874 -14.845 1.00 41.01 C ATOM 293 C ALA A 19 7.531 6.060 -13.815 1.00 24.12 C ATOM 294 O ALA A 19 7.179 6.036 -12.636 1.00 72.31 O ATOM 295 CB ALA A 19 5.817 5.973 -15.634 1.00 44.53 C ATOM 0 H ALA A 19 7.591 7.287 -16.723 1.00 43.33 H new ATOM 0 HA ALA A 19 6.165 7.618 -14.311 1.00 41.01 H new ATOM 0 HB1 ALA A 19 5.147 5.455 -14.947 1.00 44.53 H new ATOM 0 HB2 ALA A 19 5.230 6.576 -16.327 1.00 44.53 H new ATOM 0 HB3 ALA A 19 6.400 5.241 -16.194 1.00 44.53 H new ATOM 301 N ALA A 20 8.589 5.394 -14.268 1.00 35.23 N ATOM 302 CA ALA A 20 9.414 4.580 -13.385 1.00 22.44 C ATOM 303 C ALA A 20 10.111 5.441 -12.337 1.00 24.43 C ATOM 304 O ALA A 20 10.119 5.107 -11.152 1.00 62.22 O ATOM 305 CB ALA A 20 10.438 3.796 -14.193 1.00 11.22 C ATOM 0 H ALA A 20 8.894 5.403 -15.241 1.00 35.23 H new ATOM 0 HA ALA A 20 8.763 3.877 -12.865 1.00 22.44 H new ATOM 0 HB1 ALA A 20 11.047 3.192 -13.520 1.00 11.22 H new ATOM 0 HB2 ALA A 20 9.923 3.145 -14.899 1.00 11.22 H new ATOM 0 HB3 ALA A 20 11.078 4.489 -14.739 1.00 11.22 H new ATOM 311 N GLN A 21 10.696 6.548 -12.781 1.00 50.33 N ATOM 312 CA GLN A 21 11.397 7.456 -11.881 1.00 21.34 C ATOM 313 C GLN A 21 10.435 8.071 -10.870 1.00 54.11 C ATOM 314 O GLN A 21 10.816 8.377 -9.741 1.00 40.23 O ATOM 315 CB GLN A 21 12.094 8.560 -12.677 1.00 4.24 C ATOM 316 CG GLN A 21 13.594 8.355 -12.817 1.00 61.43 C ATOM 317 CD GLN A 21 14.202 9.220 -13.903 1.00 64.34 C ATOM 318 OE1 GLN A 21 14.298 10.439 -13.761 1.00 52.12 O ATOM 319 NE2 GLN A 21 14.618 8.592 -14.997 1.00 64.01 N ATOM 0 H GLN A 21 10.699 6.838 -13.759 1.00 50.33 H new ATOM 0 HA GLN A 21 12.147 6.881 -11.338 1.00 21.34 H new ATOM 0 HB2 GLN A 21 11.649 8.616 -13.670 1.00 4.24 H new ATOM 0 HB3 GLN A 21 11.910 9.518 -12.191 1.00 4.24 H new ATOM 0 HG2 GLN A 21 14.078 8.579 -11.866 1.00 61.43 H new ATOM 0 HG3 GLN A 21 13.795 7.307 -13.038 1.00 61.43 H new ATOM 0 HE21 GLN A 21 14.519 7.580 -15.073 1.00 64.01 H new ATOM 0 HE22 GLN A 21 15.036 9.122 -15.761 1.00 64.01 H new ATOM 328 N GLY A 22 9.184 8.250 -11.284 1.00 52.13 N ATOM 329 CA GLY A 22 8.186 8.829 -10.403 1.00 63.34 C ATOM 330 C GLY A 22 8.058 8.071 -9.097 1.00 14.44 C ATOM 331 O GLY A 22 7.703 8.649 -8.068 1.00 31.20 O ATOM 0 H GLY A 22 8.844 8.004 -12.214 1.00 52.13 H new ATOM 0 HA2 GLY A 22 8.448 9.866 -10.194 1.00 63.34 H new ATOM 0 HA3 GLY A 22 7.221 8.840 -10.909 1.00 63.34 H new ATOM 335 N LEU A 23 8.344 6.775 -9.135 1.00 64.15 N ATOM 336 CA LEU A 23 8.257 5.936 -7.945 1.00 44.02 C ATOM 337 C LEU A 23 9.412 6.223 -6.991 1.00 44.11 C ATOM 338 O LEU A 23 9.553 5.572 -5.955 1.00 72.24 O ATOM 339 CB LEU A 23 8.261 4.458 -8.338 1.00 34.43 C ATOM 340 CG LEU A 23 7.266 4.050 -9.425 1.00 61.33 C ATOM 341 CD1 LEU A 23 7.197 2.535 -9.545 1.00 44.20 C ATOM 342 CD2 LEU A 23 5.889 4.626 -9.132 1.00 12.41 C ATOM 0 H LEU A 23 8.638 6.281 -9.978 1.00 64.15 H new ATOM 0 HA LEU A 23 7.322 6.168 -7.435 1.00 44.02 H new ATOM 0 HB2 LEU A 23 9.264 4.195 -8.674 1.00 34.43 H new ATOM 0 HB3 LEU A 23 8.058 3.865 -7.446 1.00 34.43 H new ATOM 0 HG LEU A 23 7.612 4.454 -10.376 1.00 61.33 H new ATOM 0 HD11 LEU A 23 6.484 2.264 -10.323 1.00 44.20 H new ATOM 0 HD12 LEU A 23 8.182 2.145 -9.803 1.00 44.20 H new ATOM 0 HD13 LEU A 23 6.876 2.109 -8.594 1.00 44.20 H new ATOM 0 HD21 LEU A 23 5.194 4.325 -9.916 1.00 12.41 H new ATOM 0 HD22 LEU A 23 5.535 4.252 -8.171 1.00 12.41 H new ATOM 0 HD23 LEU A 23 5.949 5.714 -9.098 1.00 12.41 H new ATOM 354 N CYS A 24 10.236 7.203 -7.346 1.00 2.53 N ATOM 355 CA CYS A 24 11.378 7.579 -6.521 1.00 43.12 C ATOM 356 C CYS A 24 11.292 9.046 -6.108 1.00 32.52 C ATOM 357 O CYS A 24 11.380 9.373 -4.924 1.00 53.31 O ATOM 358 CB CYS A 24 12.684 7.327 -7.277 1.00 5.11 C ATOM 359 SG CYS A 24 13.805 6.150 -6.454 1.00 33.14 S ATOM 0 H CYS A 24 10.134 7.751 -8.200 1.00 2.53 H new ATOM 0 HA CYS A 24 11.362 6.965 -5.621 1.00 43.12 H new ATOM 0 HB2 CYS A 24 12.448 6.952 -8.273 1.00 5.11 H new ATOM 0 HB3 CYS A 24 13.204 8.276 -7.409 1.00 5.11 H new ATOM 364 N ILE A 25 11.119 9.922 -7.091 1.00 41.30 N ATOM 365 CA ILE A 25 11.019 11.353 -6.829 1.00 63.24 C ATOM 366 C ILE A 25 9.761 11.680 -6.033 1.00 33.51 C ATOM 367 O ILE A 25 9.810 12.414 -5.045 1.00 71.33 O ATOM 368 CB ILE A 25 11.011 12.165 -8.138 1.00 15.11 C ATOM 369 CG1 ILE A 25 12.290 11.903 -8.935 1.00 71.11 C ATOM 370 CG2 ILE A 25 10.861 13.649 -7.839 1.00 0.31 C ATOM 371 CD1 ILE A 25 12.128 10.848 -10.007 1.00 42.23 C ATOM 0 H ILE A 25 11.045 9.667 -8.076 1.00 41.30 H new ATOM 0 HA ILE A 25 11.897 11.629 -6.245 1.00 63.24 H new ATOM 0 HB ILE A 25 10.160 11.847 -8.740 1.00 15.11 H new ATOM 0 HG12 ILE A 25 12.617 12.834 -9.399 1.00 71.11 H new ATOM 0 HG13 ILE A 25 13.079 11.595 -8.249 1.00 71.11 H new ATOM 0 HG21 ILE A 25 10.857 14.210 -8.774 1.00 0.31 H new ATOM 0 HG22 ILE A 25 9.924 13.820 -7.309 1.00 0.31 H new ATOM 0 HG23 ILE A 25 11.694 13.981 -7.220 1.00 0.31 H new ATOM 0 HD11 ILE A 25 13.074 10.714 -10.532 1.00 42.23 H new ATOM 0 HD12 ILE A 25 11.831 9.905 -9.548 1.00 42.23 H new ATOM 0 HD13 ILE A 25 11.362 11.163 -10.715 1.00 42.23 H new ATOM 383 N THR A 26 8.632 11.128 -6.468 1.00 32.14 N ATOM 384 CA THR A 26 7.360 11.360 -5.795 1.00 74.54 C ATOM 385 C THR A 26 7.262 10.548 -4.509 1.00 32.12 C ATOM 386 O THR A 26 6.720 11.016 -3.508 1.00 11.42 O ATOM 387 CB THR A 26 6.170 11.002 -6.706 1.00 52.22 C ATOM 388 OG1 THR A 26 5.463 12.191 -7.078 1.00 20.13 O ATOM 389 CG2 THR A 26 5.222 10.041 -6.006 1.00 31.53 C ATOM 0 H THR A 26 8.573 10.518 -7.283 1.00 32.14 H new ATOM 0 HA THR A 26 7.319 12.422 -5.555 1.00 74.54 H new ATOM 0 HB THR A 26 6.559 10.516 -7.601 1.00 52.22 H new ATOM 0 HG1 THR A 26 4.709 11.955 -7.658 1.00 20.13 H new ATOM 0 HG21 THR A 26 4.390 9.803 -6.669 1.00 31.53 H new ATOM 0 HG22 THR A 26 5.755 9.126 -5.750 1.00 31.53 H new ATOM 0 HG23 THR A 26 4.840 10.505 -5.096 1.00 31.53 H new ATOM 397 N SER A 27 7.790 9.329 -4.542 1.00 62.41 N ATOM 398 CA SER A 27 7.759 8.450 -3.379 1.00 4.24 C ATOM 399 C SER A 27 8.502 9.079 -2.203 1.00 72.04 C ATOM 400 O SER A 27 8.165 8.842 -1.043 1.00 2.12 O ATOM 401 CB SER A 27 8.379 7.094 -3.721 1.00 34.32 C ATOM 402 OG SER A 27 7.801 6.059 -2.943 1.00 64.04 O ATOM 0 H SER A 27 8.245 8.927 -5.362 1.00 62.41 H new ATOM 0 HA SER A 27 6.717 8.304 -3.093 1.00 4.24 H new ATOM 0 HB2 SER A 27 8.235 6.881 -4.780 1.00 34.32 H new ATOM 0 HB3 SER A 27 9.454 7.128 -3.546 1.00 34.32 H new ATOM 0 HG SER A 27 7.249 5.488 -3.517 1.00 64.04 H new ATOM 408 N CYS A 28 9.514 9.882 -2.513 1.00 2.02 N ATOM 409 CA CYS A 28 10.306 10.546 -1.484 1.00 63.25 C ATOM 410 C CYS A 28 9.513 11.673 -0.830 1.00 0.20 C ATOM 411 O CYS A 28 9.539 11.838 0.390 1.00 71.53 O ATOM 412 CB CYS A 28 11.600 11.100 -2.086 1.00 34.34 C ATOM 413 SG CYS A 28 13.113 10.536 -1.242 1.00 54.01 S ATOM 0 H CYS A 28 9.805 10.089 -3.468 1.00 2.02 H new ATOM 0 HA CYS A 28 10.554 9.810 -0.720 1.00 63.25 H new ATOM 0 HB2 CYS A 28 11.653 10.811 -3.136 1.00 34.34 H new ATOM 0 HB3 CYS A 28 11.565 12.189 -2.057 1.00 34.34 H new ATOM 418 N SER A 29 8.809 12.447 -1.650 1.00 35.23 N ATOM 419 CA SER A 29 8.010 13.561 -1.152 1.00 23.14 C ATOM 420 C SER A 29 7.012 13.087 -0.100 1.00 71.40 C ATOM 421 O SER A 29 6.677 13.821 0.829 1.00 73.11 O ATOM 422 CB SER A 29 7.269 14.241 -2.305 1.00 25.33 C ATOM 423 OG SER A 29 7.078 15.620 -2.045 1.00 14.43 O ATOM 0 H SER A 29 8.776 12.323 -2.662 1.00 35.23 H new ATOM 0 HA SER A 29 8.685 14.281 -0.689 1.00 23.14 H new ATOM 0 HB2 SER A 29 7.835 14.117 -3.228 1.00 25.33 H new ATOM 0 HB3 SER A 29 6.303 13.759 -2.455 1.00 25.33 H new ATOM 0 HG SER A 29 6.604 16.032 -2.797 1.00 14.43 H new ATOM 429 N MET A 30 6.541 11.854 -0.254 1.00 72.53 N ATOM 430 CA MET A 30 5.581 11.280 0.682 1.00 24.32 C ATOM 431 C MET A 30 6.251 10.949 2.012 1.00 1.44 C ATOM 432 O MET A 30 5.578 10.747 3.022 1.00 33.13 O ATOM 433 CB MET A 30 4.949 10.019 0.089 1.00 0.14 C ATOM 434 CG MET A 30 4.614 10.145 -1.388 1.00 70.50 C ATOM 435 SD MET A 30 2.979 9.497 -1.787 1.00 23.31 S ATOM 436 CE MET A 30 2.090 11.012 -2.135 1.00 1.24 C ATOM 0 H MET A 30 6.808 11.233 -1.018 1.00 72.53 H new ATOM 0 HA MET A 30 4.800 12.019 0.862 1.00 24.32 H new ATOM 0 HB2 MET A 30 5.631 9.180 0.228 1.00 0.14 H new ATOM 0 HB3 MET A 30 4.039 9.784 0.641 1.00 0.14 H new ATOM 0 HG2 MET A 30 4.666 11.194 -1.680 1.00 70.50 H new ATOM 0 HG3 MET A 30 5.364 9.613 -1.973 1.00 70.50 H new ATOM 0 HE1 MET A 30 1.059 10.776 -2.399 1.00 1.24 H new ATOM 0 HE2 MET A 30 2.102 11.652 -1.253 1.00 1.24 H new ATOM 0 HE3 MET A 30 2.567 11.531 -2.966 1.00 1.24 H new ATOM 446 N GLN A 31 7.579 10.897 2.004 1.00 21.52 N ATOM 447 CA GLN A 31 8.338 10.590 3.211 1.00 63.44 C ATOM 448 C GLN A 31 9.033 11.836 3.749 1.00 52.22 C ATOM 449 O GLN A 31 9.986 11.743 4.521 1.00 32.10 O ATOM 450 CB GLN A 31 9.372 9.499 2.924 1.00 20.14 C ATOM 451 CG GLN A 31 9.004 8.604 1.752 1.00 53.20 C ATOM 452 CD GLN A 31 9.513 7.186 1.918 1.00 73.13 C ATOM 453 OE1 GLN A 31 10.561 6.824 1.382 1.00 35.51 O ATOM 454 NE2 GLN A 31 8.772 6.374 2.663 1.00 52.11 N ATOM 0 H GLN A 31 8.151 11.063 1.176 1.00 21.52 H new ATOM 0 HA GLN A 31 7.640 10.231 3.967 1.00 63.44 H new ATOM 0 HB2 GLN A 31 10.336 9.967 2.724 1.00 20.14 H new ATOM 0 HB3 GLN A 31 9.495 8.884 3.815 1.00 20.14 H new ATOM 0 HG2 GLN A 31 7.920 8.586 1.640 1.00 53.20 H new ATOM 0 HG3 GLN A 31 9.412 9.027 0.834 1.00 53.20 H new ATOM 0 HE21 GLN A 31 7.910 6.716 3.088 1.00 52.11 H new ATOM 0 HE22 GLN A 31 9.064 5.408 2.810 1.00 52.11 H new ATOM 463 N ASN A 32 8.548 13.003 3.335 1.00 64.41 N ATOM 464 CA ASN A 32 9.124 14.269 3.775 1.00 74.51 C ATOM 465 C ASN A 32 10.551 14.426 3.260 1.00 