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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00714 (180deg=-0.155) USER MOD Single : A 6 SER OG : rot -87:sc= 0.717 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 158:sc= -0.977 (180deg=-2.07) 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=-0.06) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 0:sc= -2.94! 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= -7.32! C(o=-7.3!,f=-13!) USER MOD Single : A 32 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.21) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0153 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 153:sc= -0.187 (180deg=-0.728) 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 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.6) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.246 -3.919 -5.572 1.00 1.30 N ATOM 2 CA MET A 1 -1.236 -2.647 -6.286 1.00 64.43 C ATOM 3 C MET A 1 -0.120 -2.617 -7.327 1.00 34.43 C ATOM 4 O MET A 1 -0.292 -2.075 -8.419 1.00 30.53 O ATOM 5 CB MET A 1 -1.064 -1.487 -5.304 1.00 22.31 C ATOM 6 CG MET A 1 -1.608 -0.166 -5.823 1.00 23.04 C ATOM 7 SD MET A 1 -2.588 0.713 -4.591 1.00 32.00 S ATOM 8 CE MET A 1 -3.684 1.661 -5.644 1.00 42.01 C ATOM 0 H1 MET A 1 -2.116 -3.993 -5.007 1.00 1.30 H new ATOM 0 H2 MET A 1 -1.210 -4.701 -6.256 1.00 1.30 H new ATOM 0 H3 MET A 1 -0.419 -3.971 -4.943 1.00 1.30 H new ATOM 0 HA MET A 1 -2.192 -2.540 -6.799 1.00 64.43 H new ATOM 0 HB2 MET A 1 -1.567 -1.735 -4.369 1.00 22.31 H new ATOM 0 HB3 MET A 1 -0.005 -1.370 -5.075 1.00 22.31 H new ATOM 0 HG2 MET A 1 -0.778 0.465 -6.139 1.00 23.04 H new ATOM 0 HG3 MET A 1 -2.221 -0.351 -6.705 1.00 23.04 H new ATOM 0 HE1 MET A 1 -4.354 2.259 -5.027 1.00 42.01 H new ATOM 0 HE2 MET A 1 -3.095 2.319 -6.283 1.00 42.01 H new ATOM 0 HE3 MET A 1 -4.270 0.982 -6.264 1.00 42.01 H new ATOM 18 N ASP A 2 1.021 -3.202 -6.981 1.00 21.04 N ATOM 19 CA ASP A 2 2.164 -3.243 -7.885 1.00 42.32 C ATOM 20 C ASP A 2 3.279 -4.112 -7.313 1.00 25.12 C ATOM 21 O ASP A 2 3.098 -4.780 -6.295 1.00 21.34 O ATOM 22 CB ASP A 2 2.686 -1.829 -8.146 1.00 52.22 C ATOM 23 CG ASP A 2 2.731 -1.492 -9.624 1.00 13.24 C ATOM 24 OD1 ASP A 2 3.756 -0.940 -10.076 1.00 0.13 O ATOM 25 OD2 ASP A 2 1.741 -1.781 -10.328 1.00 0.41 O ATOM 0 H ASP A 2 1.179 -3.655 -6.081 1.00 21.04 H new ATOM 0 HA ASP A 2 1.834 -3.680 -8.827 1.00 42.32 H new ATOM 0 HB2 ASP A 2 2.050 -1.109 -7.631 1.00 52.22 H new ATOM 0 HB3 ASP A 2 3.686 -1.730 -7.723 1.00 52.22 H new ATOM 30 N ILE A 3 4.432 -4.099 -7.975 1.00 14.15 N ATOM 31 CA ILE A 3 5.576 -4.886 -7.531 1.00 54.02 C ATOM 32 C ILE A 3 6.585 -4.018 -6.787 1.00 70.14 C ATOM 33 O ILE A 3 6.545 -2.791 -6.871 1.00 54.54 O ATOM 34 CB ILE A 3 6.280 -5.572 -8.717 1.00 2.05 C ATOM 35 CG1 ILE A 3 5.265 -5.929 -9.804 1.00 41.34 C ATOM 36 CG2 ILE A 3 7.019 -6.816 -8.246 1.00 2.34 C ATOM 37 CD1 ILE A 3 5.883 -6.601 -11.010 1.00 50.04 C ATOM 0 H ILE A 3 4.598 -3.552 -8.820 1.00 14.15 H new ATOM 0 HA ILE A 3 5.191 -5.650 -6.856 1.00 54.02 H new ATOM 0 HB ILE A 3 7.007 -4.878 -9.139 1.00 2.05 H new ATOM 0 HG12 ILE A 3 4.507 -6.587 -9.380 1.00 41.34 H new ATOM 0 HG13 ILE A 3 4.755 -5.021 -10.126 1.00 41.34 H new ATOM 0 HG21 ILE A 3 7.511 -7.290 -9.095 1.00 2.34 H new ATOM 0 HG22 ILE A 3 7.766 -6.536 -7.503 1.00 2.34 H new ATOM 0 HG23 ILE A 3 6.310 -7.514 -7.802 1.00 2.34 H new ATOM 0 HD11 ILE A 3 5.105 -6.825 -11.740 1.00 50.04 H new ATOM 0 HD12 ILE A 3 6.621 -5.936 -11.459 1.00 50.04 H new ATOM 0 HD13 ILE A 3 6.369 -7.527 -10.702 1.00 50.04 H new ATOM 49 N ASP A 4 7.490 -4.664 -6.061 1.00 65.12 N ATOM 50 CA ASP A 4 8.513 -3.952 -5.304 1.00 44.34 C ATOM 51 C ASP A 4 9.888 -4.140 -5.938 1.00 62.20 C ATOM 52 O ASP A 4 10.867 -3.522 -5.518 1.00 71.40 O ATOM 53 CB ASP A 4 8.536 -4.437 -3.854 1.00 53.01 C ATOM 54 CG ASP A 4 9.263 -3.477 -2.933 1.00 41.15 C ATOM 55 OD1 ASP A 4 9.459 -2.309 -3.329 1.00 44.43 O ATOM 56 OD2 ASP A 4 9.635 -3.894 -1.817 1.00 3.52 O ATOM 0 H ASP A 4 7.536 -5.680 -5.980 1.00 65.12 H new ATOM 0 HA ASP A 4 8.267 -2.890 -5.320 1.00 44.34 H new ATOM 0 HB2 ASP A 4 7.513 -4.569 -3.502 1.00 53.01 H new ATOM 0 HB3 ASP A 4 9.017 -5.414 -3.808 1.00 53.01 H new ATOM 61 N PHE A 5 9.955 -4.998 -6.951 1.00 32.45 N ATOM 62 CA PHE A 5 11.210 -5.270 -7.641 1.00 61.10 C ATOM 63 C PHE A 5 11.456 -4.246 -8.745 1.00 44.00 C ATOM 64 O PHE A 5 12.539 -3.668 -8.840 1.00 61.34 O ATOM 65 CB PHE A 5 11.196 -6.681 -8.233 1.00 22.24 C ATOM 66 CG PHE A 5 12.369 -6.968 -9.126 1.00 70.10 C ATOM 67 CD1 PHE A 5 12.189 -7.164 -10.486 1.00 3.12 C ATOM 68 CD2 PHE A 5 13.651 -7.043 -8.606 1.00 1.31 C ATOM 69 CE1 PHE A 5 13.266 -7.428 -11.311 1.00 5.21 C ATOM 70 CE2 PHE A 5 14.732 -7.306 -9.426 1.00 11.10 C ATOM 71 CZ PHE A 5 14.539 -7.500 -10.780 1.00 3.11 C ATOM 0 H PHE A 5 9.154 -5.517 -7.312 1.00 32.45 H new ATOM 0 HA PHE A 5 12.019 -5.197 -6.914 1.00 61.10 H new ATOM 0 HB2 PHE A 5 11.182 -7.407 -7.420 1.00 22.24 H new ATOM 0 HB3 PHE A 5 10.275 -6.819 -8.800 1.00 22.24 H new ATOM 0 HD1 PHE A 5 11.196 -7.110 -10.906 1.00 3.12 H new ATOM 0 HD2 PHE A 5 13.807 -6.894 -7.548 1.00 1.31 H new ATOM 0 HE1 PHE A 5 13.112 -7.578 -12.369 1.00 5.21 H new ATOM 0 HE2 PHE A 5 15.727 -7.360 -9.009 1.00 11.10 H new ATOM 0 HZ PHE A 5 15.382 -7.708 -11.422 1.00 3.11 H new ATOM 81 N SER A 6 10.444 -4.027 -9.577 1.00 75.15 N ATOM 82 CA SER A 6 10.550 -3.076 -10.678 1.00 24.40 C ATOM 83 C SER A 6 10.081 -1.690 -10.246 1.00 61.41 C ATOM 84 O SER A 6 8.902 -1.482 -9.958 1.00 30.20 O ATOM 85 CB SER A 6 9.728 -3.556 -11.876 1.00 14.55 C ATOM 86 OG SER A 6 9.642 -4.970 -11.902 1.00 55.20 O ATOM 0 H SER A 6 9.540 -4.495 -9.510 1.00 75.15 H new ATOM 0 HA SER A 6 11.598 -3.011 -10.969 1.00 24.40 H new ATOM 0 HB2 SER A 6 8.726 -3.128 -11.828 1.00 14.55 H new ATOM 0 HB3 SER A 6 10.183 -3.199 -12.800 1.00 14.55 H new ATOM 0 HG SER A 6 10.413 -5.336 -12.384 1.00 55.20 H new ATOM 92 N THR A 7 11.013 -0.744 -10.203 1.00 44.51 N ATOM 93 CA THR A 7 10.698 0.623 -9.806 1.00 35.44 C ATOM 94 C THR A 7 11.620 1.623 -10.493 1.00 23.52 C ATOM 95 O THR A 7 11.743 2.769 -10.060 1.00 22.31 O ATOM 96 CB THR A 7 10.808 0.804 -8.280 1.00 24.41 C ATOM 97 OG1 THR A 7 11.689 -0.184 -7.732 1.00 73.11 O ATOM 98 CG2 THR A 7 9.442 0.693 -7.621 1.00 54.32 C ATOM 0 H THR A 7 11.993 -0.899 -10.438 1.00 44.51 H new ATOM 0 HA THR A 7 9.670 0.812 -10.114 1.00 35.44 H new ATOM 0 HB THR A 7 11.209 1.798 -8.083 1.00 24.41 H new ATOM 0 HG1 THR A 7 11.755 -0.061 -6.762 1.00 73.11 H new ATOM 0 HG21 THR A 7 9.546 0.824 -6.544 1.00 54.32 H new ATOM 0 HG22 THR A 7 8.782 1.464 -8.019 1.00 54.32 H new ATOM 0 HG23 THR A 7 9.017 -0.289 -7.827 1.00 54.32 H new ATOM 106 N CYS A 8 12.267 1.182 -11.567 1.00 3.23 N ATOM 107 CA CYS A 8 13.180 2.039 -12.315 1.00 75.51 C ATOM 108 C CYS A 8 12.967 1.878 -13.818 1.00 31.04 C ATOM 109 O CYS A 8 12.452 0.859 -14.277 1.00 24.34 O ATOM 110 CB CYS A 8 14.630 1.711 -11.956 1.00 62.42 C ATOM 111 