USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 608 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 53 THR OG1 : rot 180:sc= 0.971 USER MOD Set 1.2: A 56 SER OG : rot 63:sc= 1.26 USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -159:sc= -0.136 (180deg=-0.71) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00177 USER MOD Single : A 24 LYS NZ :NH3+ -155:sc= 1.11 (180deg=0.887) USER MOD Single : A 29 SER OG : rot 79:sc= 1.21 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= 1.29 (180deg=1.12) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 84:sc= -1.08 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.134 K(o=0.13,f=-8.6!) USER MOD Single : A 50 SER OG : rot -170:sc= 0.233 USER MOD Single : A 57 LYS NZ :NH3+ -168:sc= 1.27 (180deg=1.05) USER MOD Single : A 64 LYS NZ :NH3+ 153:sc= -2.28! (180deg=-3.93!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.12 USER MOD Single : A 71 LYS NZ :NH3+ -167:sc=-0.00139 (180deg=-0.166) USER MOD Single : A 77 LYS NZ :NH3+ -112:sc= -0.384 (180deg=-1.98!) USER MOD Single : A 78 THR OG1 : rot 145:sc= -2.49! USER MOD Single : A 80 SER OG : rot -38:sc= 0.0104 USER MOD ----------------------------------------------------------------- ATOM 61 N PHE A 6 14.003 -3.120 -8.213 1.00 51.43 N ATOM 62 CA PHE A 6 14.004 -3.330 -6.773 1.00 4.54 C ATOM 63 C PHE A 6 14.793 -4.586 -6.429 1.00 43.30 C ATOM 64 O PHE A 6 15.114 -5.388 -7.308 1.00 22.41 O ATOM 65 CB PHE A 6 12.577 -3.456 -6.226 1.00 24.34 C ATOM 66 CG PHE A 6 11.837 -2.152 -6.116 1.00 45.33 C ATOM 67 CD1 PHE A 6 12.250 -1.182 -5.216 1.00 71.04 C ATOM 68 CD2 PHE A 6 10.724 -1.901 -6.901 1.00 2.23 C ATOM 69 CE1 PHE A 6 11.568 0.014 -5.102 1.00 10.31 C ATOM 70 CE2 PHE A 6 10.036 -0.708 -6.788 1.00 75.01 C ATOM 71 CZ PHE A 6 10.458 0.250 -5.890 1.00 22.41 C ATOM 0 HA PHE A 6 14.474 -2.462 -6.310 1.00 4.54 H new ATOM 0 HB2 PHE A 6 12.011 -4.128 -6.872 1.00 24.34 H new ATOM 0 HB3 PHE A 6 12.618 -3.921 -5.241 1.00 24.34 H new ATOM 0 HD1 PHE A 6 13.116 -1.363 -4.596 1.00 71.04 H new ATOM 0 HD2 PHE A 6 10.390 -2.645 -7.609 1.00 2.23 H new ATOM 0 HE1 PHE A 6 11.902 0.763 -4.399 1.00 10.31 H new ATOM 0 HE2 PHE A 6 9.167 -0.526 -7.403 1.00 75.01 H new ATOM 0 HZ PHE A 6 9.922 1.183 -5.803 1.00 22.41 H new ATOM 81 N ILE A 7 15.118 -4.742 -5.155 1.00 24.43 N ATOM 82 CA ILE A 7 15.769 -5.951 -4.678 1.00 21.41 C ATOM 83 C ILE A 7 14.802 -7.125 -4.773 1.00 1.10 C ATOM 84 O ILE A 7 15.171 -8.230 -5.176 1.00 13.55 O ATOM 85 CB ILE A 7 16.238 -5.796 -3.216 1.00 55.14 C ATOM 86 CG1 ILE A 7 17.140 -4.566 -3.068 1.00 23.14 C ATOM 87 CG2 ILE A 7 16.965 -7.051 -2.756 1.00 20.22 C ATOM 88 CD1 ILE A 7 17.553 -4.283 -1.641 1.00 44.21 C ATOM 0 H ILE A 7 14.941 -4.045 -4.432 1.00 24.43 H new ATOM 0 HA ILE A 7 16.643 -6.133 -5.303 1.00 21.41 H new ATOM 0 HB ILE A 7 15.361 -5.655 -2.585 1.00 55.14 H new ATOM 0 HG12 ILE A 7 18.035 -4.707 -3.675 1.00 23.14 H new ATOM 0 HG13 ILE A 7 16.620 -3.695 -3.466 1.00 23.14 H new ATOM 0 HG21 ILE A 7 17.289 -6.926 -1.723 1.00 20.22 H new ATOM 0 HG22 ILE A 7 16.293 -7.906 -2.824 1.00 20.22 H new ATOM 0 HG23 ILE A 7 17.834 -7.221 -3.391 1.00 20.22 H new ATOM 0 HD11 ILE A 7 18.190 -3.399 -1.615 1.00 44.21 H new ATOM 0 HD12 ILE A 7 16.665 -4.109 -1.033 1.00 44.21 H new ATOM 0 HD13 ILE A 7 18.102 -5.137 -1.245 1.00 44.21 H new ATOM 100 N ILE A 8 13.557 -6.864 -4.407 1.00 44.22 N ATOM 101 CA ILE A 8 12.511 -7.866 -4.463 1.00 33.33 C ATOM 102 C ILE A 8 11.779 -7.805 -5.795 1.00 23.22 C ATOM 103 O ILE A 8 11.299 -6.749 -6.205 1.00 61.32 O ATOM 104 CB ILE A 8 11.509 -7.677 -3.308 1.00 30.12 C ATOM 105 CG1 ILE A 8 12.228 -7.849 -1.972 1.00 41.44 C ATOM 106 CG2 ILE A 8 10.356 -8.662 -3.431 1.00 2.34 C ATOM 107 CD1 ILE A 8 11.372 -7.519 -0.768 1.00 62.23 C ATOM 0 H ILE A 8 13.247 -5.955 -4.064 1.00 44.22 H new ATOM 0 HA ILE A 8 12.981 -8.844 -4.363 1.00 33.33 H new ATOM 0 HB ILE A 8 11.095 -6.670 -3.359 1.00 30.12 H new ATOM 0 HG12 ILE A 8 12.575 -8.879 -1.887 1.00 41.44 H new ATOM 0 HG13 ILE A 8 13.113 -7.212 -1.962 1.00 41.44 H new ATOM 0 HG21 ILE A 8 9.660 -8.512 -2.606 1.00 2.34 H new ATOM 0 HG22 ILE A 8 9.838 -8.500 -4.377 1.00 2.34 H new ATOM 0 HG23 ILE A 8 10.743 -9.681 -3.399 1.00 2.34 H new ATOM 0 HD11 ILE A 8 11.953 -7.666 0.143 1.00 62.23 H new ATOM 0 HD12 ILE A 8 11.046 -6.481 -0.827 1.00 62.23 H new ATOM 0 HD13 ILE A 8 10.500 -8.173 -0.751 1.00 62.23 H new ATOM 119 N LYS A 9 11.700 -8.943 -6.458 1.00 73.41 N ATOM 120 CA LYS A 9 11.058 -9.040 -7.758 1.00 25.15 C ATOM 121 C LYS A 9 9.595 -9.441 -7.614 1.00 72.04 C ATOM 122 O LYS A 9 9.170 -9.881 -6.545 1.00 22.32 O ATOM 123 CB LYS A 9 11.787 -10.067 -8.620 1.00 21.30 C ATOM 124 CG LYS A 9 11.914 -11.425 -7.956 1.00 55.13 C ATOM 125 CD LYS A 9 12.655 -12.414 -8.830 1.00 15.41 C ATOM 126 CE LYS A 9 12.982 -13.682 -8.061 1.00 23.11 C ATOM 127 NZ LYS A 9 13.820 -13.396 -6.865 1.00 70.11 N ATOM 0 H LYS A 9 12.078 -9.825 -6.113 1.00 73.41 H new ATOM 0 HA LYS A 9 11.104 -8.061 -8.236 1.00 25.15 H new ATOM 0 HB2 LYS A 9 11.256 -10.181 -9.565 1.00 21.30 H new ATOM 0 HB3 LYS A 9 12.782 -9.691 -8.857 1.00 21.30 H new ATOM 0 HG2 LYS A 9 12.437 -11.317 -7.006 1.00 55.13 H new ATOM 0 HG3 LYS A 9 10.921 -11.813 -7.730 1.00 55.13 H new ATOM 0 HD2 LYS A 9 12.049 -12.659 -9.702 1.00 15.41 H new ATOM 0 HD3 LYS A 9 13.575 -11.961 -9.199 1.00 15.41 H new ATOM 0 HE2 LYS A 9 12.057 -14.169 -7.750 1.00 23.11 H new ATOM 0 HE3 LYS A 9 13.505 -14.380 -8.714 1.00 23.11 H new ATOM 0 HZ1 LYS A 9 14.314 -14.263 -6.572 1.00 70.11 H new ATOM 0 HZ2 LYS A 9 14.518 -12.662 -7.098 1.00 70.11 H new ATOM 0 HZ3 LYS A 9 13.214 -13.063 -6.088 1.00 70.11 H new ATOM 141 N GLU A 10 8.846 -9.282 -8.699 1.00 75.13 N ATOM 142 CA GLU A 10 7.446 -9.667 -8.766 1.00 55.23 C ATOM 143 C GLU A 10 7.262 -11.177 -8.591 1.00 62.21 C ATOM 144 O GLU A 10 8.221 -11.950 -8.691 1.00 20.12 O ATOM 145 CB GLU A 10 6.892 -9.235 -10.120 1.00 22.22 C ATOM 146 CG GLU A 10 6.691 -7.737 -10.254 1.00 24.42 C ATOM 147 CD GLU A 10 5.360 -7.282 -9.700 1.00 71.45 C ATOM 148 OE1 GLU A 10 5.187 -7.277 -8.464 1.00 73.52 O ATOM 149 OE2 GLU A 10 4.469 -6.949 -10.510 1.00 23.13 O ATOM 0 H GLU A 10 9.200 -8.877 -9.566 1.00 75.13 H new ATOM 0 HA GLU A 10 6.910 -9.177 -7.953 1.00 55.23 H new ATOM 0 HB2 GLU A 10 7.571 -9.572 -10.903 1.00 22.22 H new ATOM 0 HB3 GLU A 10 5.938 -9.736 -10.288 1.00 22.22 H new ATOM 0 HG2 GLU A 10 7.495 -7.217 -9.733 1.00 24.42 H new ATOM 0 HG3 GLU A 10 6.759 -7.457 -11.305 1.00 24.42 H new ATOM 156 N GLY A 11 6.022 -11.589 -8.346 1.00 45.13 N ATOM 157 CA GLY A 11 5.719 -12.992 -8.154 1.00 53.25 C ATOM 158 C GLY A 11 4.265 -13.202 -7.800 1.00 43.24 C ATOM 159 O GLY A 11 3.430 -12.335 -8.051 1.00 73.34 O ATOM 0 H GLY A 11 5.216 -10.968 -8.277 1.00 45.13 H new ATOM 0 HA2 GLY A 11 5.956 -13.544 -9.063 1.00 53.25 H new ATOM 0 HA3 GLY A 11 6.349 -13.396 -7.362 1.00 53.25 H new ATOM 163 N ASP A 12 3.955 -14.343 -7.215 1.00 51.13 N ATOM 164 CA ASP A 12 2.589 -14.638 -6.801 1.00 41.14 C ATOM 165 C ASP A 12 2.367 -14.167 -5.375 1.00 4.34 C ATOM 166 O ASP A 12 1.255 -13.816 -4.981 1.00 64.41 O ATOM 167 CB ASP A 12 2.292 -16.138 -6.909 1.00 73.34 C ATOM 168 CG ASP A 12 2.087 -16.597 -8.341 1.00 44.03 C ATOM 169 OD1 ASP A 12 3.087 -16.773 -9.065 1.00 1.55 O ATOM 170 OD2 ASP A 12 0.919 -16.800 -8.745 1.00 12.21 O ATOM 0 H ASP A 12 4.627 -15.083 -7.014 1.00 51.13 H new ATOM 0 HA ASP A 12 1.909 -14.107 -7.467 1.00 41.14 H new ATOM 0 HB2 ASP A 12 3.115 -16.699 -6.467 1.00 73.34 H new ATOM 0 HB3 ASP A 12 1.400 -16.370 -6.327 1.00 73.34 H new ATOM 175 N GLU A 13 3.447 -14.142 -4.618 1.00 43.34 N ATOM 176 CA GLU A 13 3.413 -13.729 -3.224 1.00 4.31 C ATOM 177 C GLU A 13 3.875 -12.285 -3.100 1.00 32.21 C ATOM 178 O GLU A 13 3.987 -11.742 -2.003 1.00 70.44 O ATOM 179 CB GLU A 13 4.316 -14.631 -2.372 1.00 2.03 C ATOM 180 CG GLU A 13 5.804 -14.495 -2.686 1.00 72.03 C ATOM 181 CD GLU A 13 6.223 -15.213 -3.953 1.00 0.11 C ATOM 182 OE1 GLU A 13 5.994 -14.674 -5.057 1.00 32.01 O ATOM 183 OE2 GLU A 13 6.795 -16.316 -3.846 1.00 34.34 O ATOM 0 H GLU A 13 4.374 -14.407 -4.950 1.00 43.34 H new ATOM 0 HA GLU A 13 2.388 -13.816 -2.864 1.00 4.31 H new ATOM 0 HB2 GLU A 13 4.155 -14.399 -1.319 1.00 2.03 H new ATOM 0 HB3 GLU A 13 4.018 -15.669 -2.519 1.00 2.03 H new ATOM 0 HG2 GLU A 13 6.053 -13.438 -2.778 1.00 72.03 H new ATOM 0 HG3 GLU A 13 6.381 -14.886 -1.848 1.00 72.03 H new ATOM 190 N VAL A 14 4.148 -11.675 -4.238 1.00 64.34 N ATOM 191 CA VAL A 14 4.695 -10.333 -4.272 1.00 55.42 C ATOM 192 C VAL A 14 3.652 -9.330 -4.751 1.00 12.14 C ATOM 193 O VAL A 