USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 684 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.164 USER MOD Single : A 26 ASN : amide:sc= -0.0684 K(o=-0.068,f=-1.8!) USER MOD Single : A 27 SER OG : rot 101:sc= 0.763 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -9.84! C(o=-9.8!,f=-12!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0154 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -80:sc= 0.0158 USER MOD Single : A 77 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.14) USER MOD Single : A 85 ASN : amide:sc= 0.0922 K(o=0.092,f=-1.9!) USER MOD Single : A 86 GLN : amide:sc= -0.816 K(o=-0.82,f=-1.9!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -152:sc=-0.00837 (180deg=-0.354) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 144:sc= 0.773 USER MOD Single : A 104 LYS NZ :NH3+ 155:sc= -0.0148 (180deg=-0.687) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 117 N PRO A 12 6.825 15.636 4.144 1.00 0.00 N ATOM 118 CA PRO A 12 5.922 14.663 3.523 1.00 0.00 C ATOM 119 C PRO A 12 5.490 13.570 4.494 1.00 0.00 C ATOM 120 O PRO A 12 6.324 12.947 5.153 1.00 0.00 O ATOM 121 CB PRO A 12 6.764 14.070 2.390 1.00 0.00 C ATOM 122 CG PRO A 12 8.175 14.255 2.831 1.00 0.00 C ATOM 123 CD PRO A 12 8.198 15.534 3.622 1.00 0.00 C ATOM 0 HA PRO A 12 4.994 15.126 3.186 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.533 13.016 2.234 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.574 14.581 1.446 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.507 13.414 3.440 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.847 14.314 1.975 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.932 15.496 4.427 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.455 16.389 2.997 1.00 0.00 H new ATOM 131 N ARG A 13 4.184 13.340 4.578 1.00 0.00 N ATOM 132 CA ARG A 13 3.643 12.322 5.470 1.00 0.00 C ATOM 133 C ARG A 13 2.671 11.410 4.727 1.00 0.00 C ATOM 134 O ARG A 13 1.822 11.877 3.967 1.00 0.00 O ATOM 135 CB ARG A 13 2.937 12.978 6.658 1.00 0.00 C ATOM 136 CG ARG A 13 3.878 13.722 7.591 1.00 0.00 C ATOM 137 CD ARG A 13 4.625 12.766 8.507 1.00 0.00 C ATOM 138 NE ARG A 13 5.846 13.363 9.043 1.00 0.00 N ATOM 139 CZ ARG A 13 6.590 12.794 9.985 1.00 0.00 C ATOM 140 NH1 ARG A 13 6.241 11.619 10.491 1.00 0.00 N ATOM 141 NH2 ARG A 13 7.687 13.400 10.421 1.00 0.00 N ATOM 0 H ARG A 13 3.481 13.845 4.039 1.00 0.00 H new ATOM 0 HA ARG A 13 4.473 11.718 5.838 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.185 13.673 6.284 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.409 12.211 7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.593 14.299 7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.310 14.433 8.191 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.975 12.470 9.330 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.876 11.859 7.957 1.00 0.00 H new ATOM 0 HE ARG A 13 6.143 14.266 8.674 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.399 11.150 10.157 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.814 11.185 11.214 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.959 14.303 10.033 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.258 12.963 11.144 1.00 0.00 H new ATOM 155 N PHE A 14 2.801 10.107 4.951 1.00 0.00 N ATOM 156 CA PHE A 14 1.936 9.129 4.302 1.00 0.00 C ATOM 157 C PHE A 14 0.571 9.074 4.983 1.00 0.00 C ATOM 158 O PHE A 14 0.394 9.595 6.083 1.00 0.00 O ATOM 159 CB PHE A 14 2.587 7.744 4.328 1.00 0.00 C ATOM 160 CG PHE A 14 3.706 7.589 3.338 1.00 0.00 C ATOM 161 CD1 PHE A 14 3.459 7.663 1.977 1.00 0.00 C ATOM 162 CD2 PHE A 14 5.004 7.371 3.769 1.00 0.00 C ATOM 163 CE1 PHE A 14 4.487 7.520 1.064 1.00 0.00 C ATOM 164 CE2 PHE A 14 6.037 7.228 2.861 1.00 0.00 C ATOM 165 CZ PHE A 14 5.777 7.304 1.506 1.00 0.00 C ATOM 0 H PHE A 14 3.498 9.704 5.577 1.00 0.00 H new ATOM 0 HA PHE A 14 1.794 9.437 3.266 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.970 7.550 5.330 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.826 6.990 4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.452 7.834 1.625 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.212 7.312 4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.281 7.577 0.005 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.045 7.057 3.210 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.582 7.195 0.794 1.00 0.00 H new ATOM 175 N GLU A 15 -0.390 8.440 4.318 1.00 0.00 N ATOM 176 CA GLU A 15 -1.739 8.319 4.857 1.00 0.00 C ATOM 177 C GLU A 15 -1.759 7.390 6.068 1.00 0.00 C ATOM 178 O GLU A 15 -2.306 7.730 7.117 1.00 0.00 O ATOM 179 CB GLU A 15 -2.697 7.798 3.784 1.00 0.00 C ATOM 180 CG GLU A 15 -3.294 8.893 2.917 1.00 0.00 C ATOM 181 CD GLU A 15 -4.600 9.429 3.470 1.00 0.00 C ATOM 182 OE1 GLU A 15 -4.745 9.470 4.710 1.00 0.00 O ATOM 183 OE2 GLU A 15 -5.476 9.806 2.665 1.00 0.00 O ATOM 0 H GLU A 15 -0.259 8.003 3.406 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.066 9.309 5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.166 7.091 3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.505 7.247 4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.579 9.711 2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.461 8.505 1.912 1.00 0.00 H new ATOM 190 N LYS A 16 -1.160 6.214 5.914 1.00 0.00 N ATOM 191 CA LYS A 16 -1.107 5.235 6.992 1.00 0.00 C ATOM 192 C LYS A 16 0.334 4.970 7.417 1.00 0.00 C ATOM 193 O LYS A 16 1.211 4.766 6.578 1.00 0.00 O ATOM 194 CB LYS A 16 -1.769 3.926 6.553 1.00 0.00 C ATOM 195 CG LYS A 16 -3.151 4.115 5.953 1.00 0.00 C ATOM 196 CD LYS A 16 -3.566 2.915 5.119 1.00 0.00 C ATOM 197 CE LYS A 16 -3.146 3.075 3.666 1.00 0.00 C ATOM 198 NZ LYS A 16 -4.142 3.859 2.884 1.00 0.00 N ATOM 0 H LYS A 16 -0.704 5.916 5.052 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.650 5.642 7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.129 3.432 5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.843 3.260 7.413 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.877 4.273 6.751 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.160 5.011 5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.117 2.011 5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.647 2.788 5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.177 3.571 3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.022 2.091 3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.819 3.946 1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.061 3.373 2.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.242 4.807 3.300 1.00 0.00 H new ATOM 212 N SER A 17 0.570 4.975 8.725 1.00 0.00 N ATOM 213 CA SER A 17 1.905 4.738 9.262 1.00 0.00 C ATOM 214 C SER A 17 2.469 3.415 8.752 1.00 0.00 C ATOM 215 O SER A 17 3.646 3.321 8.404 1.00 0.00 O ATOM 216 CB SER A 17 1.871 4.735 10.791 1.00 0.00 C ATOM 217 OG SER A 17 3.181 4.739 11.331 1.00 0.00 O ATOM 0 H SER A 17 -0.146 5.141 9.432 1.00 0.00 H new ATOM 0 HA SER A 17 2.554 5.545 8.922 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.325 5.608 11.147 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.332 3.856 11.144 1.00 0.00 H new ATOM 0 HG SER A 17 3.131 4.739 12.310 1.00 0.00 H new ATOM 223 N VAL A 18 1.618 2.394 8.711 1.00 0.00 N ATOM 224 CA VAL A 18 2.029 1.075 8.243 1.00 0.00 C ATOM 225 C VAL A 18 1.054 0.532 7.205 1.00 0.00 C ATOM 226 O VAL A 18 0.024 -0.049 7.549 1.00 0.00 O ATOM 227 CB VAL A 18 2.133 0.073 9.408 1.00 0.00 C ATOM 228 CG1 VAL A 18 2.535 -1.302 8.896 1.00 0.00 C ATOM 229 CG2 VAL A 18 3.120 0.572 10.452 1.00 0.00 C ATOM 0 H VAL A 18 0.641 2.455 8.996 1.00 0.00 H new ATOM 0 HA VAL A 18 3.012 1.193 7.787 1.00 0.00 H new ATOM 0 HB VAL A 18 1.154 -0.014 9.879 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.603 -1.996 9.733 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.787 -1.660 8.188 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.503 -1.237 8.399 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.181 -0.148 11.268 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.103 0.689 9.997 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.784 1.533 10.841 1.00 0.00 H new ATOM 239 N TYR A 19 1.384 0.724 5.933 1.00 0.00 N ATOM 240 CA TYR A 19 0.536 0.255 4.843 1.00 0.00 C ATOM 241 C TYR A 19 0.414 -1.266 4.864 1.00 0.00 C ATOM 242 O TYR A 19 1.349 -1.978 4.500 1.00 0.00 O ATOM 243 CB TYR A 19 1.098 0.715 3.497 