USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 417 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 80:sc= -1.18 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.00072) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 149:sc= 0.092 USER MOD Single : A 35 HIS : no HD1:sc= -2.05 K(o=-2,f=-0.76) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.388) USER MOD Single : A 46 THR OG1 : rot -170:sc= -0.0472 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.55 X(o=-1.6,f=-2!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.72) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 -4.489 16.514 -1.152 1.00 0.00 N ATOM 89 CA VAL A 9 -4.946 16.715 -2.522 1.00 0.00 C ATOM 90 C VAL A 9 -5.373 15.397 -3.158 1.00 0.00 C ATOM 91 O VAL A 9 -4.710 14.373 -2.992 1.00 0.00 O ATOM 92 CB VAL A 9 -3.849 17.360 -3.390 1.00 0.00 C ATOM 93 CG1 VAL A 9 -4.331 17.524 -4.823 1.00 0.00 C ATOM 94 CG2 VAL A 9 -3.426 18.699 -2.805 1.00 0.00 C ATOM 0 HA VAL A 9 -5.803 17.386 -2.475 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.980 16.702 -3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.543 17.981 -5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.581 16.547 -5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.215 18.162 -4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.650 19.141 -3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.286 19.367 -2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.038 18.550 -1.797 1.00 0.00 H new ATOM 104 N TRP A 10 -6.483 15.431 -3.886 1.00 0.00 N ATOM 105 CA TRP A 10 -6.999 14.238 -4.548 1.00 0.00 C ATOM 106 C TRP A 10 -6.445 14.119 -5.964 1.00 0.00 C ATOM 107 O TRP A 10 -5.791 15.034 -6.465 1.00 0.00 O ATOM 108 CB TRP A 10 -8.528 14.272 -4.587 1.00 0.00 C ATOM 109 CG TRP A 10 -9.158 14.182 -3.230 1.00 0.00 C ATOM 110 CD1 TRP A 10 -9.799 15.182 -2.556 1.00 0.00 C ATOM 111 CD2 TRP A 10 -9.205 13.030 -2.382 1.00 0.00 C ATOM 112 NE1 TRP A 10 -10.242 14.721 -1.340 1.00 0.00 N ATOM 113 CE2 TRP A 10 -9.891 13.403 -1.209 1.00 0.00 C ATOM 114 CE3 TRP A 10 -8.736 11.719 -2.499 1.00 0.00 C ATOM 115 CZ2 TRP A 10 -10.117 12.512 -0.164 1.00 0.00 C ATOM 116 CZ3 TRP A 10 -8.961 10.835 -1.460 1.00 0.00 C ATOM 117 CH2 TRP A 10 -9.647 11.235 -0.305 1.00 0.00 C ATOM 0 H TRP A 10 -7.043 16.271 -4.033 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.676 13.368 -3.977 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -8.852 15.194 -5.070 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -8.887 13.447 -5.202 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.937 16.188 -2.925 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -10.750 15.271 -0.647 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.207 11.402 -3.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.645 12.818 0.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.602 9.819 -1.540 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -9.808 10.521 0.489 1.00 0.00 H new ATOM 128 N LYS A 11 -6.711 12.986 -6.605 1.00 0.00 N ATOM 129 CA LYS A 11 -6.241 12.747 -7.965 1.00 0.00 C ATOM 130 C LYS A 11 -7.170 11.788 -8.701 1.00 0.00 C ATOM 131 O LYS A 11 -7.824 10.936 -8.100 1.00 0.00 O ATOM 132 CB LYS A 11 -4.819 12.181 -7.942 1.00 0.00 C ATOM 133 CG LYS A 11 -4.672 10.941 -7.079 1.00 0.00 C ATOM 134 CD LYS A 11 -4.412 11.300 -5.625 1.00 0.00 C ATOM 135 CE LYS A 11 -2.934 11.552 -5.369 1.00 0.00 C ATOM 136 NZ LYS A 11 -2.651 11.762 -3.922 1.00 0.00 N ATOM 0 H LYS A 11 -7.250 12.218 -6.204 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.238 13.699 -8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.516 11.942 -8.961 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.137 12.949 -7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.578 10.338 -7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.852 10.330 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.985 12.189 -5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.761 10.492 -4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.352 10.705 -5.734 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.611 12.427 -5.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.634 11.931 -3.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.186 12.585 -3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.935 10.917 -3.386 1.00 0.00 H new ATOM 150 N PRO A 12 -7.229 11.926 -10.034 1.00 0.00 N ATOM 151 CA PRO A 12 -8.074 11.079 -10.881 1.00 0.00 C ATOM 152 C PRO A 12 -7.565 9.643 -10.955 1.00 0.00 C ATOM 153 O PRO A 12 -6.625 9.344 -11.690 1.00 0.00 O ATOM 154 CB PRO A 12 -7.984 11.749 -12.254 1.00 0.00 C ATOM 155 CG PRO A 12 -6.684 12.475 -12.238 1.00 0.00 C ATOM 156 CD PRO A 12 -6.476 12.921 -10.817 1.00 0.00 C ATOM 0 HA PRO A 12 -9.090 11.001 -10.495 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.016 11.012 -13.057 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.817 12.433 -12.416 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.871 11.827 -12.567 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.705 13.328 -12.916 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.420 12.928 -10.548 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.853 13.930 -10.653 1.00 0.00 H new ATOM 164 N GLY A 13 -8.193 8.757 -10.188 1.00 0.00 N ATOM 165 CA GLY A 13 -7.790 7.363 -10.182 1.00 0.00 C ATOM 166 C GLY A 13 -7.378 6.885 -8.803 1.00 0.00 C ATOM 167 O GLY A 13 -6.432 6.109 -8.665 1.00 0.00 O ATOM 0 H GLY A 13 -8.974 8.980 -9.571 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.613 6.748 -10.545 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.959 7.225 -10.874 1.00 0.00 H new ATOM 171 N ASP A 14 -8.088 7.349 -7.781 1.00 0.00 N ATOM 172 CA ASP A 14 -7.791 6.964 -6.406 1.00 0.00 C ATOM 173 C ASP A 14 -9.072 6.633 -5.646 1.00 0.00 C ATOM 174 O ASP A 14 -9.910 7.504 -5.415 1.00 0.00 O ATOM 175 CB ASP A 14 -7.035 8.086 -5.692 1.00 0.00 C ATOM 176 CG ASP A 14 -5.567 8.125 -6.068 1.00 0.00 C ATOM 177 OD1 ASP A 14 -5.265 8.105 -7.279 1.00 0.00 O ATOM 178 OD2 ASP A 14 -4.720 8.174 -5.151 1.00 0.00 O ATOM 0 H ASP A 14 -8.873 7.992 -7.878 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.164 6.073 -6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.495 9.043 -5.937 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.128 7.954 -4.614 1.00 0.00 H new ATOM 183 N GLU A 15 -9.216 5.368 -5.262 1.00 0.00 N ATOM 184 CA GLU A 15 -10.396 4.923 -4.530 1.00 0.00 C ATOM 185 C GLU A 15 -10.610 5.768 -3.277 1.00 0.00 C ATOM 186 O GLU A 15 -9.706 5.914 -2.453 1.00 0.00 O ATOM 187 CB GLU A 15 -10.258 3.448 -4.146 1.00 0.00 C