USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 250 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 15 LYS NZ :NH3+ 139:sc= -1.05 (180deg=-3.63!) USER MOD Single : A 16 SER OG : rot 73:sc= 0.0415 USER MOD Single : A 19 ASN : amide:sc= -0.232 K(o=-0.23,f=-1.6!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -1.17 K(o=-1.2,f=-10!) USER MOD Single : A 32 THR OG1 : rot 118:sc= 1.41 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.442 -0.563 -1.134 1.00 65.14 N ATOM 2 CA ALA A 1 2.465 -1.574 -0.897 1.00 64.01 C ATOM 3 C ALA A 1 2.229 -2.808 -1.761 1.00 74.01 C ATOM 4 O ALA A 1 3.124 -3.259 -2.476 1.00 51.02 O ATOM 5 CB ALA A 1 2.498 -1.956 0.575 1.00 31.52 C ATOM 0 H1 ALA A 1 1.627 0.266 -0.533 1.00 65.14 H new ATOM 0 H2 ALA A 1 1.462 -0.277 -2.134 1.00 65.14 H new ATOM 0 H3 ALA A 1 0.507 -0.955 -0.904 1.00 65.14 H new ATOM 0 HA ALA A 1 3.430 -1.150 -1.173 1.00 64.01 H new ATOM 0 HB1 ALA A 1 3.266 -2.712 0.738 1.00 31.52 H new ATOM 0 HB2 ALA A 1 2.724 -1.074 1.175 1.00 31.52 H new ATOM 0 HB3 ALA A 1 1.528 -2.356 0.869 1.00 31.52 H new ATOM 11 N CYS A 2 1.018 -3.351 -1.690 1.00 52.21 N ATOM 12 CA CYS A 2 0.663 -4.534 -2.465 1.00 11.24 C ATOM 13 C CYS A 2 -0.568 -4.270 -3.327 1.00 33.32 C ATOM 14 O CYS A 2 -1.523 -5.048 -3.320 1.00 41.13 O ATOM 15 CB CYS A 2 0.403 -5.720 -1.534 1.00 12.45 C ATOM 16 SG CYS A 2 1.683 -5.960 -0.260 1.00 11.53 S ATOM 0 H CYS A 2 0.266 -2.990 -1.103 1.00 52.21 H new ATOM 0 HA CYS A 2 1.500 -4.773 -3.121 1.00 11.24 H new ATOM 0 HB2 CYS A 2 -0.560 -5.579 -1.044 1.00 12.45 H new ATOM 0 HB3 CYS A 2 0.326 -6.628 -2.132 1.00 12.45 H new ATOM 21 N LYS A 3 -0.539 -3.168 -4.069 1.00 34.35 N ATOM 22 CA LYS A 3 -1.651 -2.801 -4.938 1.00 21.21 C ATOM 23 C LYS A 3 -1.938 -3.906 -5.950 1.00 42.30 C ATOM 24 O LYS A 3 -1.294 -4.955 -5.937 1.00 40.01 O ATOM 25 CB LYS A 3 -1.343 -1.492 -5.669 1.00 21.52 C ATOM 26 CG LYS A 3 -1.507 -0.257 -4.800 1.00 23.40 C ATOM 27 CD LYS A 3 -1.471 1.016 -5.628 1.00 62.13 C ATOM 28 CE LYS A 3 -1.983 2.210 -4.838 1.00 34.23 C ATOM 29 NZ LYS A 3 -2.394 3.330 -5.729 1.00 4.33 N ATOM 0 H LYS A 3 0.243 -2.513 -4.086 1.00 34.35 H new ATOM 0 HA LYS A 3 -2.536 -2.663 -4.316 1.00 21.21 H new ATOM 0 HB2 LYS A 3 -0.321 -1.528 -6.046 1.00 21.52 H new ATOM 0 HB3 LYS A 3 -1.999 -1.406 -6.535 1.00 21.52 H new ATOM 0 HG2 LYS A 3 -2.452 -0.314 -4.260 1.00 23.40 H new ATOM 0 HG3 LYS A 3 -0.714 -0.229 -4.053 1.00 23.40 H new ATOM 0 HD2 LYS A 3 -0.450 1.208 -5.958 1.00 62.13 H new ATOM 0 HD3 LYS A 3 -2.077 0.885 -6.525 1.00 62.13 H new ATOM 0 HE2 LYS A 3 -2.831 1.903 -4.225 1.00 34.23 H new ATOM 0 HE3 LYS A 3 -1.205 2.555 -4.156 1.00 34.23 H new ATOM 0 HZ1 LYS A 3 -2.737 4.125 -5.152 1.00 4.33 H new ATOM 0 HZ2 LYS A 3 -1.579 3.640 -6.296 1.00 4.33 H new ATOM 0 HZ3 LYS A 3 -3.154 3.009 -6.362 1.00 4.33 H new ATOM 43 N ASP A 4 -2.906 -3.662 -6.826 1.00 52.00 N ATOM 44 CA ASP A 4 -3.276 -4.635 -7.847 1.00 74.21 C ATOM 45 C ASP A 4 -2.326 -4.562 -9.038 1.00 4.32 C ATOM 46 O ASP A 4 -2.358 -3.606 -9.813 1.00 64.12 O ATOM 47 CB ASP A 4 -4.714 -4.397 -8.311 1.00 72.52 C ATOM 48 CG ASP A 4 -4.929 -2.990 -8.832 1.00 72.13 C ATOM 49 OD1 ASP A 4 -5.262 -2.844 -10.027 1.00 43.23 O ATOM 50 OD2 ASP A 4 -4.766 -2.035 -8.045 1.00 3.02 O ATOM 0 H ASP A 4 -3.449 -2.799 -6.850 1.00 52.00 H new ATOM 0 HA ASP A 4 -3.203 -5.630 -7.408 1.00 74.21 H new ATOM 0 HB2 ASP A 4 -4.963 -5.113 -9.094 1.00 72.52 H new ATOM 0 HB3 ASP A 4 -5.396 -4.582 -7.481 1.00 72.52 H new ATOM 55 N VAL A 5 -1.479 -5.577 -9.176 1.00 60.22 N ATOM 56 CA VAL A 5 -0.519 -5.628 -10.272 1.00 42.02 C ATOM 57 C VAL A 5 -1.179 -6.110 -11.559 1.00 42.22 C ATOM 58 O VAL A 5 -0.834 -5.661 -12.652 1.00 44.14 O ATOM 59 CB VAL A 