1.00 0.00 C ATOM 244 CG TYR A 19 0.757 2.147 3.156 1.00 0.00 C ATOM 245 CD1 TYR A 19 1.009 3.176 4.055 1.00 0.00 C ATOM 246 CD2 TYR A 19 0.183 2.473 1.933 1.00 0.00 C ATOM 247 CE1 TYR A 19 0.698 4.486 3.747 1.00 0.00 C ATOM 248 CE2 TYR A 19 -0.130 3.780 1.616 1.00 0.00 C ATOM 249 CZ TYR A 19 0.129 4.783 2.527 1.00 0.00 C ATOM 250 OH TYR A 19 -0.181 6.088 2.216 1.00 0.00 O ATOM 0 H TYR A 19 2.233 1.201 5.631 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.457 0.683 4.979 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.182 0.601 3.507 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.717 0.063 2.712 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.456 2.948 5.011 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.022 1.690 1.218 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.900 5.273 4.458 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.575 4.016 0.661 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.574 6.126 1.319 1.00 0.00 H new ATOM 260 N GLU A 20 -0.745 -1.754 5.293 1.00 0.00 N ATOM 261 CA GLU A 20 -0.990 -3.190 5.361 1.00 0.00 C ATOM 262 C GLU A 20 -1.954 -3.630 4.263 1.00 0.00 C ATOM 263 O GLU A 20 -3.151 -3.353 4.325 1.00 0.00 O ATOM 264 CB GLU A 20 -1.554 -3.569 6.732 1.00 0.00 C ATOM 265 CG GLU A 20 -1.320 -5.023 7.106 1.00 0.00 C ATOM 266 CD GLU A 20 -1.283 -5.241 8.606 1.00 0.00 C ATOM 267 OE1 GLU A 20 -2.362 -5.240 9.234 1.00 0.00 O ATOM 268 OE2 GLU A 20 -0.173 -5.413 9.153 1.00 0.00 O ATOM 0 H GLU A 20 -1.529 -1.177 5.599 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.039 -3.702 5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.102 -2.930 7.491 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.625 -3.368 6.743 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.109 -5.637 6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.379 -5.359 6.670 1.00 0.00 H new ATOM 275 N ALA A 21 -1.422 -4.319 3.258 1.00 0.00 N ATOM 276 CA ALA A 21 -2.234 -4.799 2.147 1.00 0.00 C ATOM 277 C ALA A 21 -2.148 -6.316 2.020 1.00 0.00 C ATOM 278 O ALA A 21 -1.136 -6.922 2.374 1.00 0.00 O ATOM 279 CB ALA A 21 -1.800 -4.133 0.850 1.00 0.00 C ATOM 0 H ALA A 21 -0.432 -4.557 3.191 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.273 -4.536 2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.415 -4.501 0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.920 -3.053 0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.754 -4.367 0.653 1.00 0.00 H new ATOM 285 N ASP A 22 -3.215 -6.924 1.513 1.00 0.00 N ATOM 286 CA ASP A 22 -3.259 -8.371 1.339 1.00 0.00 C ATOM 287 C ASP A 22 -2.895 -8.758 -0.091 1.00 0.00 C ATOM 288 O ASP A 22 -3.723 -8.674 -0.998 1.00 0.00 O ATOM 289 CB ASP A 22 -4.650 -8.906 1.687 1.00 0.00 C ATOM 290 CG ASP A 22 -5.734 -8.310 0.812 1.00 0.00 C ATOM 291 OD1 ASP A 22 -5.557 -7.166 0.343 1.00 0.00 O ATOM 292 OD2 ASP A 22 -6.760 -8.987 0.595 1.00 0.00 O ATOM 0 H ASP A 22 -4.061 -6.437 1.215 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.528 -8.816 2.014 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.656 -9.991 1.580 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.869 -8.687 2.732 1.00 0.00 H new ATOM 297 N LEU A 23 -1.651 -9.182 -0.285 1.00 0.00 N ATOM 298 CA LEU A 23 -1.176 -9.581 -1.605 1.00 0.00 C ATOM 299 C LEU A 23 -1.318 -11.086 -1.803 1.00 0.00 C ATOM 300 O LEU A 23 -0.770 -11.878 -1.037 1.00 0.00 O ATOM 301 CB LEU A 23 0.285 -9.167 -1.790 1.00 0.00 C ATOM 302 CG LEU A 23 0.771 -9.046 -3.235 1.00 0.00 C ATOM 303 CD1 LEU A 23 1.172 -10.408 -3.779 1.00 0.00 C ATOM 304 CD2 LEU A 23 -0.304 -8.416 -4.108 1.00 0.00 C ATOM 0 H LEU A 23 -0.953 -9.258 0.455 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.788 -9.075 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.435 -8.207 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.915 -9.892 -1.275 1.00 0.00 H new ATOM 0 HG LEU A 23 1.648 -8.399 -3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.515 -10.302 -4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.976 -10.821 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.313 -11.079 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.059 -8.338 -5.133 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.200 -9.037 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.543 -7.422 -3.731 1.00 0.00 H new ATOM 316 N ALA A 24 -2.057 -11.475 -2.837 1.00 0.00 N ATOM 317 CA ALA A 24 -2.268 -12.885 -3.138 1.00 0.00 C ATOM 318 C ALA A 24 -0.985 -13.537 -3.642 1.00 0.00 C ATOM 319 O ALA A 24 -0.387 -13.079 -4.615 1.00 0.00 O ATOM 320 CB ALA A 24 -3.381 -13.045 -4.163 1.00 0.00 C ATOM 0 H ALA A 24 -2.520 -10.833 -3.480 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.562 -13.387 -2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.528 -14.103 -4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.305 -12.624 -3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.109 -12.522 -5.080 1.00 0.00 H new ATOM 326 N GLU A 25 -0.568 -14.607 -2.973 1.00 0.00 N ATOM 327 CA GLU A 25 0.646 -15.320 -3.353 1.00 0.00 C ATOM 328 C GLU A 25 0.626 -15.676 -4.837 1.00 0.00 C ATOM 329 O GLU A 25 1.658 -15.652 -5.506 1.00 0.00 O ATOM 330 CB GLU A 25 0.803 -16.590 -2.514 1.00 0.00 C ATOM 331 CG GLU A 25 -0.330 -17.585 -2.700 1.00 0.00 C ATOM 332 CD GLU A 25 0.022 -18.971 -2.194 1.00 0.00 C ATOM 333 OE1 GLU A 25 0.983 -19.568 -2.723 1.00 0.00 O ATOM 334 OE2 GLU A 25 -0.664 -19.458 -1.272 1.00 0.00 O ATOM 0 H GLU A 25 -1.053 -14.999 -2.166 1.00 0.00 H new ATOM 0 HA GLU A 25 1.496 -14.663 -3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.745 -17.072 -2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.865 -16.315 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.215 -17.225 -2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.588 -17.643 -3.757 1.00 0.00 H new ATOM 341 N ASN A 26 -0.558 -16.008 -5.343 1.00 0.00 N ATOM 342 CA ASN A 26 -0.714 -16.371 -6.747 1.00 0.00 C ATOM 343 C ASN A 26 -0.447 -15.172 -7.652 1.00 0.00 C ATOM 344 O ASN A 26 -0.123 -15.329 -8.829 1.00 0.00 O ATOM 345 CB ASN A 26 -2.122 -16.913 -7.002 1.00 0.00 C ATOM 346 CG ASN A 26 -2.287 -18.341 -6.520 1.00 0.00 C ATOM 347 OD1 ASN A 26 -1.307 -19.029 -6.234 1.00 0.00 O ATOM 348 ND2 ASN A 26 -3.532 -18.794 -6.429 1.00 0.00 N ATOM 0 H ASN A 26 -1.422 -16.033 -4.802 1.00 0.00 H new ATOM 0 HA ASN A 26 0.015 -17.148 -6.979 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.850 -16.276 -6.500 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.339 -16.865 -8.069 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.706 -19.748 -6.111 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.314 -18.188 -6.677 1.00 0.00 H new ATOM 355 N SER A 27 -0.584 -13.973 -7.093 1.00 0.00 N ATOM 356 CA SER A 27 -0.361 -12.747 -7.850 1.00 0.00 C ATOM 357 C SER A 27 0.819 -12.904 -8.804 1.00 0.00 C ATOM 358 O SER A 27 1.949 -13.138 -8.376 1.00 0.00 O ATOM 359 CB SER A 27 -0.111 -11.575 -6.899 1.00 0.00 C ATOM 360 OG SER A 27 -1.297 -11.213 -6.212 1.00 0.00 O ATOM 0 H SER A 27 -0.848 -13.825 -6.119 1.00 0.00 H new ATOM 0 HA SER A 27 -1.256 -12.544 -8.438 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.662 -11.845 -6.179 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.263 -10.719 -7.462 1.00 0.00 H new ATOM 0 HG SER A 27 -1.276 -11.585 -5.305 1.00 0.00 H new ATOM 366 N ALA A 28 0.547 -12.774 -10.098 1.00 0.00 N ATOM 367 CA ALA A 28 1.586 -12.900 -11.113 1.00 0.00 C ATOM 368 C ALA A 28 2.563 -11.730 -11.046 1.00 0.00 C ATOM 369 O ALA A 28 2.301 -10.708 -10.413 1.00 0.00 O ATOM 370 CB ALA A 28 0.962 -12.991 -12.498 1.00 0.00 C ATOM 0 H ALA A 28 -0.384 -12.582 -10.468 1.00 0.00 H new ATOM 0 HA ALA A 28 2.143 -13.816 -10.917 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.749 -13.085 -13.246 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.310 -13.863 -12.547 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.380 -12.091 -12.695 1.00 0.00 H new ATOM 376 N PRO A 29 3.715 -11.882 -11.715 1.00 0.00 N ATOM 377 CA PRO A 29 4.754 -10.849 -11.747 1.00 0.00 C ATOM 378 C PRO A 29 4.332 -9.627 -12.556 1.00 0.00 C ATOM 379 O PRO A 29 4.704 -9.483 -13.720 1.00 0.00 O ATOM 380 CB PRO A 29 5.936 -11.553 -12.418 1.00 0.00 C ATOM 381 CG PRO A 29 5.316 -12.627 -13.244 1.00 0.00 C ATOM 382 CD PRO A 29 4.093 -13.075 -12.492 1.00 0.00 C ATOM 0 HA PRO A 29 4.978 -10.467 -10.751 