71.24 C ATOM 466 O ASN A 32 11.431 14.908 3.973 1.00 11.14 O ATOM 467 CB ASN A 32 9.108 14.356 5.302 1.00 23.03 C ATOM 468 CG ASN A 32 7.824 13.814 5.900 1.00 40.13 C ATOM 469 OD1 ASN A 32 7.851 13.004 6.826 1.00 72.51 O ATOM 470 ND2 ASN A 32 6.691 14.261 5.370 1.00 30.43 N ATOM 0 H ASN A 32 7.758 13.098 2.696 1.00 64.41 H new ATOM 0 HA ASN A 32 8.519 15.077 3.365 1.00 74.51 H new ATOM 0 HB2 ASN A 32 9.955 13.800 5.703 1.00 23.03 H new ATOM 0 HB3 ASN A 32 9.236 15.395 5.605 1.00 23.03 H new ATOM 0 HD21 ASN A 32 5.795 13.933 5.730 1.00 30.43 H new ATOM 0 HD22 ASN A 32 6.717 14.933 4.603 1.00 30.43 H new ATOM 477 N CYS A 33 10.773 14.016 2.015 1.00 4.22 N ATOM 478 CA CYS A 33 12.093 14.111 1.403 1.00 51.13 C ATOM 479 C CYS A 33 12.118 15.197 0.331 1.00 62.34 C ATOM 480 O CYS A 33 11.147 15.931 0.152 1.00 21.43 O ATOM 481 CB CYS A 33 12.493 12.766 0.792 1.00 14.40 C ATOM 482 SG CYS A 33 12.791 11.452 2.018 1.00 52.31 S ATOM 0 H CYS A 33 10.056 13.615 1.411 1.00 4.22 H new ATOM 0 HA CYS A 33 12.809 14.376 2.181 1.00 51.13 H new ATOM 0 HB2 CYS A 33 11.707 12.441 0.110 1.00 14.40 H new ATOM 0 HB3 CYS A 33 13.395 12.904 0.196 1.00 14.40 H new ATOM 487 N GLY A 34 13.237 15.292 -0.381 1.00 62.13 N ATOM 488 CA GLY A 34 13.369 16.290 -1.427 1.00 34.32 C ATOM 489 C GLY A 34 13.307 15.686 -2.816 1.00 31.22 C ATOM 490 O GLY A 34 12.459 16.059 -3.627 1.00 34.11 O ATOM 0 H GLY A 34 14.054 14.696 -0.252 1.00 62.13 H new ATOM 0 HA2 GLY A 34 12.576 17.030 -1.320 1.00 34.32 H new ATOM 0 HA3 GLY A 34 14.316 16.817 -1.305 1.00 34.32 H new ATOM 494 N THR A 35 14.210 14.750 -3.093 1.00 74.12 N ATOM 495 CA THR A 35 14.256 14.095 -4.394 1.00 45.14 C ATOM 496 C THR A 35 14.675 12.635 -4.261 1.00 12.45 C ATOM 497 O THR A 35 14.910 12.146 -3.157 1.00 33.52 O ATOM 498 CB THR A 35 15.231 14.811 -5.349 1.00 13.12 C ATOM 499 OG1 THR A 35 15.031 14.350 -6.690 1.00 32.34 O ATOM 500 CG2 THR A 35 16.673 14.567 -4.933 1.00 24.21 C ATOM 0 H THR A 35 14.919 14.429 -2.434 1.00 74.12 H new ATOM 0 HA THR A 35 13.249 14.145 -4.808 1.00 45.14 H new ATOM 0 HB THR A 35 15.032 15.882 -5.300 1.00 13.12 H new ATOM 0 HG1 THR A 35 15.653 14.811 -7.291 1.00 32.34 H new ATOM 0 HG21 THR A 35 17.343 15.082 -5.622 1.00 24.21 H new ATOM 0 HG22 THR A 35 16.829 14.946 -3.923 1.00 24.21 H new ATOM 0 HG23 THR A 35 16.882 13.497 -4.955 1.00 24.21 H new ATOM 508 N GLY A 36 14.767 11.944 -5.393 1.00 12.51 N ATOM 509 CA GLY A 36 15.158 10.547 -5.380 1.00 32.04 C ATOM 510 C GLY A 36 15.438 10.010 -6.769 1.00 73.01 C ATOM 511 O GLY A 36 14.616 10.153 -7.674 1.00 71.14 O ATOM 0 H GLY A 36 14.578 12.327 -6.319 1.00 12.51 H new ATOM 0 HA2 GLY A 36 16.048 10.428 -4.762 1.00 32.04 H new ATOM 0 HA3 GLY A 36 14.367 9.956 -4.918 1.00 32.04 H new ATOM 515 N SER A 37 16.602 9.391 -6.939 1.00 52.55 N ATOM 516 CA SER A 37 16.991 8.836 -8.230 1.00 54.15 C ATOM 517 C SER A 37 17.180 7.325 -8.137 1.00 2.11 C ATOM 518 O SER A 37 17.631 6.806 -7.115 1.00 41.23 O ATOM 519 CB SER A 37 18.280 9.494 -8.725 1.00 25.32 C ATOM 520 OG SER A 37 18.080 10.137 -9.972 1.00 33.44 O ATOM 0 H SER A 37 17.292 9.261 -6.199 1.00 52.55 H new ATOM 0 HA SER A 37 16.191 9.041 -8.942 1.00 54.15 H new ATOM 0 HB2 SER A 37 18.627 10.220 -7.990 1.00 25.32 H new ATOM 0 HB3 SER A 37 19.062 8.741 -8.822 1.00 25.32 H new ATOM 0 HG SER A 37 18.919 10.551 -10.265 1.00 33.44 H new ATOM 526 N CYS A 38 16.832 6.624 -9.211 1.00 24.02 N ATOM 527 CA CYS A 38 16.963 5.173 -9.252 1.00 72.52 C ATOM 528 C CYS A 38 18.034 4.751 -10.254 1.00 74.13 C ATOM 529 O CYS A 38 18.142 5.320 -11.341 1.00 2.14 O ATOM 530 CB CYS A 38 15.624 4.530 -9.619 1.00 71.42 C ATOM 531 SG CYS A 38 15.104 4.825 -11.340 1.00 63.52 S ATOM 0 H CYS A 38 16.457 7.038 -10.065 1.00 24.02 H new ATOM 0 HA CYS A 38 17.263 4.832 -8.261 1.00 72.52 H new ATOM 0 HB2 CYS A 38 15.691 3.455 -9.450 1.00 71.42 H new ATOM 0 HB3 CYS A 38 14.854 4.911 -8.948 1.00 71.42 H new ATOM 536 N LYS A 39 18.823 3.749 -9.882 1.00 0.24 N ATOM 537 CA LYS A 39 19.885 3.249 -10.747 1.00 32.35 C ATOM 538 C LYS A 39 19.981 1.729 -10.666 1.00 20.51 C ATOM 539 O LYS A 39 19.531 1.118 -9.696 1.00 2.00 O ATOM 540 CB LYS A 39 21.225 3.876 -10.358 1.00 44.53 C ATOM 541 CG LYS A 39 21.145 5.371 -10.099 1.00 32.22 C ATOM 542 CD LYS A 39 21.056 5.675 -8.613 1.00 34.44 C ATOM 543 CE LYS A 39 21.365 7.135 -8.323 1.00 0.42 C ATOM 544 NZ LYS A 39 22.828 7.374 -8.178 1.00 53.42 N ATOM 0 H LYS A 39 18.747 3.267 -8.986 1.00 0.24 H new ATOM 0 HA LYS A 39 19.645 3.527 -11.773 1.00 32.35 H new ATOM 0 HB2 LYS A 39 21.602 3.381 -9.463 1.00 44.53 H new ATOM 0 HB3 LYS A 39 21.947 3.692 -11.153 1.00 44.53 H new ATOM 0 HG2 LYS A 39 22.023 5.862 -10.520 1.00 32.22 H new ATOM 0 HG3 LYS A 39 20.274 5.783 -10.609 1.00 32.22 H new ATOM 0 HD2 LYS A 39 20.056 5.435 -8.251 1.00 34.44 