5 0.666 -6.554 -9.938 1.00 11.20 C ATOM 60 CG1 VAL A 5 1.755 -6.430 -10.993 1.00 75.41 C ATOM 61 CG2 VAL A 5 1.214 -6.238 -8.555 1.00 25.23 C ATOM 0 H VAL A 5 -1.438 -6.375 -8.542 1.00 60.22 H new ATOM 0 HA VAL A 5 -0.148 -4.613 -10.415 1.00 42.02 H new ATOM 0 HB VAL A 5 0.311 -7.584 -9.937 1.00 11.20 H new ATOM 0 HG11 VAL A 5 2.584 -7.091 -10.740 1.00 75.41 H new ATOM 0 HG12 VAL A 5 1.352 -6.709 -11.966 1.00 75.41 H new ATOM 0 HG13 VAL A 5 2.111 -5.400 -11.029 1.00 75.41 H new ATOM 0 HG21 VAL A 5 2.051 -6.901 -8.335 1.00 25.23 H new ATOM 0 HG22 VAL A 5 1.554 -5.203 -8.526 1.00 25.23 H new ATOM 0 HG23 VAL A 5 0.430 -6.383 -7.811 1.00 25.23 H new ATOM 71 N PHE A 6 -2.131 -7.027 -11.422 1.00 41.40 N ATOM 72 CA PHE A 6 -2.840 -7.571 -12.574 1.00 51.42 C ATOM 73 C PHE A 6 -3.952 -6.627 -13.023 1.00 72.34 C ATOM 74 O PHE A 6 -4.408 -5.763 -12.275 1.00 4.44 O ATOM 75 CB PHE A 6 -3.426 -8.944 -12.238 1.00 5.31 C ATOM 76 CG PHE A 6 -2.538 -10.088 -12.637 1.00 2.23 C ATOM 77 CD1 PHE A 6 -1.171 -10.031 -12.416 1.00 32.55 C ATOM 78 CD2 PHE A 6 -3.070 -11.220 -13.233 1.00 51.52 C ATOM 79 CE1 PHE A 6 -0.352 -11.083 -12.781 1.00 5.31 C ATOM 80 CE2 PHE A 6 -2.255 -12.274 -13.600 1.00 55.04 C ATOM 81 CZ PHE A 6 -0.894 -12.205 -13.375 1.00 75.01 C ATOM 0 H PHE A 6 -2.429 -7.409 -10.524 1.00 41.40 H new ATOM 0 HA PHE A 6 -2.126 -7.679 -13.391 1.00 51.42 H new ATOM 0 HB2 PHE A 6 -3.614 -8.997 -11.166 1.00 5.31 H new ATOM 0 HB3 PHE A 6 -4.389 -9.051 -12.737 1.00 5.31 H new ATOM 0 HD1 PHE A 6 -0.741 -9.155 -11.953 1.00 32.55 H new ATOM 0 HD2 PHE A 6 -4.133 -11.279 -13.413 1.00 51.52 H new ATOM 0 HE1 PHE A 6 0.712 -11.027 -12.602 1.00 5.31 H new ATOM 0 HE2 PHE A 6 -2.682 -13.151 -14.063 1.00 55.04 H new ATOM 0 HZ PHE A 6 -0.255 -13.027 -13.663 1.00 75.01 H new ATOM 91 N PRO A 7 -4.400 -6.796 -14.276 1.00 73.04 N ATOM 92 CA PRO A 7 -5.464 -5.970 -14.855 1.00 11.34 C ATOM 93 C PRO A 7 -6.824 -6.252 -14.226 1.00 32.13 C ATOM 94 O PRO A 7 -7.163 -7.402 -13.947 1.00 51.13 O ATOM 95 CB PRO A 7 -5.464 -6.373 -16.331 1.00 63.12 C ATOM 96 CG PRO A 7 -4.903 -7.753 -16.347 1.00 33.44 C ATOM 97 CD PRO A 7 -3.903 -7.807 -15.225 1.00 14.12 C ATOM 0 HA PRO A 7 -5.289 -4.907 -14.690 1.00 11.34 H new ATOM 0 HB2 PRO A 7 -6.471 -6.350 -16.748 1.00 63.12 H new ATOM 0 HB3 PRO A 7 -4.857 -5.692 -16.927 1.00 63.12 H new ATOM 0 HG2 PRO A 7 -5.689 -8.495 -16.205 1.00 33.44 H new ATOM 0 HG3 PRO A 7 -4.428 -7.970 -17.304 1.00 33.44 H new ATOM 0 HD2 PRO A 7 -3.861 -8.797 -14.772 1.00 14.12 H new ATOM 0 HD3 PRO A 7 -2.897 -7.572 -15.572 1.00 14.12 H new ATOM 105 N ALA A 8 -7.600 -5.196 -14.005 1.00 3.42 N ATOM 106 CA ALA A 8 -8.924 -5.331 -13.411 1.00 40.10 C ATOM 107 C ALA A 8 -9.784 -6.309 -14.204 1.00 22.41 C ATOM 108 O ALA A 8 -10.548 -7.085 -13.630 1.00 41.30 O ATOM 109 CB ALA A 8 -9.606 -3.973 -13.328 1.00 32.42 C ATOM 0 H ALA A 8 -7.334 -4.237 -14.229 1.00 3.42 H new ATOM 0 HA ALA A 8 -8.804 -5.728 -12.403 1.00 40.10 H new ATOM 0 HB1 ALA A 8 -10.594 -4.089 -12.882 1.00 32.42 H new ATOM 0 HB2 ALA A 8 -9.007 -3.302 -12.713 1.00 32.42 H new ATOM 0 HB3 ALA A 8 -9.706 -3.554 -14.329 1.00 32.42 H new ATOM 115 N ALA A 9 -9.654 -6.267 -15.526 1.00 30.22 N ATOM 116 CA ALA A 9 -10.418 -7.151 -16.397 1.00 73.30 C ATOM 117 C ALA A 9 -10.293 -8.604 -15.951 1.00 62.23 C ATOM 118 O ALA A 9 -11.281 -9.337 -15.901 1.00 71.31 O ATOM 119 CB ALA A 9 -9.958 -6.998 -17.839 1.00 53.12 C ATOM 0 H ALA A 9 -9.027 -5.630 -16.017 1.00 30.22 H new ATOM 0 HA ALA A 9 -11.468 -6.867 -16.330 1.00 73.30 H new ATOM 0 HB1 ALA A 9 -10.537 -7.664 -18.478 1.00 53.12 H new ATOM 0 HB2 ALA A 9 -10.106 -5.967 -18.161 1.00 53.12 H new ATOM 0 HB3 ALA A 9 -8.901 -7.253 -17.913 1.00 53.12 H new ATOM 