14 2.843 -9.633 -5.631 1.00 73.33 O ATOM 194 CB VAL A 14 5.930 -10.274 -5.194 1.00 33.44 C ATOM 195 CG1 VAL A 14 6.544 -8.887 -5.207 1.00 1.31 C ATOM 196 CG2 VAL A 14 6.959 -11.307 -4.772 1.00 34.01 C ATOM 0 H VAL A 14 3.998 -12.092 -5.157 1.00 64.34 H new ATOM 0 HA VAL A 14 4.993 -10.071 -3.257 1.00 55.42 H new ATOM 0 HB VAL A 14 5.600 -10.503 -6.208 1.00 33.44 H new ATOM 0 HG11 VAL A 14 7.412 -8.880 -5.866 1.00 1.31 H new ATOM 0 HG12 VAL A 14 5.809 -8.167 -5.567 1.00 1.31 H new ATOM 0 HG13 VAL A 14 6.853 -8.616 -4.197 1.00 1.31 H new ATOM 0 HG21 VAL A 14 7.823 -11.251 -5.434 1.00 34.01 H new ATOM 0 HG22 VAL A 14 7.273 -11.110 -3.747 1.00 34.01 H new ATOM 0 HG23 VAL A 14 6.520 -12.303 -4.832 1.00 34.01 H new ATOM 206 N ALA A 15 3.670 -8.146 -4.155 1.00 53.00 N ATOM 207 CA ALA A 15 2.793 -7.057 -4.556 1.00 75.22 C ATOM 208 C ALA A 15 3.336 -5.738 -4.035 1.00 3.02 C ATOM 209 O ALA A 15 3.462 -5.545 -2.826 1.00 25.22 O ATOM 210 CB ALA A 15 1.375 -7.281 -4.042 1.00 15.15 C ATOM 0 H ALA A 15 4.292 -7.914 -3.381 1.00 53.00 H new ATOM 0 HA ALA A 15 2.758 -7.026 -5.645 1.00 75.22 H new ATOM 0 HB1 ALA A 15 0.739 -6.453 -4.355 1.00 15.15 H new ATOM 0 HB2 ALA A 15 0.983 -8.213 -4.449 1.00 15.15 H new ATOM 0 HB3 ALA A 15 1.387 -7.337 -2.954 1.00 15.15 H new ATOM 216 N ASP A 16 3.700 -4.844 -4.939 1.00 20.43 N ATOM 217 CA ASP A 16 4.122 -3.519 -4.539 1.00 50.23 C ATOM 218 C ASP A 16 2.933 -2.586 -4.499 1.00 75.14 C ATOM 219 O ASP A 16 2.006 -2.696 -5.306 1.00 12.31 O ATOM 220 CB ASP A 16 5.207 -2.948 -5.463 1.00 3.45 C ATOM 221 CG ASP A 16 4.793 -2.849 -6.917 1.00 11.44 C ATOM 222 OD1 ASP A 16 4.086 -1.891 -7.285 1.00 24.23 O ATOM 223 OD2 ASP A 16 5.193 -3.729 -7.701 1.00 10.11 O ATOM 0 H ASP A 16 3.711 -5.012 -5.945 1.00 20.43 H new ATOM 0 HA ASP A 16 4.556 -3.605 -3.543 1.00 50.23 H new ATOM 0 HB2 ASP A 16 5.486 -1.956 -5.108 1.00 3.45 H new ATOM 0 HB3 ASP A 16 6.096 -3.574 -5.392 1.00 3.45 H new ATOM 228 N VAL A 17 2.954 -1.695 -3.535 1.00 74.03 N ATOM 229 CA VAL A 17 1.913 -0.703 -3.396 1.00 73.45 C ATOM 230 C VAL A 17 2.489 0.672 -3.647 1.00 41.52 C ATOM 231 O VAL A 17 3.472 1.083 -3.026 1.00 51.40 O ATOM 232 CB VAL A 17 1.262 -0.719 -2.001 1.00 24.41 C ATOM 233 CG1 VAL A 17 0.028 0.169 -1.974 1.00 61.31 C ATOM 234 CG2 VAL A 17 0.919 -2.136 -1.568 1.00 52.34 C ATOM 0 H VAL A 17 3.688 -1.637 -2.829 1.00 74.03 H new ATOM 0 HA VAL A 17 1.142 -0.944 -4.128 1.00 73.45 H new ATOM 0 HB VAL A 17 1.986 -0.321 -1.290 1.00 24.41 H new ATOM 0 HG11 VAL A 17 -0.417 0.144 -0.979 1.00 61.31 H new ATOM 0 HG12 VAL A 17 0.311 1.193 -2.219 1.00 61.31 H new ATOM 0 HG13 VAL A 17 -0.696 -0.192 -2.705 1.00 61.31 H new ATOM 0 HG21 VAL A 17 0.461 -2.113 -0.579 1.00 52.34 H new ATOM 0 HG22 VAL A 17 0.222 -2.576 -2.281 1.00 52.34 H new ATOM 0 HG23 VAL A 17 1.828 -2.736 -1.533 1.00 52.34 H new ATOM 244 N THR A 18 1.878 1.362 -4.570 1.00 52.43 N ATOM 245 CA THR A 18 2.281 2.704 -4.908 1.00 72.33 C ATOM 246 C THR A 18 1.367 3.686 -4.191 1.00 22.45 C ATOM 247 O THR A 18 0.174 3.763 -4.484 1.00 4.13 O ATOM 248 CB THR A 18 2.225 2.930 -6.431 1.00 22.01 C ATOM 249 OG1 THR A 18 3.004 1.927 -7.104 1.00 54.24 O ATOM 250 CG2 THR A 18 2.749 4.312 -6.801 1.00 51.23 C ATOM 0 H THR A 18 1.087 1.012 -5.110 1.00 52.43 H new ATOM 0 HA THR A 18 3.312 2.860 -4.590 1.00 72.33 H new ATOM 0 HB THR A 18 1.183 2.859 -6.744 1.00 22.01 H new ATOM 0 HG1 THR A 18 2.963 2.076 -8.072 1.00 54.24 H new ATOM 0 HG21 THR A 18 2.697 4.443 -7.882 1.00 51.23 H new ATOM 0 HG22 THR A 18 2.141 5.074 -6.314 1.00 51.23 H new ATOM 0 HG23 THR A 18 3.784 4.409 -6.473 1.00 51.23 H new ATOM 258 N ILE A 19 1.919 4.402 -3.231 1.00 72.40 N ATOM 259 CA ILE A 19 1.127 5.313 -2.425 1.00 21.31 C ATOM 260 C ILE A 19 1.272 6.724 -2.961 1.00 20.43 C ATOM 261 O ILE A 19 2.372 7.159 -3.290 1.00 73.13 O ATOM 262 CB ILE A 19 1.557 5.292 -0.948 1.00 4.54 C ATOM 263 CG1 ILE A 19 1.769 3.852 -0.476 1.00 5.33 C ATOM 264 CG2 ILE A 19 0.516 5.991 -0.082 1.00 24.45 C ATOM 265 CD1 ILE A 19 2.355 3.749 0.914 1.00 52.01 C ATOM 0 H ILE A 19 2.910 4.372 -2.990 1.00 72.40 H new ATOM 0 HA ILE A 19 0.089 4.987 -2.483 1.00 21.31 H new ATOM 0 HB ILE A 19 2.501 5.829 -0.853 1.00 4.54 H new ATOM 0 HG12 ILE A 19 0.814 3.327 -0.498 1.00 5.33 H new ATOM 0 HG13 ILE A 19 2.429 3.342 -1.178 1.00 5.33 H new ATOM 0 HG21 ILE A 19 0.835 5.968 0.960 1.00 24.45 H new ATOM 0 HG22 ILE A 19 0.409 7.026 -0.406 1.00 24.45 H new ATOM 0 HG23 ILE A 19 -0.442 5.480 -0.180 1.00 24.45 H new ATOM 0 HD11 ILE A 19 2.477 2.699 1.181 1.00 52.01 H new ATOM 0 HD12 ILE A 19 3.326 4.244 0.937 1.00 52.01 H new ATOM 0 HD13 ILE A 19 1.685 4.229 1.628 1.00 52.01 H new ATOM 277 N PHE A 20 0.159 7.421 -3.047 1.00 13.40 N ATOM 278 CA PHE A 20 0.133 8.762 -3.600 1.00 64.21 C ATOM 279 C PHE A 20 -0.719 9.684 -2.739 1.00 41.52 C ATOM 280 O PHE A 20 -1.806 9.308 -2.291 1.00 72.44 O ATOM 281 CB PHE A 20 -0.375 8.737 -5.050 1.00 11.13 C ATOM 282 CG PHE A 20 -1.526 7.796 -5.294 1.00 51.35 C ATOM 283 CD1 PHE A 20 -2.827 8.171 -5.003 1.00 20.54 C ATOM 284 CD2 PHE A 20 -1.300 6.533 -5.823 1.00 32.34 C ATOM 285 CE1 PHE A 20 -3.880 7.307 -5.232 1.00 2.24 C ATOM 286 CE2 PHE A 20 -2.350 5.665 -6.054 1.00 62.41 C ATOM 287 CZ PHE A 20 -3.641 6.053 -5.758 1.00 62.14 C ATOM 0 H PHE A 20 -0.750 7.078 -2.738 1.00 13.40 H new ATOM 0 HA PHE A 20 1.151 9.153 -3.604 1.00 64.21 H new ATOM 0 HB2 PHE A 20 -0.680 9.745 -5.332 1.00 11.13 H new ATOM 0 HB3 PHE A 20 0.450 8.459 -5.706 1.00 11.13 H new ATOM 0 HD1 PHE A 20 -3.021 9.151 -4.592 1.00 20.54 H new ATOM 0 HD2 PHE A 20 -0.292 6.225 -6.057 1.00 32.34 H new ATOM 0 HE1 PHE A 20 -4.890 7.612 -5.000 1.00 2.24 H new ATOM 0 HE2 PHE A 20 -2.161 4.685 -6.465 1.00 62.41 H new ATOM 0 HZ PHE A 20 -4.463 5.376 -5.938 1.00 62.14 H new ATOM 297 N ALA A 21 -0.209 10.881 -2.496 1.00 60.44 N ATOM 298 CA ALA A 21 -0.901 11.876 -1.684 1.00 0.44 C ATOM 299 C ALA A 21 -0.298 13.253 -1.923 1.00 13.32 C ATOM 300 O ALA A 21 0.634 13.392 -2.712 1.00 15.44 O ATOM 301 CB ALA A 21 -0.837 11.509 -0.209 1.00 24.02 C ATOM 0 H ALA A 21 0.694 11.192 -2.854 1.00 60.44 H new ATOM 0 HA ALA A 21 -1.950 11.897 -1.978 1.00 0.44 H new ATOM 0 HB1 ALA A 21 -1.359 12.265 0.377 1.00 24.02 H new ATOM 0 HB2 ALA A 21 -1.310 10.539 -0.055 1.00 24.02 H new ATOM 0 HB3 ALA A 21 0.204 11.459 0.109 1.00 24.02 H new ATOM 307 N GLU A 22 -0.821 14.264 -1.240 1.00 54.31 N ATOM 308 CA GLU A 22 -0.398 15.637 -1.474 1.00 72.12 C ATOM 309 C GLU A 22 0.697 16.087 -0.508 1.00 50.14 C ATOM 310 O GLU A 22 1.350 17.104 -0.741 1.00 22.25 O ATOM 311 CB GLU A 22 -1.602 16.566 -1.360 1.00 2.31 C ATOM 312 CG GLU A 22 -2.680 16.283 -2.390 1.00 3.32 C ATOM 313 CD GLU A 22 -2.221 16.568 -3.806 1.00 50.51 C ATOM 314 OE1 GLU A 22 -2.291 17.739 -4.231 1.00 74.35 O ATOM 315 OE2 GLU A 22 -1.790 15.623 -4.503 1.00 41.20 O ATOM 0 H GLU A 22 -1.537 14.158 -0.521 1.00 54.31 H new ATOM 0 HA GLU A 22 0.023 15.683 -2.478 1.00 72.12 H new ATOM 0 HB2 GLU A 22 -2.030 16.473 -0.362 1.00 2.31 H new ATOM 0 HB3 GLU A 22 -1.267 17.598 -1.469 1.00 2.31 H new ATOM 0 HG2 GLU A 22 -2.985 15.239 -2.314 1.00 3.32 H new ATOM 0 HG3 GLU A 22 -3.558 16.889 -2.168 1.00 3.32 H new ATOM 322 N THR A 23 0.891 15.352 0.580 1.00 51.23 N ATOM 323 CA THR A 23 1.886 15.734 1.576 1.00 62.42 C ATOM 324 C THR A 23 2.741 14.546 2.003 1.00 14.11 C ATOM 325 O THR A 23 2.320 13.391 1.907 1.00 5.33 O ATOM 326 CB THR A 23 1.220 16.337 2.828 1.00 43.41 C ATOM 327 OG1 THR A 23 0.270 15.409 3.362 1.00 12.41 O ATOM 328 CG2 THR A 23 0.528 17.655 2.506 1.00 12.21 C ATOM 0 H THR A 23 0.379 14.496 0.795 1.00 51.23 H new ATOM 0 HA THR A 23 2.523 16.482 1.104 1.00 62.42 H new ATOM 0 HB THR A 23 1.998 16.535 3.566 1.00 43.41 H new ATOM 0 HG1 THR A 23 -0.151 15.794 4.159 1.00 12.41 H new ATOM 0 HG21 THR A 23 0.068 18.055 3.410 1.00 12.21 H new ATOM 0 HG22 THR A 23 1.260 18.367 2.126 1.00 12.21 H new ATOM 0 HG23 THR A 23 -0.240 17.488 1.751 1.00 12.21 H new ATOM 336 N LYS A 24 3.937 14.847 2.494 1.00 65.20 N ATOM 337 CA LYS A 24 4.853 13.827 2.992 1.00 45.03 C ATOM 338 C LYS A 24 4.267 13.153 4.219 1.00 1.25 C ATOM 339 O LYS A 24 4.340 11.936 4.369 1.00 41.12 O ATOM 340 CB LYS A 24 6.199 14.461 3.340 1.00 53.21 C ATOM 341 CG LYS A 24 7.225 13.478 3.881 1.00 71.20 C ATOM 342 CD LYS A 24 8.522 14.179 4.249 1.00 22.10 C ATOM 343 CE LYS A 24 8.299 15.270 5.288 1.00 52.32 C ATOM 344 NZ LYS A 24 7.928 14.722 6.622 1.00 64.42 N ATOM 0 H LYS A 24 4.298 15.799 2.558 1.00 65.20 H new ATOM 0 HA LYS A 24 5.002 13.077 2.215 1.00 45.03 H new ATOM 0 HB2 LYS A 24 6.605 14.940 2.449 1.00 53.21 H new ATOM 0 