H new ATOM 0 HD3 LYS A 39 21.754 5.039 -8.068 1.00 34.44 H new ATOM 0 HE2 LYS A 39 20.974 7.756 -9.129 1.00 0.42 H new ATOM 0 HE3 LYS A 39 20.855 7.440 -7.409 1.00 0.42 H new ATOM 0 HZ1 LYS A 39 22.997 8.381 -7.981 1.00 53.42 H new ATOM 0 HZ2 LYS A 39 23.197 6.801 -7.393 1.00 53.42 H new ATOM 0 HZ3 LYS A 39 23.312 7.107 -9.059 1.00 53.42 H new ATOM 558 N LYS A 40 20.571 1.122 -11.690 1.00 45.54 N ATOM 559 CA LYS A 40 20.730 -0.326 -11.735 1.00 72.30 C ATOM 560 C LYS A 40 21.900 -0.773 -10.864 1.00 40.34 C ATOM 561 O LYS A 40 23.058 -0.496 -11.176 1.00 5.44 O ATOM 562 CB LYS A 40 20.946 -0.792 -13.177 1.00 21.13 C ATOM 563 CG LYS A 40 19.683 -1.306 -13.846 1.00 21.23 C ATOM 564 CD LYS A 40 19.237 -2.632 -13.252 1.00 5.12 C ATOM 565 CE LYS A 40 18.335 -3.396 -14.209 1.00 22.05 C ATOM 566 NZ LYS A 40 18.950 -4.680 -14.645 1.00 24.00 N ATOM 0 H LYS A 40 20.948 1.612 -12.501 1.00 45.54 H new ATOM 0 HA LYS A 40 19.818 -0.778 -11.346 1.00 72.30 H new ATOM 0 HB2 LYS A 40 21.345 0.037 -13.762 1.00 21.13 H new ATOM 0 HB3 LYS A 40 21.699 -1.580 -13.186 1.00 21.13 H new ATOM 0 HG2 LYS A 40 18.886 -0.570 -13.735 1.00 21.23 H new ATOM 0 HG3 LYS A 40 19.859 -1.426 -14.915 1.00 21.23 H new ATOM 0 HD2 LYS A 40 20.111 -3.237 -13.013 1.00 5.12 H new ATOM 0 HD3 LYS A 40 18.708 -2.453 -12.316 1.00 5.12 H new ATOM 0 HE2 LYS A 40 17.379 -3.597 -13.725 1.00 22.05 H new ATOM 0 HE3 LYS A 40 18.126 -2.778 -15.082 1.00 22.05 H new ATOM 0 HZ1 LYS A 40 18.472 -5.020 -15.504 1.00 24.00 H new ATOM 0 HZ2 LYS A 40 19.959 -4.531 -14.846 1.00 24.00 H new ATOM 0 HZ3 LYS A 40 18.849 -5.388 -13.890 1.00 24.00 H new ATOM 580 N ARG A 41 21.590 -1.466 -9.774 1.00 34.01 N ATOM 581 CA ARG A 41 22.616 -1.951 -8.859 1.00 11.00 C ATOM 582 C ARG A 41 22.930 -3.421 -9.123 1.00 55.34 C ATOM 583 O ARG A 41 22.128 -4.302 -8.814 1.00 60.20 O ATOM 584 CB ARG A 41 22.164 -1.768 -7.409 1.00 4.31 C ATOM 585 CG ARG A 41 21.983 -0.313 -7.007 1.00 34.22 C ATOM 586 CD ARG A 41 23.300 0.445 -7.047 1.00 63.32 C ATOM 587 NE ARG A 41 24.285 -0.119 -6.127 1.00 74.13 N ATOM 588 CZ ARG A 41 24.251 0.064 -4.812 1.00 53.11 C ATOM 589 NH1 ARG A 41 23.287 0.792 -4.265 1.00 74.14 N ATOM 590 NH2 ARG A 41 25.182 -0.482 -4.041 1.00 2.33 N ATOM 0 H ARG A 41 20.636 -1.704 -9.503 1.00 34.01 H new ATOM 0 HA ARG A 41 23.522 -1.368 -9.027 1.00 11.00 H new ATOM 0 HB2 ARG A 41 21.222 -2.297 -7.261 1.00 4.31 H new ATOM 0 HB3 ARG A 41 22.897 -2.231 -6.748 1.00 4.31 H new ATOM 0 HG2 ARG A 41 21.267 0.164 -7.676 1.00 34.22 H new ATOM 0 HG3 ARG A 41 21.563 -0.262 -6.002 1.00 34.22 H new ATOM 0 HD2 ARG A 41 23.699 0.426 -8.061 1.00 63.32 H new ATOM 0 HD3 ARG A 41 23.124 1.490 -6.794 1.00 63.32 H new ATOM 0 HE ARG A 41 25.040 -0.684 -6.516 1.00 74.13 H new ATOM 0 HH11 ARG A 41 22.569 1.213 -4.855 1.00 74.14 H new ATOM 0 HH12 ARG A 41 23.263 0.931 -3.255 1.00 74.14 H new ATOM 0 HH21 ARG A 41 25.925 -1.043 -4.458 1.00 2.33 H new ATOM 0 HH22 ARG A 41 25.155 -0.341 -3.031 1.00 2.33 H new ATOM 604 N SER A 42 24.101 -3.676 -9.698 1.00 75.50 N ATOM 605 CA SER A 42 24.518 -5.039 -10.008 1.00 44.43 C ATOM 606 C SER A 42 23.492 -5.732 -10.898 1.00 73.53 C ATOM 607 O SER A 42 23.317 -6.949 -10.833 1.00 3.55 O ATOM 608 CB SER A 42 24.717 -5.839 -8.720 1.00 65.50 C ATOM 609 OG SER A 42 25.898 -6.622 -8.783 1.00 15.40 O ATOM 0 H SER A 42 24.777 -2.958 -9.958 1.00 75.50 H new ATOM 0 HA SER A 42 25.465 -4.990 -10.546 1.00 44.43 H new ATOM 0 HB2 SER A 42 24.773 -5.158 -7.870 1.00 65.50 H new ATOM 0 HB3 SER A 42 23.856 -6.486 -8.554 1.00 65.50 H new ATOM 0 HG SER A 42 26.003 -7.123 -7.947 1.00 15.40 H new ATOM 615 N GLY A 43 22.814 -4.949 -11.731 1.00 54.52 N ATOM 616 CA GLY A 43 21.812 -5.504 -12.623 1.00 2.22 C ATOM 617 C GLY A 43 20.450 -5.615 -11.968 1.00 11.55 C ATOM 618 O GLY A 43 19.571 -6.321 -12.462 1.00 42.45 O ATOM 0 H GLY A 43 22.941 -3.940 -11.804 1.00 54.52 H new ATOM 0 HA2 GLY A 43 21.734 -4.878 -13.512 1.00 2.22 H new ATOM 0 HA3 GLY A 43 22.133 -6.491 -12.956 1.00 2.22 H new ATOM 622 N ARG A 44 20.274 -4.917 -10.850 1.00 50.22 N ATOM 623 CA ARG A 44 19.010 -4.942 -10.125 1.00 32.45 C ATOM 624 C ARG A 44 18.408 -3.543 -10.031 1.00 24.14 C ATOM 625 O ARG A 44 19.089 -2.569 -9.709 1.00 53.41 O ATOM 626 CB ARG A 44 19.214 -5.516 -8.721 1.00 62.43 C ATOM 627 CG ARG A 44 19.695 -6.958 -8.717 1.00 71.43 C ATOM 628 CD ARG A 44 18.613 -7.908 -9.207 1.00 14.24 C ATOM 629 NE ARG A 44 18.930 -9.301 -8.906 1.00 30.31 N ATOM 630 CZ ARG A 44 18.371 -10.333 -9.528 1.00 61.13 C ATOM 631 NH1 ARG A 44 17.472 -10.129 -10.481 1.00 33.11 N ATOM 632 NH2 ARG A 44 18.712 -11.572 -9.199 1.00 30.44 N ATOM 0 H ARG A 44 20.991 -4.328 -10.427 1.00 50.22 H new ATOM 0 HA ARG A 44 18.318 -5.580 -10.675 1.00 32.45 H new ATOM 0 HB2 ARG A 44 19.937 -4.899 -8.187 1.00 62.43 H new ATOM 0 HB3 