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.511 -10.862 -13.034 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.622 -11.968 -11.679 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.051 -12.254 -14.233 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.009 -13.455 -13.391 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.296 -13.383 -13.168 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.308 -13.925 -11.844 1.00 0.00 H new ATOM 390 N GLY A 30 3.553 -8.749 -11.932 1.00 0.00 N ATOM 391 CA GLY A 30 3.094 -7.551 -12.610 1.00 0.00 C ATOM 392 C GLY A 30 1.848 -6.966 -11.975 1.00 0.00 C ATOM 393 O GLY A 30 1.565 -5.777 -12.124 1.00 0.00 O ATOM 0 H GLY A 30 3.232 -8.846 -10.969 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.888 -6.804 -12.599 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.890 -7.784 -13.655 1.00 0.00 H new ATOM 397 N THR A 31 1.100 -7.804 -11.263 1.00 0.00 N ATOM 398 CA THR A 31 -0.124 -7.365 -10.605 1.00 0.00 C ATOM 399 C THR A 31 0.152 -6.218 -9.640 1.00 0.00 C ATOM 400 O THR A 31 1.060 -6.278 -8.810 1.00 0.00 O ATOM 401 CB THR A 31 -0.794 -8.519 -9.836 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.160 -9.565 -10.743 1.00 0.00 O ATOM 403 CG2 THR A 31 -2.028 -8.030 -9.093 1.00 0.00 C ATOM 0 H THR A 31 1.321 -8.791 -11.128 1.00 0.00 H new ATOM 0 HA THR A 31 -0.799 -7.022 -11.389 1.00 0.00 H new ATOM 0 HB THR A 31 -0.080 -8.904 -9.108 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.584 -10.296 -10.246 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.484 -8.863 -8.557 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.741 -7.255 -8.382 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.744 -7.622 -9.806 1.00 0.00 H new ATOM 411 N PRO A 32 -0.648 -5.147 -9.747 1.00 0.00 N ATOM 412 CA PRO A 32 -0.510 -3.966 -8.890 1.00 0.00 C ATOM 413 C PRO A 32 -0.915 -4.246 -7.447 1.00 0.00 C ATOM 414 O PRO A 32 -1.868 -4.983 -7.192 1.00 0.00 O ATOM 415 CB PRO A 32 -1.464 -2.952 -9.526 1.00 0.00 C ATOM 416 CG PRO A 32 -2.478 -3.780 -10.237 1.00 0.00 C ATOM 417 CD PRO A 32 -1.751 -5.007 -10.714 1.00 0.00 C ATOM 0 HA PRO A 32 0.523 -3.622 -8.833 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.929 -2.319 -8.771 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.938 -2.292 -10.216 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.299 -4.047 -9.572 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.911 -3.233 -11.074 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.399 -5.883 -10.714 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.380 -4.884 -11.732 1.00 0.00 H new ATOM 425 N ILE A 33 -0.187 -3.654 -6.507 1.00 0.00 N ATOM 426 CA ILE A 33 -0.472 -3.840 -5.090 1.00 0.00 C ATOM 427 C ILE A 33 -1.293 -2.679 -4.538 1.00 0.00 C ATOM 428 O ILE A 33 -2.437 -2.858 -4.117 1.00 0.00 O ATOM 429 CB ILE A 33 0.823 -3.975 -4.267 1.00 0.00 C ATOM 430 CG1 ILE A 33 1.673 -5.129 -4.801 1.00 0.00 C ATOM 431 CG2 ILE A 33 0.497 -4.186 -2.796 1.00 0.00 C ATOM 432 CD1 ILE A 33 3.088 -5.135 -4.266 1.00 0.00 C ATOM 0 H ILE A 33 0.605 -3.041 -6.701 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.046 -4.763 -5.002 1.00 0.00 H new ATOM 0 HB ILE A 33 1.395 -3.052 -4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.192 -6.073 -4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.705 -5.073 -5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.423 -4.280 -2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.073 -3.335 -2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.093 -5.095 -2.681 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.633 -5.980 -4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.587 -4.207 -4.545 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.066 -5.222 -3.180 1.00 0.00 H new ATOM 444 N LEU A 34 -0.703 -1.489 -4.543 1.00 0.00 N ATOM 445 CA LEU A 34 -1.379 -0.297 -4.045 1.00 0.00 C ATOM 446 C LEU A 34 -0.673 0.969 -4.521 1.00 0.00 C ATOM 447 O LEU A 34 0.442 0.911 -5.038 1.00 0.00 O ATOM 448 CB LEU A 34 -1.435 -0.319 -2.516 1.00 0.00 C ATOM 449 CG LEU A 34 -0.102 -0.531 -1.799 1.00 0.00 C ATOM 450 CD1 LEU A 34 0.597 0.799 -1.566 1.00 0.00 C ATOM 451 CD2 LEU A 34 -0.315 -1.261 -0.481 1.00 0.00 C ATOM 0 H LEU A 34 0.243 -1.324 -4.887 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.395 -0.295 -4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.863 0.624 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.120 -1.109 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 34 0.535 -1.147 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.544 0.628 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.785 1.284 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.036 1.440 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.645 -1.403 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.971 -0.672 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.772 -2.232 -0.673 1.00 0.00 H new ATOM 463 N GLN A 35 -1.330 2.110 -4.340 1.00 0.00 N ATOM 464 CA GLN A 35 -0.764 3.390 -4.749 1.00 0.00 C ATOM 465 C GLN A 35 -0.521 4.289 -3.542 1.00 0.00 C ATOM 466 O GLN A 35 -1.457 4.656 -2.829 1.00 0.00 O ATOM 467 CB GLN A 35 -1.695 4.089 -5.741 1.00 0.00 C ATOM 468 CG GLN A 35 -1.287 5.520 -6.055 1.00 0.00 C ATOM 469 CD GLN A 35 -1.967 6.062 -7.296 1.00 0.00 C ATOM 470 OE1 GLN A 35 -3.080 5.658 -7.635 1.00 0.00 O ATOM 471 NE2 GLN A 35 -1.301 6.983 -7.982 1.00 0.00 N ATOM 0 H GLN A 35 -2.254 2.174 -3.913 1.00 0.00 H new ATOM 0 HA GLN A 35 0.193 3.197 -5.233 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.721 3.516 -6.668 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.708 4.089 -5.338 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.529 6.158 -5.205 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.206 5.564 -6.189 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.381 7.289 -7.665 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.709 7.385 -8.826 1.00 0.00 H new ATOM 480 N LEU A 36 0.740 4.641 -3.317 1.00 0.00 N ATOM 481 CA LEU A 36 1.107 5.498 -2.194 1.00 0.00 C ATOM 482 C LEU A 36 0.597 6.920 -2.406 1.00 0.00 C ATOM 483 O LEU A 36 0.680 7.462 -3.508 1.00 0.00 O ATOM 484 CB LEU A 36 2.625 5.510 -2.012 1.00 0.00 C ATOM 485 CG LEU A 36 3.265 4.177 -1.621 1.00 0.00 C ATOM 486 CD1 LEU A 36 4.781 4.276 -1.678 1.00 0.00 C ATOM 487 CD2 LEU A 36 2.808 3.753 -0.232 1.00 0.00 C ATOM 0 H LEU A 36 1.526 4.347 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 36 0.643 5.096 -1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.080 5.849 -2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.873 6.247 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 36 2.944 3.418 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.219 3.318 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.091 4.533 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.121 5.048 -0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.273 2.803 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.099 4.512 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.724 3.641 -0.224 1.00 0.00 H new ATOM 499 N ARG A 37 0.072 7.519 -1.342 1.00 0.00 N ATOM 500 CA ARG A 37 -0.450 8.879 -1.411 1.00 0.00 C ATOM 501 C ARG A 37 0.056 9.715 -0.239 1.00 0.00 C ATOM 502 O ARG A 37 0.023 9.276 0.910 1.00 0.00 O ATOM 503 CB ARG A 37 -1.980 8.861 -1.415 1.00 0.00 C ATOM 504 CG ARG A 37 -2.583 8.731 -2.804 1.00 0.00 C ATOM 505 CD ARG A 37 -4.068 9.057 -2.799 1.00 0.00 C ATOM 506 NE ARG A 37 -4.523 9.557 -4.094 1.00 0.00 N ATOM 507 CZ ARG A 37 -5.785 9.491 -4.505 1.00 0.00 C ATOM 508 NH1 ARG A 37 -6.712 8.950 -3.727 1.00 0.00 N ATOM 509 NH2 ARG A 37 -6.121 9.969 -5.696 1.00 0.00 N ATOM 0 H ARG A 37 -0.003 7.084 -0.422 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.096 9.331 -2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.327 8.032 -0.798 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.347 9.777 -0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.065 9.400 -3.491 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.433 7.716 -3.173 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.634 8.164 -2.536 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.273 9.802 -2.030 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.835 9.980 -4.717 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.457 8.583 -2.810 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.680 