SG CYS A 8 15.805 3.058 -12.305 1.00 3.31 S ATOM 0 H CYS A 8 12.176 0.237 -11.939 1.00 3.23 H new ATOM 0 HA CYS A 8 12.972 3.074 -12.045 1.00 75.51 H new ATOM 0 HB2 CYS A 8 14.683 1.462 -10.896 1.00 62.42 H new ATOM 0 HB3 CYS A 8 14.938 0.823 -12.508 1.00 62.42 H new ATOM 116 N ALA A 9 13.367 2.892 -14.578 1.00 30.01 N ATOM 117 CA ALA A 9 13.223 2.863 -16.028 1.00 73.20 C ATOM 118 C ALA A 9 14.186 1.861 -16.655 1.00 74.45 C ATOM 119 O ALA A 9 14.091 1.555 -17.844 1.00 73.12 O ATOM 120 CB ALA A 9 13.450 4.251 -16.609 1.00 33.40 C ATOM 0 H ALA A 9 13.793 3.744 -14.213 1.00 30.01 H new ATOM 0 HA ALA A 9 12.207 2.545 -16.261 1.00 73.20 H new ATOM 0 HB1 ALA A 9 13.339 4.214 -17.693 1.00 33.40 H new ATOM 0 HB2 ALA A 9 12.719 4.944 -16.193 1.00 33.40 H new ATOM 0 HB3 ALA A 9 14.455 4.591 -16.358 1.00 33.40 H new ATOM 126 N ARG A 10 15.112 1.353 -15.849 1.00 44.14 N ATOM 127 CA ARG A 10 16.094 0.387 -16.327 1.00 20.32 C ATOM 128 C ARG A 10 15.595 -1.041 -16.123 1.00 41.11 C ATOM 129 O ARG A 10 16.388 -1.976 -16.016 1.00 74.44 O ATOM 130 CB ARG A 10 17.427 0.581 -15.602 1.00 31.14 C ATOM 131 CG ARG A 10 17.910 2.022 -15.590 1.00 53.11 C ATOM 132 CD ARG A 10 18.166 2.535 -16.999 1.00 11.05 C ATOM 133 NE ARG A 10 19.511 3.085 -17.144 1.00 51.15 N ATOM 134 CZ ARG A 10 19.944 3.684 -18.248 1.00 41.11 C ATOM 135 NH1 ARG A 10 19.142 3.810 -19.296 1.00 43.04 N ATOM 136 NH2 ARG A 10 21.182 4.159 -18.304 1.00 52.24 N ATOM 0 H ARG A 10 15.203 1.594 -14.862 1.00 44.14 H new ATOM 0 HA ARG A 10 16.241 0.554 -17.394 1.00 20.32 H new ATOM 0 HB2 ARG A 10 17.326 0.232 -14.574 1.00 31.14 H new ATOM 0 HB3 ARG A 10 18.184 -0.043 -16.078 1.00 31.14 H new ATOM 0 HG2 ARG A 10 17.167 2.652 -15.102 1.00 53.11 H new ATOM 0 HG3 ARG A 10 18.825 2.095 -15.003 1.00 53.11 H new ATOM 0 HD2 ARG A 10 18.028 1.722 -17.712 1.00 11.05 H new ATOM 0 HD3 ARG A 10 17.432 3.302 -17.245 1.00 11.05 H new ATOM 0 HE ARG A 10 20.153 3.005 -16.355 1.00 51.15 H new ATOM 0 HH11 ARG A 10 18.190 3.447 -19.256 1.00 43.04 H new ATOM 0 HH12 ARG A 10 19.477 4.270 -20.142 1.00 43.04 H new ATOM 0 HH21 ARG A 10 21.801 4.064 -17.499 1.00 52.24 H new ATOM 0 HH22 ARG A 10 21.514 4.619 -19.152 1.00 52.24 H new ATOM 150 N MET A 11 14.277 -1.200 -16.070 1.00 13.54 N ATOM 151 CA MET A 11 13.673 -2.513 -15.879 1.00 75.12 C ATOM 152 C MET A 11 13.224 -3.103 -17.212 1.00 72.43 C ATOM 153 O MET A 11 13.477 -2.530 -18.272 1.00 72.41 O ATOM 154 CB MET A 11 12.481 -2.417 -14.924 1.00 43.41 C ATOM 155 CG MET A 11 12.740 -3.045 -13.564 1.00 43.43 C ATOM 156 SD MET A 11 12.402 -4.815 -13.541 1.00 72.42 S ATOM 157 CE MET A 11 13.940 -5.463 -14.191 1.00 41.34 C ATOM 0 H MET A 11 13.607 -0.436 -16.157 1.00 13.54 H new ATOM 0 HA MET A 11 14.425 -3.171 -15.444 1.00 75.12 H new ATOM 0 HB2 MET A 11 12.219 -1.368 -14.787 1.00 43.41 H new ATOM 0 HB3 MET A 11 11.619 -2.903 -15.381 1.00 43.41 H new ATOM 0 HG2 MET A 11 13.779 -2.874 -13.281 1.00 43.43 H new ATOM 0 HG3 MET A 11 12.120 -2.551 -12.816 1.00 43.43 H new ATOM 0 HE1 MET A 11 14.054 -6.503 -13.887 1.00 41.34 H new ATOM 0 HE2 MET A 11 13.929 -5.402 -15.279 1.00 41.34 H new ATOM 0 HE3 MET A 11 14.774 -4.878 -13.803 1.00 41.34 H new ATOM 167 N ASP A 12 12.558 -4.251 -17.152 1.00 34.15 N ATOM 168 CA ASP A 12 12.073 -4.918 -18.354 1.00 61.52 C ATOM 169 C ASP A 12 10.973 -4.101 -19.023 1.00 53.04 C ATOM 170 O ASP A 12 10.651 -4.313 -20.193 1.00 32.44 O ATOM 171 CB ASP A 12 11.552 -6.315 -18.013 1.00 61.53 C ATOM 172 CG ASP A 12 12.081 -7.377 -18.958 1.00 32.02 C ATOM 173 OD1 ASP A 12 11.470 -7.577 -20.029 1.00 15.44 O ATOM 174 OD2 ASP A 12 13.106 -8.008 -18.627 1.00 4.44 O ATOM 0 H ASP A 12 12.342 -4.739 -16.283 1.00 34.15 H new ATOM 0 HA ASP A 12 12.907 -5.009 -19.050 1.00 61.52 H new ATOM 0 HB2 ASP A 12 11.838 -6.567 -16.992 1.00 61.53 H new ATOM 0 HB3 ASP A 12 10.463 -6.312 -18.048 1.00 61.53 H new ATOM 179 N VAL A 13 10.398 -3.166 -18.274 1.00 10.24 N ATOM 180 CA VAL A 13 9.333 -2.316 -18.794 1.00 24.21 C ATOM 181 C VAL A 13 9.799 -0.870 -18.925 1.00 34.34 C ATOM 182 O VAL A 13 9.484 -0.014 -18.098 1.00 53.43 O ATOM 183 CB VAL A 13 8.086 -2.363 -17.891 1.00 62.13 C ATOM 184 CG1 VAL A 13 7.301 -3.644 -18.131 1.00 41.42 C ATOM 185 CG2 VAL A 13 8.483 -2.237 -16.428 1.00 70.41 C ATOM 0 H VAL A 13 10.652 -2.978 -17.304 1.00 10.24 H new ATOM 0 HA VAL A 13 9.073 -2.701 -19.780 1.00 24.21 H new ATOM 0 HB VAL A 13 7.444 -1.519 -18.143 1.00 62.13 H new ATOM 0 HG11 VAL A 13 6.424 -3.660 -17.484 1.00 41.42 H new ATOM 0 HG12 VAL A 13 6.985 -3.687 -19.173 1.00 41.42 H new ATOM 0 HG13 VAL A 13 7.932 -4.504 -17.908 1.00 41.42 H new ATOM 0 HG21 VAL A 13 7.590 -2.272 -15.804 1.00 70.41 H new ATOM 0 HG22 VAL A 13 9.146 -3.059 -16.159 1.00 70.41 H new ATOM 0 HG23 VAL A 13 8.998 -1.289 -16.271 1.00 70.41 H new ATOM 195 N PRO A 14 10.567 -0.590 -19.988 1.00 15.41 N ATOM 196 CA PRO A 14 11.091 0.753 -20.253 1.00 41.22 C ATOM 197 C PRO A 14 9.997 1.733 -20.662 1.00 35.10 C ATOM 198 O PRO A 14 10.237 2.936 -20.773 1.00 32.52 O ATOM 199 CB PRO A 14 12.068 0.530 -21.410 1.00 44.10 C ATOM 200 CG PRO A 14 11.573 -0.698 -22.093 1.00 2.13 C ATOM 201 CD PRO A 14 10.981 -1.562 -21.013 1.00 43.44 C ATOM 0 HA PRO A 14 11.550 1.193 -19.368 1.00 41.22 H new ATOM 0 HB2 PRO A 14 12.079 1.383 -22.088 1.00 44.10 H new ATOM 0 HB3 PRO A 14 13.087 0.398 -21.047 1.00 44.10 H new ATOM 0 HG2 PRO A 14 10.827 -0.451 -22.848 1.00 2.13 H new ATOM 0 HG3 PRO A 14 12.385 -1.214 -22.605 1.00 2.13 H new ATOM 0 HD2 PRO A 14 10.135 -2.143 -21.381 1.00 43.44 H new ATOM 0 HD3 PRO A 14 11.709 -2.273 -20.622 1.00 43.44 H new ATOM 209 N ILE A 15 8.795 1.211 -20.884 1.00 51.24 N ATOM 210 CA ILE A 15 7.664 2.041 -21.279 1.00 55.13 C ATOM 211 C ILE A 15 7.496 3.227 -20.336 1.00 11.23 C ATOM 212 O ILE A 15 7.177 3.058 -19.158 1.00 75.32 O ATOM 213 CB ILE A 15 6.354 1.231 -21.306 1.00 13.52 C ATOM 214 CG1 ILE A 15 6.480 0.046 -22.265 1.00 44.42 C ATOM 215 CG2 ILE A 15 5.188 2.123 -21.707 1.00 61.15 C ATOM 216 CD1 ILE A 15 6.030 -1.267 -21.665 1.00 65.45 C ATOM 0 H ILE A 15 8.580 0.218 -20.797 1.00 51.24 H new ATOM 0 HA ILE A 15 7.877 2.407 -22.284 1.00 55.13 H new ATOM 0 HB ILE A 15 6.163 0.844 -20.305 1.00 13.52 H new ATOM 0 HG12 ILE A 15 5.891 0.248 -23.159 1.00 44.42 H new ATOM 0 HG13 ILE A 15 7.519 -0.046 -22.582 1.00 44.42 H new ATOM 0 HG21 ILE A 15 4.269 1.536 -21.722 1.00 61.15 H new ATOM 0 HG22 ILE A 15 5.088 2.936 -20.988 1.00 61.15 H new ATOM 0 HG23 ILE A 15 5.370 2.536 -22.699 1.00 61.15 H new ATOM 0 HD11 ILE A 15 6.147 -2.062 -22.401 1.00 65.45 H new ATOM 0 HD12 ILE A 15 6.636 -1.493 -20.787 1.00 65.45 H new ATOM 0 HD13 ILE A 15 4.982 -1.194 -21.374 1.00 65.45 H new ATOM 228 N LEU A 16 7.712 4.428 -20.860 1.00 54.43 N ATOM 229 CA LEU A 16 7.583 5.645 -20.065 1.00 73.25 C ATOM 230 C LEU A 16 8.573 5.645 -18.905 1.00 72.32 C ATOM 231 O LEU A 16 8.212 5.345 -17.767 1.00 22.32 O ATOM 232 CB LEU A 16 6.155 5.780 -19.533 1.00 2.53 C ATOM 233 CG LEU A 16 5.220 