ARG A 44 18.274 -5.454 -8.172 1.00 62.43 H new ATOM 0 HG2 ARG A 44 20.576 -7.050 -9.352 1.00 71.43 H new ATOM 0 HG3 ARG A 44 19.998 -7.239 -7.708 1.00 71.43 H new ATOM 0 HD2 ARG A 44 17.662 -7.644 -8.744 1.00 14.24 H new ATOM 0 HD3 ARG A 44 18.487 -7.789 -10.283 1.00 14.24 H new ATOM 0 HE ARG A 44 19.619 -9.492 -8.178 1.00 30.31 H new ATOM 0 HH11 ARG A 44 17.208 -9.178 -10.738 1.00 33.11 H new ATOM 0 HH12 ARG A 44 17.044 -10.923 -10.957 1.00 33.11 H new ATOM 0 HH21 ARG A 44 19.404 -11.733 -8.467 1.00 30.44 H new ATOM 0 HH22 ARG A 44 18.282 -12.363 -9.678 1.00 30.44 H new ATOM 646 N PRO A 45 17.102 -3.440 -10.318 1.00 44.52 N ATOM 647 CA PRO A 45 16.381 -2.164 -10.273 1.00 74.42 C ATOM 648 C PRO A 45 16.209 -1.646 -8.850 1.00 15.44 C ATOM 649 O PRO A 45 15.218 -1.947 -8.183 1.00 21.33 O ATOM 650 CB PRO A 45 15.020 -2.505 -10.886 1.00 60.22 C ATOM 651 CG PRO A 45 14.850 -3.965 -10.643 1.00 71.11 C ATOM 652 CD PRO A 45 16.230 -4.559 -10.709 1.00 34.41 C ATOM 0 HA PRO A 45 16.916 -1.374 -10.800 1.00 74.42 H new ATOM 0 HB2 PRO A 45 14.220 -1.930 -10.419 1.00 60.22 H new ATOM 0 HB3 PRO A 45 14.997 -2.276 -11.951 1.00 60.22 H new ATOM 0 HG2 PRO A 45 14.392 -4.148 -9.671 1.00 71.11 H new ATOM 0 HG3 PRO A 45 14.196 -4.412 -11.392 1.00 71.11 H new ATOM 0 HD2 PRO A 45 16.336 -5.406 -10.032 1.00 34.41 H new ATOM 0 HD3 PRO A 45 16.464 -4.920 -11.710 1.00 34.41 H new ATOM 660 N THR A 46 17.179 -0.863 -8.389 1.00 0.35 N ATOM 661 CA THR A 46 17.135 -0.302 -7.044 1.00 21.42 C ATOM 662 C THR A 46 16.750 1.172 -7.075 1.00 0.21 C ATOM 663 O THR A 46 17.223 1.930 -7.922 1.00 43.41 O ATOM 664 CB THR A 46 18.491 -0.452 -6.328 1.00 71.23 C ATOM 665 OG1 THR A 46 18.837 -1.837 -6.219 1.00 33.51 O ATOM 666 CG2 THR A 46 18.444 0.175 -4.943 1.00 71.21 C ATOM 0 H THR A 46 18.005 -0.603 -8.927 1.00 0.35 H new ATOM 0 HA THR A 46 16.378 -0.861 -6.494 1.00 21.42 H new ATOM 0 HB THR A 46 19.248 0.065 -6.918 1.00 71.23 H new ATOM 0 HG1 THR A 46 19.701 -1.924 -5.764 1.00 33.51 H new ATOM 0 HG21 THR A 46 19.412 0.057 -4.457 1.00 71.21 H new ATOM 0 HG22 THR A 46 18.210 1.236 -5.032 1.00 71.21 H new ATOM 0 HG23 THR A 46 17.676 -0.318 -4.346 1.00 71.21 H new ATOM 674 N CYS A 47 15.889 1.574 -6.146 1.00 30.21 N ATOM 675 CA CYS A 47 15.440 2.958 -6.066 1.00 51.52 C ATOM 676 C CYS A 47 16.117 3.684 -4.907 1.00 42.11 C ATOM 677 O CYS A 47 15.976 3.294 -3.748 1.00 73.42 O ATOM 678 CB CYS A 47 13.920 3.015 -5.899 1.00 61.22 C ATOM 679 SG CYS A 47 13.113 4.326 -6.873 1.00 62.00 S ATOM 0 H CYS A 47 15.488 0.960 -5.437 1.00 30.21 H new ATOM 0 HA CYS A 47 15.716 3.457 -6.995 1.00 51.52 H new ATOM 0 HB2 CYS A 47 13.497 2.052 -6.186 1.00 61.22 H new ATOM 0 HB3 CYS A 47 13.686 3.164 -4.845 1.00 61.22 H new ATOM 684 N VAL A 48 16.854 4.743 -5.229 1.00 14.04 N ATOM 685 CA VAL A 48 17.552 5.525 -4.215 1.00 60.31 C ATOM 686 C VAL A 48 16.915 6.899 -4.046 1.00 11.34 C ATOM 687 O VAL A 48 16.394 7.477 -5.001 1.00 22.53 O ATOM 688 CB VAL A 48 19.041 5.701 -4.569 1.00 55.14 C ATOM 689 CG1 VAL A 48 19.842 6.081 -3.334 1.00 3.11 C ATOM 690 CG2 VAL A 48 19.591 4.432 -5.203 1.00 11.21 C ATOM 0 H VAL A 48 16.983 5.079 -6.183 1.00 14.04 H new ATOM 0 HA VAL A 48 17.472 4.973 -3.278 1.00 60.31 H new ATOM 0 HB VAL A 48 19.132 6.510 -5.294 1.00 55.14 H new ATOM 0 HG11 VAL A 48 20.891 6.201 -3.604 1.00 3.11 H new ATOM 0 HG12 VAL A 48 19.462 7.019 -2.928 1.00 3.11 H new ATOM 0 HG13 VAL A 48 19.748 5.296 -2.583 1.00 3.11 H new ATOM 0 HG21 VAL A 48 20.644 4.574 -5.447 1.00 11.21 H new ATOM 0 HG22 VAL A 48 19.489 3.602 -4.504 1.00 11.21 H new ATOM 0 HG23 VAL A 48 19.035 4.210 -6.114 1.00 11.21 H new ATOM 700 N CYS A 49 16.960 7.420 -2.824 1.00 31.42 N ATOM 701 CA CYS A 49 16.387 8.727 -2.527 1.00 44.13 C ATOM 702 C CYS A 49 17.474 9.715 -2.112 1.00 13.01 C ATOM 703 O CYS A 49 18.601 9.323 -1.808 1.00 14.21 O ATOM 704 CB CYS A 49 15.339 8.609 -1.419 1.00 24.21 C ATOM 705 SG CYS A 49 13.626 8.862 -1.985 1.00 65.51 S ATOM 0 H CYS A 49 17.388 6.956 -2.023 1.00 31.42 H new ATOM 0 HA CYS A 49 15.907 9.100 -3.432 1.00 44.13 H new ATOM 0 HB2 CYS A 49 15.418 7.622 -0.963 1.00 24.21 H new ATOM 0 HB3 CYS A 49 15.565 9.338 -0.641 1.00 24.21 H new ATOM 710 N TYR A 50 17.127 10.997 -2.101 1.00 54.12 N ATOM 711 CA TYR A 50 18.072 12.042 -1.725 1.00 72.25 C ATOM 712 C TYR A 50 17.342 13.270 -1.191 1.00 0.14 C ATOM 713 O TYR A 50 16.114 13.342 -1.229 1.00 34.21 O ATOM 714 CB TYR A 50 18.937 12.431 -2.925 1.00 43.21 C ATOM 715 CG TYR A 50 19.797 11.301 -3.444 1.00 72.40 C ATOM 716 CD1 TYR A 50 21.061 11.065 -2.918 1.00 1.33 C ATOM 717 CD2 TYR A 50 19.345 10.469 -4.461 1.00 24.41 C ATOM 718 CE1 TYR A 50 21.850 10.034 -3.389 1.00 44.01 C ATOM 719 CE2 TYR A 50 20.127 9.434 -4.937 1.00 41.14 C ATOM 720 CZ TYR A 50 21.379 9.221 -4.399 1.00 32.05 C ATOM 721 OH TYR