HB3 LYS A 24 6.039 15.246 4.079 1.00 53.21 H new ATOM 0 HG2 LYS A 24 6.821 12.973 4.758 1.00 71.20 H new ATOM 0 HG3 LYS A 24 7.424 12.709 3.134 1.00 71.20 H new ATOM 0 HD2 LYS A 24 9.233 13.449 4.635 1.00 22.10 H new ATOM 0 HD3 LYS A 24 8.967 14.614 3.354 1.00 22.10 H new ATOM 0 HE2 LYS A 24 9.206 15.867 5.384 1.00 52.32 H new ATOM 0 HE3 LYS A 24 7.512 15.940 4.943 1.00 52.32 H new ATOM 0 HZ1 LYS A 24 7.392 15.437 7.154 1.00 64.42 H new ATOM 0 HZ2 LYS A 24 7.342 13.872 6.497 1.00 64.42 H new ATOM 0 HZ3 LYS A 24 8.791 14.474 7.148 1.00 64.42 H new ATOM 358 N ASP A 25 3.675 13.963 5.085 1.00 34.53 N ATOM 359 CA ASP A 25 3.047 13.469 6.298 1.00 43.34 C ATOM 360 C ASP A 25 1.962 12.449 5.972 1.00 14.13 C ATOM 361 O ASP A 25 1.771 11.473 6.700 1.00 40.31 O ATOM 362 CB ASP A 25 2.453 14.629 7.091 1.00 73.23 C ATOM 363 CG ASP A 25 3.512 15.502 7.736 1.00 4.33 C ATOM 364 OD1 ASP A 25 3.942 15.189 8.864 1.00 14.33 O ATOM 365 OD2 ASP A 25 3.919 16.509 7.116 1.00 72.42 O ATOM 0 H ASP A 25 3.617 14.974 4.966 1.00 34.53 H new ATOM 0 HA ASP A 25 3.810 12.977 6.902 1.00 43.34 H new ATOM 0 HB2 ASP A 25 1.839 15.239 6.429 1.00 73.23 H new ATOM 0 HB3 ASP A 25 1.793 14.235 7.864 1.00 73.23 H new ATOM 370 N ALA A 26 1.253 12.672 4.871 1.00 72.12 N ATOM 371 CA ALA A 26 0.251 11.724 4.420 1.00 43.41 C ATOM 372 C ALA A 26 0.911 10.438 3.950 1.00 2.22 C ATOM 373 O ALA A 26 0.478 9.349 4.319 1.00 74.31 O ATOM 374 CB ALA A 26 -0.599 12.330 3.317 1.00 12.11 C ATOM 0 H ALA A 26 1.355 13.497 4.280 1.00 72.12 H new ATOM 0 HA ALA A 26 -0.403 11.485 5.259 1.00 43.41 H new ATOM 0 HB1 ALA A 26 -1.344 11.604 2.992 1.00 12.11 H new ATOM 0 HB2 ALA A 26 -1.100 13.222 3.693 1.00 12.11 H new ATOM 0 HB3 ALA A 26 0.037 12.599 2.474 1.00 12.11 H new ATOM 380 N LEU A 27 1.965 10.574 3.146 1.00 41.34 N ATOM 381 CA LEU A 27 2.741 9.427 2.679 1.00 33.05 C ATOM 382 C LEU A 27 3.219 8.584 3.857 1.00 64.03 C ATOM 383 O LEU A 27 3.020 7.369 3.880 1.00 62.04 O ATOM 384 CB LEU A 27 3.949 9.897 1.859 1.00 54.31 C ATOM 385 CG LEU A 27 3.751 9.964 0.340 1.00 3.12 C ATOM 386 CD1 LEU A 27 2.636 10.925 -0.026 1.00 2.40 C ATOM 387 CD2 LEU A 27 5.046 10.375 -0.344 1.00 33.21 C ATOM 0 H LEU A 27 2.302 11.473 2.803 1.00 41.34 H new ATOM 0 HA LEU A 27 2.095 8.817 2.048 1.00 33.05 H new ATOM 0 HB2 LEU A 27 4.238 10.887 2.211 1.00 54.31 H new ATOM 0 HB3 LEU A 27 4.785 9.229 2.066 1.00 54.31 H new ATOM 0 HG LEU A 27 3.467 8.970 -0.006 1.00 3.12 H new ATOM 0 HD11 LEU A 27 2.519 10.951 -1.109 1.00 2.40 H new ATOM 0 HD12 LEU A 27 1.704 10.592 0.431 1.00 2.40 H new ATOM 0 HD13 LEU A 27 2.882 11.923 0.337 1.00 2.40 H new ATOM 0 HD21 LEU A 27 4.890 10.418 -1.422 1.00 33.21 H new ATOM 0 HD22 LEU A 27 5.353 11.356 0.018 1.00 33.21 H new ATOM 0 HD23 LEU A 27 5.824 9.645 -0.119 1.00 33.21 H new ATOM 399 N GLU A 28 3.831 9.244 4.838 1.00 62.21 N ATOM 400 CA GLU A 28 4.328 8.584 6.033 1.00 21.15 C ATOM 401 C GLU A 28 3.212 7.832 6.754 1.00 23.22 C ATOM 402 O GLU A 28 3.383 6.678 7.153 1.00 25.31 O ATOM 403 CB GLU A 28 4.939 9.623 6.968 1.00 64.34 C ATOM 404 CG GLU A 28 6.159 10.329 6.397 1.00 44.42 C ATOM 405 CD GLU A 28 6.700 11.393 7.329 1.00 15.44 C ATOM 406 OE1 GLU A 28 7.360 11.034 8.329 1.00 40.32 O ATOM 407 OE2 GLU A 28 6.463 12.593 7.079 1.00 4.32 O ATOM 0 H GLU A 28 3.994 10.251 4.822 1.00 62.21 H new ATOM 0 HA GLU A 28 5.086 7.859 5.737 1.00 21.15 H new ATOM 0 HB2 GLU A 28 4.181 10.368 7.211 1.00 64.34 H new ATOM 0 HB3 GLU A 28 5.218 9.136 7.902 1.00 64.34 H new ATOM 0 HG2 GLU A 28 6.939 9.595 6.196 1.00 44.42 H new ATOM 0 HG3 GLU A 28 5.898 10.785 5.442 1.00 44.42 H new ATOM 414 N SER A 29 2.066 8.487 6.905 1.00 10.35 N ATOM 415 CA SER A 29 0.946 7.905 7.622 1.00 23.21 C ATOM 416 C SER A 29 0.375 6.703 6.876 1.00 10.22 C ATOM 417 O SER A 29 0.146 5.649 7.473 1.00 10.23 O ATOM 418 CB SER A 29 -0.131 8.962 7.837 1.00 22.22 C ATOM 419 OG SER A 29 0.383 10.059 8.583 1.00 30.05 O ATOM 0 H SER A 29 1.892 9.423 6.538 1.00 10.35 H new ATOM 0 HA SER A 29 1.302 7.553 8.590 1.00 23.21 H new ATOM 0 HB2 SER A 29 -0.501 9.313 6.874 1.00 22.22 H new ATOM 0 HB3 SER A 29 -0.979 8.523 8.363 1.00 22.22 H new ATOM 0 HG SER A 29 0.908 10.639 7.993 1.00 30.05 H new ATOM 425 N GLU A 30 0.165 6.856 5.573 1.00 40.11 N ATOM 426 CA GLU A 30 -0.388 5.802 4.759 1.00 71.33 C ATOM 427 C GLU A 30 0.552 4.603 4.696 1.00 45.01 C ATOM 428 O GLU A 30 0.117 3.458 4.824 1.00 2.10 O ATOM 429 CB GLU A 30 -0.664 6.338 3.361 1.00 32.22 C ATOM 430 CG GLU A 30 -1.729 7.423 3.321 1.00 42.21 C ATOM 431 CD GLU A 30 -2.972 7.056 4.105 1.00 64.43 C ATOM 432 OE1 GLU A 30 -3.757 6.214 3.630 1.00 1.42 O ATOM 433 OE2 GLU A 30 -3.177 7.626 5.198 1.00 52.14 O ATOM 0 H GLU A 30 0.375 7.713 5.062 1.00 40.11 H new ATOM 0 HA GLU A 30 -1.321 5.464 5.209 1.00 71.33 H new ATOM 0 HB2 GLU A 30 0.262 6.735 2.944 1.00 32.22 H new ATOM 0 HB3 GLU A 30 -0.974 5.513 2.720 1.00 32.22 H new ATOM 0 HG2 GLU A 30 -1.313 8.348 3.720 1.00 42.21 H new ATOM 0 HG3 GLU A 30 -2.003 7.618 2.284 1.00 42.21 H new ATOM 440 N LEU A 31 1.842 4.875 4.518 1.00 73.24 N ATOM 441 CA LEU A 31 2.856 3.826 4.476 1.00 73.43 C ATOM 442 C LEU A 31 2.786 2.979 5.735 1.00 73.41 C ATOM 443 O LEU A 31 2.743 1.748 5.673 1.00 12.55 O ATOM 444 CB LEU A 31 4.247 4.453 4.359 1.00 14.11 C ATOM 445 CG LEU A 31 5.407 3.466 4.202 1.00 32.23 C ATOM 446 CD1 LEU A 31 5.279 2.692 2.899 1.00 73.33 C ATOM 447 CD2 LEU A 31 6.742 4.197 4.265 1.00 73.20 C ATOM 0 H LEU A 31 2.211 5.819 4.400 1.00 73.24 H new ATOM 0 HA LEU A 31 2.669 3.192 3.609 1.00 73.43 H new ATOM 0 HB2 LEU A 31 4.250 5.129 3.504 1.00 14.11 H new ATOM 0 HB3 LEU A 31 4.428 5.060 5.246 1.00 14.11 H new ATOM 0 HG LEU A 31 5.367 2.754 5.026 1.00 32.23 H new ATOM 0 HD11 LEU A 31 6.113 1.996 2.806 1.00 73.33 H new ATOM 0 HD12 LEU A 31 4.341 2.137 2.896 1.00 73.33 H new ATOM 0 HD13 LEU A 31 5.292 3.388 2.060 1.00 73.33 H new ATOM 0 HD21 LEU A 31 7.555 3.480 4.152 1.00 73.20 H new ATOM 0 HD22 LEU A 31 6.792 4.933 3.462 1.00 73.20 H new ATOM 0 HD23 LEU A 31 6.835 4.702 5.226 1.00 73.20 H new ATOM 459 N ALA A 32 2.761 3.662 6.870 1.00 13.40 N ATOM 460 CA ALA A 32 2.671 3.007 8.169 1.00 13.24 C ATOM 461 C ALA A 32 1.443 2.101 8.248 1.00 22.15 C ATOM 462 O ALA A 32 1.520 0.991 8.770 1.00 23.40 O ATOM 463 CB ALA A 32 2.637 4.050 9.281 1.00 14.32 C ATOM 0 H ALA A 32 2.802 4.680 6.918 1.00 13.40 H new ATOM 0 HA ALA A 32 3.555 2.382 8.297 1.00 13.24 H new ATOM 0 HB1 ALA A 32 2.570 3.550 10.247 1.00 14.32 H new ATOM 0 HB2 ALA A 32 3.547 4.650 9.245 1.00 14.32 H new ATOM 0 HB3 ALA A 32 1.770 4.697 9.146 1.00 14.32 H new ATOM 469 N LYS A 33 0.321 2.568 7.712 1.00 34.25 N ATOM 470 CA LYS A 33 -0.919 1.807 7.730 1.00 32.32 C ATOM 471 C LYS A 33 -0.804 0.536 6.900 1.00 44.15 C ATOM 472 O LYS A 33 -1.352 -0.504 7.270 1.00 30.23 O ATOM 473 CB LYS A 33 -2.065 2.668 7.204 1.00 74.03 C ATOM 474 CG LYS A 33 -2.380 3.872 8.073 1.00 4.54 C ATOM 475 CD LYS A 33 -2.889 3.456 9.442 1.00 14.33 C ATOM 476 CE LYS A 33 -3.212 4.662 10.305 1.00 20.14 C ATOM 477 NZ LYS A 33 -3.758 4.265 11.629 1.00 14.42 N ATOM 0 H LYS A 33 0.247 3.478 7.257 1.00 34.25 H new ATOM 0 HA LYS A 33 -1.122 1.519 8.761 1.00 32.32 H new ATOM 0 HB2 LYS A 33 -1.816 3.012 6.200 1.00 74.03 H new ATOM 0 HB3 LYS A 33 -2.959 2.051 7.117 1.00 74.03 H new ATOM 0 HG2 LYS A 33 -1.485 4.483 8.187 1.00 4.54 H new ATOM 0 HG3 LYS A 33 -3.128 4.492 7.579 1.00 4.54 H new ATOM 0 HD2 LYS A 33 -3.781 2.840 9.328 1.00 14.33 H new ATOM 0 HD3 LYS A 33 -2.138 2.842 9.939 1.00 14.33 H new ATOM 0 HE2 LYS A 33 -2.311 5.258 10.448 1.00 20.14 H new ATOM 0 HE3 LYS A 33 -3.934 5.295 9.789 1.00 20.14 H new ATOM 0 HZ1 LYS A 33 -3.966 5.117 12.188 1.00 14.42 H new ATOM 0 HZ2 LYS A 33 -4.632 3.718 11.494 1.00 14.42 H new ATOM 0 HZ3 LYS A 33 -3.059 3.682 12.132 1.00 14.42 H new ATOM 491 N TYR A 34 -0.099 0.619 5.782 1.00 3.34 N ATOM 492 CA TYR A 34 0.120 -0.548 4.935 1.00 31.34 C ATOM 493 C TYR A 34 1.043 -1.544 5.622 1.00 72.54 C ATOM 494 O TYR A 34 0.823 -2.750 5.550 1.00 64.22 O ATOM 495 CB TYR A 34 0.693 -0.142 3.575 1.00 60.14 C ATOM 496 CG TYR A 34 -0.322 0.500 2.658 1.00 74.44 C ATOM 497 CD1 TYR A 34 -1.373 -0.240 2.136 1.00 52.52 C ATOM 498 CD2 TYR A 34 -0.227 1.840 2.309 1.00 44.12 C ATOM 499 CE1 TYR A 34 -2.305 0.339 1.297 1.00 4.43 C ATOM 500 CE2 TYR A 34 -1.154 2.427 1.472 1.00 71.33 C ATOM 501 CZ TYR A 34 -2.191 1.672 0.968 1.00 54.12 C ATOM 502 OH TYR A 34 -3.116 2.252 0.130 1.00 63.41 O ATOM 0 H TYR A 34 0.331 1.478 5.439 1.00 3.34 H new ATOM 0 HA TYR A 34 -0.845 -1.026 4.768 1.00 31.34 H new ATOM 0 HB2 TYR A 34 1.519 0.551 3.731 