6.682 -20.340 1.00 5.34 C ATOM 234 CD1 LEU A 16 3.818 6.095 -20.383 1.00 64.15 C ATOM 235 CD2 LEU A 16 5.195 8.086 -19.752 1.00 34.31 C ATOM 0 H LEU A 16 7.977 4.586 -21.832 1.00 54.43 H new ATOM 0 HA LEU A 16 7.807 6.496 -20.708 1.00 73.25 H new ATOM 0 HB2 LEU A 16 5.712 4.785 -19.481 1.00 2.53 H new ATOM 0 HB3 LEU A 16 6.203 6.161 -18.513 1.00 2.53 H new ATOM 0 HG LEU A 16 5.597 6.744 -21.361 1.00 5.34 H new ATOM 0 HD11 LEU A 16 3.167 6.750 -20.961 1.00 64.15 H new ATOM 0 HD12 LEU A 16 3.850 5.111 -20.850 1.00 64.15 H new ATOM 0 HD13 LEU A 16 3.431 6.003 -19.368 1.00 64.15 H new ATOM 0 HD21 LEU A 16 4.525 8.714 -20.339 1.00 34.31 H new ATOM 0 HD22 LEU A 16 4.843 8.043 -18.721 1.00 34.31 H new ATOM 0 HD23 LEU A 16 6.200 8.508 -19.774 1.00 34.31 H new ATOM 247 N LYS A 17 9.823 5.985 -19.201 1.00 13.12 N ATOM 248 CA LYS A 17 10.866 6.028 -18.183 1.00 14.23 C ATOM 249 C LYS A 17 10.477 6.967 -17.045 1.00 32.20 C ATOM 250 O LYS A 17 10.737 6.683 -15.876 1.00 2.05 O ATOM 251 CB LYS A 17 12.191 6.480 -18.800 1.00 62.41 C ATOM 252 CG LYS A 17 12.579 5.701 -20.045 1.00 31.40 C ATOM 253 CD LYS A 17 14.030 5.252 -19.993 1.00 34.44 C ATOM 254 CE LYS A 17 14.317 4.172 -21.025 1.00 54.32 C ATOM 255 NZ LYS A 17 15.086 4.704 -22.184 1.00 53.12 N ATOM 0 H LYS A 17 10.138 6.235 -20.138 1.00 13.12 H new ATOM 0 HA LYS A 17 10.985 5.023 -17.778 1.00 14.23 H new ATOM 0 HB2 LYS A 17 12.123 7.539 -19.050 1.00 62.41 H new ATOM 0 HB3 LYS A 17 12.982 6.378 -18.057 1.00 62.41 H new ATOM 0 HG2 LYS A 17 11.931 4.830 -20.147 1.00 31.40 H new ATOM 0 HG3 LYS A 17 12.421 6.321 -20.927 1.00 31.40 H new ATOM 0 HD2 LYS A 17 14.683 6.107 -20.168 1.00 34.44 H new ATOM 0 HD3 LYS A 17 14.260 4.875 -18.997 1.00 34.44 H new ATOM 0 HE2 LYS A 17 14.878 3.363 -20.558 1.00 54.32 H new ATOM 0 HE3 LYS A 17 13.377 3.747 -21.377 1.00 54.32 H new ATOM 0 HZ1 LYS A 17 15.262 3.938 -22.865 1.00 53.12 H new ATOM 0 HZ2 LYS A 17 14.540 5.459 -22.646 1.00 53.12 H new ATOM 0 HZ3 LYS A 17 15.994 5.087 -21.852 1.00 53.12 H new ATOM 269 N LYS A 18 9.851 8.085 -17.395 1.00 11.54 N ATOM 270 CA LYS A 18 9.423 9.065 -16.403 1.00 41.32 C ATOM 271 C LYS A 18 8.526 8.420 -15.352 1.00 23.42 C ATOM 272 O LYS A 18 8.590 8.764 -14.172 1.00 62.40 O ATOM 273 CB LYS A 18 8.681 10.219 -17.083 1.00 24.42 C ATOM 274 CG LYS A 18 9.176 11.592 -16.663 1.00 23.34 C ATOM 275 CD LYS A 18 8.781 12.659 -17.669 1.00 64.05 C ATOM 276 CE LYS A 18 9.127 14.053 -17.169 1.00 22.14 C ATOM 277 NZ LYS A 18 7.963 14.978 -17.255 1.00 23.21 N ATOM 0 H LYS A 18 9.628 8.336 -18.358 1.00 11.54 H new ATOM 0 HA LYS A 18 10.312 9.454 -15.907 1.00 41.32 H new ATOM 0 HB2 LYS A 18 8.784 10.120 -18.164 1.00 24.42 H new ATOM 0 HB3 LYS A 18 7.618 10.140 -16.856 1.00 24.42 H new ATOM 0 HG2 LYS A 18 8.767 11.844 -15.685 1.00 23.34 H new ATOM 0 HG3 LYS A 18 10.261 11.572 -16.559 1.00 23.34 H new ATOM 0 HD2 LYS A 18 9.290 12.474 -18.615 1.00 64.05 H new ATOM 0 HD3 LYS A 18 7.711 12.597 -17.865 1.00 64.05 H new ATOM 0 HE2 LYS A 18 9.468 13.994 -16.135 1.00 22.14 H new ATOM 0 HE3 LYS A 18 9.954 14.454 -17.755 1.00 22.14 H new ATOM 0 HZ1 LYS A 18 8.240 15.917 -16.905 1.00 23.21 H new ATOM 0 HZ2 LYS A 18 7.653 15.055 -18.245 1.00 23.21 H new ATOM 0 HZ3 LYS A 18 7.182 14.609 -16.675 1.00 23.21 H new ATOM 291 N ALA A 19 7.692 7.481 -15.788 1.00 1.33 N ATOM 292 CA ALA A 19 6.785 6.785 -14.883 1.00 44.32 C ATOM 293 C ALA A 19 7.558 5.974 -13.849 1.00 33.05 C ATOM 294 O ALA A 19 7.247 6.012 -12.658 1.00 61.04 O ATOM 295 CB ALA A 19 5.845 5.883 -15.669 1.00 42.52 C ATOM 0 H ALA A 19 7.626 7.185 -16.762 1.00 1.33 H new ATOM 0 HA ALA A 19 6.195 7.533 -14.353 1.00 44.32 H new ATOM 0 HB1 ALA A 19 5.173 5.370 -14.981 1.00 42.52 H new ATOM 0 HB2 ALA A 19 5.261 6.485 -16.365 1.00 42.52 H new ATOM 0 HB3 ALA A 19 6.427 5.148 -16.225 1.00 42.52 H new ATOM 301 N ALA A 20 8.565 5.240 -14.310 1.00 52.14 N ATOM 302 CA ALA A 20 9.382 4.421 -13.424 1.00 61.43 C ATOM 303 C ALA A 20 10.067 5.275 -12.363 1.00 30.11 C ATOM 304 O ALA A 20 10.061 4.934 -11.181 1.00 32.34 O ATOM 305 CB ALA A 20 10.415 3.644 -14.227 1.00 43.22 C ATOM 0 H ALA A 20 8.835 5.196 -15.293 1.00 52.14 H new ATOM 0 HA ALA A 20 8.726 3.714 -12.916 1.00 61.43 H new ATOM 0 HB1 ALA A 20 11.018 3.036 -13.552 1.00 43.22 H new ATOM 0 HB2 ALA A 20 9.908 2.997 -14.943 1.00 43.22 H new ATOM 0 HB3 ALA A 20 11.060 4.341 -14.762 1.00 43.22 H new ATOM 311 N GLN A 21 10.657 6.385 -12.794 1.00 13.43 N ATOM 312 CA GLN A 21 11.347 7.287 -11.879 1.00 42.12 C ATOM 313 C GLN A 21 10.375 7.887 -10.869 1.00 0.11 C ATOM 314 O GLN A 21 10.750 8.194 -9.738 1.00 41.12 O ATOM 315 CB GLN A 21 12.044 8.403 -12.659 1.00 41.23 C ATOM 316 CG GLN A 21 13.548 8.214 -12.779 1.00 12.51 C ATOM 317 CD GLN A 21 14.159 9.076 -13.866 1.00 44.01 C ATOM 318 OE1 GLN A 21 13.752 9.014 -15.026 1.00 73.13 O ATOM 319 NE2 GLN A 21 15.144 9.887 -13.496 1.00 34.23 N ATOM 0 H GLN A 21 10.671 6.681 -13.770 1.00 13.43 H new ATOM 0 HA GLN A 21 12.096 6.710 -11.336 1.00 42.12 H new ATOM 0 HB2 GLN A 21 11.613 8.461 -13.658 1.00 41.23 H new ATOM 0 HB3 GLN A 21 11.844 9.356 -12.170 1.00 41.23 H new ATOM 0 HG2 GLN A 21 14.018 8.452 -11.825 1.00 12.51 H new ATOM 0 HG3 GLN A 21 13.763 7.166 -12.988 1.00 12.51 H new ATOM 0 HE21 GLN A 21 15.450 9.907 -12.523 1.00 34.23 H new ATOM 0 HE22 GLN A 21 15.594 10.490 -14.185 1.00 34.23 H new ATOM 328 N GLY A 22 9.123 8.052 -11.285 1.00 41.13 N ATOM 329 CA GLY A 22 8.117 8.616 -10.405 1.00 35.53 C ATOM 330 C GLY A 22 7.998 7.856 -9.099 1.00 20.55 C ATOM 331 O GLY A 22 7.637 8.428 -8.069 1.00 64.31 O ATOM 0 H GLY A 22 8.788 7.805 -12.216 1.00 41.13 H new ATOM 0 HA2 GLY A 22 8.364 9.657 -10.195 1.00 35.53 H new ATOM 0 HA3 GLY A 22 7.152 8.614 -10.912 1.00 35.53 H new ATOM 335 N LEU A 23 8.300 6.563 -9.139 1.00 23.42 N ATOM 336 CA LEU A 23 8.224 5.722 -7.949 1.00 64.31 C ATOM 337 C LEU A 23 9.369 6.031 -6.989 1.00 52.45 C ATOM 338 O LEU A 23 9.512 5.388 -5.949 1.00 43.32 O ATOM 339 CB LEU A 23 8.259 4.244 -8.342 1.00 70.21 C ATOM 340 CG LEU A 23 7.270 3.814 -9.427 1.00 5.32 C ATOM 341 CD1 LEU A 23 7.218 2.298 -9.531 1.00 12.01 C ATOM 342 CD2 LEU A 23 5.887 4.380 -9.141 1.00 72.44 C ATOM 0 H LEU A 23 8.600 6.074 -9.982 1.00 23.42 H new ATOM 0 HA LEU A 23 7.282 5.936 -7.443 1.00 64.31 H new ATOM 0 HB2 LEU A 23 9.267 4.003 -8.681 1.00 70.21 H new ATOM 0 HB3 LEU A 23 8.071 3.647 -7.450 1.00 70.21 H new ATOM 0 HG LEU A 23 7.612 4.211 -10.383 1.00 5.32 H new ATOM 0 HD11 LEU A 23 6.509 2.011 -10.308 1.00 12.01 H new ATOM 0 HD12 LEU A 23 8.207 1.916 -9.783 1.00 12.01 H new ATOM 0 HD13 LEU A 23 6.900 1.879 -8.577 1.00 12.01 H new ATOM 0 HD21 LEU A 23 5.196 4.064 -9.923 1.00 72.44 H new ATOM 0 HD22 LEU A 23 5.536 4.013 -8.176 1.00 72.44 H new ATOM 0 HD23 LEU A 23 5.937 5.469 -9.119 1.00 72.44 H new ATOM 354 N CYS A 24 10.180 7.022 -7.345 1.00 23.14 N ATOM 355 CA CYS A 24 11.311 7.419 -6.515 1.00 43.31 C ATOM 356 C CYS A 24 11.198 8.885 -6.107 1.00 11.32 C ATOM 357 O