A 50 22.161 8.192 -4.871 1.00 41.44 O ATOM 0 H TYR A 50 16.198 11.338 -2.348 1.00 54.12 H new ATOM 0 HA TYR A 50 18.713 11.651 -0.935 1.00 72.25 H new ATOM 0 HB2 TYR A 50 18.291 12.783 -3.729 1.00 43.21 H new ATOM 0 HB3 TYR A 50 19.579 13.265 -2.644 1.00 43.21 H new ATOM 0 HD1 TYR A 50 21.433 11.699 -2.127 1.00 1.33 H new ATOM 0 HD2 TYR A 50 18.366 10.634 -4.886 1.00 24.41 H new ATOM 0 HE1 TYR A 50 22.830 9.865 -2.969 1.00 44.01 H new ATOM 0 HE2 TYR A 50 19.760 8.795 -5.726 1.00 41.14 H new ATOM 0 HH TYR A 50 21.609 7.576 -5.397 1.00 41.44 H new ATOM 731 N ARG A 51 18.108 14.235 -0.692 1.00 42.15 N ATOM 732 CA ARG A 51 17.536 15.461 -0.149 1.00 0.00 C ATOM 733 C ARG A 51 16.442 15.146 0.868 1.00 45.53 C ATOM 734 O ARG A 51 15.499 15.919 1.040 1.00 71.23 O ATOM 735 CB ARG A 51 16.967 16.326 -1.275 1.00 11.32 C ATOM 736 CG ARG A 51 17.995 16.710 -2.327 1.00 14.32 C ATOM 737 CD ARG A 51 17.826 18.156 -2.768 1.00 65.33 C ATOM 738 NE ARG A 51 19.111 18.826 -2.949 1.00 65.21 N ATOM 739 CZ ARG A 51 19.232 20.095 -3.322 1.00 64.12 C ATOM 740 NH1 ARG A 51 18.152 20.828 -3.552 1.00 74.44 N ATOM 741 NH2 ARG A 51 20.437 20.634 -3.465 1.00 75.22 N ATOM 0 H ARG A 51 19.126 14.191 -0.653 1.00 42.15 H new ATOM 0 HA ARG A 51 18.330 16.011 0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 51 16.150 15.789 -1.757 1.00 11.32 H new ATOM 0 HB3 ARG A 51 16.543 17.234 -0.846 1.00 11.32 H new ATOM 0 HG2 ARG A 51 18.999 16.565 -1.927 1.00 14.32 H new ATOM 0 HG3 ARG A 51 17.898 16.051 -3.190 1.00 14.32 H new ATOM 0 HD2 ARG A 51 17.266 18.187 -3.703 1.00 65.33 H new ATOM 0 HD3 ARG A 51 17.237 18.695 -2.026 1.00 65.33 H new ATOM 0 HE ARG A 51 19.962 18.290 -2.780 1.00 65.21 H new ATOM 0 HH11 ARG A 51 17.225 20.418 -3.443 1.00 74.44 H new ATOM 0 HH12 ARG A 51 18.248 21.802 -3.838 1.00 74.44 H new ATOM 0 HH21 ARG A 51 21.271 20.073 -3.288 1.00 75.22 H new ATOM 0 HH22 ARG A 51 20.529 21.609 -3.752 1.00 75.22 H new ATOM 755 N CYS A 52 16.576 14.007 1.539 1.00 53.33 N ATOM 756 CA CYS A 52 15.600 13.589 2.538 1.00 54.04 C ATOM 757 C CYS A 52 15.724 14.429 3.805 1.00 1.52 C ATOM 758 O CYS A 52 16.630 15.253 3.929 1.00 12.44 O ATOM 759 CB CYS A 52 15.786 12.108 2.874 1.00 13.21 C ATOM 760 SG CYS A 52 14.228 11.211 3.169 1.00 11.21 S ATOM 0 H CYS A 52 17.351 13.357 1.409 1.00 53.33 H new ATOM 0 HA CYS A 52 14.604 13.738 2.121 1.00 54.04 H new ATOM 0 HB2 CYS A 52 16.321 11.625 2.056 1.00 13.21 H new ATOM 0 HB3 CYS A 52 16.415 12.024 3.760 1.00 13.21 H new ATOM 765 N ALA A 53 14.808 14.214 4.743 1.00 11.45 N ATOM 766 CA ALA A 53 14.816 14.950 6.002 1.00 20.40 C ATOM 767 C ALA A 53 15.250 14.055 7.158 1.00 70.41 C ATOM 768 O ALA A 53 15.808 14.529 8.146 1.00 24.43 O ATOM 769 CB ALA A 53 13.441 15.541 6.277 1.00 62.41 C ATOM 0 H ALA A 53 14.051 13.536 4.655 1.00 11.45 H new ATOM 0 HA ALA A 53 15.537 15.762 5.915 1.00 20.40 H new ATOM 0 HB1 ALA A 53 13.462 16.088 7.220 1.00 62.41 H new ATOM 0 HB2 ALA A 53 13.169 16.221 5.469 1.00 62.41 H new ATOM 0 HB3 ALA A 53 12.706 14.739 6.339 1.00 62.41 H new ATOM 775 N ASN A 54 14.989 12.758 7.027 1.00 54.13 N ATOM 776 CA ASN A 54 15.351 11.797 8.062 1.00 64.34 C ATOM 777 C ASN A 54 16.733 11.207 7.796 1.00 2.00 C ATOM 778 O ASN A 54 17.080 10.150 8.321 1.00 30.11 O ATOM 779 CB ASN A 54 14.312 10.677 8.133 1.00 33.54 C ATOM 780 CG ASN A 54 14.386 9.901 9.435 1.00 41.33 C ATOM 781 OD1 ASN A 54 14.978 10.361 10.411 1.00 2.12 O ATOM 782 ND2 ASN A 54 13.784 8.718 9.453 1.00 31.14 N ATOM 0 H ASN A 54 14.528 12.349 6.214 1.00 54.13 H new ATOM 0 HA ASN A 54 15.376 12.321 9.017 1.00 64.34 H new ATOM 0 HB2 ASN A 54 13.315 11.103 8.023 1.00 33.54 H new ATOM 0 HB3 ASN A 54 14.461 9.994 7.297 1.00 33.54 H new ATOM 0 HD21 ASN A 54 13.800 8.150 10.300 1.00 31.14 H new ATOM 0 HD22 ASN A 54 13.305 8.377 8.620 1.00 31.14 H new ATOM 789 N GLY A 55 17.519 11.900 6.977 1.00 71.42 N ATOM 790 CA GLY A 55 18.854 11.430 6.656 1.00 71.31 C ATOM 791 C GLY A 55 19.554 12.318 5.647 1.00 5.22 C ATOM 792 O GLY A 55 20.780 12.430 5.653 1.00 74.30 O ATOM 0 H GLY A 55 17.255 12.778 6.530 1.00 71.42 H new ATOM 0 HA2 GLY A 55 19.449 11.383 7.568 1.00 71.31 H new ATOM 0 HA3 GLY A 55 18.794 10.415 6.262 1.00 71.31 H new ATOM 796 N GLY A 56 18.775 12.952 4.776 1.00 34.33 N ATOM 797 CA GLY A 56 19.346 13.825 3.768 1.00 54.12 C ATOM 798 C GLY A 56 20.303 13.097 2.845 1.00 3.34 C ATOM 799 O GLY A 56 21.486 13.430 2.779 1.00 32.11 O ATOM 0 H GLY A 56 17.758 12.876 4.751 1.00 34.33 H new ATOM 0 HA2 GLY A 56 18.543 14.268 3.178 1.00 54.12 H new ATOM 0 HA3 GLY A 56 19.871 14.645 4.257 1.00 54.12 H new ATOM 803 N GLY A 57 19.792 12.099 2.132 1.00 73.41 N ATOM 804 CA GLY A 57 20.624 11.336 1.220 1.00 41.11 C ATOM 805 C GLY A 57 19.982 10.027 0.805 1.00 14.42 C ATOM 806 O GLY A 57 18.769 9.960 0.602 1.00 43.23 