125 N THR A 10 -9.071 -9.016 -15.629 1.00 24.03 N ATOM 126 CA THR A 10 -8.815 -10.382 -15.189 1.00 55.11 C ATOM 127 C THR A 10 -9.241 -10.581 -13.739 1.00 22.31 C ATOM 128 O THR A 10 -9.979 -11.514 -13.420 1.00 63.11 O ATOM 129 CB THR A 10 -7.326 -10.749 -15.330 1.00 51.34 C ATOM 130 OG1 THR A 10 -6.934 -10.683 -16.706 1.00 61.40 O ATOM 131 CG2 THR A 10 -7.059 -12.144 -14.787 1.00 64.22 C ATOM 0 H THR A 10 -8.242 -8.423 -15.665 1.00 24.03 H new ATOM 0 HA THR A 10 -9.404 -11.036 -15.831 1.00 55.11 H new ATOM 0 HB THR A 10 -6.741 -10.034 -14.751 1.00 51.34 H new ATOM 0 HG1 THR A 10 -5.986 -10.916 -16.787 1.00 61.40 H new ATOM 0 HG21 THR A 10 -6.001 -12.381 -14.897 1.00 64.22 H new ATOM 0 HG22 THR A 10 -7.331 -12.182 -13.732 1.00 64.22 H new ATOM 0 HG23 THR A 10 -7.653 -12.870 -15.342 1.00 64.22 H new ATOM 139 N CYS A 11 -8.772 -9.699 -12.863 1.00 3.00 N ATOM 140 CA CYS A 11 -9.103 -9.777 -11.446 1.00 35.35 C ATOM 141 C CYS A 11 -10.579 -10.116 -11.250 1.00 44.40 C ATOM 142 O CYS A 11 -10.918 -11.160 -10.693 1.00 50.13 O ATOM 143 CB CYS A 11 -8.776 -8.455 -10.750 1.00 3.33 C ATOM 144 SG CYS A 11 -7.036 -7.940 -10.912 1.00 62.24 S ATOM 0 H CYS A 11 -8.161 -8.921 -13.110 1.00 3.00 H new ATOM 0 HA CYS A 11 -8.503 -10.571 -11.002 1.00 35.35 H new ATOM 0 HB2 CYS A 11 -9.415 -7.673 -11.160 1.00 3.33 H new ATOM 0 HB3 CYS A 11 -9.020 -8.544 -9.691 1.00 3.33 H new ATOM 149 N ARG A 12 -11.450 -9.225 -11.712 1.00 74.31 N ATOM 150 CA ARG A 12 -12.889 -9.429 -11.588 1.00 3.45 C ATOM 151 C ARG A 12 -13.287 -10.815 -12.086 1.00 10.24 C ATOM 152 O ARG A 12 -14.114 -11.492 -11.474 1.00 51.10 O ATOM 153 CB ARG A 12 -13.647 -8.356 -12.372 1.00 3.12 C ATOM 154 CG ARG A 12 -13.295 -8.319 -13.850 1.00 61.50 C ATOM 155 CD ARG A 12 -13.522 -6.938 -14.443 1.00 4.53 C ATOM 156 NE ARG A 12 -14.077 -7.005 -15.792 1.00 4.11 N ATOM 157 CZ ARG A 12 -15.353 -7.266 -16.049 1.00 55.41 C ATOM 158 NH1 ARG A 12 -16.203 -7.482 -15.054 1.00 42.12 N ATOM 159 NH2 ARG A 12 -15.783 -7.310 -17.304 1.00 12.13 N ATOM 0 H ARG A 12 -11.185 -8.356 -12.175 1.00 74.31 H new ATOM 0 HA ARG A 12 -13.152 -9.352 -10.533 1.00 3.45 H new ATOM 0 HB2 ARG A 12 -14.718 -8.529 -12.266 1.00 3.12 H new ATOM 0 HB3 ARG A 12 -13.437 -7.381 -11.933 1.00 3.12 H new ATOM 0 HG2 ARG A 12 -12.252 -8.607 -13.984 1.00 61.50 H new ATOM 0 HG3 ARG A 12 -13.899 -9.050 -14.387 1.00 61.50 H new ATOM 0 HD2 ARG A 12 -14.199 -6.375 -13.800 1.00 4.53 H new ATOM 0 HD3 ARG A 12 -12.578 -6.394 -14.466 1.00 4.53 H new ATOM 0 HE ARG A 12 -13.450 -6.842 -16.580 1.00 4.11 H new ATOM 0 HH11 ARG A 12 -15.877 -7.448 -14.088 1.00 42.12 H new ATOM 0 HH12 ARG A 12 -17.183 -7.682 -15.255 1.00 42.12 H new ATOM 0 HH21 ARG A 12 -15.133 -7.143 -18.072 1.00 12.13 H new ATOM 0 HH22 ARG A 12 -16.764 -7.511 -17.500 1.00 12.13 H new ATOM 173 N HIS A 13 -12.693 -11.231 -13.200 1.00 14.21 N ATOM 174 CA HIS A 13 -12.986 -12.537 -13.780 1.00 52.54 C ATOM 175 C HIS A 13 -12.842 -13.640 -12.737 1.00 2.14 C ATOM 176 O HIS A 13 -13.590 -14.617 -12.745 1.00 10.13 O ATOM 177 CB HIS A 13 -12.057 -12.812 -14.963 1.00 31.31 C ATOM 178 CG HIS A 13 -12.725 -13.532 -16.094 1.00 43.12 C ATOM 179 ND1 HIS A 13 -13.019 -12.930 -17.300 1.00 20.44 N ATOM 180 CD2 HIS A 13 -13.154 -14.811 -16.199 1.00 33.20 C ATOM 181 CE1 HIS A 13 -13.602 -13.808 -18.096 1.00 72.02 C ATOM 182 NE2 HIS A 13 -13.696 -14.957 -17.452 1.00 62.54 N ATOM 0 H HIS A 13 -12.006 -10.683 -13.719 1.00 14.21 H new ATOM 0 HA HIS A 13 -14.018 -12.528 -14.132 1.00 52.54 H new ATOM 0 HB2 HIS A 13 -11.659 -11.866 -15.330 1.00 31.31 H new ATOM 0 HB3 HIS A 13 -11.208 -13.402 -14.618 1.00 31.31 H new ATOM 0 HD2 HIS A 13 -13.083 -15.575 -15.439 1.00 33.20 H new ATOM 0 HE1 HIS A 13 -13.944 -13.618 -19.103 1.00 72.02 H new ATOM 0 HE2 HIS A 13 -14.105 -15.814 -17.825 1.00 62.54 H new ATOM 190 N ALA A 14 -11.874 -13.477 -11.840 1.00 55.31 N ATOM 191 CA ALA A 14 -11.633 -14.458 -10.790 1.00 11.04 C ATOM 192 C ALA A 14 -12.633 -14.299 -9.649 1.00 43.52 C ATOM 193 O ALA A 14 -13.137 -15.283 -9.109 1.00 74.45 O ATOM 194 CB ALA A 14 -10.209 -14.333 -10.268 1.00 14.25 C ATOM 0 H ALA A 14 -11.245 -12.675 -11.820 1.00 55.31 H new ATOM 0 HA ALA A 14 -11.766 -15.452 -11.218 1.00 11.04 H new ATOM 0 HB1 ALA A 14 -10.043 -15.072 -9.484 1.00 14.25 H new ATOM 0 HB2 ALA A 14 -9.506 -14.505 -11.083 1.00 14.25 H new ATOM 0 HB3 ALA A 14 -10.057 -13.333 -9.862 1.00 14.25 H new ATOM 200 N LYS A 15 -12.915 -13.052 -9.286 1.00 3.12 N ATOM 201 CA LYS A 15 -13.855 -12.762 -8.209 1.00 63.35 C ATOM 202 C LYS A 15 -15.252 -13.266 -8.557 1.00 41.21 C ATOM 203 O LYS A 15 -15.900 -13.933 -7.751 1.00 12.53 O ATOM 204 CB LYS A 15 -13.897 -11.258 -7.933 1.00 54.30 C ATOM 205 CG LYS A 15 -12.524 -10.629 -7.776 1.00 43.10 C ATOM 206 CD LYS A 15 -11.758 -11.244 -6.616 1.00 51.15 C ATOM 207 CE LYS A 15 -12.331 -10.807 -5.277 1.00 23.54 C ATOM 208 NZ LYS A 15 -11.848 -11.667 -4.161 1.00 31.33 N ATOM 0 H LYS A 15 -12.506 -12.226 -9.722 1.00 3.12 H new ATOM 0 HA LYS A 15 -13.514 -13.280 -7.312 1.00 63.35 H new ATOM 0 HB2 LYS A 15 -14.423 -10.762 -8.749 1.00 54.30 H new ATOM 0 HB3 LYS A 15 -14.475 -11.080 -7.026 1.00 54.30 H new ATOM 0 HG2 LYS A 15 -11.956 -10.758 -8.697 1.00 43.10 H new ATOM 0 HG3 LYS A 15 -12.631 -9.556 -7.615 1.00 43.10 H new ATOM 0 HD2 LYS A 15 -11.793 -12.331 -6.691 1.00 51.15 H new ATOM 0 HD3 LYS A 15 -10.709 -10.954 -6.676 1.00 51.15 H new ATOM 0 HE2 LYS A 15 -12.053 -9.771 -5.084 1.00 23.54 H new ATOM 0 HE3 LYS A 15 -13.420 -10.843 -5.318 1.00 23.54 H new ATOM 0 HZ1 LYS A 15 -11.630 -11.074 -3.335 1.00 31.33 H new ATOM 0 HZ2 LYS A 15 -12.586 -12.355 -3.909 1.00 31.33 H new ATOM 0 HZ3 LYS A 15 -10.990 -12.173 -4.459 1.00 31.33 H new ATOM 222 N SER A 16 -15.709 -12.944 -9.763 1.00 12.51 N ATOM 223 CA SER A 16 -17.031 -13.361 -10.216 1.00 63.51 C ATOM 224 C SER A 16 -17.317 -14.801 -9.800 1.00 74.13 C ATOM 225 O SER A 16 -18.334 -15.086 -9.167 1.00 51.11 O ATOM 226 CB SER A 16 -17.138 -13.227 -11.736 1.00 41.23 C ATOM 227 OG SER A 16 -17.217 -11.866 -12.123 1.00 43.14 O ATOM 0 H SER A 16 -15.183 -12.396 -10.444 1.00 12.51 H new ATOM 0 HA SER A 16 -17.771 -12.711 -9.748 1.00 63.51 H new ATOM 0 HB2 SER A 16 -16.273 -13.693 -12.207 1.00 41.23 H new ATOM 0 HB3 SER A 16 -18.020 -13.761 -12.090 1.00 41.23 H new ATOM 0 HG SER A 16 -16.341 -11.442 -12.007 1.00 43.14 H new ATOM 233 N VAL A 17 -16.413 -15.706 -10.161 1.00 72.04 N ATOM 234 CA VAL A 17 -16.567 -17.117 -9.826 1.00 1.53 C ATOM 235 C VAL A 17 -16.125 -17.392 -8.393 1.00 1.21 C ATOM 236 O VAL A 17 -16.672 -18.264 -7.720 1.00 72.20 O ATOM 237 CB VAL A 17 -15.758 -18.012 -10.782 1.00 64.51 C ATOM 238 CG1 VAL A 17 -16.293 -17.900 -12.201 1.00 51.43 C ATOM 239 CG2 VAL A 17 -14.281 -17.649 -10.730 1.00 72.52 C ATOM 0 H VAL A 17 -15.566 -15.487 -10.686 1.00 72.04 H new ATOM 0 HA VAL A 17 -17.626 -17.354 -9.928 1.00 1.53 H new ATOM 0 HB VAL A 17 -15.866 -19.048 -10.460 1.00 64.51 H new ATOM 0 HG11 VAL A 17 -15.708 -18.540 -12.862 1.00 51.43 H new ATOM 0 HG12 VAL A 17 -17.337 -18.214 -12.222 1.00 51.43 H new ATOM 0 HG13 VAL A 17 -16.218 -16.866 -12.538 1.00 51.43 H new ATOM 0 HG21 VAL A 17 -13.724 -18.292 -11.412 1.00 72.52 H new ATOM 0 HG22 VAL A 17 -14.152 -16.608 -11.025 1.00 72.52 H new ATOM 0 HG23 VAL A 17 -13.908 -17.787 -9.715 1.00 72.52 H new ATOM 249 N GLY A 18 -15.130 -16.640 -7.931 1.00 62.24 N ATOM 250 CA GLY A 18 -14.631 -16.818 -6.580 1.00 63.14 C ATOM 