CYS A 24 11.279 9.219 -4.924 1.00 73.32 O ATOM 358 CB CYS A 24 12.626 7.187 -7.263 1.00 33.01 C ATOM 359 SG CYS A 24 13.768 6.045 -6.421 1.00 62.43 S ATOM 0 H CYS A 24 10.075 7.564 -8.202 1.00 23.14 H new ATOM 0 HA CYS A 24 11.300 6.807 -5.613 1.00 43.31 H new ATOM 0 HB2 CYS A 24 12.403 6.795 -8.255 1.00 33.01 H new ATOM 0 HB3 CYS A 24 13.126 8.145 -7.404 1.00 33.01 H new ATOM 364 N ILE A 25 11.010 9.755 -7.093 1.00 42.52 N ATOM 365 CA ILE A 25 10.884 11.185 -6.837 1.00 24.24 C ATOM 366 C ILE A 25 9.614 11.493 -6.052 1.00 33.43 C ATOM 367 O ILE A 25 9.642 12.232 -5.067 1.00 71.12 O ATOM 368 CB ILE A 25 10.873 11.993 -8.147 1.00 41.24 C ATOM 369 CG1 ILE A 25 12.168 11.758 -8.928 1.00 51.41 C ATOM 370 CG2 ILE A 25 10.686 13.474 -7.855 1.00 10.44 C ATOM 371 CD1 ILE A 25 12.056 10.667 -9.969 1.00 61.05 C ATOM 0 H ILE A 25 10.941 9.495 -8.077 1.00 42.52 H new ATOM 0 HA ILE A 25 11.753 11.477 -6.247 1.00 24.24 H new ATOM 0 HB ILE A 25 10.036 11.655 -8.758 1.00 41.24 H new ATOM 0 HG12 ILE A 25 12.461 12.687 -9.417 1.00 51.41 H new ATOM 0 HG13 ILE A 25 12.963 11.501 -8.228 1.00 51.41 H new ATOM 0 HG21 ILE A 25 10.680 14.032 -8.792 1.00 10.44 H new ATOM 0 HG22 ILE A 25 9.739 13.626 -7.337 1.00 10.44 H new ATOM 0 HG23 ILE A 25 11.504 13.827 -7.227 1.00 10.44 H new ATOM 0 HD11 ILE A 25 13.011 10.555 -10.483 1.00 61.05 H new ATOM 0 HD12 ILE A 25 11.793 9.727 -9.484 1.00 61.05 H new ATOM 0 HD13 ILE A 25 11.284 10.931 -10.691 1.00 61.05 H new ATOM 383 N THR A 26 8.498 10.919 -6.493 1.00 24.11 N ATOM 384 CA THR A 26 7.217 11.131 -5.832 1.00 31.10 C ATOM 385 C THR A 26 7.126 10.329 -4.538 1.00 42.45 C ATOM 386 O THR A 26 6.568 10.796 -3.546 1.00 15.02 O ATOM 387 CB THR A 26 6.041 10.741 -6.748 1.00 23.03 C ATOM 388 OG1 THR A 26 5.311 11.911 -7.132 1.00 51.03 O ATOM 389 CG2 THR A 26 5.110 9.763 -6.046 1.00 42.54 C ATOM 0 H THR A 26 8.456 10.304 -7.305 1.00 24.11 H new ATOM 0 HA THR A 26 7.152 12.195 -5.602 1.00 31.10 H new ATOM 0 HB THR A 26 6.446 10.258 -7.637 1.00 23.03 H new ATOM 0 HG1 THR A 26 4.566 11.655 -7.715 1.00 51.03 H new ATOM 0 HG21 THR A 26 4.287 9.502 -6.712 1.00 42.54 H new ATOM 0 HG22 THR A 26 5.662 8.861 -5.781 1.00 42.54 H new ATOM 0 HG23 THR A 26 4.713 10.224 -5.142 1.00 42.54 H new ATOM 397 N SER A 27 7.679 9.121 -4.556 1.00 65.04 N ATOM 398 CA SER A 27 7.658 8.253 -3.385 1.00 20.11 C ATOM 399 C SER A 27 8.369 8.913 -2.207 1.00 32.50 C ATOM 400 O SER A 27 8.016 8.688 -1.049 1.00 21.52 O ATOM 401 CB SER A 27 8.318 6.911 -3.706 1.00 73.54 C ATOM 402 OG SER A 27 7.770 5.870 -2.915 1.00 53.52 O ATOM 0 H SER A 27 8.147 8.721 -5.369 1.00 65.04 H new ATOM 0 HA SER A 27 6.617 8.081 -3.110 1.00 20.11 H new ATOM 0 HB2 SER A 27 8.182 6.679 -4.762 1.00 73.54 H new ATOM 0 HB3 SER A 27 9.392 6.979 -3.530 1.00 73.54 H new ATOM 0 HG SER A 27 7.079 6.237 -2.324 1.00 53.52 H new ATOM 408 N CYS A 28 9.372 9.728 -2.511 1.00 44.54 N ATOM 409 CA CYS A 28 10.135 10.422 -1.480 1.00 33.40 C ATOM 410 C CYS A 28 9.312 11.547 -0.859 1.00 71.21 C ATOM 411 O CYS A 28 9.294 11.717 0.360 1.00 72.11 O ATOM 412 CB CYS A 28 11.430 10.986 -2.067 1.00 2.15 C ATOM 413 SG CYS A 28 12.938 10.432 -1.208 1.00 44.31 S ATOM 0 H CYS A 28 9.676 9.925 -3.464 1.00 44.54 H new ATOM 0 HA CYS A 28 10.382 9.703 -0.699 1.00 33.40 H new ATOM 0 HB2 CYS A 28 11.496 10.699 -3.116 1.00 2.15 H new ATOM 0 HB3 CYS A 28 11.386 12.075 -2.037 1.00 2.15 H new ATOM 418 N SER A 29 8.632 12.312 -1.707 1.00 12.22 N ATOM 419 CA SER A 29 7.810 13.423 -1.242 1.00 54.44 C ATOM 420 C SER A 29 6.776 12.947 -0.226 1.00 60.13 C ATOM 421 O SER A 29 6.397 13.685 0.682 1.00 2.15 O ATOM 422 CB SER A 29 7.108 14.095 -2.424 1.00 74.14 C ATOM 423 OG SER A 29 6.904 15.476 -2.179 1.00 72.40 O ATOM 0 H SER A 29 8.634 12.183 -2.719 1.00 12.22 H new ATOM 0 HA SER A 29 8.464 14.148 -0.756 1.00 54.44 H new ATOM 0 HB2 SER A 29 7.706 13.967 -3.326 1.00 74.14 H new ATOM 0 HB3 SER A 29 6.149 13.609 -2.605 1.00 74.14 H new ATOM 0 HG SER A 29 6.456 15.882 -2.950 1.00 72.40 H new ATOM 429 N MET A 30 6.324 11.708 -0.388 1.00 62.41 N ATOM 430 CA MET A 30 5.335 11.131 0.515 1.00 2.23 C ATOM 431 C MET A 30 5.957 10.814 1.871 1.00 23.05 C ATOM 432 O MET A 30 5.248 10.609 2.856 1.00 22.31 O ATOM 433 CB MET A 30 4.736 9.862 -0.093 1.00 54.02 C ATOM 434 CG MET A 30 4.450 9.978 -1.582 1.00 10.13 C ATOM 435 SD MET A 30 2.830 9.327 -2.031 1.00 33.22 S ATOM 436 CE MET A 30 1.925 10.844 -2.325 1.00 53.13 C ATOM 0 H MET A 30 6.627 11.084 -1.136 1.00 62.41 H new ATOM 0 HA MET A 30 4.542 11.864 0.661 1.00 2.23 H new ATOM 0 HB2 MET A 30 5.421 9.031 0.073 1.00 54.02 H new ATOM 0 HB3 MET A 30 3.810 9.621 0.429 1.00 54.02 H new ATOM 0 HG2 MET A 30 4.512 11.025 -1.879 1.00 10.13 H new ATOM 0 HG3 MET A 30 5.219 9.443 -2.139 1.00 10.13 H new ATOM 0 HE1 MET A 30 0.901 10.607 -2.613 1.00 53.13 H new ATOM 0 HE2 MET A 30 1.916 11.445 -1.415 1.00 53.13 H new ATOM 0 HE3 MET A 30 2.406 11.405 -3.126 1.00 53.13 H new ATOM 446 N GLN A 31 7.285 10.776 1.914 1.00 22.50 N ATOM 447 CA GLN A 31 8.001 10.482 3.150 1.00 42.11 C ATOM 448 C GLN A 31 8.676 11.735 3.698 1.00 24.24 C ATOM 449 O GLN A 31 9.593 11.651 4.514 1.00 23.31 O ATOM 450 CB GLN A 31 9.044 9.389 2.913 1.00 62.45 C ATOM 451 CG GLN A 31 8.710 8.472 1.747 1.00 42.14 C ATOM 452 CD GLN A 31 9.127 7.036 1.995 1.00 32.14 C ATOM 453 OE1 GLN A 31 10.170 6.589 1.519 1.00 64.41 O ATOM 454 NE2 GLN A 31 8.311 6.304 2.745 1.00 2.14 N ATOM 0 H GLN A 31 7.887 10.945 1.108 1.00 22.50 H new ATOM 0 HA GLN A 31 7.277 10.130 3.885 1.00 42.11 H new ATOM 0 HB2 GLN A 31 10.012 9.856 2.732 1.00 62.45 H new ATOM 0 HB3 GLN A 31 9.143 8.790 3.818 1.00 62.45 H new ATOM 0 HG2 GLN A 31 7.637 8.507 1.558 1.00 42.14 H new ATOM 0 HG3 GLN A 31 9.204 8.840 0.848 1.00 42.14 H new ATOM 0 HE21 GLN A 31 7.456 6.715 3.120 1.00 2.14 H new ATOM 0 HE22 GLN A 31 8.539 5.331 2.946 1.00 2.14 H new ATOM 463 N ASN A 32 8.216 12.896 3.244 1.00 3.11 N ATOM 464 CA ASN A 32 8.777 14.167 3.689 1.00 72.11 C ATOM 465 C ASN A 32 10.221 14.318 3.221 1.00 50.13 C ATOM 466 O ASN A 32 11.077 14.806 3.959 1.00 11.14 O ATOM 467 CB ASN A 32 8.710 14.272 5.214 1.00 73.11 C ATOM 468 CG ASN A 32 7.402 13.745 5.773 1.00 61.34 C ATOM 469 OD1 ASN A 32 7.392 12.877 6.646 1.00 63.23 O ATOM 470 ND2 ASN A 32 6.290 14.268 5.270 1.00 42.41 N ATOM 0 H ASN A 32 7.457 12.983 2.569 1.00 3.11 H new ATOM 0 HA ASN A 32 8.185 14.970 3.250 1.00 72.11 H new ATOM 0 HB2 ASN A 32 9.539 13.715 5.651 1.00 73.11 H new ATOM 0 HB3 ASN A 32 8.835 15.314 5.510 1.00 73.11 H new ATOM 0 HD21 ASN A 32 5.380 13.952 5.606 1.00 42.41 H new ATOM 0 HD22 ASN A 32 6.345 14.986 4.547 1.00 42.41 H new ATOM 477 N CYS A 33 10.485 13.897 1.988 1.00 32.24 N ATOM 478 CA CYS A 33 11.824 13.985 1.420 1.00 24.31 C ATOM 479 C CYS A 33 11.896 15.084 0.364 1.00 61.21 C ATOM 480 O CYS A 33 10.947 15.844 0.179 1.00 51.24 O ATOM 481 CB CYS A 33 12.229 12.644 0.805 1.00 61.34 C ATOM 482 SG CYS A 33 12.463 11.308 2.021 1.00 64.11 S ATOM 0 H CYS A 