O ATOM 0 H GLY A 57 18.816 11.805 2.169 1.00 73.41 H new ATOM 0 HA2 GLY A 57 20.828 11.935 0.332 1.00 41.11 H new ATOM 0 HA3 GLY A 57 21.584 11.132 1.694 1.00 41.11 H new ATOM 810 N ASP A 58 20.795 8.985 0.678 1.00 43.01 N ATOM 811 CA ASP A 58 20.299 7.672 0.284 1.00 63.52 C ATOM 812 C ASP A 58 19.375 7.096 1.353 1.00 43.43 C ATOM 813 O ASP A 58 19.830 6.665 2.413 1.00 14.40 O ATOM 814 CB ASP A 58 21.467 6.716 0.033 1.00 31.14 C ATOM 815 CG ASP A 58 22.493 6.751 1.149 1.00 60.21 C ATOM 816 OD1 ASP A 58 22.528 5.796 1.954 1.00 53.33 O ATOM 817 OD2 ASP A 58 23.262 7.732 1.217 1.00 40.25 O ATOM 0 H ASP A 58 21.801 9.024 0.842 1.00 43.01 H new ATOM 0 HA ASP A 58 19.730 7.788 -0.638 1.00 63.52 H new ATOM 0 HB2 ASP A 58 21.085 5.701 -0.074 1.00 31.14 H new ATOM 0 HB3 ASP A 58 21.950 6.976 -0.909 1.00 31.14 H new ATOM 822 N ILE A 59 18.078 7.094 1.067 1.00 53.10 N ATOM 823 CA ILE A 59 17.091 6.572 2.004 1.00 54.12 C ATOM 824 C ILE A 59 16.000 5.793 1.276 1.00 23.12 C ATOM 825 O ILE A 59 15.088 6.364 0.679 1.00 40.25 O ATOM 826 CB ILE A 59 16.439 7.702 2.823 1.00 51.14 C ATOM 827 CG1 ILE A 59 17.500 8.702 3.287 1.00 12.11 C ATOM 828 CG2 ILE A 59 15.687 7.127 4.014 1.00 4.20 C ATOM 829 CD1 ILE A 59 18.375 8.179 4.405 1.00 51.24 C ATOM 0 H ILE A 59 17.686 7.448 0.194 1.00 53.10 H new ATOM 0 HA ILE A 59 17.622 5.903 2.681 1.00 54.12 H new ATOM 0 HB ILE A 59 15.726 8.227 2.188 1.00 51.14 H new ATOM 0 HG12 ILE A 59 18.130 8.971 2.439 1.00 12.11 H new ATOM 0 HG13 ILE A 59 17.006 9.615 3.620 1.00 12.11 H new ATOM 0 HG21 ILE A 59 15.232 7.938 4.583 1.00 4.20 H new ATOM 0 HG22 ILE A 59 14.909 6.450 3.661 1.00 4.20 H new ATOM 0 HG23 ILE A 59 16.381 6.580 4.653 1.00 4.20 H new ATOM 0 HD11 ILE A 59 19.104 8.940 4.683 1.00 51.24 H new ATOM 0 HD12 ILE A 59 17.756 7.937 5.269 1.00 51.24 H new ATOM 0 HD13 ILE A 59 18.897 7.283 4.070 1.00 51.24 H new ATOM 841 N PRO A 60 16.094 4.456 1.328 1.00 72.11 N ATOM 842 CA PRO A 60 15.122 3.569 0.681 1.00 24.21 C ATOM 843 C PRO A 60 13.762 3.598 1.370 1.00 42.23 C ATOM 844 O PRO A 60 13.668 3.859 2.570 1.00 40.01 O ATOM 845 CB PRO A 60 15.761 2.184 0.817 1.00 11.32 C ATOM 846 CG PRO A 60 16.648 2.292 2.009 1.00 34.45 C ATOM 847 CD PRO A 60 17.155 3.707 2.022 1.00 12.23 C ATOM 0 HA PRO A 60 14.924 3.863 -0.350 1.00 24.21 H new ATOM 0 HB2 PRO A 60 15.005 1.411 0.955 1.00 11.32 H new ATOM 0 HB3 PRO A 60 16.328 1.920 -0.076 1.00 11.32 H new ATOM 0 HG2 PRO A 60 16.101 2.065 2.924 1.00 34.45 H new ATOM 0 HG3 PRO A 60 17.473 1.583 1.947 1.00 34.45 H new ATOM 0 HD2 PRO A 60 17.305 4.071 3.039 1.00 12.23 H new ATOM 0 HD3 PRO A 60 18.112 3.796 1.508 1.00 12.23 H new ATOM 855 N LEU A 61 12.711 3.329 0.604 1.00 52.02 N ATOM 856 CA LEU A 61 11.354 3.324 1.141 1.00 44.03 C ATOM 857 C LEU A 61 11.270 2.467 2.400 1.00 62.35 C ATOM 858 O LEU A 61 10.392 2.662 3.239 1.00 40.44 O ATOM 859 CB LEU A 61 10.371 2.806 0.090 1.00 32.41 C ATOM 860 CG LEU A 61 9.542 3.867 -0.635 1.00 64.32 C ATOM 861 CD1 LEU A 61 10.444 4.952 -1.202 1.00 40.22 C ATOM 862 CD2 LEU A 61 8.711 3.231 -1.739 1.00 74.05 C ATOM 0 H LEU A 61 12.772 3.111 -0.391 1.00 52.02 H new ATOM 0 HA LEU A 61 11.089 4.348 1.403 1.00 44.03 H new ATOM 0 HB2 LEU A 61 10.931 2.240 -0.654 1.00 32.41 H new ATOM 0 HB3 LEU A 61 9.688 2.108 0.574 1.00 32.41 H new ATOM 0 HG LEU A 61 8.864 4.326 0.084 1.00 64.32 H new ATOM 0 HD11 LEU A 61 9.837 5.699 -1.714 1.00 40.22 H new ATOM 0 HD12 LEU A 61 10.996 5.427 -0.391 1.00 40.22 H new ATOM 0 HD13 LEU A 61 11.147 4.509 -1.908 1.00 40.22 H new ATOM 0 HD21 LEU A 61 8.127 4.001 -2.244 1.00 74.05 H new ATOM 0 HD22 LEU A 61 9.371 2.746 -2.458 1.00 74.05 H new ATOM 0 HD23 LEU A 61 8.038 2.490 -1.307 1.00 74.05 H new ATOM 874 N GLY A 62 12.192 1.516 2.525 1.00 12.51 N ATOM 875 CA GLY A 62 12.205 0.645 3.685 1.00 22.14 C ATOM 876 C GLY A 62 12.713 1.345 4.930 1.00 24.43 C ATOM 877 O GLY A 62 12.234 1.088 6.034 1.00 31.02 O ATOM 0 H GLY A 62 12.929 1.334 1.844 1.00 12.51 H new ATOM 0 HA2 GLY A 62 11.197 0.273 3.867 1.00 22.14 H new ATOM 0 HA3 GLY A 62 12.833 -0.222 3.478 1.00 22.14 H new ATOM 881 N ALA A 63 13.688 2.230 4.753 1.00 4.21 N ATOM 882 CA ALA A 63 14.262 2.969 5.871 1.00 13.11 C ATOM 883 C ALA A 63 13.354 4.121 6.291 1.00 24.52 C ATOM 884 O ALA A 63 13.392 4.567 7.438 1.00 11.45 O ATOM 885 CB ALA A 63 15.644 3.490 5.506 1.00 30.12 C ATOM 0 H ALA A 63 14.097 2.453 3.846 1.00 4.21 H new ATOM 0 HA ALA A 63 14.355 2.287 6.716 1.00 13.11 H new ATOM 0 HB1 ALA A 63 16.060 4.040 6.350 1.00 30.12 H new ATOM 0 HB2 ALA A 63 16.296 2.651 5.262 1.00 30.12 H new ATOM 0 HB3 ALA A 63 15.567 4.153 4.644 1.00 30.12 H new ATOM 891 N LEU A 64 12.540 4.598 5.356 1.00 65.40 N ATOM 892 CA LEU A 64 11.623 5.698 5.629 1.00 2.52 C ATOM 893 C LEU A 64 10.264 5.175 6.081 1.00 14.11 C ATOM 894 O LEU A 