ATOM 188 CG GLU A 15 -8.969 3.128 -3.408 1.00 0.00 C ATOM 189 CD GLU A 15 -8.495 1.708 -3.649 1.00 0.00 C ATOM 190 OE1 GLU A 15 -9.299 0.773 -3.455 1.00 0.00 O ATOM 191 OE2 GLU A 15 -7.320 1.533 -4.033 1.00 0.00 O ATOM 0 H GLU A 15 -8.531 4.635 -5.445 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.262 5.043 -5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.105 3.163 -3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.310 2.840 -5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.192 3.825 -3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.119 3.280 -2.339 1.00 0.00 H new ATOM 198 N CYS A 16 -11.810 6.321 -3.142 1.00 0.00 N ATOM 199 CA CYS A 16 -12.143 7.153 -1.991 1.00 0.00 C ATOM 200 C CYS A 16 -13.605 6.973 -1.596 1.00 0.00 C ATOM 201 O CYS A 16 -14.360 6.274 -2.271 1.00 0.00 O ATOM 202 CB CYS A 16 -11.863 8.624 -2.300 1.00 0.00 C ATOM 203 SG CYS A 16 -12.824 9.284 -3.682 1.00 0.00 S ATOM 0 H CYS A 16 -12.568 6.209 -3.815 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.518 6.840 -1.155 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.072 9.217 -1.410 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.802 8.742 -2.520 1.00 0.00 H new ATOM 0 HG CYS A 16 -14.023 9.578 -3.275 1.00 0.00 H new ATOM 209 N PHE A 17 -13.997 7.608 -0.496 1.00 0.00 N ATOM 210 CA PHE A 17 -15.369 7.516 -0.008 1.00 0.00 C ATOM 211 C PHE A 17 -16.129 8.812 -0.276 1.00 0.00 C ATOM 212 O PHE A 17 -15.693 9.892 0.121 1.00 0.00 O ATOM 213 CB PHE A 17 -15.380 7.205 1.490 1.00 0.00 C ATOM 214 CG PHE A 17 -15.224 5.743 1.799 1.00 0.00 C ATOM 215 CD1 PHE A 17 -16.274 4.862 1.596 1.00 0.00 C ATOM 216 CD2 PHE A 17 -14.028 5.250 2.294 1.00 0.00 C ATOM 217 CE1 PHE A 17 -16.134 3.517 1.880 1.00 0.00 C ATOM 218 CE2 PHE A 17 -13.882 3.906 2.579 1.00 0.00 C ATOM 219 CZ PHE A 17 -14.936 3.038 2.373 1.00 0.00 C ATOM 0 H PHE A 17 -13.385 8.191 0.074 1.00 0.00 H new ATOM 0 HA PHE A 17 -15.866 6.707 -0.543 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.575 7.759 1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.316 7.561 1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -17.213 5.231 1.211 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.200 5.924 2.459 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -16.960 2.841 1.717 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.943 3.534 2.963 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.824 1.987 2.597 1.00 0.00 H new ATOM 229 N ALA A 18 -17.267 8.694 -0.952 1.00 0.00 N ATOM 230 CA ALA A 18 -18.089 9.855 -1.271 1.00 0.00 C ATOM 231 C ALA A 18 -19.406 9.823 -0.504 1.00 0.00 C ATOM 232 O ALA A 18 -20.033 8.771 -0.369 1.00 0.00 O ATOM 233 CB ALA A 18 -18.350 9.921 -2.769 1.00 0.00 C ATOM 0 H ALA A 18 -17.641 7.807 -1.289 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.544 10.749 -0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.965 10.793 -2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -17.402 10.000 -3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.871 9.018 -3.088 1.00 0.00 H new ATOM 239 N LEU A 19 -19.820 10.981 -0.001 1.00 0.00 N ATOM 240 CA LEU A 19 -21.064 11.086 0.755 1.00 0.00 C ATOM 241 C LEU A 19 -22.254 11.283 -0.179 1.00 0.00 C ATOM 242 O LEU A 19 -22.428 12.353 -0.762 1.00 0.00 O ATOM 243 CB LEU A 19 -20.984 12.246 1.748 1.00 0.00 C ATOM 244 CG LEU A 19 -21.796 12.086 3.034 1.00 0.00 C ATOM 245 CD1 LEU A 19 -21.216 10.975 3.896 1.00 0.00 C ATOM 246 CD2 LEU A 19 -21.836 13.396 3.806 1.00 0.00 C ATOM 0 H LEU A 19 -19.313 11.860 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 19 -21.206 10.155 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -19.939 12.395 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.315 13.154 1.243 1.00 0.00 H new ATOM 0 HG LEU A 19 -22.817 11.815 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -21.806 10.875 4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.240 10.036 3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -20.185 11.217 4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -22.418 13.263 4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -20.821 13.697 4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -22.298 14.167 3.190 1.00 0.00 H new ATOM 258 N TYR A 20 -23.071 10.244 -0.315 1.00 0.00 N ATOM 259 CA TYR A 20 -24.244 10.302 -1.178 1.00 0.00 C ATOM 260 C TYR A 20 -25.005 11.609 -0.976 1.00 0.00 C ATOM 261 O TYR A 20 -25.141 12.093 0.148 1.00 0.00 O ATOM 262 CB TYR A 20 -25.167 9.114 -0.901 1.00 0.00 C ATOM 263 CG TYR A 20 -25.972 8.679 -2.105 1.00 0.00 C ATOM 264 CD1 TYR A 20 -25.376 8.544 -3.352 1.00 0.00 C ATOM 265 CD2 TYR A 20 -27.329 8.402 -1.994 1.00 0.00 C ATOM 266 CE1 TYR A 20 -26.107 8.147 -4.454 1.00 0.00 C ATOM 267 CE2 TYR A 20 -28.068 8.003 -3.090 1.00 0.00 C ATOM 268 CZ TYR A 20 -27.453 7.878 -4.319 1.00 0.00 C ATOM 269 OH TYR A 20 -28.186 7.481 -5.414 1.00 0.00 O ATOM 0 H TYR A 20 -22.942 9.352 0.162 1.00 0.00 H new ATOM 0 HA TYR A 20 -23.904 10.256 -2.213 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.568 8.273 -0.552 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -25.850 9.376 -0.093 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -24.322 8.753 -3.462 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -27.814 8.500 -1.034 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -25.627 8.048 -5.417 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -29.122 7.790 -2.986 1.00 0.00 H new ATOM 0 HH TYR A 20 -29.117 7.331 -5.147 1.00 0.00 H new ATOM 279 N TRP A 21 -25.498 12.175 -2.072 1.00 0.00 N ATOM 280 CA TRP A 21 -26.246 13.426 -2.016 1.00 0.00 C ATOM 281 C TRP A 21 -27.711 13.170 -1.678 1.00 0.00 C ATOM 282 O TRP A 21 -28.513 14.100 -1.614 1.00 0.00 O ATOM 283 CB TRP A 21 -26.139 14.168 -3.349 1.00 0.00 C ATOM 284 CG TRP A 21 -26.740 13.415 -4.497 1.00 0.00 C ATOM 285 CD1 TRP A 21 -26.100 12.541 -5.330 1.00 0.00 C ATOM 286 CD2 TRP A 21 -28.100 13.472 -4.941 1.00 0.00 C ATOM 287 NE1 TRP A 21 -26.981 12.051 -6.264 1.00 0.00 N ATOM 288 CE2 TRP A 21 -28.215 12.606 -6.046 1.00 0.00 C ATOM 289 CE3 TRP A 21 -29.233 14.167 -4.511 1.00 0.00 C ATOM 290 CZ2 TRP A 21 -29.416 12.420 -6.725 1.00 0.00 C ATOM 291 CZ3 TRP A 21 -30.425 13.982 -5.186 1.00 0.00 C ATOM 292 CH2 TRP A 21 -30.509 13.114 -6.282 1.00 0.00 C ATOM 0 H TRP A 21 -25.393 11.788 -3.010 1.00 0.00 H new ATOM 0 HA TRP A 21 -25.814 14.044 -1.229 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -26.634 15.135 -3.259 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -25.089 14.366 -3.563 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -25.055 12.275 -5.264 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -26.753 11.383 -7.000 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -29.179 14.837 -3.