251 C GLY A 18 -13.360 -17.643 -6.536 1.00 4.33 C ATOM 252 O GLY A 18 -13.199 -18.501 -5.670 1.00 33.54 O ATOM 0 H GLY A 18 -14.661 -15.911 -8.468 1.00 62.24 H new ATOM 0 HA2 GLY A 18 -14.442 -15.841 -6.134 1.00 63.14 H new ATOM 0 HA3 GLY A 18 -15.396 -17.303 -5.974 1.00 63.14 H new ATOM 256 N ASN A 19 -12.454 -17.383 -7.473 1.00 51.51 N ATOM 257 CA ASN A 19 -11.191 -18.109 -7.539 1.00 32.25 C ATOM 258 C ASN A 19 -10.087 -17.346 -6.814 1.00 24.55 C ATOM 259 O ASN A 19 -8.901 -17.558 -7.068 1.00 64.31 O ATOM 260 CB ASN A 19 -10.791 -18.347 -8.996 1.00 5.21 C ATOM 261 CG ASN A 19 -10.675 -19.821 -9.331 1.00 32.32 C ATOM 262 OD1 ASN A 19 -10.439 -20.652 -8.453 1.00 51.13 O ATOM 263 ND2 ASN A 19 -10.842 -20.153 -10.606 1.00 25.01 N ATOM 0 H ASN A 19 -12.571 -16.675 -8.197 1.00 51.51 H new ATOM 0 HA ASN A 19 -11.327 -19.071 -7.046 1.00 32.25 H new ATOM 0 HB2 ASN A 19 -11.529 -17.885 -9.652 1.00 5.21 H new ATOM 0 HB3 ASN A 19 -9.838 -17.857 -9.193 1.00 5.21 H new ATOM 0 HD21 ASN A 19 -10.776 -21.130 -10.891 1.00 25.01 H new ATOM 0 HD22 ASN A 19 -11.036 -19.431 -11.300 1.00 25.01 H new ATOM 270 N CYS A 20 -10.484 -16.458 -5.908 1.00 71.55 N ATOM 271 CA CYS A 20 -9.529 -15.664 -5.146 1.00 14.45 C ATOM 272 C CYS A 20 -8.555 -16.562 -4.389 1.00 33.21 C ATOM 273 O CYS A 20 -7.414 -16.180 -4.132 1.00 22.01 O ATOM 274 CB CYS A 20 -10.265 -14.749 -4.164 1.00 23.34 C ATOM 275 SG CYS A 20 -9.164 -13.738 -3.123 1.00 1.42 S ATOM 0 H CYS A 20 -11.461 -16.271 -5.684 1.00 71.55 H new ATOM 0 HA CYS A 20 -8.961 -15.053 -5.847 1.00 14.45 H new ATOM 0 HB2 CYS A 20 -10.925 -14.088 -4.725 1.00 23.34 H new ATOM 0 HB3 CYS A 20 -10.898 -15.359 -3.520 1.00 23.34 H new ATOM 280 N SER A 21 -9.015 -17.758 -4.035 1.00 61.34 N ATOM 281 CA SER A 21 -8.186 -18.710 -3.305 1.00 71.43 C ATOM 282 C SER A 21 -6.855 -18.930 -4.017 1.00 42.54 C ATOM 283 O SER A 21 -5.814 -19.081 -3.378 1.00 42.01 O ATOM 284 CB SER A 21 -8.920 -20.044 -3.150 1.00 51.33 C ATOM 285 OG SER A 21 -8.044 -21.057 -2.688 1.00 71.44 O ATOM 0 H SER A 21 -9.957 -18.091 -4.242 1.00 61.34 H new ATOM 0 HA SER A 21 -7.986 -18.296 -2.317 1.00 71.43 H new ATOM 0 HB2 SER A 21 -9.748 -19.928 -2.451 1.00 51.33 H new ATOM 0 HB3 SER A 21 -9.350 -20.339 -4.107 1.00 51.33 H new ATOM 0 HG SER A 21 -8.537 -21.899 -2.596 1.00 71.44 H new ATOM 291 N SER A 22 -6.897 -18.945 -5.346 1.00 21.21 N ATOM 292 CA SER A 22 -5.695 -19.150 -6.146 1.00 54.44 C ATOM 293 C SER A 22 -4.638 -18.101 -5.816 1.00 25.11 C ATOM 294 O SER A 22 -4.852 -17.233 -4.971 1.00 33.03 O ATOM 295 CB SER A 22 -6.035 -19.096 -7.637 1.00 40.42 C ATOM 296 OG SER A 22 -6.742 -20.255 -8.042 1.00 24.44 O ATOM 0 H SER A 22 -7.750 -18.818 -5.891 1.00 21.21 H new ATOM 0 HA SER A 22 -5.292 -20.134 -5.907 1.00 54.44 H new ATOM 0 HB2 SER A 22 -6.635 -18.210 -7.844 1.00 40.42 H new ATOM 0 HB3 SER A 22 -5.118 -19.004 -8.219 1.00 40.42 H new ATOM 0 HG SER A 22 -6.949 -20.195 -8.998 1.00 24.44 H new ATOM 302 N GLU A 23 -3.495 -18.190 -6.489 1.00 42.34 N ATOM 303 CA GLU A 23 -2.403 -17.249 -6.267 1.00 22.43 C ATOM 304 C GLU A 23 -2.204 -16.348 -7.482 1.00 72.43 C ATOM 305 O GLU A 23 -1.838 -15.180 -7.351 1.00 21.42 O ATOM 306 CB GLU A 23 -1.107 -18.002 -5.959 1.00 63.20 C ATOM 307 CG GLU A 23 0.060 -17.091 -5.618 1.00 2.14 C ATOM 308 CD GLU A 23 1.271 -17.856 -5.120 1.00 4.51 C ATOM 309 OE1 GLU A 23 1.484 -18.995 -5.584 1.00 65.21 O ATOM 310 OE2 GLU A 23 2.006 -17.315 -4.267 1.00 34.02 O ATOM 0 H GLU A 23 -3.301 -18.903 -7.192 1.00 42.34 H new ATOM 0 HA GLU A 23 -2.664 -16.624 -5.413 1.00 22.43 H new ATOM 0 HB2 GLU A 23 -1.281 -18.682 -5.126 1.00 63.20 H new ATOM 0 HB3 GLU A 23 -0.839 -18.615 -6.820 1.00 63.20 H new ATOM 0 HG2 GLU A 23 0.337 -16.515 -6.501 1.00 2.14 H new ATOM 0 HG3 GLU A 23 -0.252 -16.376 -4.856 1.00 2.14 H new ATOM 317 N LYS A 24 -2.448 -16.900 -8.666 1.00 60.12 N ATOM 318 CA LYS A 24 -2.297 -16.149 -9.907 1.00 14.54 C ATOM 319 C LYS A 24 -3.050 -14.823 -9.835 1.00 25.54 C ATOM 320 O LYS A 24 -2.653 -13.839 -10.459 1.00 10.13 O ATOM 321 CB LYS A 24 -2.807 -16.973 -11.091 1.00 42.53 C ATOM 322 CG LYS A 24 -2.726 -16.241 -12.420 1.00 75.31 C ATOM 323 CD LYS A 24 -3.149 -17.134 -13.575 1.00 32.45 C ATOM 324 CE LYS A 24 -1.985 -17.426 -14.509 1.00 20.22 C ATOM 325 NZ LYS A 24 -2.444 -17.698 -15.899 1.00 31.20 N ATOM 0 H LYS A 24 -2.751 -17.866 -8.792 1.00 60.12 H new ATOM 0 HA LYS A 24 -1.237 -15.938 -10.049 1.00 14.54 H new ATOM 0 HB2 LYS A 24 -2.229 -17.895 -11.157 1.00 42.53 H new ATOM 0 HB3 LYS A 24 -3.842 -17.259 -10.905 1.00 42.53 H new ATOM 0 HG2 LYS A 24 -3.364 -15.358 -12.389 1.00 75.31 H new ATOM 0 HG3 LYS A 24 -1.706 -15.892 -12.583 1.00 75.31 H new ATOM 0 HD2 LYS A 24 -3.548 -18.071 -13.185 1.00 32.45 H new ATOM 0 HD3 LYS A 24 -3.953 -16.653 -14.133 1.00 32.45 H new ATOM 0 HE2 LYS A 24 -1.300 -16.578 -14.512 1.00 20.22 H new ATOM 0 HE3 LYS A 24 -1.427 -18.285 -14.136 1.00 20.22 H new ATOM 0 HZ1 LYS A 24 -1.621 -17.892 -16.505 1.00 31.20 H new ATOM 0 HZ2 LYS A 24 -3.077 -18.523 -15.900 1.00 31.20 H new ATOM 0 HZ3 LYS A 24 -2.955 -16.869 -16.264 1.00 31.20 H new ATOM 339 N TYR A 25 -4.135 -14.806 -9.069 1.00 40.52 N ATOM 340 CA TYR A 25 -4.943 -13.601 -8.917 1.00 22.34 C ATOM 341 C TYR A 25 -5.099 -13.233 -7.444 1.00 42.14 C ATOM 342 O TYR A 25 -6.164 -12.794 -7.011 1.00 35.41 O ATOM 343 CB TYR A 25 -6.319 -13.801 -9.552 1.00 75.45 C ATOM 344 CG TYR A 25 -6.495 -15.155 -10.203 1.00 31.02 C ATOM 345 CD1 TYR A 25 -5.945 -15.425 -11.450 1.00 2.11 C ATOM 346 CD2 TYR A 25 -7.212 -16.164 -9.571 1.00 41.31 C ATOM 347 CE1 TYR A 25 -6.103 -16.660 -12.048 1.00 51.14 C ATOM 348 CE2 TYR A 25 -7.374 -17.402 -10.161 1.00 51.04 C ATOM 349 CZ TYR A 25 -6.818 -17.645 -11.400 1.00 71.20 C ATOM 350 OH TYR A 25 -6.979 -18.877 -11.992 1.00 64.00 O ATOM 0 H TYR A 25 -4.475 -15.612 -8.544 1.00 40.52 H new ATOM 0 HA TYR A 25 -4.431 -12.784 -9.425 1.00 22.34 H new ATOM 0 HB2 TYR A 25 -7.085 -13.673 -8.787 1.00 75.45 H new ATOM 0 HB3 TYR A 25 -6.481 -13.024 -10.299 1.00 75.45 H new ATOM 0 HD1 TYR A 25 -5.384 -14.656 -11.961 1.00 2.11 H new ATOM 0 HD2 TYR A 25 -7.650 -15.977 -8.602 1.00 41.31 H new ATOM 0 HE1 TYR A 25 -5.669 -16.853 -13.018 1.00 51.14 H new ATOM 0 HE2 TYR A 25 -7.933 -18.176 -9.655 1.00 51.04 H new ATOM 0 HH TYR A 25 -7.507 -19.456 -11.403 1.00 64.00 H new ATOM 360 N LYS A 26 -4.028 -13.414 -6.679 1.00 45.44 N ATOM 361 CA LYS A 26 -4.042 -13.099 -5.256 1.00 24.43 C ATOM 362 C LYS A 26 -2.750 -12.402 -4.840 1.00 33.34 C ATOM 363 O LYS A 26 -2.772 -11.450 -4.060 1.00 4.13 O ATOM 364 CB LYS A 26 -4.233 -14.375 -4.433 1.00 21.44 C ATOM 365 CG LYS A 26 -4.546 -14.114 -2.970 1.00 32.24 C ATOM 366 CD LYS A 26 -5.350 -15.251 -2.360 1.00 3.41 C ATOM 367 CE LYS A 26 -4.786 -15.671 -1.011 1.00 63.13 C ATOM 368 NZ LYS A 26 -5.842 -15.735 0.036 1.00 32.12 N ATOM 0 H LYS A 26 -3.139 -13.778 -7.021 1.00 45.44 H new ATOM 0 HA LYS A 26 -4.876 -12.423 -5.067 1.00 24.43 H new ATOM 0 HB2 LYS A 26 -5.041 -14.961 -4.870 1.00 21.44 H new ATOM 0 HB3 LYS A 26 -3.328 -14.979 -4.500 1.00 21.44 H new ATOM 0 HG2 LYS A 26 -3.616 -13.986 -2.415 1.00 32.24 H new ATOM 0 HG3 LYS A 26 -5.104 -13.182 -2.877 1.00 32.24 H new ATOM 0 HD2 LYS A 26 -6.388 -14.941 -2.241 1.00 3.41 H new ATOM 0 HD3 LYS A 26 -5.348 -16.104 -3.038 1.00 3.41 H new ATOM 0 HE2 LYS A 26 -4.308 -16.646 -1.105 1.00 63.13 H new ATOM 0 HE3 LYS A 26 -4.013 -14.966 -0.705 1.00 63.13 H new ATOM 0 HZ1 LYS A 