1.00 60.14 H new ATOM 0 HB3 TYR A 34 1.105 -1.024 3.086 1.00 60.14 H new ATOM 0 HD1 TYR A 34 -1.464 -1.286 2.390 1.00 52.52 H new ATOM 0 HD2 TYR A 34 0.586 2.434 2.699 1.00 44.12 H new ATOM 0 HE1 TYR A 34 -3.119 -0.250 0.901 1.00 4.43 H new ATOM 0 HE2 TYR A 34 -1.067 3.472 1.213 1.00 71.33 H new ATOM 0 HH TYR A 34 -2.892 3.197 -0.000 1.00 63.41 H new ATOM 512 N ILE A 35 2.066 -1.037 6.301 1.00 73.43 N ATOM 513 CA ILE A 35 2.957 -1.891 7.080 1.00 11.42 C ATOM 514 C ILE A 35 2.175 -2.568 8.203 1.00 44.42 C ATOM 515 O ILE A 35 2.381 -3.743 8.505 1.00 3.24 O ATOM 516 CB ILE A 35 4.141 -1.093 7.674 1.00 2.04 C ATOM 517 CG1 ILE A 35 4.928 -0.399 6.557 1.00 40.33 C ATOM 518 CG2 ILE A 35 5.054 -2.016 8.471 1.00 63.33 C ATOM 519 CD1 ILE A 35 6.056 0.479 7.060 1.00 73.10 C ATOM 0 H ILE A 35 2.299 -0.044 6.328 1.00 73.43 H new ATOM 0 HA ILE A 35 3.366 -2.645 6.408 1.00 11.42 H new ATOM 0 HB ILE A 35 3.746 -0.331 8.346 1.00 2.04 H new ATOM 0 HG12 ILE A 35 5.339 -1.157 5.890 1.00 40.33 H new ATOM 0 HG13 ILE A 35 4.243 0.208 5.966 1.00 40.33 H new ATOM 0 HG21 ILE A 35 5.883 -1.441 8.883 1.00 63.33 H new ATOM 0 HG22 ILE A 35 4.490 -2.473 9.284 1.00 63.33 H new ATOM 0 HG23 ILE A 35 5.444 -2.796 7.817 1.00 63.33 H new ATOM 0 HD11 ILE A 35 6.567 0.936 6.213 1.00 73.10 H new ATOM 0 HD12 ILE A 35 5.650 1.260 7.703 1.00 73.10 H new ATOM 0 HD13 ILE A 35 6.764 -0.127 7.626 1.00 73.10 H new ATOM 531 N GLU A 36 1.259 -1.814 8.800 1.00 4.32 N ATOM 532 CA GLU A 36 0.363 -2.331 9.812 1.00 52.12 C ATOM 533 C GLU A 36 -0.463 -3.490 9.263 1.00 73.31 C ATOM 534 O GLU A 36 -0.596 -4.533 9.905 1.00 41.04 O ATOM 535 CB GLU A 36 -0.550 -1.204 10.293 1.00 22.41 C ATOM 536 CG GLU A 36 0.119 -0.224 11.239 1.00 51.11 C ATOM 537 CD GLU A 36 0.534 -0.866 12.545 1.00 51.42 C ATOM 538 OE1 GLU A 36 -0.344 -1.073 13.408 1.00 32.30 O ATOM 539 OE2 GLU A 36 1.739 -1.151 12.719 1.00 24.03 O ATOM 0 H GLU A 36 1.121 -0.825 8.591 1.00 4.32 H new ATOM 0 HA GLU A 36 0.948 -2.708 10.650 1.00 52.12 H new ATOM 0 HB2 GLU A 36 -0.923 -0.658 9.426 1.00 22.41 H new ATOM 0 HB3 GLU A 36 -1.416 -1.640 10.792 1.00 22.41 H new ATOM 0 HG2 GLU A 36 0.997 0.203 10.753 1.00 51.11 H new ATOM 0 HG3 GLU A 36 -0.564 0.600 11.445 1.00 51.11 H new ATOM 546 N LEU A 37 -0.997 -3.305 8.061 1.00 75.32 N ATOM 547 CA LEU A 37 -1.790 -4.337 7.406 1.00 4.44 C ATOM 548 C LEU A 37 -0.924 -5.537 7.045 1.00 31.13 C ATOM 549 O LEU A 37 -1.387 -6.677 7.069 1.00 43.34 O ATOM 550 CB LEU A 37 -2.452 -3.782 6.143 1.00 61.04 C ATOM 551 CG LEU A 37 -3.525 -2.720 6.380 1.00 11.12 C ATOM 552 CD1 LEU A 37 -4.020 -2.170 5.054 1.00 62.40 C ATOM 553 CD2 LEU A 37 -4.680 -3.301 7.182 1.00 53.15 C ATOM 0 H LEU A 37 -0.894 -2.447 7.519 1.00 75.32 H new ATOM 0 HA LEU A 37 -2.564 -4.659 8.103 1.00 4.44 H new ATOM 0 HB2 LEU A 37 -1.678 -3.356 5.504 1.00 61.04 H new ATOM 0 HB3 LEU A 37 -2.899 -4.610 5.593 1.00 61.04 H new ATOM 0 HG LEU A 37 -3.087 -1.903 6.953 1.00 11.12 H new ATOM 0 HD11 LEU A 37 -4.784 -1.414 5.236 1.00 62.40 H new ATOM 0 HD12 LEU A 37 -3.187 -1.721 4.513 1.00 62.40 H new ATOM 0 HD13 LEU A 37 -4.444 -2.979 4.460 1.00 62.40 H new ATOM 0 HD21 LEU A 37 -5.435 -2.532 7.342 1.00 53.15 H new ATOM 0 HD22 LEU A 37 -5.121 -4.134 6.634 1.00 53.15 H new ATOM 0 HD23 LEU A 37 -4.313 -3.654 8.145 1.00 53.15 H new ATOM 565 N ALA A 38 0.339 -5.272 6.735 1.00 2.14 N ATOM 566 CA ALA A 38 1.254 -6.320 6.313 1.00 60.15 C ATOM 567 C ALA A 38 1.580 -7.250 7.472 1.00 24.24 C ATOM 568 O ALA A 38 1.468 -8.468 7.347 1.00 40.35 O ATOM 569 CB ALA A 38 2.523 -5.714 5.733 1.00 62.31 C ATOM 0 H ALA A 38 0.751 -4.340 6.769 1.00 2.14 H new ATOM 0 HA ALA A 38 0.768 -6.909 5.535 1.00 60.15 H new ATOM 0 HB1 ALA A 38 3.198 -6.511 5.422 1.00 62.31 H new ATOM 0 HB2 ALA A 38 2.270 -5.096 4.872 1.00 62.31 H new ATOM 0 HB3 ALA A 38 3.012 -5.100 6.489 1.00 62.31 H new ATOM 575 N LYS A 39 1.944 -6.665 8.609 1.00 34.15 N ATOM 576 CA LYS A 39 2.292 -7.435 9.796 1.00 11.32 C ATOM 577 C LYS A 39 1.090 -8.215 10.313 1.00 1.21 C ATOM 578 O LYS A 39 1.237 -9.282 10.908 1.00 60.24 O ATOM 579 CB LYS A 39 2.810 -6.508 10.893 1.00 43.40 C ATOM 580 CG LYS A 39 4.071 -5.747 10.520 1.00 13.35 C ATOM 581 CD LYS A 39 4.499 -4.811 11.640 1.00 73.13 C ATOM 582 CE LYS A 39 3.447 -3.743 11.908 1.00 51.03 C ATOM 583 NZ LYS A 39 3.760 -2.929 13.115 1.00 13.14 N ATOM 0 H LYS A 39 2.005 -5.654 8.732 1.00 34.15 H new ATOM 0 HA LYS A 39 3.074 -8.143 9.520 1.00 11.32 H new ATOM 0 HB2 LYS A 39 2.029 -5.792 11.147 1.00 43.40 H new ATOM 0 HB3 LYS A 39 3.006 -7.097 11.789 1.00 43.40 H new ATOM 0 HG2 LYS A 39 4.874 -6.452 10.304 1.00 13.35 H new ATOM 0 HG3 LYS A 39 3.897 -5.174 9.609 1.00 13.35 H new ATOM 0 HD2 LYS A 39 4.675 -5.386 12.549 1.00 73.13 H new ATOM 0 HD3 LYS A 39 5.443 -4.335 11.377 1.00 73.13 H new ATOM 0 HE2 LYS A 39 3.370 -3.087 11.041 1.00 51.03 H new ATOM 0 HE3 LYS A 39 2.475 -4.219 12.036 1.00 51.03 H new ATOM 0 HZ1 LYS A 39 3.173 -2.070 13.116 1.00 13.14 H new ATOM 0 HZ2 LYS A 39 3.561 -3.486 13.970 1.00 13.14 H new ATOM 0 HZ3 LYS A 39 4.765 -2.661 13.102 1.00 13.14 H new ATOM 597 N SER A 40 -0.099 -7.676 10.074 1.00 24.03 N ATOM 598 CA SER A 40 -1.334 -8.309 10.512 1.00 40.43 C ATOM 599 C SER A 40 -1.559 -9.608 9.743 1.00 2.43 C ATOM 600 O SER A 40 -2.190 -10.541 10.241 1.00 35.14 O ATOM 601 CB SER A 40 -2.514 -7.351 10.302 1.00 32.55 C ATOM 602 OG SER A 40 -3.697 -7.833 10.922 1.00 55.13 O ATOM 0 H SER A 40 -0.233 -6.796 9.576 1.00 24.03 H new ATOM 0 HA SER A 40 -1.258 -8.544 11.574 1.00 40.43 H new ATOM 0 HB2 SER A 40 -2.264 -6.371 10.708 1.00 32.55 H new ATOM 0 HB3 SER A 40 -2.690 -7.219 9.234 1.00 32.55 H new ATOM 0 HG SER A 40 -4.428 -7.198 10.770 1.00 55.13 H new ATOM 608 N VAL A 41 -1.017 -9.668 8.534 1.00 52.04 N ATOM 609 CA VAL A 41 -1.183 -10.836 7.687 1.00 42.35 C ATOM 610 C VAL A 41 0.036 -11.750 7.763 1.00 51.13 C ATOM 611 O VAL A 41 -0.097 -12.950 8.002 1.00 2.20 O ATOM 612 CB VAL A 41 -1.431 -10.440 6.216 1.00 24.43 C ATOM 613 CG1 VAL A 41 -1.614 -11.677 5.348 1.00 30.34 C ATOM 614 CG2 VAL A 41 -2.642 -9.523 6.100 1.00 14.22 C ATOM 0 H VAL A 41 -0.459 -8.921 8.120 1.00 52.04 H new ATOM 0 HA VAL A 41 -2.057 -11.372 8.058 1.00 42.35 H new ATOM 0 HB VAL A 41 -0.555 -9.898 5.860 1.00 24.43 H new ATOM 0 HG11 VAL A 41 -1.788 -11.374 4.315 1.00 30.34 H new ATOM 0 HG12 VAL A 41 -0.717 -12.294 5.400 1.00 30.34 H new ATOM 0 HG13 VAL A 41 -2.469 -12.250 5.707 1.00 30.34 H new ATOM 0 HG21 VAL A 41 -2.798 -9.257 5.055 1.00 14.22 H new ATOM 0 HG22 VAL A 41 -3.525 -10.037 6.479 1.00 14.22 H new ATOM 0 HG23 VAL A 41 -2.470 -8.618 6.683 1.00 14.22 H new ATOM 624 N CYS A 42 1.223 -11.181 7.597 1.00 75.33 N ATOM 625 CA CYS A 42 2.430 -11.973 7.474 1.00 45.25 C ATOM 626 C CYS A 42 3.576 -11.329 8.246 1.00 63.41 C ATOM 627 O CYS A 42 3.813 -10.127 8.144 1.00 0.30 O ATOM 628 CB CYS A 42 2.800 -12.118 5.995 1.00 32.32 C ATOM 629 SG CYS A 42 4.074 -13.354 5.656 1.00 52.22 S ATOM 0 H CYS A 42 1.371 -10.173 7.545 1.00 75.33 H new ATOM 0 HA CYS A 42 2.249 -12.961 7.897 1.00 45.25 H new ATOM 0 HB2 CYS A 42 1.903 -12.377 5.433 1.00 32.32 H new ATOM 0 HB3 CYS A 42 3.141 -11.152 5.623 1.00 32.32 H new ATOM 0 HG CYS A 42 3.525 -14.529 5.565 1.00 52.22 H new ATOM 635 N ALA A 43 4.278 -12.140 9.017 1.00 21.14 N ATOM 636 CA ALA A 43 5.415 -11.671 9.797 1.00 63.11 C ATOM 637 C ALA A 43 6.703 -11.763 8.988 1.00 31.44 C ATOM 638 O ALA A 43 7.678 -11.058 9.261 1.00 60.42 O ATOM 639 CB ALA A 43 5.543 -12.474 11.083 1.00 44.42 C ATOM 0 H ALA A 43 4.080 -13.135 9.122 1.00 21.14 H new ATOM 0 HA ALA A 43 5.244 -10.625 10.051 1.00 63.11 H new ATOM 0 HB1 ALA A 43 6.397 -12.112 11.655 1.00 44.42 H new ATOM 0 HB2 ALA A 43 4.635 -12.360 11.675 1.00 44.42 H new ATOM 0 HB3 ALA A 43 5.689 -13.527 10.842 1.00 44.42 H new ATOM 645 N GLY A 44 6.696 -12.633 7.985 1.00 42.02 N ATOM 646 CA GLY A 44 7.868 -12.818 7.150 1.00 2.45 C ATOM 647 C GLY A 44 7.829 -11.944 5.916 1.00 0.24 C ATOM 648 O GLY A 44 8.396 -12.289 4.878 1.00 70.41 O ATOM 0 H GLY A 44 5.897 -13.215 7.734 1.00 42.02 H new ATOM 0 HA2 GLY A 44 8.764 -12.590 7.727 1.00 2.45 H new ATOM 0 HA3 GLY A 44 7.939 -13.864 6.851 1.00 2.45 H new ATOM 652 N VAL A 45 7.151 -10.812 6.030 1.00 30.13 N ATOM 653 CA VAL A 45 7.018 -9.886 4.918 1.00 71.23 C ATOM 654 C VAL A 45 8.281 -9.037 4.757 1.00 31.20 C ATOM 655 O VAL A 45 8.752 -8.392 5.701 1.00 52.13 O ATOM 656 CB VAL A 45 5.774 -8.975 5.081 1.00 33.50 C ATOM 657 CG1 VAL A 45 5.808 -8.228 6.405 1.00 20.24 C ATOM 658 CG2 VAL A 45 5.664 -7.995 3.918 1.00 15.15 C ATOM 0 H VAL A 45 6.683 -10.513 6.885 1.00 30.13 H new