64 9.313 5.942 6.237 1.00 10.11 O ATOM 895 CB LEU A 64 11.458 6.572 4.384 1.00 20.40 C ATOM 896 CG LEU A 64 12.364 7.800 4.301 1.00 45.22 C ATOM 897 CD1 LEU A 64 12.679 8.134 2.851 1.00 42.12 C ATOM 898 CD2 LEU A 64 11.716 8.989 4.995 1.00 4.22 C ATOM 0 H LEU A 64 12.497 4.240 4.402 1.00 65.40 H new ATOM 0 HA LEU A 64 12.046 6.299 6.434 1.00 2.52 H new ATOM 0 HB2 LEU A 64 11.637 5.954 3.504 1.00 20.40 H new ATOM 0 HB3 LEU A 64 10.422 6.906 4.334 1.00 20.40 H new ATOM 0 HG LEU A 64 13.300 7.572 4.812 1.00 45.22 H new ATOM 0 HD11 LEU A 64 13.325 9.011 2.812 1.00 42.12 H new ATOM 0 HD12 LEU A 64 13.186 7.289 2.385 1.00 42.12 H new ATOM 0 HD13 LEU A 64 11.752 8.342 2.316 1.00 42.12 H new ATOM 0 HD21 LEU A 64 12.375 9.854 4.926 1.00 4.22 H new ATOM 0 HD22 LEU A 64 10.765 9.218 4.513 1.00 4.22 H new ATOM 0 HD23 LEU A 64 11.542 8.748 6.044 1.00 4.22 H new ATOM 910 N ILE A 65 10.180 3.866 6.292 1.00 73.24 N ATOM 911 CA ILE A 65 8.938 3.241 6.729 1.00 14.01 C ATOM 912 C ILE A 65 8.419 3.886 8.010 1.00 25.33 C ATOM 913 O ILE A 65 9.174 4.104 8.958 1.00 22.22 O ATOM 914 CB ILE A 65 9.120 1.730 6.965 1.00 2.25 C ATOM 915 CG1 ILE A 65 9.339 1.006 5.635 1.00 14.42 C ATOM 916 CG2 ILE A 65 7.913 1.158 7.694 1.00 41.32 C ATOM 917 CD1 ILE A 65 9.617 -0.472 5.790 1.00 24.24 C ATOM 0 H ILE A 65 10.957 3.218 6.167 1.00 73.24 H new ATOM 0 HA ILE A 65 8.212 3.390 5.930 1.00 14.01 H new ATOM 0 HB ILE A 65 10.001 1.579 7.588 1.00 2.25 H new ATOM 0 HG12 ILE A 65 8.456 1.138 5.009 1.00 14.42 H new ATOM 0 HG13 ILE A 65 10.174 1.471 5.111 1.00 14.42 H new ATOM 0 HG21 ILE A 65 8.057 0.089 7.853 1.00 41.32 H new ATOM 0 HG22 ILE A 65 7.800 1.656 8.657 1.00 41.32 H new ATOM 0 HG23 ILE A 65 7.017 1.318 7.095 1.00 41.32 H new ATOM 0 HD11 ILE A 65 9.762 -0.920 4.807 1.00 24.24 H new ATOM 0 HD12 ILE A 65 10.517 -0.612 6.389 1.00 24.24 H new ATOM 0 HD13 ILE A 65 8.773 -0.951 6.286 1.00 24.24 H new ATOM 929 N LYS A 66 7.126 4.187 8.033 1.00 54.31 N ATOM 930 CA LYS A 66 6.504 4.804 9.198 1.00 14.24 C ATOM 931 C LYS A 66 5.474 3.869 9.825 1.00 40.15 C ATOM 932 O LYS A 66 4.832 4.213 10.817 1.00 31.00 O ATOM 933 CB LYS A 66 5.837 6.125 8.807 1.00 1.12 C ATOM 934 CG LYS A 66 6.773 7.094 8.104 1.00 34.34 C ATOM 935 CD LYS A 66 6.004 8.108 7.274 1.00 20.10 C ATOM 936 CE LYS A 66 5.481 7.492 5.986 1.00 74.42 C ATOM 937 NZ LYS A 66 4.003 7.629 5.866 1.00 74.51 N ATOM 0 H LYS A 66 6.487 4.013 7.257 1.00 54.31 H new ATOM 0 HA LYS A 66 7.285 5.001 9.933 1.00 14.24 H new ATOM 0 HB2 LYS A 66 4.989 5.915 8.156 1.00 1.12 H new ATOM 0 HB3 LYS A 66 5.440 6.602 9.704 1.00 1.12 H new ATOM 0 HG2 LYS A 66 7.382 7.614 8.843 1.00 34.34 H new ATOM 0 HG3 LYS A 66 7.457 6.539 7.461 1.00 34.34 H new ATOM 0 HD2 LYS A 66 5.170 8.499 7.857 1.00 20.10 H new ATOM 0 HD3 LYS A 66 6.651 8.953 7.038 1.00 20.10 H new ATOM 0 HE2 LYS A 66 5.961 7.972 5.133 1.00 74.42 H new ATOM 0 HE3 LYS A 66 5.752 6.437 5.952 1.00 74.42 H new ATOM 0 HZ1 LYS A 66 3.686 7.197 4.975 1.00 74.51 H new ATOM 0 HZ2 LYS A 66 3.544 7.149 6.666 1.00 74.51 H new ATOM 0 HZ3 LYS A 66 3.746 8.637 5.873 1.00 74.51 H new ATOM 951 N ARG A 67 5.323 2.685 9.239 1.00 2.52 N ATOM 952 CA ARG A 67 4.372 1.701 9.741 1.00 72.05 C ATOM 953 C ARG A 67 5.063 0.693 10.655 1.00 51.44 C ATOM 954 O ARG A 67 4.445 -0.263 11.120 1.00 65.51 O ATOM 955 CB ARG A 67 3.699 0.972 8.576 1.00 30.32 C ATOM 956 CG ARG A 67 2.444 0.213 8.976 1.00 12.52 C ATOM 957 CD ARG A 67 2.698 -1.284 9.053 1.00 41.24 C ATOM 958 NE ARG A 67 2.299 -1.970 7.827 1.00 63.04 N ATOM 959 CZ ARG A 67 2.393 -3.284 7.656 1.00 31.12 C ATOM 960 NH1 ARG A 67 2.869 -4.050 8.628 1.00 12.34 N ATOM 961 NH2 ARG A 67 2.009 -3.835 6.511 1.00 5.25 N ATOM 0 H ARG A 67 5.847 2.385 8.417 1.00 2.52 H new ATOM 0 HA ARG A 67 3.613 2.228 10.319 1.00 72.05 H new ATOM 0 HB2 ARG A 67 3.444 1.697 7.803 1.00 30.32 H new ATOM 0 HB3 ARG A 67 4.411 0.274 8.135 1.00 30.32 H new ATOM 0 HG2 ARG A 67 2.092 0.573 9.943 1.00 12.52 H new ATOM 0 HG3 ARG A 67 1.652 0.412 8.254 1.00 12.52 H new ATOM 0 HD2 ARG A 67 3.757 -1.463 9.241 1.00 41.24 H new ATOM 0 HD3 ARG A 67 2.150 -1.702 9.897 1.00 41.24 H new ATOM 0 HE ARG A 67 1.928 -1.409 7.060 1.00 63.04 H new ATOM 0 HH11 ARG A 67 3.164 -3.631 9.510 1.00 12.34 H new ATOM 0 HH12 ARG A 67 2.940 -5.059 8.494 1.00 12.34 H new ATOM 0 HH21 ARG A 67 1.641 -3.249 5.761 1.00 5.25 H new ATOM 0 HH22 ARG A 67 2.082 -4.844 6.381 1.00 5.25 H new ATOM 975 N GLY A 68 6.349 0.916 10.907 1.00 43.00 N ATOM 976 CA GLY A 68 7.103 0.019 11.763 1.00 2.24 C ATOM 977 C GLY A 68 7.988 0.762 12.745 1.00 52.11 C ATOM 978 O GLY A 68 9.005 0.235 13.195 1.00 0.35 O ATOM 0 H GLY A 68 6.882 1.702 10.534 1.00 43.00 H new ATOM 0 HA2 GLY A 68 6.412 -0.620 12.313 1.00 2.24 H new ATOM 0 HA3 GLY A 68 7.719 -0.635 11.146 1.00 2.24 H new TER 982 GLY A 68