33 9.788 13.491 1.363 1.00 32.24 H new ATOM 0 HA CYS A 33 12.517 14.232 2.224 1.00 24.31 H new ATOM 0 HB2 CYS A 33 11.465 12.339 0.089 1.00 61.34 H new ATOM 0 HB3 CYS A 33 13.155 12.778 0.246 1.00 61.34 H new ATOM 487 N GLY A 34 13.030 15.161 -0.327 1.00 31.44 N ATOM 488 CA GLY A 34 13.205 16.169 -1.356 1.00 31.15 C ATOM 489 C GLY A 34 13.168 15.583 -2.753 1.00 44.52 C ATOM 490 O GLY A 34 12.346 15.980 -3.580 1.00 31.51 O ATOM 0 H GLY A 34 13.830 14.543 -0.192 1.00 31.44 H new ATOM 0 HA2 GLY A 34 12.422 16.922 -1.260 1.00 31.15 H new ATOM 0 HA3 GLY A 34 14.157 16.678 -1.204 1.00 31.15 H new ATOM 494 N THR A 35 14.064 14.638 -3.021 1.00 33.43 N ATOM 495 CA THR A 35 14.133 13.999 -4.329 1.00 33.43 C ATOM 496 C THR A 35 14.547 12.537 -4.205 1.00 72.32 C ATOM 497 O THR A 35 14.761 12.033 -3.103 1.00 71.05 O ATOM 498 CB THR A 35 15.125 14.725 -5.257 1.00 74.30 C ATOM 499 OG1 THR A 35 14.949 14.278 -6.606 1.00 42.43 O ATOM 500 CG2 THR A 35 16.559 14.475 -4.817 1.00 63.13 C ATOM 0 H THR A 35 14.752 14.298 -2.349 1.00 33.43 H new ATOM 0 HA THR A 35 13.134 14.056 -4.762 1.00 33.43 H new ATOM 0 HB THR A 35 14.926 15.795 -5.200 1.00 74.30 H new ATOM 0 HG1 THR A 35 15.582 14.745 -7.191 1.00 42.43 H new ATOM 0 HG21 THR A 35 17.242 14.998 -5.487 1.00 63.13 H new ATOM 0 HG22 THR A 35 16.697 14.842 -3.800 1.00 63.13 H new ATOM 0 HG23 THR A 35 16.768 13.406 -4.848 1.00 63.13 H new ATOM 508 N GLY A 36 14.659 11.860 -5.344 1.00 73.32 N ATOM 509 CA GLY A 36 15.048 10.462 -5.341 1.00 33.41 C ATOM 510 C GLY A 36 15.346 9.939 -6.732 1.00 53.44 C ATOM 511 O GLY A 36 14.542 10.105 -7.650 1.00 61.31 O ATOM 0 H GLY A 36 14.487 12.255 -6.269 1.00 73.32 H new ATOM 0 HA2 GLY A 36 15.929 10.335 -4.712 1.00 33.41 H new ATOM 0 HA3 GLY A 36 14.250 9.867 -4.896 1.00 33.41 H new ATOM 515 N SER A 37 16.505 9.309 -6.890 1.00 71.44 N ATOM 516 CA SER A 37 16.910 8.765 -8.182 1.00 12.33 C ATOM 517 C SER A 37 17.104 7.254 -8.099 1.00 14.33 C ATOM 518 O SER A 37 17.553 6.729 -7.079 1.00 53.24 O ATOM 519 CB SER A 37 18.203 9.432 -8.656 1.00 74.54 C ATOM 520 OG SER A 37 18.203 9.599 -10.064 1.00 24.35 O ATOM 0 H SER A 37 17.181 9.162 -6.140 1.00 71.44 H new ATOM 0 HA SER A 37 16.117 8.972 -8.901 1.00 12.33 H new ATOM 0 HB2 SER A 37 18.315 10.402 -8.171 1.00 74.54 H new ATOM 0 HB3 SER A 37 19.059 8.826 -8.358 1.00 74.54 H new ATOM 0 HG SER A 37 19.039 10.029 -10.342 1.00 24.35 H new ATOM 526 N CYS A 38 16.762 6.560 -9.179 1.00 13.11 N ATOM 527 CA CYS A 38 16.897 5.109 -9.231 1.00 14.53 C ATOM 528 C CYS A 38 17.970 4.698 -10.234 1.00 41.43 C ATOM 529 O CYS A 38 18.096 5.294 -11.305 1.00 20.43 O ATOM 530 CB CYS A 38 15.560 4.465 -9.604 1.00 42.02 C ATOM 531 SG CYS A 38 15.059 4.741 -11.334 1.00 10.54 S ATOM 0 H CYS A 38 16.389 6.979 -10.031 1.00 13.11 H new ATOM 0 HA CYS A 38 17.197 4.761 -8.243 1.00 14.53 H new ATOM 0 HB2 CYS A 38 15.622 3.392 -9.422 1.00 42.02 H new ATOM 0 HB3 CYS A 38 14.784 4.856 -8.945 1.00 42.02 H new ATOM 536 N LYS A 39 18.742 3.676 -9.881 1.00 1.40 N ATOM 537 CA LYS A 39 19.804 3.183 -10.750 1.00 3.14 C ATOM 538 C LYS A 39 19.950 1.670 -10.625 1.00 62.11 C ATOM 539 O LYS A 39 19.466 1.066 -9.668 1.00 22.43 O ATOM 540 CB LYS A 39 21.131 3.864 -10.405 1.00 13.21 C ATOM 541 CG LYS A 39 21.019 5.371 -10.253 1.00 1.30 C ATOM 542 CD LYS A 39 22.343 5.989 -9.837 1.00 3.44 C ATOM 543 CE LYS A 39 22.380 7.481 -10.133 1.00 32.24 C ATOM 544 NZ LYS A 39 23.370 7.811 -11.195 1.00 11.54 N ATOM 0 H LYS A 39 18.652 3.173 -8.998 1.00 1.40 H new ATOM 0 HA LYS A 39 19.537 3.421 -11.780 1.00 3.14 H new ATOM 0 HB2 LYS A 39 21.516 3.441 -9.477 1.00 13.21 H new ATOM 0 HB3 LYS A 39 21.859 3.639 -11.184 1.00 13.21 H new ATOM 0 HG2 LYS A 39 20.692 5.809 -11.196 1.00 1.30 H new ATOM 0 HG3 LYS A 39 20.257 5.607 -9.510 1.00 1.30 H new ATOM 0 HD2 LYS A 39 22.504 5.824 -8.772 1.00 3.44 H new ATOM 0 HD3 LYS A 39 23.159 5.492 -10.363 1.00 3.44 H new ATOM 0 HE2 LYS A 39 21.390 7.814 -10.443 1.00 32.24 H new ATOM 0 HE3 LYS A 39 22.629 8.026 -9.222 1.00 32.24 H new ATOM 0 HZ1 LYS A 39 23.365 8.837 -11.368 1.00 11.54 H new ATOM 0 HZ2 LYS A 39 24.319 7.516 -10.889 1.00 11.54 H new ATOM 0 HZ3 LYS A 39 23.118 7.311 -12.072 1.00 11.54 H new ATOM 558 N LYS A 40 20.622 1.063 -11.598 1.00 35.22 N ATOM 559 CA LYS A 40 20.834 -0.380 -11.597 1.00 3.45 C ATOM 560 C LYS A 40 21.974 -0.761 -10.657 1.00 11.42 C ATOM 561 O LYS A 40 23.136 -0.445 -10.915 1.00 75.31 O ATOM 562 CB LYS A 40 21.141 -0.872 -13.013 1.00 12.03 C ATOM 563 CG LYS A 40 19.925 -1.415 -13.744 1.00 25.50 C ATOM 564 CD LYS A 40 19.445 -2.721 -13.133 1.00 60.23 C ATOM 565 CE LYS A 40 18.604 -3.521 -14.117 1.00 45.31 C ATOM 566 NZ LYS A 40 19.383 -3.906 -15.326 1.00 60.35 N ATOM 0 H LYS A 40 21.029 1.548 -12.397 1.00 35.22 H new ATOM 0 HA LYS A 40 19.920 -0.857 -11.244 1.00 3.45 H new ATOM 0 HB2 LYS A 40 21.565 -0.050 -13.590 1.00 12.03 H new ATOM 0 HB3 LYS A 40 21.902 -1.651 -12.961 1.00 12.03 H new ATOM 0 HG2 LYS A 40 19.121 -0.680 -13.711 1.00 25.50 H new ATOM 0 HG3 LYS A 40 20.171 -1.572 -14.794 1.00 25.50 H new ATOM 0 HD2 LYS A 40 20.304 -3.315 -12.820 1.00 60.23 H new ATOM 0 HD3 LYS A 40 18.859 -2.512 -12.238 1.00 60.23 H new ATOM 0 HE2 LYS A 40 18.227 -4.419 -13.627 1.00 45.31 H new ATOM 0 HE3 LYS A 40 17.737 -2.933 -14.416 1.00 45.31 H new ATOM 0 HZ1 LYS A 40 18.986 -4.777 -15.732 1.00 60.35 H new ATOM 0 HZ2 LYS A 40 19.332 -3.142 -16.030 1.00 60.35 H new ATOM 0 HZ3 LYS A 40 20.376 -4.068 -15.062 1.00 60.35 H new ATOM 580 N ARG A 41 21.634 -1.441 -9.567 1.00 72.32 N ATOM 581 CA ARG A 41 22.629 -1.865 -8.590 1.00 31.43 C ATOM 582 C ARG A 41 22.996 -3.333 -8.789 1.00 50.02 C ATOM 583 O ARG A 41 22.244 -4.229 -8.406 1.00 54.14 O ATOM 584 CB ARG A 41 22.104 -1.648 -7.169 1.00 62.42 C ATOM 585 CG ARG A 41 21.757 -0.201 -6.863 1.00 3.44 C ATOM 586 CD ARG A 41 22.973 0.703 -6.993 1.00 3.23 C ATOM 587 NE ARG A 41 23.257 1.420 -5.753 1.00 3.44 N ATOM 588 CZ ARG A 41 23.936 0.895 -4.739 1.00 4.31 C ATOM 589 NH1 ARG A 41 24.399 -0.345 -4.818 1.00 41.42 N ATOM 590 NH2 ARG A 41 24.154 1.611 -3.643 1.00 44.22 N ATOM 0 H ARG A 41 20.677 -1.710 -9.338 1.00 72.32 H new ATOM 0 HA ARG A 41 23.525 -1.261 -8.736 1.00 31.43 H new ATOM 0 HB2 ARG A 41 21.218 -2.265 -7.020 1.00 62.42 H new ATOM 0 HB3 ARG A 41 22.855 -1.991 -6.457 1.00 62.42 H new ATOM 0 HG2 ARG A 41 20.976 0.138 -7.543 1.00 3.44 H new ATOM 0 HG3 ARG A 41 21.354 -0.128 -5.853 1.00 3.44 H new ATOM 0 HD2 ARG A 41 23.841 0.106 -7.273 1.00 3.23 H new ATOM 0 HD3 ARG A 41 22.807 1.420 -7.797 1.00 3.23 H new ATOM 0 HE ARG A 41 22.915 2.377 -5.660 1.00 3.44 H new ATOM 0 HH11 ARG A 41 24.234 -0.898 -5.659 1.00 41.42 H new ATOM 0 HH12 ARG A 41 24.920 -0.746 -4.038 1.00 41.42 H new ATOM 0 HH21 ARG A 41 23.800 2.565 -3.579 1.00 44.22 H new ATOM 0 HH22 ARG A 41 24.675 1.207 -2.865 1.00 44.22 H new ATOM 604 N SER A 42 24.157 -3.571 -9.391 1.00 52.23 N ATOM 605 CA SER A 42 24.622 -4.929 -9.646 1.00 31.22 C ATOM 606 C SER A 42 23.679 -5.656 -10.600 1.00 65.23 C ATOM 607 O SER A 42 23.542 -6.877 -10.544 1.00 74.43 O ATOM 608 CB SER A 42 24.735 -5.706 -8.333 1.00 24.32 C ATOM 609 OG SER A 42 25.916 -6.489 -8.304 1.00 61.41 O ATOM 0 H SER A 42 24.793 -2.841 -9.711 1.00 52.23 H new ATOM 0 HA SER A 42 25.606 -4.869 -10.111 1.00 31.22 H new ATOM 0 HB2 SER A 42 24.735 -5.010 -7.494 1.00 24.32 H new ATOM 0 HB3 SER A 42 23.864 -6.351 -8.212 1.00 24.32 H new ATOM 0 HG SER A 42 25.966 -6.975 -7.454 1.00 61.41 H new ATOM 615 N GLY A 43 23.032 -4.895 -11.477 1.00 41.42 N ATOM 616 CA GLY A 43 22.111 -5.482 -12.432 1.00 35.20 C ATOM 617 C GLY A 43 20.708 -5.619 -11.875 1.00 34.33 C ATOM 618 O GLY A 43 19.870 -6.316 -12.448 1.00 51.55 O ATOM 0 H GLY A 43 23.129 -3.882 -11.543 1.00 41.42 H new ATOM 0 HA2 GLY A 43 22.083 -4.866 -13.331 1.00 35.20 H new ATOM 0 HA3 GLY A 43 22.478 -6.464 -12.730 1.00 35.20 H new ATOM 622 N ARG A 44 20.451 -4.955 -10.753 1.00 32.25 N ATOM 623 CA ARG A 44 19.140 -5.009 -10.116 1.00 3.31 C ATOM 624 C ARG A 44 18.525 -3.616 -10.021 1.00 12.30 C ATOM 625 O ARG A 44 19.182 -2.644 -9.648 1.00 1.12 O ATOM 626 CB ARG A 44 19.252 -5.625 -8.720 1.00 45.41 C ATOM 627 CG ARG A 44 19.691 -7.080 -8.730 1.00 1.20 C ATOM 628 CD ARG A 44 18.626 -7.978 -9.339 1.00 62.50 C ATOM 629 NE ARG A 44 18.955 -9.394 -9.193 1.00 4.21 N ATOM 630 CZ ARG A 44 18.097 -10.377 -9.439 1.00 31.25 C ATOM 631 NH1 ARG A 44 16.864 -10.100 -9.841 1.00 21.54 N ATOM 632 NH2 ARG A 44 18.471 -11.641 -9.283 1.00 0.35 N ATOM 0 H ARG A 44 21.133 -4.373 -10.266 1.00 32.25 H new ATOM 0 HA ARG A 44 18.491 -5.634 -10.730 1.00 3.31 H new ATOM 0 HB2 ARG A 44 19.962 -5.044 -8.132 1.00 45.41 H new ATOM 0 HB3 ARG A 44 18.286 -5.549 -8.220 1.00 45.41 H new ATOM 0 HG2 ARG A 44 20.618 -7.178 -9.295 1.00 1.20 H new ATOM 0 HG3 ARG A 44 19.903 -7.404 -7.711 1.00 1.20 H new ATOM 0 HD2 ARG A 44 17.667 -7.778 -8.862 1.00 62.50 H new ATOM 0 HD3 ARG A 44 18.512 -7.739 -10.396 1.00 62.50 H new ATOM 0 HE ARG A 44 19.896 -9.641 -8.885 1.00 4.21 H new ATOM 0 HH11 ARG A 44 16.573 -9.130 -9.962 1.00 21.54 H new ATOM 0 HH12 ARG A 44 16.207 -10.857 -10.029 1.00 21.54 H new ATOM 0 HH21 ARG A 44 19.418 -11.858 -8.974 1.00 0.35 H new ATOM 0 HH22 ARG A 44 17.811 -12.395 -9.472 1.00 0.35 H new ATOM 646 N PRO A 45 17.233 -3.515 -10.367 1.00 52.50 N ATOM 647 CA PRO A 45 16.500 -2.245 -10.329 1.00 62.41 C ATOM 648 C PRO A 45 16.258 -1.758 -8.905 1.00 22.04 C ATOM 649 O PRO A 45 15.264 -2.119 -8.274 1.00 12.21 O ATOM 650 CB PRO A 45 15.172 -2.582 -11.012 1.00 43.21 C ATOM 651 CG PRO A 45 15.002 -4.048 -10.808 1.00 11.43 C ATOM 652 CD PRO A 45 16.388 -4.631 -10.821 1.00 74.44 C ATOM 0 HA PRO A 45 17.053 -1.440 -10.814 1.00 62.41 H new ATOM 0 HB2 PRO A 45 14.347 -2.023 -10.571 1.00 43.21 H new ATOM 0 HB3 PRO A 45 15.197 -2.330 -12.072 1.00 43.21 H new ATOM 0 HG2 PRO A 45 14.500 -4.255 -9.863 1.00 11.43 H new ATOM 0 HG3 PRO A 45 14.388 -4.483 -11.597 1.00 11.43 H new ATOM 0 HD2 PRO A 45 16.468 -5.491 -10.157 1.00 74.44 H new ATOM 0 HD3 PRO A 45 16.672 -4.970 -11.817 1.00 74.44 H new ATOM 660 N THR A 46 17.173 -0.935 -8.402 1.00 24.21 N ATOM 661 CA THR A 46 17.060 -0.399 -7.052 1.00 13.24 C ATOM 662 C THR A 46 16.674 1.076 -7.076 1.00 75.43 C ATOM 663 O THR A 46 17.171 1.845 -7.900 1.00 32.54 O ATOM 664 CB THR A 46 18.378 -0.560 -6.270 1.00 55.44 C ATOM 665 OG1 THR A 46 18.720 -1.946 -6.168 1.00 64.12 O ATOM 666 CG2 THR A 46 18.258 0.042 -4.878 1.00 44.55 C ATOM 0 H THR A 46 18.001 -0.625 -8.910 1.00 24.21 H new ATOM 0 HA THR A 46 16.277 -0.969 -6.551 1.00 13.24 H new ATOM 0 HB THR A 46 19.163 -0.031 -6.811 1.00 55.44 H new ATOM 0 HG1 THR A 46 19.560 -2.040 -5.671 1.00 64.12 H new ATOM 0 HG21 THR A 46 19.200 -0.084 -4.345 1.00 44.55 H new ATOM 0 HG22 THR A 46 18.026 1.104 -4.960 1.00 44.55 H new ATOM 0 HG23 THR A 46 17.462 -0.462 -4.331 1.00 44.55 H new ATOM 674 N CYS A 47 15.784 1.465 -6.169 1.00 24.12 N ATOM 675 CA CYS A 47 15.331 2.848 -6.086 1.00 21.03 C ATOM 676 C CYS A 47 15.985 3.565 -4.908 1.00 31.11 C ATOM 677 O CYS A 47 15.819 3.166 -3.755 1.00 4.30 O ATOM 678 CB CYS A 47 13.808 2.900 -5.947 1.00 43.11 C ATOM 679 SG CYS A 47 13.020 4.239 -6.899 1.00 25.13 S ATOM 0 H CYS A 47 15.362 0.841 -5.481 1.00 24.12 H new ATOM 0 HA CYS A 47 15.623 3.356 -7.005 1.00 21.03 H new ATOM 0 HB2 CYS A 47 13.392 1.946 -6.269 1.00 43.11 H new ATOM 0 HB3 CYS A 47 13.554 3.019 -4.894 1.00 43.11 H new ATOM 684 N VAL A 48 16.728 4.626 -5.207 1.00 23.33 N ATOM 685 CA VAL A 48 17.406 5.400 -4.174 1.00 21.44 C ATOM 686 C VAL A 48 16.770 6.776 -4.012 1.00 24.10 C ATOM 687 O VAL A 48 16.278 7.362 -4.977 1.00 23.13 O ATOM 688 CB VAL A 48 18.903 5.572 -4.493 1.00 20.13 C ATOM 689 CG1 VAL A 48 19.681 5.923 -3.233 1.00 53.05 C ATOM 690 CG2 VAL A 48 19.458 4.311 -5.138 1.00 43.30 C ATOM 0 H VAL A 48 16.876 4.969 -6.156 1.00 23.33 H new ATOM 0 HA VAL A 48 17.303 4.844 -3.242 1.00 21.44 H new ATOM 0 HB VAL A 48 19.014 6.394 -5.200 1.00 20.13 H new ATOM 0 HG11 VAL A 48 20.737 6.041 -3.478 1.00 53.05 H new ATOM 0 HG12 VAL A 48 19.299 6.855 -2.817 1.00 53.05 H new ATOM 0 HG13 VAL A 48 19.565 5.125 -2.500 1.00 53.05 H new ATOM 0 HG21 VAL A 48 20.517 4.450 -5.357 1.00 43.30 H new ATOM 0 HG22 VAL A 48 19.336 3.469 -4.456 1.00 43.30 H new ATOM 0 HG23 VAL A 48 18.920 4.109 -6.064 1.00 43.30 H new ATOM 700 N CYS A 49 16.784 7.288 -2.786 1.00 25.33 N ATOM 701 CA CYS A 49 16.210 8.596 -2.496 1.00 33.31 C ATOM 702 C CYS A 49 17.288 9.575 -2.040 1.00 72.22 C ATOM 703 O CYS A 49 18.407 9.176 -1.718 1.00 44.04 O ATOM 704 CB CYS A 49 15.128 8.474 -1.420 1.00 64.13 C ATOM 705 SG CYS A 49 13.440 8.793 -2.024 1.00 74.54 S ATOM 0 H CYS A 49 17.187 6.816 -1.977 1.00 25.33 H new ATOM 0 HA CYS A 49 15.761 8.979 -3.412 1.00 33.31 H new ATOM 0 HB2 CYS A 49 15.166 7.472 -0.993 1.00 64.13 H new ATOM 0 HB3 CYS A 49 15.352 9.172 -0.614 1.00 64.13 H new ATOM 710 N TYR A 50 16.942 10.857 -2.015 1.00 41.03 N ATOM 711 CA TYR A 50 17.880 11.894 -1.601 1.00 62.33 C ATOM 712 C TYR A 50 17.140 13.115 -1.065 1.00 2.30 C ATOM 713 O TYR A 50 15.913 13.191 -1.133 1.00 3.10 O ATOM 714 CB TYR A 50 18.774 12.299 -2.774 1.00 44.51 C ATOM 715 CG TYR A 50 19.646 11.176 -3.288 1.00 22.01 C ATOM 716 CD1 TYR A 50 19.218 10.358 -4.326 1.00 61.41 C ATOM 717 CD2 TYR A 50 20.897 10.932 -2.735 1.00 1.12 C ATOM 718 CE1 TYR A 50 20.011 9.329 -4.798 1.00 52.44 C ATOM 719 CE2 TYR A 50 21.697 9.907 -3.202 1.00 1.33 C ATOM 720 CZ TYR A 50 21.249 9.109 -4.233 1.00 65.44 C ATOM 721 OH TYR A 50 22.043 8.086 -4.700 1.00 72.24 O ATOM 0 H TYR A 50 16.019 11.203 -2.276 1.00 41.03 H new ATOM 0 HA TYR A 50 18.501 11.489 -0.802 1.00 62.33 H new ATOM 0 HB2 TYR A 50 18.148 12.663 -3.588 1.00 44.51 H new ATOM 0 HB3 TYR A 50 19.410 13.129 -2.466 1.00 44.51 H new ATOM 0 HD1 TYR A 50 18.249 10.529 -4.772 1.00 61.41 H new ATOM 0 HD2 TYR A 50 21.250 11.554 -1.926 1.00 1.12 H new ATOM 0 HE1 TYR A 50 19.663 8.701 -5.605 1.00 52.44 H new ATOM 0 HE2 TYR A 50 22.668 9.732 -2.762 1.00 1.33 H new ATOM 0 HH TYR A 50 22.883 8.067 -4.195 1.00 72.24 H new ATOM 731 N ARG A 51 17.896 14.070 -0.532 1.00 70.21 N ATOM 732 CA ARG A 51 17.313 15.288 0.017 1.00 45.42 C ATOM 733 C ARG A 51 16.193 14.961 0.999 1.00 33.41 C ATOM 734 O ARG A 51 15.250 15.736 1.164 1.00 63.13 O ATOM 735 CB ARG A 51 16.777 16.174 -1.109 1.00 14.42 C ATOM 736 CG ARG A 51 17.829 16.558 -2.137 1.00 32.25 C ATOM 737 CD ARG A 51 17.686 18.010 -2.565 1.00 72.20 C ATOM 738 NE ARG A 51 18.981 18.670 -2.701 1.00 42.41 N ATOM 739 CZ ARG A 51 19.142 19.864 -3.262 1.00 63.55 C ATOM 740 NH1 ARG A 51 18.095 20.523 -3.737 1.00 51.50 N ATOM 741 NH2 ARG A 51 20.353 20.399 -3.349 1.00 43.14 N ATOM 0 H ARG A 51 18.913 14.023 -0.469 1.00 70.21 H new ATOM 0 HA ARG A 51 18.095 15.826 0.552 1.00 45.42 H new ATOM 0 HB2 ARG A 51 15.962 15.653 -1.613 1.00 14.42 H new ATOM 0 HB3 ARG A 51 16.356 17.082 -0.676 1.00 14.42 H new ATOM 0 HG2 ARG A 51 18.823 16.397 -1.720 1.00 32.25 H new ATOM 0 HG3 ARG A 51 17.741 15.910 -3.009 1.00 32.25 H new ATOM 0 HD2 ARG A 51 17.153 18.057 -3.515 1.00 72.20 H new ATOM 0 HD3 ARG A 51 17.081 18.546 -1.833 1.00 72.20 H new ATOM 0 HE ARG A 51 19.807 18.189 -2.346 1.00 42.41 H new ATOM 0 HH11 ARG A 51 17.163 20.114 -3.672 1.00 51.50 H new ATOM 0 HH12 ARG A 51 18.221 21.439 -4.167 1.00 51.50 H new ATOM 0 HH21 ARG A 51 21.161 19.894 -2.985 1.00 43.14 H new ATOM 0 HH22 ARG A 51 20.476 21.315 -3.780 1.00 43.14 H new ATOM 755 N CYS A 52 16.301 13.807 1.649 1.00 24.31 N ATOM 756 CA CYS A 52 15.298 13.375 2.614 1.00 32.33 C ATOM 757 C CYS A 52 15.397 14.187 3.902 1.00 32.13 C ATOM 758 O CYS A 52 16.304 15.002 4.066 1.00 21.11 O ATOM 759 CB CYS A 52 15.465 11.886 2.923 1.00 32.43 C ATOM 760 SG CYS A 52 13.894 10.994 3.158 1.00 14.22 S ATOM 0 H CYS A 52 17.074 13.154 1.524 1.00 24.31 H new ATOM 0 HA CYS A 52 14.314 13.540 2.176 1.00 32.33 H new ATOM 0 HB2 CYS A 52 16.018 11.417 2.109 1.00 32.43 H new ATOM 0 HB3 CYS A 52 16.070 11.778 3.823 1.00 32.43 H new ATOM 765 N ALA A 53 14.457 13.958 4.813 1.00 32.25 N ATOM 766 CA ALA A 53 14.439 14.666 6.087 1.00 21.25 C ATOM 767 C ALA A 53 14.838 13.743 7.234 1.00 63.01 C ATOM 768 O ALA A 53 15.385 14.190 8.241 1.00 24.00 O ATOM 769 CB ALA A 53 13.062 15.261 6.341 1.00 31.24 C ATOM 0 H ALA A 53 13.698 13.288 4.692 1.00 32.25 H new ATOM 0 HA ALA A 53 15.168 15.474 6.035 1.00 21.25 H new ATOM 0 HB1 ALA A 53 13.063 15.787 7.296 1.00 31.24 H new ATOM 0 HB2 ALA A 53 12.815 15.960 5.542 1.00 31.24 H new ATOM 0 HB3 ALA A 53 12.320 14.463 6.367 1.00 31.24 H new ATOM 775 N ASN A 54 14.560 12.453 7.074 1.00 41.23 N ATOM 776 CA ASN A 54 14.889 11.467 8.097 1.00 44.42 C ATOM 777 C ASN A 54 16.270 10.867 7.850 1.00 42.44 C ATOM 778 O ASN A 54 16.594 9.797 8.362 1.00 61.12 O ATOM 779 CB ASN A 54 13.836 10.358 8.123 1.00 22.13 C ATOM 780 CG ASN A 54 13.890 9.540 9.399 1.00 23.21 C ATOM 781 OD1 ASN A 54 13.967 10.088 10.499 1.00 44.34 O ATOM 782 ND2 ASN A 54 13.850 8.220 9.257 1.00 2.05 N ATOM 0 H ASN A 54 14.108 12.066 6.246 1.00 41.23 H new ATOM 0 HA ASN A 54 14.899 11.972 9.063 1.00 44.42 H new ATOM 0 HB2 ASN A 54 12.845 10.799 8.019 1.00 22.13 H new ATOM 0 HB3 ASN A 54 13.984 9.700 7.266 1.00 22.13 H new ATOM 0 HD21 ASN A 54 13.883 7.617 10.079 1.00 2.05 H new ATOM 0 HD22 ASN A 54 13.786 7.809 8.326 1.00 2.05 H new ATOM 789 N GLY A 55 17.081 11.566 7.061 1.00 52.44 N ATOM 790 CA GLY A 55 18.417 11.088 6.759 1.00 23.35 C ATOM 791 C GLY A 55 19.156 11.998 5.799 1.00 63.13 C ATOM 792 O GLY A 55 20.382 12.096 5.844 1.00 72.23 O ATOM 0 H GLY A 55 16.836 12.455 6.626 1.00 52.44 H new ATOM 0 HA2 GLY A 55 18.986 11.002 7.684 1.00 23.35 H new ATOM 0 HA3 GLY A 55 18.353 10.088 6.330 1.00 23.35 H new ATOM 796 N GLY A 56 18.409 12.665 4.925 1.00 50.34 N ATOM 797 CA GLY A 56 19.018 13.562 3.960 1.00 64.23 C ATOM 798 C GLY A 56 20.002 12.853 3.050 1.00 74.43 C ATOM 799 O GLY A 56 21.188 13.178 3.032 1.00 12.11 O ATOM 0 H GLY A 56 17.393 12.600 4.868 1.00 50.34 H new ATOM 0 HA2 GLY A 56 18.238 14.025 3.356 1.00 64.23 H new ATOM 0 HA3 GLY A 56 19.531 14.366 4.489 1.00 64.23 H new ATOM 803 N GLY A 57 19.508 11.878 2.292 1.00 74.00 N ATOM 804 CA GLY A 57 20.365 11.135 1.387 1.00 31.22 C ATOM 805 C GLY A 57 19.736 9.833 0.931 1.00 42.35 C ATOM 806 O GLY A 57 18.529 9.767 0.700 1.00 72.15 O ATOM 0 H GLY A 57 18.530 11.590 2.289 1.00 74.00 H new ATOM 0 HA2 GLY A 57 20.590 11.751 0.516 1.00 31.22 H new ATOM 0 HA3 GLY A 57 21.313 10.923 1.881 1.00 31.22 H new ATOM 810 N ASP A 58 20.556 8.797 0.798 1.00 21.43 N ATOM 811 CA ASP A 58 20.073 7.490 0.365 1.00 4.43 C ATOM 812 C ASP A 58 19.128 6.889 1.401 1.00 4.51 C ATOM 813 O ASP A 58 19.560 6.443 2.464 1.00 3.25 O ATOM 814 CB ASP A 58 21.250 6.544 0.120 1.00 74.10 C ATOM 815 CG ASP A 58 22.237 6.537 1.270 1.00 1.43 C ATOM 816 OD1 ASP A 58 22.299 5.521 1.994 1.00 13.20 O ATOM 817 OD2 ASP A 58 22.949 7.548 1.446 1.00 31.03 O ATOM 0 H ASP A 58 21.558 8.836 0.984 1.00 21.43 H new ATOM 0 HA ASP A 58 19.523 7.623 -0.567 1.00 4.43 H new ATOM 0 HB2 ASP A 58 20.873 5.533 -0.038 1.00 74.10 H new ATOM 0 HB3 ASP A 58 21.765 6.838 -0.795 1.00 74.10 H new ATOM 822 N ILE A 59 17.838 6.883 1.084 1.00 62.42 N ATOM 823 CA ILE A 59 16.833 6.337 1.987 1.00 32.31 C ATOM 824 C ILE A 59 15.766 5.564 1.219 1.00 33.03 C ATOM 825 O ILE A 59 14.882 6.141 0.585 1.00 33.43 O ATOM 826 CB ILE A 59 16.154 7.447 2.811 1.00 72.13 C ATOM 827 CG1 ILE A 59 17.195 8.449 3.313 1.00 24.34 C ATOM 828 CG2 ILE A 59 15.383 6.846 3.977 1.00 65.53 C ATOM 829 CD1 ILE A 59 18.041 7.921 4.451 1.00 10.34 C ATOM 0 H ILE A 59 17.464 7.250 0.209 1.00 62.42 H new ATOM 0 HA ILE A 59 17.352 5.659 2.665 1.00 32.31 H new ATOM 0 HB ILE A 59 15.449 7.975 2.169 1.00 72.13 H new ATOM 0 HG12 ILE A 59 17.847 8.729 2.486 1.00 24.34 H new ATOM 0 HG13 ILE A 59 16.687 9.356 3.639 1.00 24.34 H new ATOM 0 HG21 ILE A 59 14.909 7.643 4.549 1.00 65.53 H new ATOM 0 HG22 ILE A 59 14.618 6.168 3.597 1.00 65.53 H new ATOM 0 HG23 ILE A 59 16.068 6.295 4.621 1.00 65.53 H new ATOM 0 HD11 ILE A 59 18.757 8.684 4.756 1.00 10.34 H new ATOM 0 HD12 ILE A 59 17.399 7.668 5.295 1.00 10.34 H new ATOM 0 HD13 ILE A 59 18.577 7.031 4.123 1.00 10.34 H new ATOM 841 N PRO A 60 15.847 4.226 1.278 1.00 52.42 N ATOM 842 CA PRO A 60 14.894 3.345 0.596 1.00 45.03 C ATOM 843 C PRO A 60 13.509 3.387 1.231 1.00 72.42 C ATOM 844 O PRO A 60 13.371 3.636 2.429 1.00 0.21 O ATOM 845 CB PRO A 60 15.516 1.956 0.760 1.00 45.02 C ATOM 846 CG PRO A 60 16.357 2.060 1.985 1.00 30.35 C ATOM 847 CD PRO A 60 16.874 3.471 2.015 1.00 41.43 C ATOM 0 HA PRO A 60 14.739 3.638 -0.442 1.00 45.03 H new ATOM 0 HB2 PRO A 60 14.749 1.189 0.870 1.00 45.02 H new ATOM 0 HB3 PRO A 60 16.115 1.685 -0.110 1.00 45.02 H new ATOM 0 HG2 PRO A 60 15.773 1.839 2.879 1.00 30.35 H new ATOM 0 HG3 PRO A 60 17.178 1.344 1.956 1.00 30.35 H new ATOM 0 HD2 PRO A 60 16.986 3.836 3.036 1.00 41.43 H new ATOM 0 HD3 PRO A 60 17.851 3.551 1.539 1.00 41.43 H new ATOM 855 