8.901 -4.045 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.411 10.387 -6.297 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.090 9.918 -6.011 1.00 0.00 H new ATOM 697 N TYR A 51 8.605 8.386 -4.524 1.00 0.00 N ATOM 698 CA TYR A 51 8.441 7.158 -3.755 1.00 0.00 C ATOM 699 C TYR A 51 9.537 6.152 -4.093 1.00 0.00 C ATOM 700 O TYR A 51 9.400 5.354 -5.020 1.00 0.00 O ATOM 701 CB TYR A 51 7.067 6.542 -4.026 1.00 0.00 C ATOM 702 CG TYR A 51 5.929 7.532 -3.927 1.00 0.00 C ATOM 703 CD1 TYR A 51 5.377 7.866 -2.696 1.00 0.00 C ATOM 704 CD2 TYR A 51 5.406 8.135 -5.064 1.00 0.00 C ATOM 705 CE1 TYR A 51 4.337 8.769 -2.601 1.00 0.00 C ATOM 706 CE2 TYR A 51 4.367 9.041 -4.978 1.00 0.00 C ATOM 707 CZ TYR A 51 3.835 9.355 -3.744 1.00 0.00 C ATOM 708 OH TYR A 51 2.800 10.256 -3.654 1.00 0.00 O ATOM 0 HA TYR A 51 8.518 7.409 -2.697 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.067 6.099 -5.022 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.895 5.732 -3.317 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.768 7.411 -1.798 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.819 7.891 -6.032 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.919 9.015 -1.636 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.973 9.501 -5.872 1.00 0.00 H new ATOM 0 HH TYR A 51 2.566 10.576 -4.550 1.00 0.00 H new ATOM 718 N VAL A 52 10.627 6.197 -3.332 1.00 0.00 N ATOM 719 CA VAL A 52 11.747 5.289 -3.549 1.00 0.00 C ATOM 720 C VAL A 52 11.810 4.224 -2.460 1.00 0.00 C ATOM 721 O VAL A 52 11.093 4.298 -1.462 1.00 0.00 O ATOM 722 CB VAL A 52 13.086 6.050 -3.585 1.00 0.00 C ATOM 723 CG1 VAL A 52 13.122 7.013 -4.762 1.00 0.00 C ATOM 724 CG2 VAL A 52 13.315 6.788 -2.274 1.00 0.00 C ATOM 0 H VAL A 52 10.758 6.852 -2.561 1.00 0.00 H new ATOM 0 HA VAL A 52 11.583 4.809 -4.514 1.00 0.00 H new ATOM 0 HB VAL A 52 13.891 5.327 -3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.075 7.541 -4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.007 6.456 -5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.309 7.733 -4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.265 7.320 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.507 7.501 -2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.337 6.072 -1.452 1.00 0.00 H new ATOM 734 N PHE A 53 12.672 3.233 -2.658 1.00 0.00 N ATOM 735 CA PHE A 53 12.829 2.151 -1.694 1.00 0.00 C ATOM 736 C PHE A 53 13.666 2.602 -0.501 1.00 0.00 C ATOM 737 O PHE A 53 14.877 2.784 -0.612 1.00 0.00 O ATOM 738 CB PHE A 53 13.481 0.937 -2.358 1.00 0.00 C ATOM 739 CG PHE A 53 12.491 -0.036 -2.933 1.00 0.00 C ATOM 740 CD1 PHE A 53 11.517 -0.609 -2.131 1.00 0.00 C ATOM 741 CD2 PHE A 53 12.535 -0.378 -4.275 1.00 0.00 C ATOM 742 CE1 PHE A 53 10.605 -1.504 -2.657 1.00 0.00 C ATOM 743 CE2 PHE A 53 11.625 -1.273 -4.806 1.00 0.00 C ATOM 744 CZ PHE A 53 10.660 -1.837 -3.996 1.00 0.00 C ATOM 0 H PHE A 53 13.273 3.157 -3.478 1.00 0.00 H new ATOM 0 HA PHE A 53 11.838 1.872 -1.336 1.00 0.00 H new ATOM 0 HB2 PHE A 53 14.144 1.280 -3.152 1.00 0.00 H new ATOM 0 HB3 PHE A 53 14.101 0.421 -1.625 1.00 0.00 H new ATOM 0 HD1 PHE A 53 11.470 -0.353 -1.083 1.00 0.00 H new ATOM 0 HD2 PHE A 53 13.288 0.059 -4.913 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.850 -1.943 -2.021 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.669 -1.531 -5.854 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.949 -2.538 -4.409 1.00 0.00 H new ATOM 754 N GLY A 54 13.009 2.782 0.642 1.00 0.00 N ATOM 755 CA GLY A 54 13.707 3.212 1.839 1.00 0.00 C ATOM 756 C GLY A 54 14.582 2.120 2.423 1.00 0.00 C ATOM 757 O GLY A 54 15.643 1.810 1.883 1.00 0.00 O ATOM 0 H GLY A 54 12.006 2.638 0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.323 4.080 1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.979 3.529 2.586 1.00 0.00 H new ATOM 761 N ALA A 55 14.136 1.537 3.532 1.00 0.00 N ATOM 762 CA ALA A 55 14.886 0.474 4.189 1.00 0.00 C ATOM 763 C ALA A 55 14.438 -0.898 3.698 1.00 0.00 C ATOM 764 O ALA A 55 14.214 -1.810 4.493 1.00 0.00 O ATOM 765 CB ALA A 55 14.727 0.574 5.700 1.00 0.00 C ATOM 0 H ALA A 55 13.260 1.783 3.993 1.00 0.00 H new ATOM 0 HA ALA A 55 15.939 0.595 3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.292 -0.226 6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 55 15.102 1.539 6.042 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.673 0.481 5.962 1.00 0.00 H new ATOM 771 N ALA A 56 14.309 -1.037 2.382 1.00 0.00 N ATOM 772 CA ALA A 56 13.889 -2.299 1.785 1.00 0.00 C ATOM 773 C ALA A 56 15.092 -3.175 1.451 1.00 0.00 C ATOM 774 O ALA A 56 16.209 -2.681 1.294 1.00 0.00 O ATOM 775 CB ALA A 56 13.058 -2.041 0.537 1.00 0.00 C ATOM 0 H ALA A 56 14.489 -0.291 1.710 1.00 0.00 H new ATOM 0 HA ALA A 56 13.276 -2.831 2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.751 -2.992 0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.174 -1.461 0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.653 -1.485 -0.188 1.00 0.00 H new ATOM 781 N THR A 57 14.857 -4.479 1.343 1.00 0.00 N ATOM 782 CA THR A 57 15.921 -5.424 1.029 1.00 0.00 C ATOM 783 C THR A 57 15.940 -5.756 -0.459 1.00 0.00 C ATOM 784 O THR A 57 14.910 -5.695 -1.130 1.00 0.00 O ATOM 785 CB THR A 57 15.768 -6.729 1.833 1.00 0.00 C ATOM 786 OG1 THR A 57 16.761 -7.676 1.422 1.00 0.00 O ATOM 787 CG2 THR A 57 14.382 -7.324 1.641 1.00 0.00 C ATOM 0 H THR A 57 13.939 -4.905 1.469 1.00 0.00 H new ATOM 0 HA THR A 57 16.861 -4.945 1.303 1.00 0.00 H new ATOM 0 HB THR A 57 15.902 -6.497 2.890 1.00 0.00 H new ATOM 0 HG1 THR A 57 16.659 -8.502 1.939 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.298 -8.245 2.218 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.630 -6.612 1.982 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.223 -7.542 0.585 1.00 0.00 H new ATOM 795 N GLU A 58 17.117 -6.108 -0.967 1.00 0.00 N ATOM 796 CA GLU A 58 17.268 -6.450 -2.376 1.00 0.00 C ATOM 797 C GLU A 58 16.182 -7.426 -2.819 1.00 0.00 C ATOM 798 O GLU A 58 15.825 -7.483 -3.996 1.00 0.00 O ATOM 799 CB GLU A 58 18.649 -7.056 -2.632 1.00 0.00 C ATOM 800 CG GLU A 58 18.959 -8.256 -1.753 1.00 0.00 C ATOM 801 CD GLU A 58 20.063 -9.127 -2.321 1.00 0.00 C ATOM 802 OE1 GLU A 58 19.975 -9.491 -3.513 1.00 0.00 O ATOM 803 OE2 GLU A 58 21.013 -9.443 -1.576 1.00 0.00 O ATOM 0 H GLU A 58 17.979 -6.164 -0.424 1.00 0.00 H new ATOM 0 HA GLU A 58 17.168 -5.534 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 58 18.717 -7.355 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 58 19.408 -6.291 -2.469 1.00 0.00 H new ATOM 0 HG2 GLU A 58 19.249 -7.910 -0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 58 18.056 -8.854 -1.630 1.00 0.00 H new ATOM 810 N SER A 59 15.661 -8.194 -1.867 1.00 0.00 N ATOM 811 CA SER A 59 14.619 -9.172 -2.159 1.00 0.00 C ATOM 812 C SER A 59 13.281 -8.482 -2.407 1.00 0.00 C ATOM 813 O SER A 59 12.472 -8.942 -3.213 1.00 0.00 O ATOM 814 CB SER A 59 14.486 -10.166 -1.004 1.00 0.00 C ATOM 815 OG SER A 59 15.444 -11.205 -1.113 1.00 0.00 O ATOM 0 H SER A 59 15.943 -8.158 -0.887 1.00 0.00 H new ATOM 0 HA SER A 59 14.903 -9.711 -3.063 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.616 -9.645 -0.055 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.482 -10.591 -1.000 1.00 0.00 H new ATOM 0 HG SER A 59 15.340 -11.826 -0.362 1.00 0.00 H new ATOM 821 N VAL A 60 13.055 -7.374 -1.708 1.00 0.00 N ATOM 822 CA VAL A 60 11.816 -6.619 -1.852 1.00 0.00 C ATOM 823 C VAL A 60 11.790 -5.851 -3.169 1.00 0.00 C ATOM 824 O VAL A 60 10.763 -5.792 -3.845 1.00 0.00 O ATOM 825 CB VAL A 60 11.625 -5.627 -0.689 1.00 0.00 C ATOM 826 CG1 VAL A 60 10.372 -4.791 -0.901 1.00 0.00 C ATOM 827 CG2 VAL A 60 11.563 -6.368 0.638 1.00 0.00 C ATOM 0 H VAL A 60 13.714 -6.980 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 60 11.001 -7.343 -1.840 1.00 0.00 H new ATOM 0 HB VAL A 60 12.482 -4.954 -0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.253 -4.096 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.461 -4.231 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.502 -5.446 -0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.428 -5.652 1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.725 -7.065 0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.491 -6.918 0.791 1.00 0.00 H new ATOM 837 N ARG A 61 12.928 -5.266 -3.529 1.00 0.00 N ATOM 838 CA ARG A 61 13.036 -4.501 -4.766 