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -29.483 11.752 -7.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -31.306 14.516 -4.863 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -31.455 12.990 -6.788 1.00 0.00 H new ATOM 303 N GLU A 22 -28.051 11.903 -1.463 1.00 0.00 N ATOM 304 CA GLU A 22 -29.421 11.526 -1.133 1.00 0.00 C ATOM 305 C GLU A 22 -29.485 10.850 0.233 1.00 0.00 C ATOM 306 O GLU A 22 -30.486 10.950 0.941 1.00 0.00 O ATOM 307 CB GLU A 22 -29.989 10.593 -2.204 1.00 0.00 C ATOM 308 CG GLU A 22 -30.693 11.322 -3.336 1.00 0.00 C ATOM 309 CD GLU A 22 -32.013 11.932 -2.906 1.00 0.00 C ATOM 310 OE1 GLU A 22 -32.153 12.259 -1.708 1.00 0.00 O ATOM 311 OE2 GLU A 22 -32.906 12.082 -3.765 1.00 0.00 O ATOM 0 H GLU A 22 -27.398 11.121 -1.511 1.00 0.00 H new ATOM 0 HA GLU A 22 -30.022 12.434 -1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -29.179 9.993 -2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -30.690 9.902 -1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -30.041 12.108 -3.718 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -30.869 10.627 -4.157 1.00 0.00 H new ATOM 318 N ASP A 23 -28.409 10.160 0.596 1.00 0.00 N ATOM 319 CA ASP A 23 -28.341 9.466 1.876 1.00 0.00 C ATOM 320 C ASP A 23 -27.346 10.148 2.811 1.00 0.00 C ATOM 321 O ASP A 23 -27.437 10.018 4.031 1.00 0.00 O ATOM 322 CB ASP A 23 -27.944 8.004 1.668 1.00 0.00 C ATOM 323 CG ASP A 23 -28.470 7.099 2.766 1.00 0.00 C ATOM 324 OD1 ASP A 23 -29.706 7.009 2.917 1.00 0.00 O ATOM 325 OD2 ASP A 23 -27.646 6.483 3.473 1.00 0.00 O ATOM 0 H ASP A 23 -27.572 10.067 0.021 1.00 0.00 H new ATOM 0 HA ASP A 23 -29.329 9.504 2.335 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -28.323 7.661 0.706 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -26.857 7.928 1.628 1.00 0.00 H new ATOM 330 N ASN A 24 -26.397 10.873 2.230 1.00 0.00 N ATOM 331 CA ASN A 24 -25.384 11.574 3.011 1.00 0.00 C ATOM 332 C ASN A 24 -24.537 10.589 3.812 1.00 0.00 C ATOM 333 O ASN A 24 -24.094 10.892 4.920 1.00 0.00 O ATOM 334 CB ASN A 24 -26.045 12.581 3.955 1.00 0.00 C ATOM 335 CG ASN A 24 -26.497 13.837 3.236 1.00 0.00 C ATOM 336 OD1 ASN A 24 -25.682 14.583 2.693 1.00 0.00 O ATOM 337 ND2 ASN A 24 -27.804 14.076 3.228 1.00 0.00 N ATOM 0 H ASN A 24 -26.308 10.991 1.221 1.00 0.00 H new ATOM 0 HA ASN A 24 -24.732 12.108 2.319 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -26.903 12.113 4.438 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.343 12.850 4.744 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -28.168 14.905 2.759 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -28.443 13.430 3.691 1.00 0.00 H new ATOM 344 N LYS A 25 -24.315 9.409 3.243 1.00 0.00 N ATOM 345 CA LYS A 25 -23.520 8.380 3.901 1.00 0.00 C ATOM 346 C LYS A 25 -22.260 8.069 3.099 1.00 0.00 C ATOM 347 O LYS A 25 -22.282 8.062 1.868 1.00 0.00 O ATOM 348 CB LYS A 25 -24.348 7.106 4.083 1.00 0.00 C ATOM 349 CG LYS A 25 -25.371 7.200 5.202 1.00 0.00 C ATOM 350 CD LYS A 25 -25.697 5.831 5.776 1.00 0.00 C ATOM 351 CE LYS A 25 -24.620 5.361 6.742 1.00 0.00 C ATOM 352 NZ LYS A 25 -24.608 3.878 6.881 1.00 0.00 N ATOM 0 H LYS A 25 -24.675 9.142 2.327 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.223 8.757 4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -24.863 6.881 3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -23.676 6.272 4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -24.988 7.845 5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -26.282 7.664 4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -26.657 5.870 6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -25.800 5.110 4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -23.645 5.701 6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -24.785 5.816 7.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -23.860 3.598 7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -25.530 3.555 7.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -24.426 3.444 5.954 1.00 0.00 H new ATOM 366 N PHE A 26 -21.164 7.812 3.804 1.00 0.00 N ATOM 367 CA PHE A 26 -19.895 7.500 3.157 1.00 0.00 C ATOM 368 C PHE A 26 -19.973 6.166 2.420 1.00 0.00 C ATOM 369 O PHE A 26 -20.137 5.113 3.036 1.00 0.00 O ATOM 370 CB PHE A 26 -18.768 7.458 4.191 1.00 0.00 C ATOM 371 CG PHE A 26 -18.347 8.817 4.674 1.00 0.00 C ATOM 372 CD1 PHE A 26 -17.909 9.780 3.779 1.00 0.00 C ATOM 373 CD2 PHE A 26 -18.389 9.131 6.023 1.00 0.00 C ATOM 374 CE1 PHE A 26 -17.520 11.030 4.221 1.00 0.00 C ATOM 375 CE2 PHE A 26 -18.002 10.380 6.470 1.00 0.00 C ATOM 376 CZ PHE A 26 -17.568 11.331 5.568 1.00 0.00 C ATOM 0 H PHE A 26 -21.129 7.814 4.823 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.684 8.285 2.431 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -19.091 6.862 5.044 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.906 6.952 3.757 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.871 9.551 2.724 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -18.728 8.391 6.733 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.179 11.771 3.514 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.039 10.612 7.524 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.267 12.308 5.915 1.00 0.00 H new ATOM 386 N TYR A 27 -19.855 6.220 1.098 1.00 0.00 N ATOM 387 CA TYR A 27 -19.916 5.018 0.275 1.00 0.00 C ATOM 388 C TYR A 27 -18.673 4.893 -0.600 1.00 0.00 C ATOM 389 O TYR A 27 -18.153 5.889 -1.104 1.00 0.00 O ATOM 390 CB TYR A 27 -21.170 5.036 -0.600 1.00 0.00 C ATOM 391 CG TYR A 27 -22.460 5.036 0.190 1.00 0.00 C ATOM 392 CD1 TYR A 27 -22.667 4.125 1.219 1.00 0.00 C ATOM 393 CD2 TYR A 27 -23.470 5.947 -0.093 1.00 0.00 C ATOM 394 CE1 TYR A 27 -23.844 4.121 1.942 1.00 0.00 C ATOM 395 CE2 TYR A 27 -24.650 5.951 0.626 1.00 0.00 C ATOM 396 CZ TYR A 27 -24.832 5.036 1.642 1.00 0.00 C ATOM 397 OH TYR A 27 -26.005 5.036 2.361 1.00 0.00 O ATOM 0 H TYR A 27 -19.717 7.084 0.573 1.00 0.00 H new ATOM 0 HA TYR A 27 -19.958 4.155 0.940 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -21.145 5.919 -1.238 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -21.156 4.167 -1.258 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -21.895 3.408 1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -23.331 6.664 -0.888 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -23.990 3.406 2.738 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -25.425 6.666 0.394 1.00 0.00 H new ATOM 0 