ATOM 0 HA VAL A 45 6.883 -10.482 4.015 1.00 71.23 H new ATOM 0 HB VAL A 45 4.892 -9.615 5.078 1.00 33.50 H new ATOM 0 HG11 VAL A 45 4.923 -7.598 6.490 1.00 20.24 H new ATOM 0 HG12 VAL A 45 5.824 -8.944 7.227 1.00 20.24 H new ATOM 0 HG13 VAL A 45 6.702 -7.606 6.449 1.00 20.24 H new ATOM 0 HG21 VAL A 45 4.784 -7.366 4.054 1.00 15.15 H new ATOM 0 HG22 VAL A 45 6.556 -7.369 3.884 1.00 15.15 H new ATOM 0 HG23 VAL A 45 5.574 -8.548 2.983 1.00 15.15 H new ATOM 668 N GLU A 46 8.838 -9.071 3.558 1.00 22.34 N ATOM 669 CA GLU A 46 9.985 -8.248 3.218 1.00 34.11 C ATOM 670 C GLU A 46 9.547 -7.155 2.262 1.00 2.24 C ATOM 671 O GLU A 46 8.666 -7.379 1.430 1.00 10.05 O ATOM 672 CB GLU A 46 11.083 -9.090 2.570 1.00 41.32 C ATOM 673 CG GLU A 46 11.644 -10.170 3.474 1.00 21.21 C ATOM 674 CD GLU A 46 12.318 -9.610 4.706 1.00 1.13 C ATOM 675 OE1 GLU A 46 13.215 -8.755 4.558 1.00 34.22 O ATOM 676 OE2 GLU A 46 11.954 -10.014 5.830 1.00 24.44 O ATOM 0 H GLU A 46 8.510 -9.666 2.797 1.00 22.34 H new ATOM 0 HA GLU A 46 10.385 -7.806 4.130 1.00 34.11 H new ATOM 0 HB2 GLU A 46 10.686 -9.555 1.668 1.00 41.32 H new ATOM 0 HB3 GLU A 46 11.895 -8.433 2.258 1.00 41.32 H new ATOM 0 HG2 GLU A 46 10.838 -10.838 3.778 1.00 21.21 H new ATOM 0 HG3 GLU A 46 12.361 -10.770 2.914 1.00 21.21 H new ATOM 683 N TYR A 47 10.138 -5.978 2.372 1.00 23.42 N ATOM 684 CA TYR A 47 9.725 -4.874 1.525 1.00 73.21 C ATOM 685 C TYR A 47 10.882 -3.979 1.119 1.00 73.45 C ATOM 686 O TYR A 47 11.894 -3.869 1.817 1.00 23.40 O ATOM 687 CB TYR A 47 8.635 -4.040 2.201 1.00 11.13 C ATOM 688 CG TYR A 47 9.025 -3.449 3.538 1.00 70.41 C ATOM 689 CD1 TYR A 47 9.679 -2.226 3.614 1.00 12.44 C ATOM 690 CD2 TYR A 47 8.735 -4.111 4.724 1.00 33.22 C ATOM 691 CE1 TYR A 47 10.034 -1.682 4.830 1.00 71.04 C ATOM 692 CE2 TYR A 47 9.086 -3.571 5.946 1.00 35.30 C ATOM 693 CZ TYR A 47 9.738 -2.358 5.994 1.00 62.02 C ATOM 694 OH TYR A 47 10.089 -1.819 7.210 1.00 2.20 O ATOM 0 H TYR A 47 10.891 -5.764 3.026 1.00 23.42 H new ATOM 0 HA TYR A 47 9.324 -5.323 0.616 1.00 73.21 H new ATOM 0 HB2 TYR A 47 8.350 -3.229 1.531 1.00 11.13 H new ATOM 0 HB3 TYR A 47 7.753 -4.665 2.339 1.00 11.13 H new ATOM 0 HD1 TYR A 47 9.913 -1.692 2.705 1.00 12.44 H new ATOM 0 HD2 TYR A 47 8.227 -5.063 4.690 1.00 33.22 H new ATOM 0 HE1 TYR A 47 10.542 -0.730 4.870 1.00 71.04 H new ATOM 0 HE2 TYR A 47 8.851 -4.097 6.859 1.00 35.30 H new ATOM 0 HH TYR A 47 9.806 -2.422 7.929 1.00 2.20 H new ATOM 704 N ASN A 48 10.713 -3.363 -0.035 1.00 3.02 N ATOM 705 CA ASN A 48 11.575 -2.285 -0.486 1.00 45.14 C ATOM 706 C ASN A 48 10.709 -1.052 -0.664 1.00 63.25 C ATOM 707 O ASN A 48 9.485 -1.162 -0.673 1.00 14.34 O ATOM 708 CB ASN A 48 12.262 -2.615 -1.817 1.00 23.00 C ATOM 709 CG ASN A 48 13.062 -3.908 -1.801 1.00 41.44 C ATOM 710 OD1 ASN A 48 13.188 -4.579 -2.826 1.00 44.22 O ATOM 711 ND2 ASN A 48 13.618 -4.262 -0.651 1.00 32.12 N ATOM 0 H ASN A 48 9.968 -3.597 -0.692 1.00 3.02 H new ATOM 0 HA ASN A 48 12.360 -2.126 0.253 1.00 45.14 H new ATOM 0 HB2 ASN A 48 11.504 -2.679 -2.598 1.00 23.00 H new ATOM 0 HB3 ASN A 48 12.926 -1.793 -2.084 1.00 23.00 H new ATOM 0 HD21 ASN A 48 14.173 -5.116 -0.594 1.00 32.12 H new ATOM 0 HD22 ASN A 48 13.491 -3.680 0.177 1.00 32.12 H new ATOM 718 N VAL A 49 11.318 0.106 -0.820 1.00 64.15 N ATOM 719 CA VAL A 49 10.549 1.340 -0.921 1.00 63.45 C ATOM 720 C VAL A 49 11.391 2.466 -1.513 1.00 40.21 C ATOM 721 O VAL A 49 12.616 2.486 -1.363 1.00 5.14 O ATOM 722 CB VAL A 49 9.987 1.762 0.464 1.00 74.54 C ATOM 723 CG1 VAL A 49 11.106 2.163 1.415 1.00 73.23 C ATOM 724 CG2 VAL A 49 8.965 2.883 0.325 1.00 63.35 C ATOM 0 H VAL A 49 12.329 0.224 -0.880 1.00 64.15 H new ATOM 0 HA VAL A 49 9.710 1.149 -1.591 1.00 63.45 H new ATOM 0 HB VAL A 49 9.480 0.896 0.890 1.00 74.54 H new ATOM 0 HG11 VAL A 49 10.681 2.453 2.376 1.00 73.23 H new ATOM 0 HG12 VAL A 49 11.782 1.320 1.557 1.00 73.23 H new ATOM 0 HG13 VAL A 49 11.658 3.003 0.994 1.00 73.23 H new ATOM 0 HG21 VAL A 49 8.589 3.157 1.311 1.00 63.35 H new ATOM 0 HG22 VAL A 49 9.437 3.750 -0.138 1.00 63.35 H new ATOM 0 HG23 VAL A 49 8.137 2.545 -0.298 1.00 63.35 H new ATOM 734 N SER A 50 10.732 3.370 -2.221 1.00 4.45 N ATOM 735 CA SER A 50 11.380 4.549 -2.767 1.00 54.31 C ATOM 736 C SER A 50 11.582 5.594 -1.670 1.00 1.30 C ATOM 737 O SER A 50 11.056 5.454 -0.565 1.00 41.23 O ATOM 738 CB SER A 50 10.516 5.137 -3.885 1.00 23.03 C ATOM 739 OG SER A 50 9.909 4.111 -4.654 1.00 1.43 O ATOM 0 H SER A 50 9.736 3.306 -2.432 1.00 4.45 H new ATOM 0 HA SER A 50 12.353 4.266 -3.169 1.00 54.31 H new ATOM 0 HB2 SER A 50 9.746 5.778 -3.455 1.00 23.03 H new ATOM 0 HB3 SER A 50 11.129 5.765 -4.531 1.00 23.03 H new ATOM 0 HG SER A 50 9.494 4.502 -5.451 1.00 1.43 H new ATOM 745 N GLU A 51 12.342 6.636 -1.973 1.00 11.53 N ATOM 746 CA GLU A 51 12.509 7.744 -1.049 1.00 12.13 C ATOM 747 C GLU A 51 11.312 8.681 -1.162 1.00 3.34 C ATOM 748 O GLU A 51 10.858 8.992 -2.265 1.00 31.15 O ATOM 749 CB GLU A 51 13.825 8.503 -1.306 1.00 72.04 C ATOM 750 CG GLU A 51 14.003 9.029 -2.728 1.00 65.22 C ATOM 751 CD GLU A 51 14.428 7.956 -3.714 1.00 65.11 C ATOM 752 OE1 GLU A 51 13.547 7.278 -4.280 1.00 32.22 O ATOM 753 OE2 GLU A 51 15.643 7.787 -3.926 1.00 21.53 O ATOM 0 H GLU A 51 12.852 6.736 -2.851 1.00 11.53 H new ATOM 0 HA GLU A 51 12.562 7.346 -0.036 1.00 12.13 H new ATOM 0 HB2 GLU A 51 13.882 9.344 -0.615 1.00 72.04 H new ATOM 0 HB3 GLU A 51 14.659 7.841 -1.073 1.00 72.04 H new ATOM 0 HG2 GLU A 51 13.066 9.472 -3.065 1.00 65.22 H new ATOM 0 HG3 GLU A 51 14.748 9.825 -2.723 1.00 65.22 H new ATOM 760 N LEU A 52 10.788 9.114 -0.029 1.00 21.53 N ATOM 761 CA LEU A 52 9.592 9.926 -0.015 1.00 2.14 C ATOM 762 C LEU A 52 9.912 11.374 0.339 1.00 53.12 C ATOM 763 O LEU A 52 10.363 11.677 1.444 1.00 60.33 O ATOM 764 CB LEU A 52 8.552 9.353 0.961 1.00 33.13 C ATOM 765 CG LEU A 52 9.032 9.084 2.393 1.00 32.13 C ATOM 766 CD1 LEU A 52 7.868 9.206 3.363 1.00 10.42 C ATOM 767 CD2 LEU A 52 9.653 7.697 2.506 1.00 53.44 C ATOM 0 H LEU A 52 11.175 8.914 0.893 1.00 21.53 H new ATOM 0 HA LEU A 52 9.170 9.908 -1.020 1.00 2.14 H new ATOM 0 HB2 LEU A 52 7.711 10.044 1.008 1.00 33.13 H new ATOM 0 HB3 LEU A 52 8.174 8.418 0.547 1.00 33.13 H new ATOM 0 HG LEU A 52 9.791 9.825 2.643 1.00 32.13 H new ATOM 0 HD11 LEU A 52 8.218 9.013 4.377 1.00 10.42 H new ATOM 0 HD12 LEU A 52 7.452 10.212 3.307 1.00 10.42 H new ATOM 0 HD13 LEU A 52 7.098 8.480 3.101 1.00 10.42 H new ATOM 0 HD21 LEU A 52 9.986 7.530 3.530 1.00 53.44 H new ATOM 0 HD22 LEU A 52 8.912 6.944 2.237 1.00 53.44 H new ATOM 0 HD23 LEU A 52 10.506 7.624 1.831 1.00 53.44 H new ATOM 779 N THR A 53 9.694 12.260 -0.618 1.00 31.13 N ATOM 780 CA THR A 53 9.838 13.685 -0.388 1.00 71.51 C ATOM 781 C THR A 53 8.524 14.385 -0.710 1.00 63.20 C ATOM 782 O THR A 53 7.576 13.743 -1.158 1.00 23.21 O ATOM 783 CB THR A 53 10.981 14.294 -1.235 1.00 3.55 C ATOM 784 OG1 THR A 53 10.756 14.051 -2.632 1.00 25.24 O ATOM 785 CG2 THR A 53 12.325 13.710 -0.825 1.00 64.42 C ATOM 0 H THR A 53 9.415 12.014 -1.568 1.00 31.13 H new ATOM 0 HA THR A 53 10.093 13.833 0.661 1.00 71.51 H new ATOM 0 HB THR A 53 10.995 15.369 -1.057 1.00 3.55 H new ATOM 0 HG1 THR A 53 11.487 14.443 -3.154 1.00 25.24 H new ATOM 0 HG21 THR A 53 13.114 14.152 -1.433 1.00 64.42 H new ATOM 0 HG22 THR A 53 12.511 13.929 0.226 1.00 64.42 H new ATOM 0 HG23 THR A 53 12.313 12.630 -0.974 1.00 64.42 H new ATOM 793 N GLU A 54 8.461 15.686 -0.492 1.00 22.23 N ATOM 794 CA GLU A 54 7.244 16.432 -0.745 1.00 15.00 C ATOM 795 C GLU A 54 7.035 16.676 -2.237 1.00 63.03 C ATOM 796 O GLU A 54 5.924 16.968 -2.678 1.00 11.13 O ATOM 797 CB GLU A 54 7.279 17.742 0.025 1.00 74.42 C ATOM 798 CG GLU A 54 7.097 17.547 1.521 1.00 31.54 C ATOM 799 CD GLU A 54 7.118 18.842 2.295 1.00 14.13 C ATOM 800 OE1 GLU A 54 6.106 19.568 2.273 1.00 30.55 O ATOM 801 OE2 GLU A 54 8.141 19.131 2.945 1.00 2.45 O ATOM 0 H GLU A 54 9.238 16.246 -0.141 1.00 22.23 H new ATOM 0 HA GLU A 54 6.397 15.840 -0.399 1.00 15.00 H new ATOM 0 HB2 GLU A 54 8.230 18.242 -0.159 1.00 74.42 H new ATOM 0 HB3 GLU A 54 6.495 18.400 -0.350 1.00 74.42 H new ATOM 0 HG2 GLU A 54 6.150 17.038 1.702 1.00 31.54 H new ATOM 0 HG3 GLU A 54 7.886 16.895 1.895 1.00 31.54 H new ATOM 808 N GLU A 55 8.105 16.558 -3.012 1.00 21.13 N ATOM 809 CA GLU A 55 7.994 16.626 -4.465 1.00 25.41 C ATOM 810 C GLU A 55 7.672 15.250 -5.035 1.00 0.10 C ATOM 811 O GLU A 55 7.312 15.116 -6.207 1.00 1.22 O ATOM 812 CB GLU A 55 9.275 17.175 -5.087 1.00 32.14 C ATOM 813 CG GLU A 55 9.485 18.655 -4.823 1.00 23.12 C ATOM 814 CD GLU A 55 10.751 19.182 -5.457 1.00 62.12 C