1.00 0.00 C ATOM 839 C ARG A 61 12.995 -5.423 -5.981 1.00 0.00 C ATOM 840 O ARG A 61 12.353 -5.115 -6.985 1.00 0.00 O ATOM 841 CB ARG A 61 14.331 -3.686 -4.775 1.00 0.00 C ATOM 842 CG ARG A 61 15.588 -4.540 -4.783 1.00 0.00 C ATOM 843 CD ARG A 61 16.830 -3.705 -4.517 1.00 0.00 C ATOM 844 NE ARG A 61 18.036 -4.332 -5.051 1.00 0.00 N ATOM 845 CZ ARG A 61 18.419 -4.229 -6.319 1.00 0.00 C ATOM 846 NH1 ARG A 61 17.694 -3.526 -7.178 1.00 0.00 N ATOM 847 NH2 ARG A 61 19.529 -4.829 -6.729 1.00 0.00 N ATOM 0 H ARG A 61 13.788 -5.307 -2.982 1.00 0.00 H new ATOM 0 HA ARG A 61 12.186 -3.821 -4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 61 14.337 -3.038 -5.652 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.348 -3.037 -3.899 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.504 -5.320 -4.027 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.684 -5.040 -5.747 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.706 -2.719 -4.964 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.944 -3.556 -3.443 1.00 0.00 H new ATOM 0 HE ARG A 61 18.616 -4.879 -4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 61 16.840 -3.063 -6.866 1.00 0.00 H new ATOM 0 HH12 ARG A 61 17.990 -3.448 -8.151 1.00 0.00 H new ATOM 0 HH21 ARG A 61 20.089 -5.370 -6.070 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.822 -4.749 -7.703 1.00 0.00 H new ATOM 861 N ARG A 62 13.683 -6.556 -5.881 1.00 0.00 N ATOM 862 CA ARG A 62 13.727 -7.522 -6.972 1.00 0.00 C ATOM 863 C ARG A 62 12.391 -8.246 -7.110 1.00 0.00 C ATOM 864 O ARG A 62 11.953 -8.557 -8.219 1.00 0.00 O ATOM 865 CB ARG A 62 14.848 -8.536 -6.739 1.00 0.00 C ATOM 866 CG ARG A 62 14.550 -9.528 -5.626 1.00 0.00 C ATOM 867 CD ARG A 62 15.802 -10.275 -5.197 1.00 0.00 C ATOM 868 NE ARG A 62 15.488 -11.565 -4.588 1.00 0.00 N ATOM 869 CZ ARG A 62 16.404 -12.479 -4.287 1.00 0.00 C ATOM 870 NH1 ARG A 62 17.685 -12.245 -4.537 1.00 0.00 N ATOM 871 NH2 ARG A 62 16.040 -13.629 -3.735 1.00 0.00 N ATOM 0 H ARG A 62 14.217 -6.827 -5.056 1.00 0.00 H new ATOM 0 HA ARG A 62 13.924 -6.980 -7.897 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.029 -9.084 -7.664 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.767 -8.001 -6.501 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.128 -9.001 -4.770 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.797 -10.241 -5.964 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.446 -10.430 -6.063 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.362 -9.666 -4.488 1.00 0.00 H new ATOM 0 HE ARG A 62 14.511 -11.776 -4.382 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.969 -11.362 -4.961 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.387 -12.948 -4.305 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.056 -13.813 -3.541 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.745 -14.330 -3.505 1.00 0.00 H new ATOM 885 N LEU A 63 11.749 -8.512 -5.978 1.00 0.00 N ATOM 886 CA LEU A 63 10.462 -9.201 -5.972 1.00 0.00 C ATOM 887 C LEU A 63 9.324 -8.231 -6.275 1.00 0.00 C ATOM 888 O LEU A 63 8.337 -8.597 -6.914 1.00 0.00 O ATOM 889 CB LEU A 63 10.228 -9.873 -4.618 1.00 0.00 C ATOM 890 CG LEU A 63 8.851 -10.505 -4.412 1.00 0.00 C ATOM 891 CD1 LEU A 63 8.628 -11.633 -5.407 1.00 0.00 C ATOM 892 CD2 LEU A 63 8.706 -11.013 -2.985 1.00 0.00 C ATOM 0 H LEU A 63 12.098 -8.262 -5.053 1.00 0.00 H new ATOM 0 HA LEU A 63 10.482 -9.964 -6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.984 -10.646 -4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.386 -9.132 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 63 8.092 -9.742 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.643 -12.071 -5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.689 -11.240 -6.422 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.392 -12.397 -5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.720 -11.460 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.472 -11.762 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.821 -10.182 -2.289 1.00 0.00 H new ATOM 904 N LEU A 64 9.470 -6.993 -5.816 1.00 0.00 N ATOM 905 CA LEU A 64 8.456 -5.970 -6.040 1.00 0.00 C ATOM 906 C LEU A 64 9.072 -4.718 -6.656 1.00 0.00 C ATOM 907 O LEU A 64 10.182 -4.321 -6.301 1.00 0.00 O ATOM 908 CB LEU A 64 7.761 -5.615 -4.724 1.00 0.00 C ATOM 909 CG LEU A 64 7.272 -6.796 -3.884 1.00 0.00 C ATOM 910 CD1 LEU A 64 7.328 -6.457 -2.403 1.00 0.00 C ATOM 911 CD2 LEU A 64 5.859 -7.189 -4.290 1.00 0.00 C ATOM 0 H LEU A 64 10.281 -6.674 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 64 7.719 -6.371 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.450 -5.026 -4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.907 -4.976 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 64 7.931 -7.645 -4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.976 -7.309 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.355 -6.224 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.693 -5.594 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.527 -8.031 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.188 -6.344 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.849 -7.474 -5.342 1.00 0.00 H new ATOM 923 N ARG A 65 8.343 -4.099 -7.579 1.00 0.00 N ATOM 924 CA ARG A 65 8.818 -2.891 -8.244 1.00 0.00 C ATOM 925 C ARG A 65 8.011 -1.674 -7.802 1.00 0.00 C ATOM 926 O ARG A 65 6.779 -1.694 -7.817 1.00 0.00 O ATOM 927 CB ARG A 65 8.730 -3.051 -9.762 1.00 0.00 C ATOM 928 CG ARG A 65 9.654 -2.118 -10.528 1.00 0.00 C ATOM 929 CD ARG A 65 9.193 -1.933 -11.965 1.00 0.00 C ATOM 930 NE ARG A 65 7.957 -1.161 -12.048 1.00 0.00 N ATOM 931 CZ ARG A 65 6.748 -1.710 -12.089 1.00 0.00 C ATOM 932 NH1 ARG A 65 6.614 -3.029 -12.053 1.00 0.00 N ATOM 933 NH2 ARG A 65 5.670 -0.941 -12.164 1.00 0.00 N ATOM 0 H ARG A 65 7.422 -4.414 -7.883 1.00 0.00 H new ATOM 0 HA ARG A 65 9.859 -2.737 -7.962 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.969 -4.082 -10.025 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.703 -2.872 -10.079 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.690 -1.150 -10.029 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.667 -2.519 -10.519 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.974 -1.429 -12.534 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.042 -2.909 -12.426 1.00 0.00 H new ATOM 0 HE ARG A 65 8.025 -0.144 -12.076 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.440 -3.624 -11.994 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.685 -3.448 -12.085 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.768 0.074 -12.190 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.743 -1.365 -12.195 1.00 0.00 H new ATOM 947 N LEU A 66 8.712 -0.617 -7.408 1.00 0.00 N ATOM 948 CA LEU A 66 8.061 0.610 -6.961 1.00 0.00 C ATOM 949 C LEU A 66 8.404 1.776 -7.883 1.00 0.00 C ATOM 950 O LEU A 66 9.521 1.868 -8.394 1.00 0.00 O ATOM 951 CB LEU A 66 8.478 0.939 -5.527 1.00 0.00 C ATOM 952 CG LEU A 66 8.203 2.368 -5.058 1.00 0.00 C ATOM 953 CD1 LEU A 66 6.706 2.635 -5.010 1.00 0.00 C ATOM 954 CD2 LEU A 66 8.834 2.614 -3.696 1.00 0.00 C ATOM 0 H LEU A 66 9.731 -0.584 -7.389 1.00 0.00 H new ATOM 0 HA LEU A 66 6.983 0.452 -6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.964 0.252 -4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.546 0.744 -5.427 1.00 0.00 H new ATOM 0 HG LEU A 66 8.652 3.057 -5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.529 3.657 -4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.280 2.501 -6.005 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.234 1.938 -4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.628 3.636 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.415 1.917 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.912 2.465 -3.762 1.00 0.00 H new ATOM 966 N ASP A 67 7.439 2.665 -8.088 1.00 0.00 N ATOM 967 CA ASP A 67 7.640 3.827 -8.946 1.00 0.00 C ATOM 968 C ASP A 67 7.808 5.094 -8.113 1.00 0.00 C ATOM 969 O ASP A 67 7.448 5.127 -6.936 1.00 0.00 O ATOM 970 CB ASP A 67 6.463 3.987 -9.909 1.00 0.00 C ATOM 971 CG ASP A 67 6.463 2.939 -11.003 1.00 0.00 C ATOM 972 OD1 ASP A 67 7.346 3.002 -11.885 1.00 0.00 O ATOM 973 OD2 ASP A 67 5.583 2.054 -10.978 1.00 0.00 O ATOM 0 H ASP A 67 6.510 2.604 -7.672 1.00 0.00 H new ATOM 0 HA ASP A 67 8.551 3.669 -9.523 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.529 