HH TYR A 27 -26.362 5.948 2.404 1.00 0.00 H new ATOM 407 N ARG A 28 -18.202 3.663 -0.777 1.00 0.00 N ATOM 408 CA ARG A 28 -17.020 3.407 -1.591 1.00 0.00 C ATOM 409 C ARG A 28 -17.148 4.070 -2.959 1.00 0.00 C ATOM 410 O ARG A 28 -18.217 4.060 -3.568 1.00 0.00 O ATOM 411 CB ARG A 28 -16.808 1.902 -1.760 1.00 0.00 C ATOM 412 CG ARG A 28 -15.348 1.506 -1.914 1.00 0.00 C ATOM 413 CD ARG A 28 -14.680 1.308 -0.562 1.00 0.00 C ATOM 414 NE ARG A 28 -15.260 0.191 0.178 1.00 0.00 N ATOM 415 CZ ARG A 28 -14.618 -0.472 1.133 1.00 0.00 C ATOM 416 NH1 ARG A 28 -13.380 -0.130 1.463 1.00 0.00 N ATOM 417 NH2 ARG A 28 -15.213 -1.477 1.761 1.00 0.00 N ATOM 0 H ARG A 28 -18.621 2.828 -0.368 1.00 0.00 H new ATOM 0 HA ARG A 28 -16.157 3.834 -1.079 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -17.227 1.385 -0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -17.362 1.561 -2.635 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.279 0.586 -2.494 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.818 2.276 -2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.614 1.132 -0.707 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.775 2.221 0.026 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.211 -0.096 -0.051 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.919 0.643 0.983 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.888 -0.640 2.197 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.166 -1.742 1.511 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.718 -1.985 2.494 1.00 0.00 H new ATOM 431 N ALA A 29 -16.050 4.648 -3.436 1.00 0.00 N ATOM 432 CA ALA A 29 -16.039 5.314 -4.732 1.00 0.00 C ATOM 433 C ALA A 29 -14.614 5.496 -5.244 1.00 0.00 C ATOM 434 O ALA A 29 -13.659 5.023 -4.628 1.00 0.00 O ATOM 435 CB ALA A 29 -16.744 6.659 -4.640 1.00 0.00 C ATOM 0 H ALA A 29 -15.157 4.668 -2.944 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.574 4.683 -5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.728 7.146 -5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.777 6.508 -4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.233 7.289 -3.912 1.00 0.00 H new ATOM 441 N GLU A 30 -14.479 6.184 -6.374 1.00 0.00 N ATOM 442 CA GLU A 30 -13.169 6.426 -6.968 1.00 0.00 C ATOM 443 C GLU A 30 -13.131 7.782 -7.666 1.00 0.00 C ATOM 444 O GLU A 30 -14.013 8.109 -8.461 1.00 0.00 O ATOM 445 CB GLU A 30 -12.823 5.317 -7.964 1.00 0.00 C ATOM 446 CG GLU A 30 -11.357 5.293 -8.362 1.00 0.00 C ATOM 447 CD GLU A 30 -11.073 4.308 -9.480 1.00 0.00 C ATOM 448 OE1 GLU A 30 -11.822 4.312 -10.479 1.00 0.00 O ATOM 449 OE2 GLU A 30 -10.101 3.534 -9.355 1.00 0.00 O ATOM 0 H GLU A 30 -15.259 6.583 -6.896 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.430 6.428 -6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.089 4.354 -7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.432 5.441 -8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.053 6.291 -8.676 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.752 5.035 -7.493 1.00 0.00 H new ATOM 456 N VAL A 31 -12.103 8.569 -7.363 1.00 0.00 N ATOM 457 CA VAL A 31 -11.949 9.889 -7.961 1.00 0.00 C ATOM 458 C VAL A 31 -11.869 9.798 -9.481 1.00 0.00 C ATOM 459 O VAL A 31 -10.957 9.179 -10.028 1.00 0.00 O ATOM 460 CB VAL A 31 -10.688 10.601 -7.434 1.00 0.00 C ATOM 461 CG1 VAL A 31 -10.544 11.975 -8.071 1.00 0.00 C ATOM 462 CG2 VAL A 31 -10.733 10.709 -5.917 1.00 0.00 C ATOM 0 H VAL A 31 -11.365 8.315 -6.707 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.829 10.468 -7.680 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.816 10.008 -7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.648 12.462 -7.686 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.463 11.868 -9.153 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.418 12.581 -7.831 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.835 11.214 -5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.613 11.280 -5.619 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.784 9.711 -5.483 1.00 0.00 H new ATOM 472 N GLU A 32 -12.830 10.420 -10.157 1.00 0.00 N ATOM 473 CA GLU A 32 -12.868 10.409 -11.615 1.00 0.00 C ATOM 474 C GLU A 32 -12.090 11.589 -12.189 1.00 0.00 C ATOM 475 O GLU A 32 -11.101 11.408 -12.898 1.00 0.00 O ATOM 476 CB GLU A 32 -14.316 10.449 -12.109 1.00 0.00 C ATOM 477 CG GLU A 32 -14.524 9.747 -13.440 1.00 0.00 C ATOM 478 CD GLU A 32 -14.266 10.656 -14.626 1.00 0.00 C ATOM 479 OE1 GLU A 32 -15.167 11.447 -14.975 1.00 0.00 O ATOM 480 OE2 GLU A 32 -13.163 10.575 -15.206 1.00 0.00 O ATOM 0 H GLU A 32 -13.592 10.937 -9.719 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.399 9.487 -11.958 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -14.960 9.988 -11.360 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.631 11.488 -12.203 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.862 8.883 -13.498 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.545 9.370 -13.492 1.00 0.00 H new ATOM 487 N ALA A 33 -12.545 12.798 -11.876 1.00 0.00 N ATOM 488 CA ALA A 33 -11.891 14.009 -12.359 1.00 0.00 C ATOM 489 C ALA A 33 -12.136 15.179 -11.413 1.00 0.00 C ATOM 490 O ALA A 33 -13.261 15.404 -10.965 1.00 0.00 O ATOM 491 CB ALA A 33 -12.378 14.348 -13.760 1.00 0.00 C ATOM 0 H ALA A 33 -13.363 12.965 -11.291 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.817 13.824 -12.395 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.882 15.254 -14.108 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.146 13.524 -14.435 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.456 14.509 -13.742 1.00 0.00 H new ATOM 497 N LEU A 34 -11.077 15.922 -11.112 1.00 0.00 N ATOM 498 CA LEU A 34 -11.177 17.071 -10.218 1.00 0.00 C ATOM 499 C LEU A 34 -11.563 18.329 -10.989 1.00 0.00 C ATOM 500 O LEU A 34 -11.459 18.375 -12.215 1.00 0.00 O ATOM 501 CB LEU A 34 -9.849 17.292 -9.491 1.00 0.00 C ATOM 502 CG LEU A 34 -9.254 16.069 -8.792 1.00 0.00 C ATOM 503 CD1 LEU A 34 -7.740 16.187 -8.709 1.00 0.00 C ATOM 504 CD2 LEU A 34 -9.855 15.902 -7.405 1.00 0.00 C ATOM 0 H LEU A 34 -10.139 15.750 -11.474 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.956 16.864 -9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.121 17.663 -10.212 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.991 18.077 -8.748 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.498 15.184 -9.380 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.333 15.308 -8.209 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.325 16.257 -9.714 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.475 17.081 -8.144 