26 -5.417 -16.025 0.940 1.00 32.12 H new ATOM 0 HZ2 LYS A 26 -6.281 -14.798 0.144 1.00 32.12 H new ATOM 0 HZ3 LYS A 26 -6.567 -16.427 -0.244 1.00 32.12 H new ATOM 382 N ARG A 27 -1.628 -12.882 -5.366 1.00 11.12 N ATOM 383 CA ARG A 27 -0.328 -12.304 -5.049 1.00 23.22 C ATOM 384 C ARG A 27 -0.147 -10.958 -5.744 1.00 10.34 C ATOM 385 O ARG A 27 0.535 -10.071 -5.232 1.00 51.20 O ATOM 386 CB ARG A 27 0.793 -13.259 -5.464 1.00 42.21 C ATOM 387 CG ARG A 27 0.955 -13.390 -6.970 1.00 2.33 C ATOM 388 CD ARG A 27 2.075 -14.355 -7.328 1.00 15.22 C ATOM 389 NE ARG A 27 3.389 -13.819 -6.987 1.00 5.41 N ATOM 390 CZ ARG A 27 4.013 -12.891 -7.704 1.00 2.50 C ATOM 391 NH1 ARG A 27 3.444 -12.398 -8.796 1.00 2.05 N ATOM 392 NH2 ARG A 27 5.208 -12.453 -7.329 1.00 44.22 N ATOM 0 H ARG A 27 -1.593 -13.669 -6.013 1.00 11.12 H new ATOM 0 HA ARG A 27 -0.282 -12.146 -3.972 1.00 23.22 H new ATOM 0 HB2 ARG A 27 1.733 -12.911 -5.035 1.00 42.21 H new ATOM 0 HB3 ARG A 27 0.595 -14.244 -5.041 1.00 42.21 H new ATOM 0 HG2 ARG A 27 0.020 -13.738 -7.409 1.00 2.33 H new ATOM 0 HG3 ARG A 27 1.165 -12.411 -7.401 1.00 2.33 H new ATOM 0 HD2 ARG A 27 1.922 -15.299 -6.804 1.00 15.22 H new ATOM 0 HD3 ARG A 27 2.038 -14.573 -8.395 1.00 15.22 H new ATOM 0 HE ARG A 27 3.854 -14.177 -6.152 1.00 5.41 H new ATOM 0 HH11 ARG A 27 2.525 -12.731 -9.087 1.00 2.05 H new ATOM 0 HH12 ARG A 27 3.925 -11.686 -9.345 1.00 2.05 H new ATOM 0 HH21 ARG A 27 5.649 -12.829 -6.489 1.00 44.22 H new ATOM 0 HH22 ARG A 27 5.686 -11.740 -7.880 1.00 44.22 H new ATOM 406 N ASN A 28 -0.763 -10.813 -6.913 1.00 22.54 N ATOM 407 CA ASN A 28 -0.669 -9.576 -7.678 1.00 51.23 C ATOM 408 C ASN A 28 -1.867 -8.672 -7.401 1.00 23.35 C ATOM 409 O ASN A 28 -1.715 -7.558 -6.899 1.00 43.11 O ATOM 410 CB ASN A 28 -0.584 -9.883 -9.175 1.00 3.32 C ATOM 411 CG ASN A 28 -1.338 -11.144 -9.550 1.00 42.33 C ATOM 412 OD1 ASN A 28 -2.566 -11.189 -9.483 1.00 53.25 O ATOM 413 ND2 ASN A 28 -0.603 -12.176 -9.948 1.00 31.03 N ATOM 0 H ASN A 28 -1.332 -11.537 -7.351 1.00 22.54 H new ATOM 0 HA ASN A 28 0.237 -9.055 -7.368 1.00 51.23 H new ATOM 0 HB2 ASN A 28 -0.986 -9.041 -9.739 1.00 3.32 H new ATOM 0 HB3 ASN A 28 0.462 -9.989 -9.463 1.00 3.32 H new ATOM 0 HD21 ASN A 28 -1.054 -13.051 -10.214 1.00 31.03 H new ATOM 0 HD22 ASN A 28 0.413 -12.093 -9.988 1.00 31.03 H new ATOM 420 N CYS A 29 -3.058 -9.161 -7.729 1.00 40.43 N ATOM 421 CA CYS A 29 -4.283 -8.399 -7.516 1.00 4.12 C ATOM 422 C CYS A 29 -4.743 -8.505 -6.065 1.00 12.11 C ATOM 423 O CYS A 29 -5.727 -9.179 -5.763 1.00 32.30 O ATOM 424 CB CYS A 29 -5.387 -8.896 -8.451 1.00 21.34 C ATOM 425 SG CYS A 29 -6.448 -7.574 -9.118 1.00 24.10 S ATOM 0 H CYS A 29 -3.201 -10.082 -8.144 1.00 40.43 H new ATOM 0 HA CYS A 29 -4.074 -7.352 -7.737 1.00 4.12 H new ATOM 0 HB2 CYS A 29 -4.930 -9.434 -9.281 1.00 21.34 H new ATOM 0 HB3 CYS A 29 -6.010 -9.610 -7.913 1.00 21.34 H new ATOM 430 N ALA A 30 -4.024 -7.833 -5.171 1.00 73.52 N ATOM 431 CA ALA A 30 -4.360 -7.850 -3.753 1.00 0.02 C ATOM 432 C ALA A 30 -5.572 -6.970 -3.465 1.00 44.12 C ATOM 433 O ALA A 30 -6.498 -7.382 -2.766 1.00 62.11 O ATOM 434 CB ALA A 30 -3.168 -7.397 -2.923 1.00 64.40 C ATOM 0 H ALA A 30 -3.206 -7.271 -5.404 1.00 73.52 H new ATOM 0 HA ALA A 30 -4.613 -8.874 -3.477 1.00 0.02 H new ATOM 0 HB1 ALA A 30 -3.433 -7.414 -1.866 1.00 64.40 H new ATOM 0 HB2 ALA A 30 -2.327 -8.068 -3.097 1.00 64.40 H new ATOM 0 HB3 ALA A 30 -2.889 -6.383 -3.210 1.00 64.40 H new ATOM 440 N ILE A 31 -5.558 -5.757 -4.008 1.00 32.04 N ATOM 441 CA ILE A 31 -6.657 -4.820 -3.809 1.00 4.32 C ATOM 442 C ILE A 31 -7.997 -5.464 -4.146 1.00 20.13 C ATOM 443 O ILE A 31 -9.031 -5.105 -3.581 1.00 70.22 O ATOM 444 CB ILE A 31 -6.478 -3.553 -4.667 1.00 