ATOM 815 OE1 GLU A 55 10.746 19.446 -6.675 1.00 53.32 O ATOM 816 OE2 GLU A 55 11.761 19.334 -4.740 1.00 4.15 O ATOM 0 H GLU A 55 9.053 16.416 -2.664 1.00 21.13 H new ATOM 0 HA GLU A 55 7.180 17.308 -4.713 1.00 25.41 H new ATOM 0 HB2 GLU A 55 10.127 16.619 -4.697 1.00 32.14 H new ATOM 0 HB3 GLU A 55 9.250 17.005 -6.163 1.00 32.14 H new ATOM 0 HG2 GLU A 55 8.631 19.214 -5.206 1.00 23.12 H new ATOM 0 HG3 GLU A 55 9.522 18.827 -3.747 1.00 23.12 H new ATOM 823 N SER A 56 7.812 14.228 -4.200 1.00 41.22 N ATOM 824 CA SER A 56 7.415 12.885 -4.562 1.00 61.34 C ATOM 825 C SER A 56 5.948 12.683 -4.212 1.00 53.20 C ATOM 826 O SER A 56 5.602 12.471 -3.050 1.00 72.24 O ATOM 827 CB SER A 56 8.272 11.854 -3.822 1.00 65.14 C ATOM 828 OG SER A 56 9.656 12.065 -4.051 1.00 72.14 O ATOM 0 H SER A 56 8.202 14.312 -3.261 1.00 41.22 H new ATOM 0 HA SER A 56 7.560 12.749 -5.634 1.00 61.34 H new ATOM 0 HB2 SER A 56 8.067 11.909 -2.753 1.00 65.14 H new ATOM 0 HB3 SER A 56 7.997 10.851 -4.148 1.00 65.14 H new ATOM 0 HG SER A 56 9.918 12.938 -3.690 1.00 72.14 H new ATOM 834 N LYS A 57 5.085 12.764 -5.211 1.00 34.50 N ATOM 835 CA LYS A 57 3.658 12.604 -4.984 1.00 60.24 C ATOM 836 C LYS A 57 3.319 11.134 -4.795 1.00 13.03 C ATOM 837 O LYS A 57 2.199 10.785 -4.423 1.00 62.32 O ATOM 838 CB LYS A 57 2.854 13.171 -6.155 1.00 34.55 C ATOM 839 CG LYS A 57 3.166 14.627 -6.474 1.00 71.53 C ATOM 840 CD LYS A 57 2.917 15.536 -5.280 1.00 61.02 C ATOM 841 CE LYS A 57 1.476 15.473 -4.800 1.00 1.33 C ATOM 842 NZ LYS A 57 0.510 15.826 -5.873 1.00 22.14 N ATOM 0 H LYS A 57 5.345 12.939 -6.182 1.00 34.50 H new ATOM 0 HA LYS A 57 3.394 13.154 -4.081 1.00 60.24 H new ATOM 0 HB2 LYS A 57 3.047 12.566 -7.041 1.00 34.55 H new ATOM 0 HB3 LYS A 57 1.791 13.079 -5.931 1.00 34.55 H new ATOM 0 HG2 LYS A 57 4.207 14.715 -6.786 1.00 71.53 H new ATOM 0 HG3 LYS A 57 2.552 14.954 -7.313 1.00 71.53 H new ATOM 0 HD2 LYS A 57 3.582 15.252 -4.465 1.00 61.02 H new ATOM 0 HD3 LYS A 57 3.164 16.563 -5.550 1.00 61.02 H new ATOM 0 HE2 LYS A 57 1.260 14.469 -4.435 1.00 1.33 H new ATOM 0 HE3 LYS A 57 1.345 16.153 -3.958 1.00 1.33 H new ATOM 0 HZ1 LYS A 57 -0.433 15.968 -5.458 1.00 22.14 H new ATOM 0 HZ2 LYS A 57 0.817 16.702 -6.343 1.00 22.14 H new ATOM 0 HZ3 LYS A 57 0.469 15.055 -6.570 1.00 22.14 H new ATOM 856 N GLU A 58 4.298 10.281 -5.054 1.00 25.44 N ATOM 857 CA GLU A 58 4.108 8.846 -4.977 1.00 21.55 C ATOM 858 C GLU A 58 5.382 8.154 -4.503 1.00 71.02 C ATOM 859 O GLU A 58 6.492 8.604 -4.797 1.00 41.13 O ATOM 860 CB GLU A 58 3.721 8.295 -6.350 1.00 55.13 C ATOM 861 CG GLU A 58 4.761 8.586 -7.417 1.00 23.34 C ATOM 862 CD GLU A 58 4.519 7.827 -8.697 1.00 20.31 C ATOM 863 OE1 GLU A 58 4.906 6.644 -8.772 1.00 14.31 O ATOM 864 OE2 GLU A 58 3.957 8.413 -9.645 1.00 62.44 O ATOM 0 H GLU A 58 5.240 10.565 -5.322 1.00 25.44 H new ATOM 0 HA GLU A 58 3.310 8.649 -4.261 1.00 21.55 H new ATOM 0 HB2 GLU A 58 3.576 7.217 -6.276 1.00 55.13 H new ATOM 0 HB3 GLU A 58 2.766 8.725 -6.653 1.00 55.13 H new ATOM 0 HG2 GLU A 58 4.766 9.655 -7.630 1.00 23.34 H new ATOM 0 HG3 GLU A 58 5.749 8.333 -7.032 1.00 23.34 H new ATOM 871 N LEU A 59 5.214 7.069 -3.765 1.00 14.24 N ATOM 872 CA LEU A 59 6.329 6.198 -3.424 1.00 2.33 C ATOM 873 C LEU A 59 5.927 4.754 -3.664 1.00 53.44 C ATOM 874 O LEU A 59 4.787 4.362 -3.397 1.00 41.13 O ATOM 875 CB LEU A 59 6.808 6.388 -1.975 1.00 74.45 C ATOM 876 CG LEU A 59 5.876 5.875 -0.865 1.00 40.44 C ATOM 877 CD1 LEU A 59 6.620 5.811 0.459 1.00 60.12 C ATOM 878 CD2 LEU A 59 4.649 6.759 -0.724 1.00 31.33 C ATOM 0 H LEU A 59 4.314 6.769 -3.389 1.00 14.24 H new ATOM 0 HA LEU A 59 7.169 6.466 -4.066 1.00 2.33 H new ATOM 0 HB2 LEU A 59 7.771 5.890 -1.867 1.00 74.45 H new ATOM 0 HB3 LEU A 59 6.979 7.452 -1.810 1.00 74.45 H new ATOM 0 HG LEU A 59 5.546 4.874 -1.142 1.00 40.44 H new ATOM 0 HD11 LEU A 59 5.949 5.446 1.236 1.00 60.12 H new ATOM 0 HD12 LEU A 59 7.470 5.135 0.367 1.00 60.12 H new ATOM 0 HD13 LEU A 59 6.976 6.806 0.725 1.00 60.12 H new ATOM 0 HD21 LEU A 59 4.010 6.370 0.069 1.00 31.33 H new ATOM 0 HD22 LEU A 59 4.959 7.774 -0.475 1.00 31.33 H new ATOM 0 HD23 LEU A 59 4.097 6.768 -1.664 1.00 31.33 H new ATOM 890 N THR A 60 6.852 3.974 -4.185 1.00 45.01 N ATOM 891 CA THR A 60 6.579 2.590 -4.512 1.00 4.12 C ATOM 892 C THR A 60 7.188 1.660 -3.471 1.00 1.40 C ATOM 893 O THR A 60 8.410 1.573 -3.335 1.00 41.20 O ATOM 894 CB THR A 60 7.127 2.231 -5.907 1.00 52.00 C ATOM 895 OG1 THR A 60 6.654 3.178 -6.878 1.00 61.10 O ATOM 896 CG2 THR A 60 6.694 0.829 -6.314 1.00 71.54 C ATOM 0 H THR A 60 7.804 4.277 -4.392 1.00 45.01 H new ATOM 0 HA THR A 60 5.497 2.461 -4.517 1.00 4.12 H new ATOM 0 HB THR A 60 8.216 2.263 -5.864 1.00 52.00 H new ATOM 0 HG1 THR A 60 7.008 2.945 -7.762 1.00 61.10 H new ATOM 0 HG21 THR A 60 7.092 0.598 -7.302 1.00 71.54 H new ATOM 0 HG22 THR A 60 7.074 0.107 -5.591 1.00 71.54 H new ATOM 0 HG23 THR A 60 5.606 0.778 -6.341 1.00 71.54 H new ATOM 904 N ALA A 61 6.336 0.985 -2.721 1.00 34.51 N ATOM 905 CA ALA A 61 6.799 0.024 -1.740 1.00 63.10 C ATOM 906 C ALA A 61 6.555 -1.390 -2.244 1.00 51.24 C ATOM 907 O ALA A 61 5.414 -1.826 -2.362 1.00 73.34 O ATOM 908 CB ALA A 61 6.110 0.252 -0.404 1.00 72.30 C ATOM 0 H ALA A 61 5.322 1.085 -2.773 1.00 34.51 H new ATOM 0 HA ALA A 61 7.870 0.158 -1.591 1.00 63.10 H new ATOM 0 HB1 ALA A 61 6.470 -0.479 0.320 1.00 72.30 H new ATOM 0 HB2 ALA A 61 6.333 1.257 -0.047 1.00 72.30 H new ATOM 0 HB3 ALA A 61 5.033 0.141 -0.527 1.00 72.30 H new ATOM 914 N ARG A 62 7.634 -2.096 -2.542 1.00 24.20 N ATOM 915 CA ARG A 62 7.548 -3.448 -3.077 1.00 43.52 C ATOM 916 C ARG A 62 7.552 -4.458 -1.936 1.00 24.34 C ATOM 917 O ARG A 62 8.552 -4.602 -1.234 1.00 34.44 O ATOM 918 CB ARG A 62 8.725 -3.686 -4.039 1.00 24.24 C ATOM 919 CG ARG A 62 8.944 -5.138 -4.456 1.00 43.45 C ATOM 920 CD ARG A 62 7.763 -5.724 -5.217 1.00 43.10 C ATOM 921 NE ARG A 62 7.464 -5.017 -6.468 1.00 42.44 N ATOM 922 CZ ARG A 62 8.080 -5.241 -7.635 1.00 75.32 C ATOM 923 NH1 ARG A 62 9.148 -6.022 -7.709 1.00 33.50 N ATOM 924 NH2 ARG A 62 7.634 -4.655 -8.734 1.00 72.02 N ATOM 0 H ARG A 62 8.587 -1.753 -2.422 1.00 24.20 H new ATOM 0 HA ARG A 62 6.617 -3.573 -3.630 1.00 43.52 H new ATOM 0 HB2 ARG A 62 8.566 -3.088 -4.936 1.00 24.24 H new ATOM 0 HB3 ARG A 62 9.637 -3.319 -3.569 1.00 24.24 H new ATOM 0 HG2 ARG A 62 9.837 -5.201 -5.078 1.00 43.45 H new ATOM 0 HG3 ARG A 62 9.132 -5.741 -3.567 1.00 43.45 H new ATOM 0 HD2 ARG A 62 7.968 -6.771 -5.441 1.00 43.10 H new ATOM 0 HD3 ARG A 62 6.881 -5.702 -4.577 1.00 43.10 H new ATOM 0 HE ARG A 62 6.735 -4.304 -6.447 1.00 42.44 H new ATOM 0 HH11 ARG A 62 9.515 -6.465 -6.867 1.00 33.50 H new ATOM 0 HH12 ARG A 62 9.603 -6.180 -8.608 1.00 33.50 H new ATOM 0 HH21 ARG A 62 6.825 -4.036 -8.689 1.00 72.02 H new ATOM 0 HH22 ARG A 62 8.100 -4.822 -9.626 1.00 72.02 H new ATOM 938 N PHE A 63 6.437 -5.157 -1.766 1.00 3.54 N ATOM 939 CA PHE A 63 6.293 -6.130 -0.690 1.00 22.32 C ATOM 940 C PHE A 63 6.341 -7.548 -1.235 1.00 53.13 C ATOM 941 O PHE A 63 5.794 -7.833 -2.302 1.00 1.12 O ATOM 942 CB PHE A 63 4.960 -5.944 0.050 1.00 2.24 C ATOM 943 CG PHE A 63 4.794 -4.622 0.743 1.00 35.31 C ATOM 944 CD1 PHE A 63 5.252 -4.445 2.039 1.00 22.14 C ATOM 945 CD2 PHE A 63 4.165 -3.563 0.107 1.00 43.43 C ATOM 946 CE1 PHE A 63 5.089 -3.236 2.687 1.00 52.41 C ATOM 947 CE2 PHE A 63 3.995 -2.352 0.750 1.00 51.51 C ATOM 948 CZ PHE A 63 4.460 -2.188 2.041 1.00 51.42 C ATOM 0 H PHE A 63 5.615 -5.068 -2.363 1.00 3.54 H new ATOM 0 HA PHE A 63 7.121 -5.968 0.000 1.00 22.32 H new ATOM 0 HB2 PHE A 63 4.146 -6.067 -0.664 1.00 2.24 H new ATOM 0 HB3 PHE A 63 4.859 -6.739 0.789 1.00 2.24 H new ATOM 0 HD1 PHE A 63 5.742 -5.262 2.548 1.00 22.14 H new ATOM 0 HD2 PHE A 63 3.804 -3.686 -0.903 1.00 43.43 H new ATOM 0 HE1 PHE A 63 5.452 -3.110 3.696 1.00 52.41 H new ATOM 0 HE2 PHE A 63 3.500 -1.536 0.245 1.00 51.51 H new ATOM 0 HZ PHE A 63 4.332 -1.241 2.545 1.00 51.42 H new ATOM 958 N LYS A 64 7.000 -8.430 -0.507 1.00 13.03 N ATOM 959 CA LYS A 64 6.915 -9.849 -0.786 1.00 54.44 C ATOM 960 C LYS A 64 6.486 -10.582 0.470 1.00 24.03 C ATOM 961 O LYS A 64 6.903 -10.241 1.579 1.00 34.43 O ATOM 962 CB LYS A 64 8.242 -10.426 -1.287 1.00 60.14 C ATOM 963 CG LYS A 64 9.326 -10.495 -0.223 1.00 1.41 C ATOM 964 CD LYS A 64 10.499 -11.369 -0.653 1.00 32.31 C ATOM 965 CE LYS A 64 10.203 -12.865 -0.530 1.00 31.03 C ATOM 966 NZ LYS A 64 9.178 -13.332 -1.501 1.00 12.42 N ATOM 0 H LYS A 64 7.600 -8.188 0.282 1.00 13.03 H new ATOM 0 HA LYS A 64 6.180 -9.985 -1.580 1.00 54.44 H new ATOM 0 HB2 LYS A 64 8.066 -11.428 -1.678 1.00 60.14 H