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.420 15.027 -6.923 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.643 16.789 -6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.934 15.771 -7.489 1.00 0.00 H new ATOM 516 N HIS A 35 -12.009 19.348 -10.262 1.00 0.00 N ATOM 517 CA HIS A 35 -12.409 20.609 -10.877 1.00 0.00 C ATOM 518 C HIS A 35 -11.205 21.525 -11.072 1.00 0.00 C ATOM 519 O HIS A 35 -10.108 21.235 -10.593 1.00 0.00 O ATOM 520 CB HIS A 35 -13.463 21.308 -10.018 1.00 0.00 C ATOM 521 CG HIS A 35 -14.186 22.407 -10.734 1.00 0.00 C ATOM 522 ND1 HIS A 35 -14.581 23.575 -10.116 1.00 0.00 N ATOM 523 CD2 HIS A 35 -14.584 22.512 -12.023 1.00 0.00 C ATOM 524 CE1 HIS A 35 -15.192 24.350 -10.994 1.00 0.00 C ATOM 525 NE2 HIS A 35 -15.207 23.728 -12.160 1.00 0.00 N ATOM 0 H HIS A 35 -12.103 19.326 -9.247 1.00 0.00 H new ATOM 0 HA HIS A 35 -12.837 20.388 -11.855 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.188 20.570 -9.675 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.982 21.719 -9.130 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -14.439 21.776 -12.800 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.608 25.326 -10.793 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -15.615 24.092 -13.021 1.00 0.00 H new ATOM 534 N SER A 36 -11.416 22.631 -11.778 1.00 0.00 N ATOM 535 CA SER A 36 -10.346 23.587 -12.040 1.00 0.00 C ATOM 536 C SER A 36 -10.112 24.484 -10.829 1.00 0.00 C ATOM 537 O SER A 36 -8.999 24.564 -10.308 1.00 0.00 O ATOM 538 CB SER A 36 -10.685 24.440 -13.264 1.00 0.00 C ATOM 539 OG SER A 36 -10.357 23.762 -14.465 1.00 0.00 O ATOM 0 H SER A 36 -12.318 22.888 -12.179 1.00 0.00 H new ATOM 0 HA SER A 36 -9.432 23.028 -12.238 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.747 24.683 -13.259 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.142 25.384 -13.215 1.00 0.00 H new ATOM 0 HG SER A 36 -10.585 24.327 -15.232 1.00 0.00 H new ATOM 545 N SER A 37 -11.168 25.159 -10.387 1.00 0.00 N ATOM 546 CA SER A 37 -11.078 26.055 -9.240 1.00 0.00 C ATOM 547 C SER A 37 -10.546 25.317 -8.015 1.00 0.00 C ATOM 548 O SER A 37 -9.541 25.712 -7.426 1.00 0.00 O ATOM 549 CB SER A 37 -12.448 26.660 -8.930 1.00 0.00 C ATOM 550 OG SER A 37 -12.763 27.701 -9.839 1.00 0.00 O ATOM 0 H SER A 37 -12.096 25.102 -10.806 1.00 0.00 H new ATOM 0 HA SER A 37 -10.383 26.857 -9.490 1.00 0.00 H new ATOM 0 HB2 SER A 37 -13.212 25.884 -8.982 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.456 27.048 -7.911 1.00 0.00 H new ATOM 0 HG SER A 37 -13.644 28.070 -9.621 1.00 0.00 H new ATOM 556 N GLY A 38 -11.230 24.241 -7.637 1.00 0.00 N ATOM 557 CA GLY A 38 -10.813 23.464 -6.484 1.00 0.00 C ATOM 558 C GLY A 38 -11.867 23.430 -5.396 1.00 0.00 C ATOM 559 O GLY A 38 -11.626 23.878 -4.275 1.00 0.00 O ATOM 0 H GLY A 38 -12.065 23.894 -8.109 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.587 22.445 -6.799 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.892 23.884 -6.080 1.00 0.00 H new ATOM 563 N MET A 39 -13.039 22.898 -5.726 1.00 0.00 N ATOM 564 CA MET A 39 -14.134 22.809 -4.767 1.00 0.00 C ATOM 565 C MET A 39 -14.761 21.418 -4.786 1.00 0.00 C ATOM 566 O MET A 39 -14.752 20.708 -3.780 1.00 0.00 O ATOM 567 CB MET A 39 -15.198 23.865 -5.074 1.00 0.00 C ATOM 568 CG MET A 39 -14.841 25.252 -4.567 1.00 0.00 C ATOM 569 SD MET A 39 -16.272 26.344 -4.465 1.00 0.00 S ATOM 570 CE MET A 39 -16.305 26.695 -2.709 1.00 0.00 C ATOM 0 H MET A 39 -13.255 22.522 -6.649 1.00 0.00 H new ATOM 0 HA MET A 39 -13.728 22.992 -3.772 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.353 23.910 -6.152 1.00 0.00 H new ATOM 0 HB3 MET A 39 -16.144 23.556 -4.628 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.382 25.168 -3.582 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.097 25.696 -5.228 1.00 0.00 H new ATOM 0 HE1 MET A 39 -17.139 27.361 -2.487 1.00 0.00 H new ATOM 0 HE2 MET A 39 -16.426 25.765 -2.154 1.00 0.00 H new ATOM 0 HE3 MET A 39 -15.370 27.173 -2.416 1.00 0.00 H new ATOM 580 N THR A 40 -15.305 21.035 -5.936 1.00 0.00 N ATOM 581 CA THR A 40 -15.938 19.730 -6.086 1.00 0.00 C ATOM 582 C THR A 40 -15.169 18.856 -7.069 1.00 0.00 C ATOM 583 O THR A 40 -14.260 19.326 -7.753 1.00 0.00 O ATOM 584 CB THR A 40 -17.395 19.864 -6.566 1.00 0.00 C ATOM 585 OG1 THR A 40 -17.434 20.531 -7.833 1.00 0.00 O ATOM 586 CG2 THR A 40 -18.230 20.636 -5.555 1.00 0.00 C ATOM 0 H THR A 40 -15.320 21.610 -6.778 1.00 0.00 H new ATOM 0 HA THR A 40 -15.930 19.260 -5.103 1.00 0.00 H new ATOM 0 HB THR A 40 -17.813 18.863 -6.670 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.364 20.611 -8.132 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.255 20.718 -5.916 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.223 20.111 -4.600 1.00 0.00 H new ATOM 0 HG23 THR A 40 -17.811 21.634 -5.423 1.00 0.00 H new ATOM 594 N ALA A 41 -15.540 17.581 -7.136 1.00 0.00 N ATOM 595 CA ALA A 41 -14.886 16.642 -8.039 1.00 0.00 C ATOM 596 C ALA A 41 -15.811 15.480 -8.385 1.00 0.00 C ATOM 597 O ALA A 41 -16.552 14.988 -7.534 1.00 0.00 O ATOM 598 CB ALA A 41 -13.596 16.126 -7.419 1.00 0.00 C ATOM 0 H ALA A 41 -16.290 17.175 -6.576 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.647 17.169 -8.962 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.118 15.426 -8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.924 16.963 -7.228 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.821 15.619 -6.480 1.00 0.00 H new ATOM 604 N VAL A 42 -15.762 15.045 -9.640 1.00 0.00 N ATOM 605 CA VAL A 42 -16.595 13.940 -10.099 1.00 0.00 C ATOM 606 C VAL A 42 -16.064 12.604 -9.591 1.00 0.00 C ATOM 607 O VAL A 42 -15.020 12.129 -10.037 1.00 0.00 O ATOM 608 CB VAL A 42 -16.675 13.897 -11.636 1.00 0.00 C ATOM 609 CG1 VAL A 42 -17.527 12.724 -12.095 1.00 0.00 C ATOM 610 CG2 VAL A 42 -17.224 15.209 -12.177 1.00 0.00 C ATOM 0 H VAL A 42 -15.154 15.441 -10.357 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.594 14.108 -9.696 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.668 13.759 -12.031 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.571 12.711 -13.184 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.087 11.793 -11.738 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.535 12.826 -11.692 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.274 15.162 -13.265 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.223 15.379 -11.775 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.569 16.028 -11.879 1.00 0.00 H new ATOM 620 N VAL A 43 -16.792 12.001 -8.656 1.00 0.00 N ATOM 621 CA VAL A 43 -16.395 10.718 -8.088 1.00 0.00 C ATOM 622 C VAL