74.42 C ATOM 445 CG1 ILE A 31 -5.177 -2.839 -4.297 1.00 13.44 C ATOM 446 CG2 ILE A 31 -7.669 -2.623 -4.492 1.00 10.33 C ATOM 447 CD1 ILE A 31 -4.944 -1.565 -5.079 1.00 25.22 C ATOM 0 H ILE A 31 -4.799 -5.400 -4.588 1.00 32.04 H new ATOM 0 HA ILE A 31 -6.647 -4.540 -2.756 1.00 4.32 H new ATOM 0 HB ILE A 31 -6.422 -3.846 -5.715 1.00 74.42 H new ATOM 0 HG12 ILE A 31 -5.190 -2.605 -3.232 1.00 13.44 H new ATOM 0 HG13 ILE A 31 -4.340 -3.517 -4.464 1.00 13.44 H new ATOM 0 HG21 ILE A 31 -7.528 -1.732 -5.104 1.00 10.33 H new ATOM 0 HG22 ILE A 31 -8.580 -3.136 -4.802 1.00 10.33 H new ATOM 0 HG23 ILE A 31 -7.754 -2.334 -3.445 1.00 10.33 H new ATOM 0 HD11 ILE A 31 -4.004 -1.112 -4.765 1.00 25.22 H new ATOM 0 HD12 ILE A 31 -4.898 -1.795 -6.144 1.00 25.22 H new ATOM 0 HD13 ILE A 31 -5.762 -0.869 -4.893 1.00 25.22 H new ATOM 459 N THR A 32 -7.972 -6.420 -5.069 1.00 74.21 N ATOM 460 CA THR A 32 -9.185 -7.116 -5.481 1.00 62.13 C ATOM 461 C THR A 32 -9.435 -8.345 -4.615 1.00 64.42 C ATOM 462 O THR A 32 -10.490 -8.476 -3.994 1.00 4.23 O ATOM 463 CB THR A 32 -9.110 -7.549 -6.958 1.00 2.23 C ATOM 464 OG1 THR A 32 -8.972 -6.398 -7.799 1.00 72.40 O ATOM 465 CG2 THR A 32 -10.353 -8.329 -7.357 1.00 32.34 C ATOM 0 H THR A 32 -7.125 -6.730 -5.546 1.00 74.21 H new ATOM 0 HA THR A 32 -10.010 -6.414 -5.357 1.00 62.13 H new ATOM 0 HB THR A 32 -8.241 -8.195 -7.081 1.00 2.23 H new ATOM 0 HG1 THR A 32 -8.119 -6.444 -8.279 1.00 72.40 H new ATOM 0 HG21 THR A 32 -10.277 -8.624 -8.404 1.00 32.34 H new ATOM 0 HG22 THR A 32 -10.439 -9.220 -6.734 1.00 32.34 H new ATOM 0 HG23 THR A 32 -11.235 -7.703 -7.219 1.00 32.34 H new ATOM 473 N CYS A 33 -8.458 -9.245 -4.578 1.00 24.43 N ATOM 474 CA CYS A 33 -8.571 -10.465 -3.787 1.00 62.13 C ATOM 475 C CYS A 33 -8.822 -10.140 -2.318 1.00 1.33 C ATOM 476 O CYS A 33 -9.879 -10.454 -1.773 1.00 71.51 O ATOM 477 CB CYS A 33 -7.300 -11.307 -3.925 1.00 14.42 C ATOM 478 SG CYS A 33 -7.609 -13.089 -4.138 1.00 22.35 S ATOM 0 H CYS A 33 -7.579 -9.152 -5.087 1.00 24.43 H new ATOM 0 HA CYS A 33 -9.420 -11.035 -4.164 1.00 62.13 H new ATOM 0 HB2 CYS A 33 -6.727 -10.944 -4.778 1.00 14.42 H new ATOM 0 HB3 CYS A 33 -6.681 -11.160 -3.040 1.00 14.42 H new ATOM 483 N GLY A 34 -7.841 -9.506 -1.681 1.00 70.44 N ATOM 484 CA GLY A 34 -7.975 -9.148 -0.281 1.00 63.54 C ATOM 485 C GLY A 34 -6.902 -9.780 0.583 1.00 2.24 C ATOM 486 O GLY A 34 -7.175 -10.225 1.698 1.00 55.24 O ATOM 0 H GLY A 34 -6.956 -9.234 -2.110 1.00 70.44 H new ATOM 0 HA2 GLY A 34 -7.927 -8.064 -0.180 1.00 63.54 H new ATOM 0 HA3 GLY A 34 -8.956 -9.458 0.078 1.00 63.54 H new ATOM 490 N ALA A 35 -5.677 -9.820 0.069 1.00 71.41 N ATOM 491 CA ALA A 35 -4.559 -10.402 0.802 1.00 54.31 C ATOM 492 C ALA A 35 -3.690 -9.317 1.429 1.00 52.35 C ATOM 493 O ALA A 35 -3.739 -9.089 2.638 1.00 51.33 O ATOM 494 CB ALA A 35 -3.726 -11.283 -0.117 1.00 54.43 C ATOM 0 H ALA A 35 -5.434 -9.456 -0.852 1.00 71.41 H new ATOM 0 HA ALA A 35 -4.964 -11.016 1.606 1.00 54.31 H new ATOM 0 HB1 ALA A 35 -2.895 -11.711 0.444 1.00 54.43 H new ATOM 0 HB2 ALA A 35 -4.348 -12.086 -0.513 1.00 54.43 H new ATOM 0 HB3 ALA A 35 -3.338 -10.685 -0.941 1.00 54.43 H new ATOM 500 N CYS A 36 -2.894 -8.650 0.599 1.00 33.20 N ATOM 501 CA CYS A 36 -2.013 -7.590 1.071 1.00 4.43 C ATOM 502 C CYS A 36 -2.439 -6.237 0.508 1.00 1.22 C ATOM 503 O CYS A 36 -3.474 -6.126 -0.150 1.00 5.12 O ATOM 504 CB CYS A 36 -0.565 -7.886 0.674 1.00 32.33 C ATOM 505 SG CYS A 36 0.642 -6.678 1.307 1.00 1.05 S ATOM 0 H CYS A 36 -2.842 -8.826 -0.404 1.00 33.20 H new ATOM 0 HA CYS A 36 -2.084 -7.551 2.158 1.00 4.43 H new ATOM 0 HB2 CYS A 36 -0.295 -8.878 1.038 1.00 32.33 H new ATOM 0 HB3 CYS A 36 -0.497 -7.916 -0.413 1.00 32.33 H new TER 510 CYS A 36