new ATOM 0 HB3 LYS A 64 8.600 -9.818 -2.118 1.00 60.14 H new ATOM 0 HG2 LYS A 64 9.685 -9.489 -0.006 1.00 1.41 H new ATOM 0 HG3 LYS A 64 8.902 -10.888 0.701 1.00 1.41 H new ATOM 0 HD2 LYS A 64 10.758 -11.139 -1.687 1.00 32.31 H new ATOM 0 HD3 LYS A 64 11.370 -11.125 -0.045 1.00 32.31 H new ATOM 0 HE2 LYS A 64 11.124 -13.427 -0.683 1.00 31.03 H new ATOM 0 HE3 LYS A 64 9.863 -13.081 0.483 1.00 31.03 H new ATOM 0 HZ1 LYS A 64 9.329 -14.340 -1.708 1.00 12.42 H new ATOM 0 HZ2 LYS A 64 8.230 -13.200 -1.095 1.00 12.42 H new ATOM 0 HZ3 LYS A 64 9.257 -12.783 -2.381 1.00 12.42 H new ATOM 980 N PHE A 65 5.653 -11.574 0.295 1.00 22.43 N ATOM 981 CA PHE A 65 5.197 -12.379 1.404 1.00 12.53 C ATOM 982 C PHE A 65 5.789 -13.774 1.291 1.00 22.21 C ATOM 983 O PHE A 65 6.567 -14.044 0.374 1.00 20.42 O ATOM 984 CB PHE A 65 3.670 -12.432 1.420 1.00 2.24 C ATOM 985 CG PHE A 65 3.024 -11.086 1.599 1.00 11.03 C ATOM 986 CD1 PHE A 65 2.810 -10.568 2.867 1.00 53.12 C ATOM 987 CD2 PHE A 65 2.630 -10.337 0.501 1.00 51.13 C ATOM 988 CE1 PHE A 65 2.219 -9.331 3.035 1.00 30.33 C ATOM 989 CE2 PHE A 65 2.038 -9.098 0.664 1.00 0.33 C ATOM 990 CZ PHE A 65 1.833 -8.595 1.933 1.00 65.34 C ATOM 0 H PHE A 65 5.273 -11.847 -0.611 1.00 22.43 H new ATOM 0 HA PHE A 65 5.529 -11.933 2.342 1.00 12.53 H new ATOM 0 HB2 PHE A 65 3.320 -12.873 0.486 1.00 2.24 H new ATOM 0 HB3 PHE A 65 3.346 -13.092 2.225 1.00 2.24 H new ATOM 0 HD1 PHE A 65 3.109 -11.139 3.734 1.00 53.12 H new ATOM 0 HD2 PHE A 65 2.787 -10.726 -0.494 1.00 51.13 H new ATOM 0 HE1 PHE A 65 2.059 -8.940 4.029 1.00 30.33 H new ATOM 0 HE2 PHE A 65 1.736 -8.525 -0.200 1.00 0.33 H new ATOM 0 HZ PHE A 65 1.371 -7.627 2.063 1.00 65.34 H new ATOM 1000 N GLU A 66 5.445 -14.645 2.223 1.00 50.22 N ATOM 1001 CA GLU A 66 5.936 -16.008 2.203 1.00 31.23 C ATOM 1002 C GLU A 66 5.219 -16.822 1.134 1.00 11.32 C ATOM 1003 O GLU A 66 5.850 -17.494 0.315 1.00 72.10 O ATOM 1004 CB GLU A 66 5.745 -16.639 3.577 1.00 54.45 C ATOM 1005 CG GLU A 66 6.417 -15.860 4.695 1.00 73.25 C ATOM 1006 CD GLU A 66 6.325 -16.560 6.030 1.00 70.14 C ATOM 1007 OE1 GLU A 66 5.280 -16.439 6.705 1.00 2.44 O ATOM 1008 OE2 GLU A 66 7.300 -17.235 6.413 1.00 52.40 O ATOM 0 H GLU A 66 4.826 -14.430 3.004 1.00 50.22 H new ATOM 0 HA GLU A 66 6.999 -15.999 1.960 1.00 31.23 H new ATOM 0 HB2 GLU A 66 4.679 -16.717 3.788 1.00 54.45 H new ATOM 0 HB3 GLU A 66 6.142 -17.654 3.561 1.00 54.45 H new ATOM 0 HG2 GLU A 66 7.466 -15.703 4.443 1.00 73.25 H new ATOM 0 HG3 GLU A 66 5.957 -14.875 4.773 1.00 73.25 H new ATOM 1015 N VAL A 67 3.898 -16.745 1.135 1.00 34.04 N ATOM 1016 CA VAL A 67 3.090 -17.464 0.162 1.00 24.41 C ATOM 1017 C VAL A 67 2.079 -16.531 -0.492 1.00 25.13 C ATOM 1018 O VAL A 67 1.894 -15.394 -0.051 1.00 30.20 O ATOM 1019 CB VAL A 67 2.351 -18.663 0.800 1.00 72.01 C ATOM 1020 CG1 VAL A 67 3.344 -19.697 1.309 1.00 14.25 C ATOM 1021 CG2 VAL A 67 1.432 -18.206 1.924 1.00 22.24 C ATOM 0 H VAL A 67 3.361 -16.190 1.801 1.00 34.04 H new ATOM 0 HA VAL A 67 3.772 -17.849 -0.596 1.00 24.41 H new ATOM 0 HB VAL A 67 1.735 -19.126 0.028 1.00 72.01 H new ATOM 0 HG11 VAL A 67 2.803 -20.532 1.754 1.00 14.25 H new ATOM 0 HG12 VAL A 67 3.951 -20.059 0.479 1.00 14.25 H new ATOM 0 HG13 VAL A 67 3.990 -19.242 2.059 1.00 14.25 H new ATOM 0 HG21 VAL A 67 0.926 -19.070 2.354 1.00 22.24 H new ATOM 0 HG22 VAL A 67 2.020 -17.709 2.696 1.00 22.24 H new ATOM 0 HG23 VAL A 67 0.691 -17.511 1.529 1.00 22.24 H new ATOM 1031 N SER A 68 1.421 -17.018 -1.533 1.00 74.55 N ATOM 1032 CA SER A 68 0.486 -16.214 -2.309 1.00 23.35 C ATOM 1033 C SER A 68 -0.734 -15.823 -1.481 1.00 11.51 C ATOM 1034 O SER A 68 -1.354 -14.782 -1.714 1.00 0.32 O ATOM 1035 CB SER A 68 0.057 -16.997 -3.546 1.00 32.15 C ATOM 1036 OG SER A 68 1.183 -17.568 -4.195 1.00 1.31 O ATOM 0 H SER A 68 1.519 -17.978 -1.864 1.00 74.55 H new ATOM 0 HA SER A 68 0.986 -15.293 -2.610 1.00 23.35 H new ATOM 0 HB2 SER A 68 -0.642 -17.783 -3.260 1.00 32.15 H new ATOM 0 HB3 SER A 68 -0.470 -16.337 -4.235 1.00 32.15 H new ATOM 0 HG SER A 68 0.887 -18.067 -4.985 1.00 1.31 H new ATOM 1042 N ALA A 69 -1.062 -16.661 -0.512 1.00 72.25 N ATOM 1043 CA ALA A 69 -2.206 -16.429 0.364 1.00 21.13 C ATOM 1044 C ALA A 69 -2.031 -15.143 1.165 1.00 3.44 C ATOM 1045 O ALA A 69 -2.976 -14.372 1.327 1.00 52.41 O ATOM 1046 CB ALA A 69 -2.407 -17.612 1.296 1.00 23.33 C ATOM 0 H ALA A 69 -0.548 -17.518 -0.308 1.00 72.25 H new ATOM 0 HA ALA A 69 -3.093 -16.320 -0.259 1.00 21.13 H new ATOM 0 HB1 ALA A 69 -3.264 -17.424 1.943 1.00 23.33 H new ATOM 0 HB2 ALA A 69 -2.587 -18.512 0.708 1.00 23.33 H new ATOM 0 HB3 ALA A 69 -1.515 -17.750 1.907 1.00 23.33 H new ATOM 1052 N GLU A 70 -0.812 -14.914 1.644 1.00 2.44 N ATOM 1053 CA GLU A 70 -0.502 -13.724 2.427 1.00 43.13 C ATOM 1054 C GLU A 70 -0.800 -12.476 1.601 1.00 1.10 C ATOM 1055 O GLU A 70 -1.369 -11.500 2.093 1.00 4.40 O ATOM 1056 CB GLU A 70 0.977 -13.715 2.827 1.00 10.44 C ATOM 1057 CG GLU A 70 1.528 -15.056 3.285 1.00 14.42 C ATOM 1058 CD GLU A 70 0.961 -15.523 4.604 1.00 75.42 C ATOM 1059 OE1 GLU A 70 -0.202 -15.967 4.633 1.00 44.22 O ATOM 1060 OE2 GLU A 70 1.693 -15.474 5.612 1.00 22.42 O ATOM 0 H GLU A 70 -0.020 -15.541 1.502 1.00 2.44 H new ATOM 0 HA GLU A 70 -1.116 -13.732 3.328 1.00 43.13 H new ATOM 0 HB2 GLU A 70 1.565 -13.369 1.977 1.00 10.44 H new ATOM 0 HB3 GLU A 70 1.117 -12.989 3.628 1.00 10.44 H new ATOM 0 HG2 GLU A 70 1.317 -15.806 2.522 1.00 14.42 H new ATOM 0 HG3 GLU A 70 2.612 -14.984 3.370 1.00 14.42 H new ATOM 1067 N LYS A 71 -0.414 -12.539 0.333 1.00 11.44 N ATOM 1068 CA LYS A 71 -0.610 -11.441 -0.602 1.00 35.04 C ATOM 1069 C LYS A 71 -2.096 -11.153 -0.764 1.00 15.34 C ATOM 1070 O LYS A 71 -2.543 -10.016 -0.617 1.00 55.22 O ATOM 1071 CB LYS A 71 -0.003 -11.824 -1.956 1.00 1.24 C ATOM 1072 CG LYS A 71 0.405 -10.643 -2.830 1.00 74.42 C ATOM 1073 CD LYS A 71 -0.797 -9.939 -3.441 1.00 64.42 C ATOM 1074 CE LYS A 71 -1.484 -10.799 -4.493 1.00 72.35 C ATOM 1075 NZ LYS A 71 -0.634 -10.986 -5.698 1.00 35.31 N ATOM 0 H LYS A 71 0.044 -13.354 -0.075 1.00 11.44 H new ATOM 0 HA LYS A 71 -0.120 -10.545 -0.220 1.00 35.04 H new ATOM 0 HB2 LYS A 71 0.873 -12.449 -1.782 1.00 1.24 H new ATOM 0 HB3 LYS A 71 -0.724 -12.431 -2.503 1.00 1.24 H new ATOM 0 HG2 LYS A 71 0.976 -9.932 -2.233 1.00 74.42 H new ATOM 0 HG3 LYS A 71 1.063 -10.992 -3.626 1.00 74.42 H new ATOM 0 HD2 LYS A 71 -1.509 -9.689 -2.655 1.00 64.42 H new ATOM 0 HD3 LYS A 71 -0.477 -9.000 -3.892 1.00 64.42 H new ATOM 0 HE2 LYS A 71 -1.726 -11.772 -4.065 1.00 72.35 H new ATOM 0 HE3 LYS A 71 -2.427 -10.335 -4.782 1.00 72.35 H new ATOM 0 HZ1 LYS A 71 -1.208 -11.382 -6.470 1.00 35.31 H new ATOM 0 HZ2 LYS A 71 -0.243 -10.068 -5.993 1.00 35.31 H new ATOM 0 HZ3 LYS A 71 0.145 -11.639 -5.476 1.00 35.31 H new ATOM 1089 N LEU A 72 -2.844 -12.201 -1.068 1.00 23.34 N ATOM 1090 CA LEU A 72 -4.283 -12.095 -1.290 1.00 14.12 C ATOM 1091 C LEU A 72 -4.996 -11.472 -0.090 1.00 21.43 C ATOM 1092 O LEU A 72 -5.803 -10.562 -0.251 1.00 22.13 O ATOM 1093 CB LEU A 72 -4.872 -13.475 -1.590 1.00 73.30 C ATOM 1094 CG LEU A 72 -4.360 -14.140 -2.871 1.00 1.04 C ATOM 1095 CD1 LEU A 72 -4.957 -15.529 -3.026 1.00 71.04 C ATOM 1096 CD2 LEU A 72 -4.685 -13.284 -4.085 1.00 20.04 C ATOM 0 H LEU A 72 -2.476 -13.147 -1.168 1.00 23.34 H new ATOM 0 HA LEU A 72 -4.438 -11.439 -2.147 1.00 14.12 H new ATOM 0 HB2 LEU A 72 -4.659 -14.134 -0.748 1.00 73.30 H new ATOM 0 HB3 LEU A 72 -5.956 -13.383 -1.656 1.00 73.30 H new ATOM 0 HG LEU A 72 -3.277 -14.236 -2.797 1.00 1.04 H new ATOM 0 HD11 LEU A 72 -4.582 -15.986 -3.942 1.00 71.04 H new ATOM 0 HD12 LEU A 72 -4.675 -16.144 -2.171 1.00 71.04 H new ATOM 0 HD13 LEU A 72 -6.043 -15.455 -3.076 1.00 71.04 H new ATOM 0 HD21 LEU A 72 -4.313 -13.773 -4.985 1.00 20.04 H new ATOM 0 HD22 LEU A 72 -5.765 -13.156 -4.161 1.00 20.04 H new ATOM 0 HD23 LEU A 72 -4.210 -12.308 -3.980 1.00 20.04 H new ATOM 1108 N ILE A 73 -4.681 -11.955 1.106 1.00 55.11 N ATOM 1109 CA ILE A 73 -5.320 -11.463 2.327 1.00 24.32 C ATOM 1110 C ILE A 73 -5.004 -9.984 2.563 1.00 2.51 C ATOM 1111 O ILE A 73 -5.839 -9.229 3.070 1.00 1.44 O ATOM 1112 CB ILE A 73 -4.897 -12.304 3.555 1.00 62.02 C ATOM 1113 CG1 ILE A 73 -5.284 -13.770 3.342 1.00 75.15 C ATOM 1114 CG2 ILE A 73 -5.538 -11.771 4.830 1.00 32.31 C ATOM 1115 CD1 ILE A 73 -4.842 -14.689 4.461 1.00 2.44 C ATOM 0 H ILE A 73 -3.987 -12.687 1.259 1.00 55.11 H new ATOM 0 HA ILE A 73 -6.397 -11.565 2.194 1.00 24.32 H new ATOM 0 HB ILE A 73 -3.815 -12.231 3.664 1.00 62.02 H new ATOM 0 HG12 ILE A 73 -6.367 -13.838 3.235 1.00 75.15 H new ATOM 0 HG13 ILE A 73 -4.849 -14.118 2.405 1.00 75.15 H new ATOM 0 HG21 ILE A 73 -5.224 -12.380 5.677 1.00 32.31 H new ATOM 0 HG22 ILE A 73 -5.226 -10.739 4.990 1.00 32.31 H new ATOM 0 HG23 ILE A 73 -6.623 -11.812 4.736 1.00 32.31 H new ATOM 0 HD11 ILE A 73 -5.152 -15.710 4.238 1.00 2.44 H new ATOM 0 HD12 ILE A 73 -3.757 -14.652 4.555 1.00 2.44 H new ATOM 0 HD13 ILE A 73 -5.298 -14.368 5.397 1.00 2.44 H new ATOM 1127 N PHE A 74 -3.801 -9.575 2.191 1.00 32.40 N ATOM 1128 CA PHE A 74 -3.408 -8.176 2.276 1.00 3.52 C ATOM 1129 C PHE A 74 -4.182 -7.348 1.253 1.00 31.11 C ATOM 1130 O PHE A 74 -4.758 -6.310 1.590 1.00 74.42 O ATOM 1131 CB PHE A 74 -1.898 -8.043 2.049 1.00 43.22 C ATOM 1132 CG PHE A 74 -1.396 -6.625 2.030 1.00 4.01 C ATOM 1133 CD1 PHE A 74 -1.240 -5.914 3.207 1.00 31.33 C ATOM 1134 CD2 PHE A 74 -1.078 -6.007 0.830 1.00 32.02 C ATOM 1135 CE1 PHE A 74 -0.776 -4.612 3.190 1.00 62.51 C ATOM 1136 CE2 PHE A 74 -0.614 -4.706 0.807 1.00 62.53 C ATOM 1137 CZ PHE A 74 -0.462 -4.008 1.989 1.00 74.11 C ATOM 0 H PHE A 74 -3.077 -10.194 1.826 1.00 32.40 H new ATOM 0 HA PHE A 74 -3.644 -7.799 3.271 1.00 3.52 H new ATOM 0 HB2 PHE A 74 -1.375 -8.590 2.833 1.00 43.22 H new ATOM 0 HB3 PHE A 74 -1.642 -8.519 1.103 1.00 43.22 H new ATOM 0 HD1 PHE A 74 -1.484 -6.382 4.150 1.00 31.33 H new ATOM 0 HD2 PHE A 74 -1.194 -6.549 -0.097 1.00 32.02 H new ATOM 0 HE1 PHE A 74 -0.659 -4.068 4.115 1.00 62.51 H new ATOM 0 HE2 PHE A 74 -0.370 -4.235 -0.134 1.00 62.53 H new ATOM 0 HZ PHE A 74 -0.098 -2.991 1.974 1.00 74.11 H new ATOM 1147 N GLU A 75 -4.218 -7.832 0.018 1.00 2.05 N ATOM 1148 CA GLU A 75 -4.899 -7.133 -1.065 1.00 1.40 C ATOM 1149 C GLU A 75 -6.415 -7.094 -0.851 1.00 54.15 C ATOM 1150 O GLU A 75 -7.080 -6.146 -1.260 1.00 10.31 O ATOM 1151 CB GLU A 75 -4.551 -7.773 -2.412 1.00 52.31 C ATOM 1152 CG GLU A 75 -3.140 -7.458 -2.891 1.00 1.34 C ATOM 1153 CD GLU A 75 -2.912 -5.979 -3.177 1.00 33.31 C ATOM 1154 OE1 GLU A 75 -3.884 -5.193 -3.137 1.00 13.34 O ATOM 1155 OE2 GLU A 75 -1.756 -5.600 -3.467 1.00 20.24 O ATOM 0 H GLU A 75 -3.781 -8.711 -0.260 1.00 2.05 H new ATOM 0 HA GLU A 75 -4.549 -6.101 -1.069 1.00 1.40 H new ATOM 0 HB2 GLU A 75 -4.665 -8.854 -2.331 1.00 52.31 H new ATOM 0 HB3 GLU A 75 -5.265 -7.432 -3.162 1.00 52.31 H new ATOM 0 HG2 GLU A 75 -2.426 -7.788 -2.136 1.00 1.34 H new ATOM 0 HG3 GLU A 75 -2.935 -8.031 -3.796 1.00 1.34 H new ATOM 1162 N LEU A 76 -6.959 -8.112 -0.197 1.00 3.03 N ATOM 1163 CA LEU A 76 -8.364 -8.130 0.157 1.00 14.33 C ATOM 1164 C LEU A 76 -8.698 -6.945 1.052 1.00 35.23 C ATOM 1165 O LEU A 76 -9.765 -6.337 0.936 1.00 65.31 O ATOM 1166 CB LEU A 76 -8.680 -9.437 0.879 1.00 55.22 C ATOM 1167 CG LEU A 76 -8.847 -10.668 -0.012 1.00 4.24 C ATOM 1168 CD1 LEU A 76 -8.960 -11.925 0.838 1.00 60.14 C ATOM 1169 CD2 LEU A 76 -10.074 -10.514 -0.890 1.00 10.23 C ATOM 0 H LEU A 76 -6.441 -8.939 0.099 1.00 3.03 H new ATOM 0 HA LEU A 76 -8.966 -8.057 -0.749 1.00 14.33 H new ATOM 0 HB2 LEU A 76 -7.883 -9.636 1.595 1.00 55.22 H new ATOM 0 HB3 LEU A 76 -9.597 -9.300 1.453 1.00 55.22 H new ATOM 0 HG LEU A 76 -7.968 -10.760 -0.651 1.00 4.24 H new ATOM 0 HD11 LEU A 76 -9.078 -12.793 0.190 1.00 60.14 H new ATOM 0 HD12 LEU A 76 -8.058 -12.041 1.438 1.00 60.14 H new ATOM 0 HD13 LEU A 76 -9.825 -11.843 1.496 1.00 60.14 H new ATOM 0 HD21 LEU A 76 -10.183 -11.396 -1.520 1.00 10.23 H new ATOM 0 HD22 LEU A 76 -10.959 -10.404 -0.263 1.00 10.23 H new ATOM 0 HD23 LEU A 76 -9.963 -9.630 -1.519 1.00 10.23 H new ATOM 1181 N LYS A 77 -7.768 -6.623 1.932 1.00 61.24 N ATOM 1182 CA LYS A 77 -7.917 -5.494 2.832 1.00 72.45 C ATOM 1183 C LYS A 77 -7.764 -4.172 2.081 1.00 20.14 C ATOM 1184 O LYS A 77 -8.581 -3.262 2.234 1.00 45.21 O ATOM 1185 CB LYS A 77 -6.890 -5.596 3.959 1.00 34.21 C ATOM 1186 CG LYS A 77 -7.213 -6.696 4.953 1.00 74.25 C ATOM 1187 CD LYS A 77 -6.143 -6.820 6.020 1.00 3.21 C ATOM 1188 CE LYS A 77 -6.512 -7.871 7.050 1.00 0.25 C ATOM 1189 NZ LYS A 77 -6.773 -9.198 6.430 1.00 24.30 N ATOM 0 H LYS A 77 -6.892 -7.134 2.043 1.00 61.24 H new ATOM 0 HA LYS A 77 -8.919 -5.518 3.260 1.00 72.45 H new ATOM 0 HB2 LYS A 77 -5.904 -5.778 3.531 1.00 34.21 H new ATOM 0 HB3 LYS A 77 -6.838 -4.642 4.484 1.00 34.21 H new ATOM 0 HG2 LYS A 77 -8.174 -6.490 5.424 1.00 74.25 H new ATOM 0 HG3 LYS A 77 -7.313 -7.645 4.426 1.00 74.25 H new ATOM 0 HD2 LYS A 77 -5.192 -7.081 5.556 1.00 3.21 H new ATOM 0 HD3 LYS A 77 -6.004 -5.858 6.513 1.00 3.21 H new ATOM 0 HE2 LYS A 77 -5.705 -7.964 7.777 1.00 0.25 H new ATOM 0 HE3 LYS A 77 -7.398 -7.547 7.596 1.00 0.25 H new ATOM 0 HZ1 LYS A 77 -7.782 -9.432 6.523 1.00 24.30 H new ATOM 0 HZ2 LYS A 77 -6.516 -9.167 5.423 1.00 24.30 H new ATOM 0 HZ3 LYS A 77 -6.203 -9.924 6.910 1.00 24.30 H new ATOM 1203 N THR A 78 -6.736 -4.085 1.249 1.00 52.02 N ATOM 1204 CA THR A 78 -6.417 -2.854 0.537 1.00 30.02 C ATOM 1205 C THR A 78 -7.492 -2.469 -0.483 1.00 25.33 C ATOM 1206 O THR A 78 -7.793 -1.284 -0.649 1.00 10.15 O ATOM 1207 CB THR A 78 -5.055 -2.976 -0.172 1.00 12.04 C ATOM 1208 OG1 THR A 78 -4.978 -4.240 -0.831 1.00 4.43 O ATOM 1209 CG2 THR A 78 -3.912 -2.848 0.821 1.00 15.01 C ATOM 0 H THR A 78 -6.103 -4.859 1.049 1.00 52.02 H new ATOM 0 HA THR A 78 -6.374 -2.064 1.287 1.00 30.02 H new ATOM 0 HB THR A 78 -4.968 -2.170 -0.900 1.00 12.04 H new ATOM 0 HG1 THR A 78 -4.477 -4.143 -1.668 1.00 4.43 H new ATOM 0 HG21 THR A 78 -2.961 -2.938 0.295 1.00 15.01 H new ATOM 0 HG22 THR A 78 -3.964 -1.877 1.313 1.00 15.01 H new ATOM 0 HG23 THR A 78 -3.989 -3.638 1.568 1.00 15.01 H new ATOM 1217 N ARG A 79 -8.083 -3.466 -1.148 1.00 11.05 N ATOM 1218 CA ARG A 79 -9.068 -3.217 -2.190 1.00 4.12 C ATOM 1219 C ARG A 79 -10.214 -2.341 -1.695 1.00 33.03 C ATOM 1220 O ARG A 79 -10.545 -1.333 -2.319 1.00 44.23 O ATOM 1221 CB ARG A 79 -9.626 -4.534 -2.719 1.00 43.44 C ATOM 1222 CG ARG A 79 -8.660 -5.316 -3.592 1.00 72.21 C ATOM 1223 CD ARG A 79 -9.380 -6.395 -4.388 1.00 21.34 C ATOM 1224 NE ARG A 79 -10.280 -7.205 -3.561 1.00 22.33 N ATOM 1225 CZ ARG A 79 -10.911 -8.295 -4.001 1.00 22.04 C ATOM 1226 NH1 ARG A 79 -10.731 -8.716 -5.249 1.00 74.15 N ATOM 1227 NH2 ARG A 79 -11.739 -8.951 -3.199 1.00 31.14 N ATOM 0 H ARG A 79 -7.892 -4.453 -0.978 1.00 11.05 H new ATOM 0 HA ARG A 79 -8.558 -2.684 -2.993 1.00 4.12 H new ATOM 0 HB2 ARG A 79 -9.919 -5.157 -1.874 1.00 43.44 H new ATOM 0 HB3 ARG A 79 -10.530 -4.328 -3.292 1.00 43.44 H new ATOM 0 HG2 ARG A 79 -8.152 -4.635 -4.275 1.00 72.21 H new ATOM 0 HG3 ARG A 79 -7.892 -5.773 -2.968 1.00 72.21 H new ATOM 0 HD2 ARG A 79 -9.952 -5.928 -5.190 1.00 21.34 H new ATOM 0 HD3 ARG A 79 -8.643 -7.045 -4.859 1.00 21.34 H new ATOM 0 HE ARG A 79 -10.432 -6.919 -2.594 1.00 22.33 H new ATOM 0 HH11 ARG A 79 -10.108 -8.205 -5.875 1.00 74.15 H new ATOM 0 HH12 ARG A 79 -11.216 -9.550 -5.581 1.00 74.15 H new ATOM 0 HH21 ARG A 79 -11.893 -8.622 -2.246 1.00 31.14 H new ATOM 0 HH22 ARG A 79 -12.221 -9.784 -3.535 1.00 31.14 H new ATOM 1241 N SER A 80 -10.800 -2.715 -0.565 1.00 64.54 N ATOM 1242 CA SER A 80 -11.959 -2.004 -0.046 1.00 61.41 C ATOM 1243 C SER A 80 -11.525 -0.827 0.830 1.00 20.30 C ATOM 1244 O SER A 80 -12.328 0.051 1.157 1.00 30.23 O ATOM 1245 CB SER A 80 -12.860 -2.964 0.736 1.00 73.15 C ATOM 1246 OG SER A 80 -14.156 -2.419 0.929 1.00 21.31 O ATOM 0 H SER A 80 -10.493 -3.502 0.006 1.00 64.54 H new ATOM 0 HA SER A 80 -12.527 -1.604 -0.886 1.00 61.41 H new ATOM 0 HB2 SER A 80 -12.938 -3.910 0.200 1.00 73.15 H new ATOM 0 HB3 SER A 80 -12.408 -3.182 1.704 1.00 73.15 H new ATOM 0 HG SER A 80 -14.084 -1.458 1.106 1.00 21.31 H new ATOM 1252 N LEU A 81 -10.247 -0.797 1.190 1.00 32.22 N ATOM 1253 CA LEU A 81 -9.700 0.287 1.972 1.00 73.50 C ATOM 1254 C LEU A 81 -9.466 1.502 1.080 1.00 21.25 C ATOM 1255 O LEU A 81 -9.874 2.615 1.404 1.00 53.43 O ATOM 1256 CB LEU A 81 -8.396 -0.165 2.633 1.00 43.21 C ATOM 1257 CG LEU A 81 -7.479 0.962 3.078 1.00 41.50 C ATOM 1258 CD1 LEU A 81 -8.091 1.746 4.232 1.00 3.10 C ATOM 1259 CD2 LEU A 81 -6.104 0.427 3.451 1.00 72.33 C ATOM 0 H LEU A 81 -9.571 -1.521 0.946 1.00 32.22 H new ATOM 0 HA LEU A 81 -10.406 0.568 2.754 1.00 73.50 H new ATOM 0 HB2 LEU A 81 -8.639 -0.779 3.500 1.00 43.21 H new ATOM 0 HB3 LEU A 81 -7.853 -0.801 1.934 1.00 43.21 H new ATOM 0 HG LEU A 81 -7.359 1.647 2.238 1.00 41.50 H new ATOM 0 HD11 LEU A 81 -7.412 2.546 4.529 1.00 3.10 H new ATOM 0 HD12 LEU A 81 -9.042 2.175 3.916 1.00 3.10 H new ATOM 0 HD13 LEU A 81 -8.257 1.079 5.078 1.00 3.10 H new ATOM 0 HD21 LEU A 81 -5.466 1.252 3.766 1.00 72.33 H new ATOM 0 HD22 LEU A 81 -6.201 -0.289 4.267 1.00 72.33 H new ATOM 0 HD23 LEU A 81 -5.659 -0.066 2.587 1.00 72.33 H new