A 43 -17.389 9.623 -8.458 1.00 0.00 C ATOM 623 O VAL A 43 -18.603 9.820 -8.388 1.00 0.00 O ATOM 624 CB VAL A 43 -16.279 10.795 -6.555 1.00 0.00 C ATOM 625 CG1 VAL A 43 -15.232 11.820 -6.149 1.00 0.00 C ATOM 626 CG2 VAL A 43 -17.629 11.124 -5.934 1.00 0.00 C ATOM 0 H VAL A 43 -17.659 12.380 -8.276 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.418 10.475 -8.506 1.00 0.00 H new ATOM 0 HB VAL A 43 -15.962 9.821 -6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.164 11.860 -5.062 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.264 11.535 -6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.515 12.801 -6.531 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.528 11.174 -4.850 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.978 12.085 -6.311 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.349 10.348 -6.196 1.00 0.00 H new ATOM 636 N LYS A 44 -16.868 8.466 -8.851 1.00 0.00 N ATOM 637 CA LYS A 44 -17.708 7.336 -9.230 1.00 0.00 C ATOM 638 C LYS A 44 -17.816 6.331 -8.088 1.00 0.00 C ATOM 639 O LYS A 44 -16.806 5.863 -7.562 1.00 0.00 O ATOM 640 CB LYS A 44 -17.144 6.650 -10.476 1.00 0.00 C ATOM 641 CG LYS A 44 -18.139 5.738 -11.172 1.00 0.00 C ATOM 642 CD LYS A 44 -17.488 4.963 -12.306 1.00 0.00 C ATOM 643 CE LYS A 44 -16.607 3.841 -11.780 1.00 0.00 C ATOM 644 NZ LYS A 44 -17.404 2.641 -11.401 1.00 0.00 N ATOM 0 H LYS A 44 -15.866 8.286 -8.915 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.705 7.715 -9.452 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.809 7.412 -11.180 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.266 6.068 -10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.562 5.040 -10.449 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.966 6.331 -11.563 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.260 4.548 -12.954 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.891 5.641 -12.915 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.876 3.566 -12.541 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.048 4.194 -10.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.791 1.801 -11.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.799 2.774 -10.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -18.179 2.510 -12.082 1.00 0.00 H new ATOM 658 N PHE A 45 -19.047 6.002 -7.711 1.00 0.00 N ATOM 659 CA PHE A 45 -19.287 5.051 -6.631 1.00 0.00 C ATOM 660 C PHE A 45 -18.976 3.627 -7.082 1.00 0.00 C ATOM 661 O PHE A 45 -18.774 3.368 -8.269 1.00 0.00 O ATOM 662 CB PHE A 45 -20.738 5.143 -6.156 1.00 0.00 C ATOM 663 CG PHE A 45 -21.013 6.343 -5.296 1.00 0.00 C ATOM 664 CD1 PHE A 45 -20.348 6.517 -4.093 1.00 0.00 C ATOM 665 CD2 PHE A 45 -21.937 7.297 -5.690 1.00 0.00 C ATOM 666 CE1 PHE A 45 -20.598 7.621 -3.299 1.00 0.00 C ATOM 667 CE2 PHE A 45 -22.191 8.403 -4.901 1.00 0.00 C ATOM 668 CZ PHE A 45 -21.522 8.564 -3.704 1.00 0.00 C ATOM 0 H PHE A 45 -19.894 6.379 -8.137 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.625 5.304 -5.803 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -21.395 5.171 -7.025 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -20.987 4.241 -5.597 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -19.626 5.781 -3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -22.465 7.175 -6.624 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -20.072 7.746 -2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.912 9.141 -5.221 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.721 9.426 -3.085 1.00 0.00 H new ATOM 678 N THR A 46 -18.940 2.704 -6.125 1.00 0.00 N ATOM 679 CA THR A 46 -18.652 1.307 -6.421 1.00 0.00 C ATOM 680 C THR A 46 -19.908 0.451 -6.306 1.00 0.00 C ATOM 681 O THR A 46 -20.135 -0.449 -7.115 1.00 0.00 O ATOM 682 CB THR A 46 -17.572 0.743 -5.479 1.00 0.00 C ATOM 683 OG1 THR A 46 -16.710 1.797 -5.036 1.00 0.00 O ATOM 684 CG2 THR A 46 -16.752 -0.331 -6.177 1.00 0.00 C ATOM 0 H THR A 46 -19.107 2.900 -5.138 1.00 0.00 H new ATOM 0 HA THR A 46 -18.283 1.271 -7.446 1.00 0.00 H new ATOM 0 HB THR A 46 -18.069 0.295 -4.619 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.938 1.414 -4.569 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.996 -0.714 -5.492 1.00 0.00 H new ATOM 0 HG22 THR A 46 -17.407 -1.145 -6.487 1.00 0.00 H new ATOM 0 HG23 THR A 46 -16.265 0.096 -7.054 1.00 0.00 H new ATOM 692 N ASP A 47 -20.723 0.736 -5.296 1.00 0.00 N ATOM 693 CA ASP A 47 -21.958 -0.007 -5.075 1.00 0.00 C ATOM 694 C ASP A 47 -22.662 -0.295 -6.398 1.00 0.00 C ATOM 695 O ASP A 47 -23.115 -1.413 -6.641 1.00 0.00 O ATOM 696 CB ASP A 47 -22.889 0.774 -4.147 1.00 0.00 C ATOM 697 CG ASP A 47 -23.850 -0.129 -3.399 1.00 0.00 C ATOM 698 OD1 ASP A 47 -23.398 -0.851 -2.486 1.00 0.00 O ATOM 699 OD2 ASP A 47 -25.056 -0.114 -3.726 1.00 0.00 O ATOM 0 H ASP A 47 -20.550 1.477 -4.617 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.703 -0.957 -4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -22.293 1.339 -3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -23.456 1.499 -4.731 1.00 0.00 H new ATOM 704 N TYR A 48 -22.752 0.722 -7.248 1.00 0.00 N ATOM 705 CA TYR A 48 -23.404 0.580 -8.544 1.00 0.00 C ATOM 706 C TYR A 48 -22.463 0.982 -9.675 1.00 0.00 C ATOM 707 O TYR A 48 -22.314 0.261 -10.661 1.00 0.00 O ATOM 708 CB TYR A 48 -24.674 1.431 -8.595 1.00 0.00 C ATOM 709 CG TYR A 48 -25.503 1.359 -7.333 1.00 0.00 C ATOM 710 CD1 TYR A 48 -26.387 0.309 -7.118 1.00 0.00 C ATOM 711 CD2 TYR A 48 -25.402 2.341 -6.355 1.00 0.00 C ATOM 712 CE1 TYR A 48 -27.147 0.239 -5.966 1.00 0.00 C ATOM 713 CE2 TYR A 48 -26.157 2.279 -5.200 1.00 0.00 C ATOM 714 CZ TYR A 48 -27.028 1.226 -5.010 1.00 0.00 C ATOM 715 OH TYR A 48 -27.782 1.162 -3.861 1.00 0.00 O ATOM 0 H TYR A 48 -22.381 1.654 -7.062 1.00 0.00 H new ATOM 0 HA TYR A 48 -23.671 -0.469 -8.675 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -24.398 2.469 -8.780 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -25.284 1.108 -9.439 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -26.482 -0.466 -7.864 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -24.721 3.167 -6.500 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -27.830 -0.584 -5.815 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -26.066 3.051 -4.450 1.00 0.00 H new ATOM 0 HH TYR A 48 -27.578 1.933 -3.292 1.00 0.00 H new ATOM 725 N GLY A 49 -21.828 2.141 -9.524 1.00 0.00 N ATOM 726 CA GLY A 49 -20.908 2.620 -10.538 1.00 0.00 C ATOM 727 C GLY A 49 -21.402 3.881 -11.219 1.00 0.00 C ATOM 728 O GLY A 49 -21.236 4.047 -12.427 1.00 0.00 O ATOM 0 H GLY A 49 -21.935 2.756 -8.717 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -19.937 