3.924 -9.350 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.499 4.979 -10.360 1.00 0.00 H new ATOM 978 N GLU A 68 8.357 6.135 -8.731 1.00 0.00 N ATOM 979 CA GLU A 68 8.574 7.403 -8.045 1.00 0.00 C ATOM 980 C GLU A 68 7.877 8.545 -8.780 1.00 0.00 C ATOM 981 O GLU A 68 7.438 9.518 -8.166 1.00 0.00 O ATOM 982 CB GLU A 68 10.071 7.696 -7.928 1.00 0.00 C ATOM 983 CG GLU A 68 10.662 8.349 -9.167 1.00 0.00 C ATOM 984 CD GLU A 68 10.524 7.484 -10.404 1.00 0.00 C ATOM 985 OE1 GLU A 68 10.470 6.245 -10.260 1.00 0.00 O ATOM 986 OE2 GLU A 68 10.469 8.047 -11.518 1.00 0.00 O ATOM 0 H GLU A 68 8.659 6.125 -9.705 1.00 0.00 H new ATOM 0 HA GLU A 68 8.148 7.323 -7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.239 8.346 -7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.601 6.764 -7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.168 9.305 -9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.717 8.562 -8.993 1.00 0.00 H new ATOM 993 N THR A 69 7.779 8.419 -10.100 1.00 0.00 N ATOM 994 CA THR A 69 7.138 9.440 -10.919 1.00 0.00 C ATOM 995 C THR A 69 5.636 9.489 -10.662 1.00 0.00 C ATOM 996 O THR A 69 5.041 10.565 -10.608 1.00 0.00 O ATOM 997 CB THR A 69 7.382 9.191 -12.419 1.00 0.00 C ATOM 998 OG1 THR A 69 6.797 10.245 -13.192 1.00 0.00 O ATOM 999 CG2 THR A 69 6.796 7.855 -12.849 1.00 0.00 C ATOM 0 H THR A 69 8.135 7.620 -10.624 1.00 0.00 H new ATOM 0 HA THR A 69 7.583 10.395 -10.639 1.00 0.00 H new ATOM 0 HB THR A 69 8.458 9.169 -12.590 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.958 10.080 -14.145 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.981 7.702 -13.912 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.264 7.052 -12.280 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.722 7.852 -12.664 1.00 0.00 H new ATOM 1007 N SER A 70 5.029 8.317 -10.502 1.00 0.00 N ATOM 1008 CA SER A 70 3.596 8.226 -10.253 1.00 0.00 C ATOM 1009 C SER A 70 3.320 7.814 -8.810 1.00 0.00 C ATOM 1010 O SER A 70 2.443 8.370 -8.151 1.00 0.00 O ATOM 1011 CB SER A 70 2.952 7.224 -11.214 1.00 0.00 C ATOM 1012 OG SER A 70 3.591 5.961 -11.137 1.00 0.00 O ATOM 0 H SER A 70 5.508 7.417 -10.541 1.00 0.00 H new ATOM 0 HA SER A 70 3.160 9.211 -10.421 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.894 7.115 -10.976 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.011 7.604 -12.234 1.00 0.00 H new ATOM 0 HG SER A 70 3.160 5.338 -11.759 1.00 0.00 H new ATOM 1018 N GLY A 71 4.077 6.834 -8.326 1.00 0.00 N ATOM 1019 CA GLY A 71 3.900 6.363 -6.965 1.00 0.00 C ATOM 1020 C GLY A 71 3.032 5.122 -6.890 1.00 0.00 C ATOM 1021 O GLY A 71 2.283 4.939 -5.930 1.00 0.00 O ATOM 0 H GLY A 71 4.810 6.358 -8.852 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.875 6.148 -6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.450 7.154 -6.365 1.00 0.00 H new ATOM 1025 N TRP A 72 3.131 4.270 -7.903 1.00 0.00 N ATOM 1026 CA TRP A 72 2.347 3.041 -7.948 1.00 0.00 C ATOM 1027 C TRP A 72 3.222 1.826 -7.659 1.00 0.00 C ATOM 1028 O TRP A 72 4.273 1.645 -8.276 1.00 0.00 O ATOM 1029 CB TRP A 72 1.677 2.889 -9.315 1.00 0.00 C ATOM 1030 CG TRP A 72 0.300 3.479 -9.370 1.00 0.00 C ATOM 1031 CD1 TRP A 72 -0.037 4.735 -9.789 1.00 0.00 C ATOM 1032 CD2 TRP A 72 -0.923 2.838 -8.993 1.00 0.00 C ATOM 1033 NE1 TRP A 72 -1.396 4.913 -9.694 1.00 0.00 N ATOM 1034 CE2 TRP A 72 -1.963 3.764 -9.209 1.00 0.00 C ATOM 1035 CE3 TRP A 72 -1.242 1.572 -8.494 1.00 0.00 C ATOM 1036 CZ2 TRP A 72 -3.295 3.462 -8.943 1.00 0.00 C ATOM 1037 CZ3 TRP A 72 -2.565 1.274 -8.231 1.00 0.00 C ATOM 1038 CH2 TRP A 72 -3.579 2.215 -8.456 1.00 0.00 C ATOM 0 H TRP A 72 3.746 4.407 -8.705 1.00 0.00 H new ATOM 0 HA TRP A 72 1.577 3.102 -7.179 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.300 3.366 -10.072 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.621 1.830 -9.569 1.00 0.00 H new ATOM 0 HD1 TRP A 72 0.662 5.478 -10.143 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.901 5.763 -9.944 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.468 0.840 -8.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -4.077 4.186 -9.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.823 0.299 -7.845 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -4.604 1.951 -8.241 1.00 0.00 H new ATOM 1049 N LEU A 73 2.783 0.997 -6.719 1.00 0.00 N ATOM 1050 CA LEU A 73 3.527 -0.202 -6.349 1.00 0.00 C ATOM 1051 C LEU A 73 2.885 -1.448 -6.950 1.00 0.00 C ATOM 1052 O LEU A 73 1.670 -1.628 -6.880 1.00 0.00 O ATOM 1053 CB LEU A 73 3.595 -0.334 -4.826 1.00 0.00 C ATOM 1054 CG LEU A 73 4.851 -1.002 -4.266 1.00 0.00 C ATOM 1055 CD1 LEU A 73 4.982 -0.728 -2.776 1.00 0.00 C ATOM 1056 CD2 LEU A 73 4.824 -2.499 -4.534 1.00 0.00 C ATOM 0 H LEU A 73 1.916 1.133 -6.199 1.00 0.00 H new ATOM 0 HA LEU A 73 4.538 -0.109 -6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.513 0.662 -4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.726 -0.901 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 73 5.720 -0.579 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.882 -1.211 -2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.049 0.347 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.110 -1.123 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.726 -2.958 -4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.948 -2.938 -4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.779 -2.675 -5.609 1.00 0.00 H new ATOM 1068 N SER A 74 3.711 -2.307 -7.540 1.00 0.00 N ATOM 1069 CA SER A 74 3.225 -3.536 -8.155 1.00 0.00 C ATOM 1070 C SER A 74 4.243 -4.661 -8.000 1.00 0.00 C ATOM 1071 O SER A 74 5.352 -4.448 -7.509 1.00 0.00 O ATOM 1072 CB SER A 74 2.924 -3.305 -9.637 1.00 0.00 C ATOM 1073 OG SER A 74 4.120 -3.166 -10.384 1.00 0.00 O ATOM 0 H SER A 74 4.720 -2.174 -7.605 1.00 0.00 H new ATOM 0 HA SER A 74 2.306 -3.829 -7.646 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.342 -4.140 -10.028 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.313 -2.410 -9.752 1.00 0.00 H new ATOM 0 HG SER A 74 4.466 -2.255 -10.281 1.00 0.00 H new ATOM 1079 N VAL A 75 3.859 -5.861 -8.423 1.00 0.00 N ATOM 1080 CA VAL A 75 4.738 -7.021 -8.334 1.00 0.00 C ATOM 1081 C VAL A 75 5.660 -7.107 -9.545 1.00 0.00 C ATOM 1082 O VAL A 75 5.261 -6.789 -10.666 1.00 0.00 O ATOM 1083 CB VAL A 75 3.932 -8.329 -8.222 1.00 0.00 C ATOM 1084 CG1 VAL A 75 4.859 -9.509 -7.974 1.00 0.00 C ATOM 1085 CG2 VAL A 75 2.889 -8.219 -7.120 1.00 0.00 C ATOM 0 H VAL A 75 2.945 -6.055 -8.831 1.00 0.00 H new ATOM 0 HA VAL A 75 5.338 -6.894 -7.433 1.00 0.00 H new ATOM 0 HB VAL A 75 3.414 -8.498 -9.166 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.271 -10.424 -7.898 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.564 -9.598 -8.801 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.408 -9.352 -7.045 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.329 -9.152 -7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.384 -8.026 -6.168 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.206 -7.400 -7.346 1.00 0.00 H new ATOM 1095 N LEU A 76 6.894 -7.540 -9.313 1.00 0.00 N ATOM 1096 CA LEU A 76 7.874 -7.669 -10.386 1.00 0.00 C ATOM 1097 C LEU A 76 8.117 -9.136 -10.728 1.00 0.00 C ATOM 1098 O LEU A 76 8.187 -9.508 -11.900 1.00 0.00 O ATOM 1099 CB LEU A 76 9.191 -7.003 -9.983 1.00 0.00 C ATOM 1100 CG LEU A 76 10.226 -6.837 -11.096 1.00 0.00 C ATOM 1101 CD1 LEU A 76 9.732 -5.849 -12.141 1.00 0.00 C ATOM 1102 CD2 LEU A 76 11.560 -6.384 -10.519 1.00 0.00 C ATOM 0 H LEU A 76 7.240 -7.808 -8.392 1.00 0.00 H new ATOM 0 HA LEU A 76 7.477 -7.170 -11.270 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.967 -6.018 -9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.640 -7.588 -9.180 1.00 0.00 H new ATOM 0 HG LEU A 76 10.371 -7.803 -11.580 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.482 -5.744 -12.925 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.801 -6.214 -12.575 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.558 -4.880 -11.672 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.285 -6.271 -11.325 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.431 -5.429 -10.010 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.920 -7.128 -9.808 1.00 0.00 H new ATOM 1114 N HIS A 77 8.242 -9.966 -9.697 1.00 0.00 N ATOM 1115 CA HIS A 77 8.474 -11.393 -9.889 1.00 0.00 C ATOM 1116 C HIS A 77 7.412 -12.218 -9.168 1.00 0.00 C