N LEU A 61 12.485 3.140 0.421 1.00 14.34 N ATOM 856 CA LEU A 61 11.108 3.149 0.905 1.00 42.03 C ATOM 857 C LEU A 61 10.960 2.269 2.142 1.00 51.31 C ATOM 858 O LEU A 61 10.042 2.452 2.940 1.00 53.41 O ATOM 859 CB LEU A 61 10.158 2.668 -0.194 1.00 2.43 C ATOM 860 CG LEU A 61 9.622 3.746 -1.136 1.00 54.41 C ATOM 861 CD1 LEU A 61 8.696 4.695 -0.390 1.00 71.22 C ATOM 862 CD2 LEU A 61 10.769 4.513 -1.778 1.00 31.02 C ATOM 0 H LEU A 61 12.582 2.931 -0.573 1.00 14.34 H new ATOM 0 HA LEU A 61 10.851 4.173 1.177 1.00 42.03 H new ATOM 0 HB2 LEU A 61 10.675 1.917 -0.791 1.00 2.43 H new ATOM 0 HB3 LEU A 61 9.310 2.172 0.278 1.00 2.43 H new ATOM 0 HG LEU A 61 9.050 3.259 -1.926 1.00 54.41 H new ATOM 0 HD11 LEU A 61 8.324 5.455 -1.077 1.00 71.22 H new ATOM 0 HD12 LEU A 61 7.856 4.135 0.021 1.00 71.22 H new ATOM 0 HD13 LEU A 61 9.244 5.175 0.421 1.00 71.22 H new ATOM 0 HD21 LEU A 61 10.368 5.276 -2.445 1.00 31.02 H new ATOM 0 HD22 LEU A 61 11.368 4.988 -1.002 1.00 31.02 H new ATOM 0 HD23 LEU A 61 11.393 3.825 -2.348 1.00 31.02 H new ATOM 874 N GLY A 62 11.872 1.314 2.296 1.00 42.23 N ATOM 875 CA GLY A 62 11.826 0.422 3.439 1.00 23.31 C ATOM 876 C GLY A 62 12.358 1.070 4.702 1.00 62.30 C ATOM 877 O GLY A 62 11.873 0.797 5.799 1.00 30.44 O ATOM 0 H GLY A 62 12.642 1.142 1.649 1.00 42.23 H new ATOM 0 HA2 GLY A 62 10.797 0.101 3.604 1.00 23.31 H new ATOM 0 HA3 GLY A 62 12.408 -0.473 3.221 1.00 23.31 H new ATOM 881 N ALA A 63 13.360 1.929 4.547 1.00 12.44 N ATOM 882 CA ALA A 63 13.958 2.618 5.684 1.00 12.05 C ATOM 883 C ALA A 63 13.092 3.790 6.134 1.00 72.10 C ATOM 884 O ALA A 63 13.153 4.213 7.289 1.00 34.12 O ATOM 885 CB ALA A 63 15.358 3.098 5.334 1.00 43.34 C ATOM 0 H ALA A 63 13.775 2.164 3.645 1.00 12.44 H new ATOM 0 HA ALA A 63 14.024 1.911 6.511 1.00 12.05 H new ATOM 0 HB1 ALA A 63 15.792 3.611 6.192 1.00 43.34 H new ATOM 0 HB2 ALA A 63 15.980 2.243 5.069 1.00 43.34 H new ATOM 0 HB3 ALA A 63 15.307 3.785 4.489 1.00 43.34 H new ATOM 891 N LEU A 64 12.287 4.311 5.215 1.00 53.11 N ATOM 892 CA LEU A 64 11.408 5.436 5.517 1.00 72.34 C ATOM 893 C LEU A 64 10.050 4.948 6.012 1.00 1.11 C ATOM 894 O LEU A 64 9.120 5.737 6.179 1.00 55.00 O ATOM 895 CB LEU A 64 11.226 6.313 4.277 1.00 0.30 C ATOM 896 CG LEU A 64 12.089 7.574 4.215 1.00 51.21 C ATOM 897 CD1 LEU A 64 12.401 7.937 2.771 1.00 30.23 C ATOM 898 CD2 LEU A 64 11.395 8.731 4.919 1.00 34.21 C ATOM 0 H LEU A 64 12.224 3.973 4.255 1.00 53.11 H new ATOM 0 HA LEU A 64 11.872 6.026 6.307 1.00 72.34 H new ATOM 0 HB2 LEU A 64 11.437 5.709 3.395 1.00 0.30 H new ATOM 0 HB3 LEU A 64 10.179 6.610 4.217 1.00 0.30 H new ATOM 0 HG LEU A 64 13.029 7.373 4.729 1.00 51.21 H new ATOM 0 HD11 LEU A 64 13.016 8.837 2.747 1.00 30.23 H new ATOM 0 HD12 LEU A 64 12.940 7.116 2.298 1.00 30.23 H new ATOM 0 HD13 LEU A 64 11.471 8.119 2.232 1.00 30.23 H new ATOM 0 HD21 LEU A 64 12.024 9.620 4.865 1.00 34.21 H new ATOM 0 HD22 LEU A 64 10.440 8.932 4.434 1.00 34.21 H new ATOM 0 HD23 LEU A 64 11.223 8.471 5.964 1.00 34.21 H new ATOM 910 N ILE A 65 9.945 3.645 6.247 1.00 22.41 N ATOM 911 CA ILE A 65 8.702 3.053 6.727 1.00 64.12 C ATOM 912 C ILE A 65 8.346 3.573 8.116 1.00 63.45 C ATOM 913 O ILE A 65 9.138 3.467 9.052 1.00 21.34 O ATOM 914 CB ILE A 65 8.792 1.516 6.773 1.00 13.14 C ATOM 915 CG1 ILE A 65 8.945 0.949 5.360 1.00 3.45 C ATOM 916 CG2 ILE A 65 7.561 0.934 7.452 1.00 12.44 C ATOM 917 CD1 ILE A 65 9.027 -0.561 5.321 1.00 43.53 C ATOM 0 H ILE A 65 10.705 2.979 6.113 1.00 22.41 H new ATOM 0 HA ILE A 65 7.922 3.342 6.023 1.00 64.12 H new ATOM 0 HB ILE A 65 9.671 1.236 7.354 1.00 13.14 H new ATOM 0 HG12 ILE A 65 8.100 1.275 4.753 1.00 3.45 H new ATOM 0 HG13 ILE A 65 9.844 1.366 4.905 1.00 3.45 H new ATOM 0 HG21 ILE A 65 7.639 -0.153 7.477 1.00 12.44 H new ATOM 0 HG22 ILE A 65 7.492 1.316 8.470 1.00 12.44 H new ATOM 0 HG23 ILE A 65 6.669 1.221 6.896 1.00 12.44 H new ATOM 0 HD11 ILE A 65 9.134 -0.893 4.288 1.00 43.53 H new ATOM 0 HD12 ILE A 65 9.888 -0.894 5.901 1.00 43.53 H new ATOM 0 HD13 ILE A 65 8.118 -0.986 5.746 1.00 43.53 H new ATOM 929 N LYS A 66 7.148 4.133 8.242 1.00 4.40 N ATOM 930 CA LYS A 66 6.684 4.667 9.517 1.00 51.42 C ATOM 931 C LYS A 66 5.667 3.731 10.161 1.00 21.51 C ATOM 932 O LYS A 66 5.092 4.046 11.203 1.00 21.51 O ATOM 933 CB LYS A 66 6.063 6.052 9.317 1.00 32.23 C ATOM 934 CG LYS A 66 6.976 7.030 8.599 1.00 11.31 C ATOM 935 CD LYS A 66 6.184 8.127 7.907 1.00 72.23 C ATOM 936 CE LYS A 66 5.525 7.619 6.633 1.00 2.21 C ATOM 937 NZ LYS A 66 4.049 7.812 6.657 1.00 12.43 N ATOM 0 H LYS A 66 6.481 4.229 7.477 1.00 4.40 H new ATOM 0 HA LYS A 66 7.544 4.753 10.181 1.00 51.42 H new ATOM 0 HB2 LYS A 66 5.138 5.948 8.750 1.00 32.23 H new ATOM 0 HB3 LYS A 66 5.795 6.465 10.290 1.00 32.23 H new ATOM 0 HG2 LYS A 66 7.668 7.475 9.314 1.00 11.31 H new ATOM 0 HG3 LYS A 66 7.577 6.495 7.864 1.00 11.31 H new ATOM 0 HD2 LYS A 66 5.421 8.510 8.585 1.00 72.23 H new ATOM 0 HD3 LYS A 66 6.845 8.960 7.669 1.00 72.23 H new ATOM 0 HE2 LYS A 66 5.946 8.141 5.774 1.00 2.21 H new ATOM 0 HE3 LYS A 66 5.751 6.560 6.505 1.00 2.21 H new ATOM 0 HZ1 LYS A 66 3.638 7.453 5.772 1.00 12.43 H new ATOM 0 HZ2 LYS A 66 3.644 7.293 7.462 1.00 12.43 H new ATOM 0 HZ3 LYS A 66 3.833 8.825 6.754 1.00 12.43 H new ATOM 951 N ARG A 67 5.452 2.578 9.535 1.00 14.13 N ATOM 952 CA ARG A 67 4.504 1.596 10.048 1.00 25.44 C ATOM 953 C ARG A 67 3.079 2.139 10.004 1.00 44.25 C ATOM 954 O ARG A 67 2.184 1.616 10.665 1.00 55.22 O ATOM 955 CB ARG A 67 4.868 1.206 11.482 1.00 21.42 C ATOM 956 CG ARG A 67 5.440 -0.197 11.605 1.00 35.45 C ATOM 957 CD ARG A 67 6.606 -0.410 10.653 1.00 53.31 C ATOM 958 NE ARG A 67 7.777 -0.954 11.334 1.00 31.43 N ATOM 959 CZ ARG A 67 8.763 -1.587 10.708 1.00 3.24 C ATOM 960 NH1 ARG A 67 8.720 -1.753 9.394 1.00 51.34 N ATOM 961 NH2 ARG A 67 9.796 -2.054 11.398 1.00 61.32 N ATOM 0 H ARG A 67 5.921 2.301 8.673 1.00 14.13 H new ATOM 0 HA ARG A 67 4.557 0.712 9.413 1.00 25.44 H new ATOM 0 HB2 ARG A 67 5.594 1.920 11.871 1.00 21.42 H new ATOM 0 HB3 ARG A 67 3.979 1.283 12.107 1.00 21.42 H new ATOM 0 HG2 ARG A 67 5.770 -0.368 12.630 1.00 35.45 H new ATOM 0 HG3 ARG A 67 4.660 -0.929 11.395 1.00 35.45 H new ATOM 0 HD2 ARG A 67 6.303 -1.088 9.855 1.00 53.31 H new ATOM 0 HD3 ARG A 67 6.868 0.538 10.183 1.00 53.31 H new ATOM 0 HE ARG A 67 7.842 -0.842 12.346 1.00 31.43 H new ATOM 0 HH11 ARG A 67 7.928 -1.394 8.860 1.00 51.34 H new ATOM 0 HH12 ARG A 67 9.479 -2.239 8.916 1.00 51.34 H new ATOM 0 HH21 ARG A 67 9.833 -1.927 12.409 1.00 61.32 H new ATOM 0 HH22 ARG A 67 10.553 -2.540 10.917 1.00 61.32 H new ATOM 975 N GLY A 68 2.878 3.193 9.219 1.00 51.53 N ATOM 976 CA GLY A 68 1.560 3.791 9.103 1.00 64.14 C ATOM 977 C GLY A 68 1.239 4.716 10.260 1.00 63.12 C ATOM 978 O GLY A 68 0.210 4.564 10.917 1.00 53.20 O ATOM 0 H GLY A 68 3.604 3.643 8.661 1.00 51.53 H new ATOM 0 HA2 GLY A 68 1.498 4.348 8.168 1.00 64.14 H new ATOM 0 HA3 GLY A 68 0.810 3.002 9.054 1.00 64.14 H new TER 982 GLY A 68