2.814 -10.081 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.759 1.841 -11.286 1.00 0.00 H new ATOM 732 N ASN A 50 -22.012 4.771 -10.444 1.00 0.00 N ATOM 733 CA ASN A 50 -22.535 6.022 -10.980 1.00 0.00 C ATOM 734 C ASN A 50 -21.734 7.213 -10.462 1.00 0.00 C ATOM 735 O ASN A 50 -21.263 7.210 -9.324 1.00 0.00 O ATOM 736 CB ASN A 50 -24.010 6.184 -10.608 1.00 0.00 C ATOM 737 CG ASN A 50 -24.283 5.829 -9.159 1.00 0.00 C ATOM 738 OD1 ASN A 50 -24.779 4.743 -8.858 1.00 0.00 O ATOM 739 ND2 ASN A 50 -23.961 6.745 -8.254 1.00 0.00 N ATOM 0 H ASN A 50 -22.156 4.649 -9.442 1.00 0.00 H new ATOM 0 HA ASN A 50 -22.443 5.990 -12.066 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -24.317 7.214 -10.791 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -24.617 5.551 -11.255 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -24.123 6.562 -7.264 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -23.552 7.632 -8.549 1.00 0.00 H new ATOM 746 N TYR A 51 -21.584 8.229 -11.303 1.00 0.00 N ATOM 747 CA TYR A 51 -20.839 9.426 -10.932 1.00 0.00 C ATOM 748 C TYR A 51 -21.714 10.386 -10.132 1.00 0.00 C ATOM 749 O TYR A 51 -22.926 10.453 -10.335 1.00 0.00 O ATOM 750 CB TYR A 51 -20.302 10.127 -12.181 1.00 0.00 C ATOM 751 CG TYR A 51 -19.484 9.225 -13.077 1.00 0.00 C ATOM 752 CD1 TYR A 51 -18.237 8.761 -12.676 1.00 0.00 C ATOM 753 CD2 TYR A 51 -19.958 8.837 -14.324 1.00 0.00 C ATOM 754 CE1 TYR A 51 -17.485 7.938 -13.492 1.00 0.00 C ATOM 755 CE2 TYR A 51 -19.213 8.013 -15.146 1.00 0.00 C ATOM 756 CZ TYR A 51 -17.978 7.566 -14.726 1.00 0.00 C ATOM 757 OH TYR A 51 -17.233 6.745 -15.541 1.00 0.00 O ATOM 0 H TYR A 51 -21.969 8.248 -12.247 1.00 0.00 H new ATOM 0 HA TYR A 51 -20.000 9.121 -10.307 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -21.140 10.528 -12.751 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.689 10.975 -11.876 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -17.849 9.049 -11.710 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -20.925 9.185 -14.656 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -16.517 7.588 -13.166 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -19.596 7.721 -16.113 1.00 0.00 H new ATOM 0 HH TYR A 51 -17.723 6.578 -16.373 1.00 0.00 H new ATOM 767 N GLU A 52 -21.090 11.128 -9.223 1.00 0.00 N ATOM 768 CA GLU A 52 -21.811 12.085 -8.392 1.00 0.00 C ATOM 769 C GLU A 52 -20.904 13.240 -7.979 1.00 0.00 C ATOM 770 O GLU A 52 -19.790 13.027 -7.501 1.00 0.00 O ATOM 771 CB GLU A 52 -22.372 11.393 -7.148 1.00 0.00 C ATOM 772 CG GLU A 52 -23.769 10.827 -7.344 1.00 0.00 C ATOM 773 CD GLU A 52 -24.723 11.830 -7.964 1.00 0.00 C ATOM 774 OE1 GLU A 52 -24.547 13.043 -7.723 1.00 0.00 O ATOM 775 OE2 GLU A 52 -25.645 11.402 -8.689 1.00 0.00 O ATOM 0 H GLU A 52 -20.087 11.085 -9.043 1.00 0.00 H new ATOM 0 HA GLU A 52 -22.637 12.487 -8.979 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.700 10.586 -6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.390 12.105 -6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -23.713 9.943 -7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -24.164 10.503 -6.381 1.00 0.00 H new ATOM 782 N GLU A 53 -21.389 14.463 -8.168 1.00 0.00 N ATOM 783 CA GLU A 53 -20.621 15.652 -7.816 1.00 0.00 C ATOM 784 C GLU A 53 -20.577 15.843 -6.303 1.00 0.00 C ATOM 785 O GLU A 53 -21.516 16.368 -5.705 1.00 0.00 O ATOM 786 CB GLU A 53 -21.225 16.891 -8.480 1.00 0.00 C ATOM 787 CG GLU A 53 -20.372 18.139 -8.329 1.00 0.00 C ATOM 788 CD GLU A 53 -20.831 19.272 -9.226 1.00 0.00 C ATOM 789 OE1 GLU A 53 -21.679 20.074 -8.783 1.00 0.00 O ATOM 790 OE2 GLU A 53 -20.341 19.356 -10.372 1.00 0.00 O ATOM 0 H GLU A 53 -22.309 14.657 -8.563 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.602 15.515 -8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.373 16.689 -9.541 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.209 17.080 -8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.399 18.469 -7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -19.335 17.896 -8.559 1.00 0.00 H new ATOM 797 N VAL A 54 -19.479 15.412 -5.690 1.00 0.00 N ATOM 798 CA VAL A 54 -19.311 15.536 -4.247 1.00 0.00 C ATOM 799 C VAL A 54 -18.154 16.468 -3.906 1.00 0.00 C ATOM 800 O VAL A 54 -17.160 16.534 -4.632 1.00 0.00 O ATOM 801 CB VAL A 54 -19.061 14.165 -3.592 1.00 0.00 C ATOM 802 CG1 VAL A 54 -19.333 14.230 -2.096 1.00 0.00 C ATOM 803 CG2 VAL A 54 -19.917 13.095 -4.252 1.00 0.00 C ATOM 0 H VAL A 54 -18.693 14.974 -6.170 1.00 0.00 H new ATOM 0 HA VAL A 54 -20.238 15.955 -3.855 1.00 0.00 H new ATOM 0 HB VAL A 54 -18.014 13.899 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -19.151 13.252 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -18.673 14.966 -1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -20.370 14.518 -1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -19.727 12.133 -3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -20.970 13.353 -4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -19.668 13.032 -5.311 1.00 0.00 H new ATOM 813 N LEU A 55 -18.288 17.188 -2.798 1.00 0.00 N ATOM 814 CA LEU A 55 -17.253 18.118 -2.360 1.00 0.00 C ATOM 815 C LEU A 55 -16.029 17.368 -1.845 1.00 0.00 C ATOM 816 O LEU A 55 -16.152 16.397 -1.096 1.00 0.00 O ATOM 817 CB LEU A 55 -17.797 19.040 -1.267 1.00 0.00 C ATOM 818 CG LEU A 55 -18.537 20.288 -1.749 1.00 0.00 C ATOM 819 CD1 LEU A 55 -19.602 20.699 -0.744 1.00 0.00 C ATOM 820 CD2 LEU A 55 -17.559 21.429 -1.988 1.00 0.00 C ATOM 0 H LEU A 55 -19.103 17.146 -2.186 1.00 0.00 H new ATOM 0 HA LEU A 55 -16.953 18.719 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.472 18.463 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.964 19.356 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 55 -19.029 20.053 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -20.118 21.589 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.320 19.888 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -19.133 20.915 0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -18.103 22.309 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.039 21.663 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.833 21.133 -2.746 1.00 0.00 H new ATOM 832 N LEU A 56 -14.849 17.824 -2.249 1.00 0.00 N ATOM 833 CA LEU A 56 -13.601 17.197 -1.826 1.00 0.00 C ATOM 834 C LEU A 56 -13.528 17.100 -0.306 1.00 0.00 C ATOM 835 O LEU A 56 -12.980 16.141 0.239 1.00 0.00 O ATOM 836 CB LEU A 56 -12.404 17.989 -2.356 1.00 0.00 C ATOM 837 CG LEU A 56 -12.407 18.285 -3.857 1.00 0.00 C ATOM 838 CD1 LEU A 56 -11.532 19.490 -4.164 1.00 0.00 C ATOM 839 CD2 LEU A 56 -11.938 17.069 -4.642 1.00 0.00 C ATOM 0 H LEU A 56 -14.730 18.625 -2.869 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.572 16.188 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.354 18.936 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.494 17.438 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.428 18.516 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.546 19.686 -5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.913 20.361 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.509 19.288 -3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.947 17.298 -5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.925 16.806 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.605 16.230 -4.446 1.00 0.00 H new ATOM 851 N SER A 57 -14.085 18.097 0.373 1.00 0.00 N ATOM 852 CA SER A 57 -14.082 18.125 1.831 1.00 0.00 C ATOM 853 C SER A 57 -14.939 16.997 2.398 1.00 0.00 C ATOM 854 O SER A 57 -14.803 16.625 3.563 1.00 0.00 O ATOM 855 CB SER A 57 -14.594 19.475 2.338 1.00 0.00 C ATOM 856 OG SER A 57 -14.148 19.726 3.659 1.00 0.00 O ATOM 0 H SER A 57 -14.544 18.897 -0.063 1.00 0.00 H new ATOM 0 HA SER A 57 -13.056 17.984 2.170 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.249 20.270 1.677 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.684 19.488 2.310 1.00 0.00 H new ATOM 0 HG SER A 57 -14.487 20.595 3.959 1.00 0.00 H new ATOM 862 N ASN A 58 -15.823 16.458 1.565 1.00 0.00 N ATOM 863 CA ASN A 58 -16.704 15.373 1.982 1.00 0.00 C ATOM 864 C ASN A 58 -16.226 14.038 1.419 1.00 0.00 C ATOM 865 O ASN A 58 -17.029 13.142 1.154 1.00 0.00 O ATOM 866 CB ASN A 58 -18.138 15.648 1.525 1.00 0.00 C ATOM 867 CG ASN A 58 -18.675 16.960 2.065 1.00 0.00 C ATOM 868 OD1 ASN A 58 -18.185 17.478 3.069 1.00 0.00 O ATOM 869 ND2 ASN A 58 -19.686 17.504 1.398 1.00 0.00 N ATOM 0 H ASN A 58 -15.948 16.755 0.597 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.681 15.318 3.070 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.172 15.665 0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.783 14.832 1.851 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.088 18.387 1.713 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.060 17.039 0.571 1.00 0.00 H new ATOM 876 N ILE A 59 -14.916 13.912 1.239 1.00 0.00 N ATOM 877 CA ILE A 59 -14.332 12.686 0.710 1.00 0.00 C ATOM 878 C ILE A 59 -13.269 12.132 1.652 1.00 0.00 C ATOM 879 O ILE A 59 -12.374 12.855 2.090 1.00 0.00 O ATOM 880 CB ILE A 59 -13.703 12.916 -0.677 1.00 0.00 C ATOM 881 CG1 ILE A 59 -14.598 13.824 -1.523 1.00 0.00 C ATOM 882 CG2 ILE A 59 -13.473 11.586 -1.381 1.00 0.00 C ATOM 883 CD1 ILE A 59 -14.134 13.966 -2.955 1.00 0.00 C ATOM 0 H ILE A 59 -14.239 14.644 1.452 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.143 11.964 0.618 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.739 13.408 -0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -15.613 13.428 -1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -14.638 14.811 -1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -13.028 11.765 -2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.801 10.970 -0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -14.425 11.070 -1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -14.816 14.623 -3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -13.130 14.391 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.121 12.986 -3.432 1.00 0.00 H new ATOM 895 N LYS A 60 -13.371 10.843 1.959 1.00 0.00 N ATOM 896 CA LYS A 60 -12.418 10.189 2.847 1.00 0.00 C ATOM 897 C LYS A 60 -11.481 9.277 2.061 1.00 0.00 C ATOM 898 O LYS A 60 -11.893 8.560 1.150 1.00 0.00 O ATOM 899 CB LYS A 60 -13.156 9.381 3.916 1.00 0.00 C ATOM 900 CG LYS A 60 -14.468 10.008 4.355 1.00 0.00 C ATOM 901 CD LYS A 60 -14.248 11.078 5.412 1.00 0.00 C ATOM 902 CE LYS A 60 -14.045 12.448 4.784 1.00 0.00 C ATOM 903 NZ LYS A 60 -13.651 13.468 5.795 1.00 0.00 N ATOM 0 H LYS A 60 -14.106 10.230 1.605 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.822 10.962 3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.352 8.380 3.532 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.508 9.268 4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.970 10.445 3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.128 9.235 4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.105 11.108 6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.378 10.821 6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.276 12.384 4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.965 12.762 4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.522 14.388 5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.396 13.547 6.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.760 13.182 6.248 1.00 0.00 H new ATOM 917 N PRO A 61 -10.189 9.303 2.422 1.00 0.00 N ATOM 918 CA PRO A 61 -9.167 8.482 1.765 1.00 0.00 C ATOM 919 C PRO A 61 -9.327 6.998 2.077 1.00 0.00 C ATOM 920 O PRO A 61 -9.296 6.590 3.238 1.00 0.00 O ATOM 921 CB PRO A 61 -7.856 9.013 2.349 1.00 0.00 C ATOM 922 CG PRO A 61 -8.235 9.589 3.670 1.00 0.00 C ATOM 923 CD PRO A 61 -9.626 10.134 3.500 1.00 0.00 C ATOM 0 HA PRO A 61 -9.225 8.552 0.679 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.121 8.216 2.461 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.411 9.768 1.701 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.207 8.828 4.450 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.541 10.376 3.966 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.206 10.048 4.419 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.614 11.190 3.229 1.00 0.00 H new ATOM 931 N VAL A 62 -9.497 6.193 1.032 1.00 0.00 N ATOM 932 CA VAL A 62 -9.660 4.754 1.195 1.00 0.00 C ATOM 933 C VAL A 62 -8.309 4.046 1.211 1.00 0.00 C ATOM 934 O VAL A 62 -7.427 4.355 0.410 1.00 0.00 O ATOM 935 CB VAL A 62 -10.527 4.156 0.071 1.00 0.00 C ATOM 936 CG1 VAL A 62 -10.647 2.649 0.233 1.00 0.00 C ATOM 937 CG2 VAL A 62 -11.900 4.810 0.054 1.00 0.00 C ATOM 0 H VAL A 62 -9.525 6.514 0.064 1.00 0.00 H new ATOM 0 HA VAL A 62 -10.160 4.599 2.151 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.042 4.356 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.263 2.245 -0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.655 2.199 0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.109 2.422 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -12.500 4.376 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.395 4.642 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.791 5.881 -0.115 1.00 0.00 H new