ATOM 1117 O HIS A 77 7.011 -11.891 -8.051 1.00 0.00 O ATOM 1118 CB HIS A 77 9.865 -11.778 -9.383 1.00 0.00 C ATOM 1119 CG HIS A 77 10.958 -11.502 -10.369 1.00 0.00 C ATOM 1120 ND1 HIS A 77 10.889 -11.878 -11.694 1.00 0.00 N ATOM 1121 CD2 HIS A 77 12.152 -10.882 -10.217 1.00 0.00 C ATOM 1122 CE1 HIS A 77 11.994 -11.503 -12.314 1.00 0.00 C ATOM 1123 NE2 HIS A 77 12.776 -10.895 -11.440 1.00 0.00 N ATOM 0 H HIS A 77 8.187 -9.675 -8.721 1.00 0.00 H new ATOM 0 HA HIS A 77 8.412 -11.605 -10.956 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.071 -11.233 -8.462 1.00 0.00 H new ATOM 0 HB3 HIS A 77 9.871 -12.839 -9.134 1.00 0.00 H new ATOM 0 HD2 HIS A 77 12.541 -10.456 -9.304 1.00 0.00 H new ATOM 0 HE1 HIS A 77 12.219 -11.666 -13.358 1.00 0.00 H new ATOM 0 HE2 HIS A 77 13.694 -10.499 -11.641 1.00 0.00 H new ATOM 1132 N ARG A 78 6.960 -13.287 -9.816 1.00 0.00 N ATOM 1133 CA ARG A 78 5.942 -14.156 -9.237 1.00 0.00 C ATOM 1134 C ARG A 78 6.232 -14.426 -7.764 1.00 0.00 C ATOM 1135 O ARG A 78 7.389 -14.545 -7.360 1.00 0.00 O ATOM 1136 CB ARG A 78 5.874 -15.478 -10.005 1.00 0.00 C ATOM 1137 CG ARG A 78 6.842 -16.532 -9.491 1.00 0.00 C ATOM 1138 CD ARG A 78 8.248 -16.304 -10.023 1.00 0.00 C ATOM 1139 NE ARG A 78 8.325 -16.502 -11.468 1.00 0.00 N ATOM 1140 CZ ARG A 78 9.455 -16.765 -12.114 1.00 0.00 C ATOM 1141 NH1 ARG A 78 10.597 -16.861 -11.448 1.00 0.00 N ATOM 1142 NH2 ARG A 78 9.445 -16.932 -13.431 1.00 0.00 N ATOM 0 H ARG A 78 7.282 -13.572 -10.741 1.00 0.00 H new ATOM 0 HA ARG A 78 4.980 -13.649 -9.313 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.859 -15.870 -9.947 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.083 -15.288 -11.058 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.857 -16.513 -8.401 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.495 -17.522 -9.788 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.568 -15.291 -9.778 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.939 -16.986 -9.526 1.00 0.00 H new ATOM 0 HE ARG A 78 7.464 -16.435 -12.011 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.610 -16.733 -10.436 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.463 -17.063 -11.947 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.569 -16.858 -13.948 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.314 -17.134 -13.926 1.00 0.00 H new ATOM 1156 N ILE A 79 5.174 -14.522 -6.966 1.00 0.00 N ATOM 1157 CA ILE A 79 5.315 -14.778 -5.538 1.00 0.00 C ATOM 1158 C ILE A 79 4.823 -16.177 -5.179 1.00 0.00 C ATOM 1159 O ILE A 79 3.839 -16.662 -5.737 1.00 0.00 O ATOM 1160 CB ILE A 79 4.539 -13.744 -4.701 1.00 0.00 C ATOM 1161 CG1 ILE A 79 5.037 -12.330 -5.009 1.00 0.00 C ATOM 1162 CG2 ILE A 79 4.681 -14.049 -3.217 1.00 0.00 C ATOM 1163 CD1 ILE A 79 3.971 -11.268 -4.860 1.00 0.00 C ATOM 0 H ILE A 79 4.210 -14.426 -7.284 1.00 0.00 H new ATOM 0 HA ILE A 79 6.377 -14.698 -5.307 1.00 0.00 H new ATOM 0 HB ILE A 79 3.483 -13.804 -4.965 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.869 -12.094 -4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.425 -12.304 -6.027 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.127 -13.309 -2.639 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.284 -15.043 -3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.734 -14.014 -2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.395 -10.291 -5.094 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.149 -11.480 -5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.600 -11.266 -3.835 1.00 0.00 H new ATOM 1175 N ASP A 80 5.514 -16.819 -4.244 1.00 0.00 N ATOM 1176 CA ASP A 80 5.146 -18.161 -3.808 1.00 0.00 C ATOM 1177 C ASP A 80 5.163 -18.261 -2.286 1.00 0.00 C ATOM 1178 O ASP A 80 6.226 -18.346 -1.671 1.00 0.00 O ATOM 1179 CB ASP A 80 6.099 -19.194 -4.410 1.00 0.00 C ATOM 1180 CG ASP A 80 5.413 -20.514 -4.701 1.00 0.00 C ATOM 1181 OD1 ASP A 80 4.878 -20.671 -5.818 1.00 0.00 O ATOM 1182 OD2 ASP A 80 5.409 -21.391 -3.811 1.00 0.00 O ATOM 0 H ASP A 80 6.332 -16.432 -3.773 1.00 0.00 H new ATOM 0 HA ASP A 80 4.134 -18.365 -4.156 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.524 -18.798 -5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.928 -19.363 -3.723 1.00 0.00 H new ATOM 1187 N ARG A 81 3.978 -18.249 -1.684 1.00 0.00 N ATOM 1188 CA ARG A 81 3.856 -18.336 -0.234 1.00 0.00 C ATOM 1189 C ARG A 81 4.961 -19.210 0.353 1.00 0.00 C ATOM 1190 O ARG A 81 5.472 -18.935 1.438 1.00 0.00 O ATOM 1191 CB ARG A 81 2.487 -18.899 0.152 1.00 0.00 C ATOM 1192 CG ARG A 81 2.119 -18.663 1.607 1.00 0.00 C ATOM 1193 CD ARG A 81 2.869 -19.608 2.532 1.00 0.00 C ATOM 1194 NE ARG A 81 2.092 -19.940 3.723 1.00 0.00 N ATOM 1195 CZ ARG A 81 1.779 -19.058 4.666 1.00 0.00 C ATOM 1196 NH1 ARG A 81 2.174 -17.797 4.556 1.00 0.00 N ATOM 1197 NH2 ARG A 81 1.068 -19.436 5.720 1.00 0.00 N ATOM 0 H ARG A 81 3.089 -18.180 -2.178 1.00 0.00 H new ATOM 0 HA ARG A 81 3.956 -17.330 0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.726 -18.448 -0.484 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.475 -19.970 -0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.345 -17.632 1.878 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.046 -18.799 1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.115 -20.523 1.993 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.812 -19.150 2.831 1.00 0.00 H new ATOM 0 HE ARG A 81 1.772 -20.902 3.837 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.719 -17.502 3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.932 -17.122 5.281 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.761 -20.405 5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.828 -18.758 6.443 1.00 0.00 H new ATOM 1211 N GLU A 82 5.322 -20.264 -0.372 1.00 0.00 N ATOM 1212 CA GLU A 82 6.365 -21.179 0.078 1.00 0.00 C ATOM 1213 C GLU A 82 7.694 -20.448 0.248 1.00 0.00 C ATOM 1214 O GLU A 82 8.241 -20.383 1.349 1.00 0.00 O ATOM 1215 CB GLU A 82 6.529 -22.330 -0.917 1.00 0.00 C ATOM 1216 CG GLU A 82 5.595 -23.500 -0.652 1.00 0.00 C ATOM 1217 CD GLU A 82 6.012 -24.757 -1.390 1.00 0.00 C ATOM 1218 OE1 GLU A 82 7.171 -25.189 -1.220 1.00 0.00 O ATOM 1219 OE2 GLU A 82 5.177 -25.310 -2.137 1.00 0.00 O ATOM 0 H GLU A 82 4.908 -20.505 -1.273 1.00 0.00 H new ATOM 0 HA GLU A 82 6.065 -21.583 1.045 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.352 -21.956 -1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.560 -22.684 -0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.568 -23.704 0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.583 -23.227 -0.950 1.00 0.00 H new ATOM 1226 N GLU A 83 8.206 -19.899 -0.849 1.00 0.00 N ATOM 1227 CA GLU A 83 9.471 -19.174 -0.821 1.00 0.00 C ATOM 1228 C GLU A 83 9.417 -18.025 0.183 1.00 0.00 C ATOM 1229 O GLU A 83 10.404 -17.727 0.855 1.00 0.00 O ATOM 1230 CB GLU A 83 9.806 -18.635 -2.213 1.00 0.00 C ATOM 1231 CG GLU A 83 8.976 -17.426 -2.613 1.00 0.00 C ATOM 1232 CD GLU A 83 9.544 -16.702 -3.819 1.00 0.00 C ATOM 1233 OE1 GLU A 83 10.706 -16.251 -3.747 1.00 0.00 O ATOM 1234 OE2 GLU A 83 8.826 -16.587 -4.834 1.00 0.00 O ATOM 0 H GLU A 83 7.765 -19.942 -1.768 1.00 0.00 H new ATOM 0 HA GLU A 83 10.252 -19.868 -0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.862 -18.367 -2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.656 -19.427 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.957 -17.746 -2.832 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.919 -16.735 -1.772 1.00 0.00 H new ATOM 1241 N VAL A 84 8.257 -17.384 0.277 1.00 0.00 N ATOM 1242 CA VAL A 84 8.073 -16.268 1.198 1.00 0.00 C ATOM 1243 C VAL A 84 6.695 -16.314 1.848 1.00 0.00 C ATOM 1244 O VAL A 84 5.679 -16.446 1.167 1.00 0.00 O ATOM 1245 CB VAL A 84 8.245 -14.915 0.482 1.00 0.00 C ATOM 1246 CG1 VAL A 84 9.677 -14.747 -0.005 1.00 0.00 C ATOM 1247 CG2 VAL A 84 7.263 -14.795 -0.674 1.00 0.00 C ATOM 0 H VAL A 84 7.430 -17.618 -0.273 1.00 0.00 H new ATOM 0 HA VAL A 84 8.839 -16.363 1.968 1.00 0.00 H new ATOM 0 HB VAL A 84 8.032 -14.117 1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.780 -13.786 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.358 -14.786 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.921 -15.549 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.399 -13.833 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.442 -15.599 -1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.244 -14.867 -0.295 1.00 0.00 H new ATOM 1257 N ASN A 85 6.668 -16.205 3.173 1.00 0.00 N ATOM 1258 CA ASN A 85 5.414 -16.234 3.917 1.00 0.00 C ATOM 1259 C ASN A 85 4.913 -14.820 4.194 1.00 0.00 C ATOM 1260 O ASN A 85 3.708 -14.571 4.213 1.00 0.00 O ATOM 1261 CB ASN A 85 5.596 -16.990 5.235 1.00 0.00 C ATOM 1262 CG ASN A 85 6.949 -16.730 5.868 1.00 0.00 C ATOM 1263 OD1 ASN A 85 7.974 -17.217 5.392 1.00 0.00 O ATOM 1264 ND2 ASN A 85 6.957 -15.957 6.949 1.00 0.00 N ATOM 0 H ASN A 85 7.500 -16.096 3.753 1.00 0.00 H new ATOM 0 HA ASN A 85 4.672 -16.751 3.309 1.00 0.00 H new ATOM 0 HB2 ASN A 85 4.810 -16.696 5.931 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.481 -18.059 5.056 1.00 0.00 H new ATOM 0 HD21 ASN A 85 7.838 -15.746 7.419 1.00 0.00 H new ATOM 0 HD22 ASN A 85 6.083 -15.575 7.309 1.00 0.00 H new ATOM 1271 N GLN A 86 5.847 -13.898 4.407 1.00 0.00 N ATOM 1272 CA GLN A 86 5.499 -12.510 4.684 1.00 0.00 C ATOM 1273 C GLN A 86 6.487 -11.558 4.016 1.00 0.00 C ATOM 1274 O GLN A 86 7.670 -11.872 3.878 1.00 0.00 O ATOM 1275 CB GLN A 86 5.472 -12.259 6.192 1.00 0.00 C ATOM 1276 CG GLN A 86 4.685 -11.020 6.589 1.00 0.00 C ATOM 1277 CD GLN A 86 4.237 -11.052 8.037 1.00 0.00 C ATOM 1278 OE1 GLN A 86 4.378 -12.067 8.720 1.00 0.00 O ATOM 1279 NE2 GLN A 86 3.695 -9.938 8.514 1.00 0.00 N ATOM 0 H GLN A 86 6.849 -14.087 4.393 1.00 0.00 H new ATOM 0 HA GLN A 86 4.507 -12.322 4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.040 -13.128 6.689 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.495 -12.161 6.554 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.299 -10.135 6.422 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.811 -10.927 5.944 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.598 -9.120 7.912 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.376 -9.900 9.482 1.00 0.00 H new ATOM 1288 N LEU A 87 5.994 -10.396 3.604 1.00 0.00 N ATOM 1289 CA LEU A 87 6.834 -9.398 2.950 1.00 0.00 C ATOM 1290 C LEU A 87 6.749 -8.057 3.672 1.00 0.00 C ATOM 1291 O LEU A 87 5.773 -7.322 3.525 1.00 0.00 O ATOM 1292 CB LEU A 87 6.416 -9.230 1.488 1.00 0.00 C ATOM 1293 CG LEU A 87 6.851 -10.342 0.533 1.00 0.00 C ATOM 1294 CD1 LEU A 87 6.147 -10.200 -0.807 1.00 0.00 C ATOM 1295 CD2 LEU A 87 8.361 -10.325 0.348 1.00 0.00 C ATOM 0 H LEU A 87 5.018 -10.121 3.711 1.00 0.00 H new ATOM 0 HA LEU A 87 7.866 -9.746 2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.330 -9.149 1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.819 -8.286 1.122 1.00 0.00 H new ATOM 0 HG LEU A 87 6.569 -11.300 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.469 -11.000 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.069 -10.262 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.398 -9.236 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.653 -11.123 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.666 -9.364 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.847 -10.476 1.312 1.00 0.00 H new ATOM 1307 N ARG A 88 7.780 -7.745 4.451 1.00 0.00 N ATOM 1308 CA ARG A 88 7.822 -6.492 5.196 1.00 0.00 C ATOM 1309 C ARG A 88 8.968 -5.609 4.710 1.00 0.00 C ATOM 1310 O ARG A 88 10.128 -6.021 4.714 1.00 0.00 O ATOM 1311 CB ARG A 88 7.977 -6.768 6.693 1.00 0.00 C ATOM 1312 CG ARG A 88 6.653 -6.897 7.428 1.00 0.00 C ATOM 1313 CD ARG A 88 6.818 -7.634 8.748 1.00 0.00 C ATOM 1314 NE ARG A 88 7.087 -9.056 8.551 1.00 0.00 N ATOM 1315 CZ ARG A 88 7.189 -9.929 9.546 1.00 0.00 C ATOM 1316 NH1 ARG A 88 7.046 -9.528 10.802 1.00 0.00 N ATOM 1317 NH2 ARG A 88 7.435 -11.207 9.286 1.00 0.00 N ATOM 0 H ARG A 88 8.597 -8.342 4.583 1.00 0.00 H new ATOM 0 HA ARG A 88 6.883 -5.966 5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.549 -7.686 6.827 1.00 0.00 H new ATOM 0 HB3 ARG A 88 8.557 -5.963 7.144 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.240 -5.905 7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.937 -7.428 6.800 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.635 -7.186 9.314 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.914 -7.515 9.345 1.00 0.00 H new ATOM 0 HE ARG A 88 7.203 -9.397 7.597 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.857 -8.547 11.006 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.125 -10.201 11.564 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.546 -11.519 8.321 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.513 -11.877 10.051 1.00 0.00 H new ATOM 1331 N PHE A 89 8.634 -4.393 4.291 1.00 0.00 N ATOM 1332 CA PHE A 89 9.634 -3.452 3.800 1.00 0.00 C ATOM 1333 C PHE A 89 9.260 -2.019 4.168 1.00 0.00 C ATOM 1334 O PHE A 89 8.202 -1.770 4.747 1.00 0.00 O ATOM 1335 CB PHE A 89 9.783 -3.579 2.282 1.00 0.00 C ATOM 1336 CG PHE A 89 8.477 -3.504 1.544 1.00 0.00 C ATOM 1337 CD1 PHE A 89 7.667 -4.621 1.428 1.00 0.00 C ATOM 1338 CD2 PHE A 89 8.060 -2.315 0.966 1.00 0.00 C ATOM 1339 CE1 PHE A 89 6.465 -4.555 0.748 1.00 0.00 C ATOM 1340 CE2 PHE A 89 6.860 -2.243 0.285 1.00 0.00 C ATOM 1341 CZ PHE A 89 6.060 -3.364 0.177 1.00 0.00 C ATOM 0 H PHE A 89 7.679 -4.036 4.282 1.00 0.00 H new ATOM 0 HA PHE A 89 10.586 -3.693 4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.441 -2.788 1.922 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.268 -4.527 2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.978 -5.554 1.874 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.680 -1.435 1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.843 -5.434 0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.548 -1.311 -0.163 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.120 -3.309 -0.352 1.00 0.00 H new ATOM 1351 N THR A 90 10.137 -1.079 3.828 1.00 0.00 N ATOM 1352 CA THR A 90 9.901 0.328 4.124 1.00 0.00 C ATOM 1353 C THR A 90 10.102 1.192 2.883 1.00 0.00 C ATOM 1354 O THR A 90 11.002 0.943 2.081 1.00 0.00 O ATOM 1355 CB THR A 90 10.833 0.832 5.242 1.00 0.00 C ATOM 1356 OG1 THR A 90 10.974 -0.174 6.252 1.00 0.00 O ATOM 1357 CG2 THR A 90 10.292 2.110 5.864 1.00 0.00 C ATOM 0 H THR A 90 11.017 -1.267 3.348 1.00 0.00 H new ATOM 0 HA THR A 90 8.867 0.411 4.459 1.00 0.00 H new ATOM 0 HB THR A 90 11.808 1.046 4.803 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.569 0.153 6.959 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.968 2.446 6.651 1.00 0.00 H new ATOM 0 HG22 THR A 90 10.214 2.882 5.099 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.307 1.919 6.289 1.00 0.00 H new ATOM 1365 N VAL A 91 9.258 2.207 2.732 1.00 0.00 N ATOM 1366 CA VAL A 91 9.344 3.109 1.590 1.00 0.00 C ATOM 1367 C VAL A 91 9.584 4.546 2.041 1.00 0.00 C ATOM 1368 O VAL A 91 9.048 4.985 3.057 1.00 0.00 O ATOM 1369 CB VAL A 91 8.063 3.058 0.736 1.00 0.00 C ATOM 1370 CG1 VAL A 91 7.888 1.678 0.119 1.00 0.00 C ATOM 1371 CG2 VAL A 91 6.850 3.434 1.573 1.00 0.00 C ATOM 0 H VAL A 91 8.507 2.425 3.386 1.00 0.00 H new ATOM 0 HA VAL A 91 10.188 2.775 0.986 1.00 0.00 H new ATOM 0 HB VAL A 91 8.157 3.783 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.978 1.660 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.745 1.452 -0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.815 0.932 0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.954 3.393 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.750 2.735 2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.976 4.444 1.963 1.00 0.00 H new ATOM 1381 N MET A 92 10.392 5.273 1.276 1.00 0.00 N ATOM 1382 CA MET A 92 10.701 6.662 1.597 1.00 0.00 C ATOM 1383 C MET A 92 10.019 7.611 0.616 1.00 0.00 C ATOM 1384 O MET A 92 9.673 7.222 -0.499 1.00 0.00 O ATOM 1385 CB MET A 92 12.214 6.888 1.574 1.00 0.00 C ATOM 1386 CG MET A 92 12.878 6.692 2.928 1.00 0.00 C ATOM 1387 SD MET A 92 14.381 7.671 3.112 1.00 0.00 S ATOM 1388 CE MET A 92 15.225 7.287 1.580 1.00 0.00 C ATOM 0 H MET A 92 10.844 4.924 0.431 1.00 0.00 H new ATOM 0 HA MET A 92 10.324 6.870 2.598 1.00 0.00 H new ATOM 0 HB2 MET A 92 12.665 6.204 0.855 1.00 0.00 H new ATOM 0 HB3 MET A 92 12.417 7.899 1.222 1.00 0.00 H new ATOM 0 HG2 MET A 92 12.175 6.962 3.716 1.00 0.00 H new ATOM 0 HG3 MET A 92 13.117 5.637 3.062 1.00 0.00 H new ATOM 0 HE1 MET A 92 16.302 7.374 1.726 1.00 0.00 H new ATOM 0 HE2 MET A 92 14.981 6.269 1.276 1.00 0.00 H new ATOM 0 HE3 MET A 92 14.907 7.984 0.805 1.00 0.00 H new ATOM 1398 N ALA A 93 9.829 8.856 1.040 1.00 0.00 N ATOM 1399 CA ALA A 93 9.190 9.860 0.198 1.00 0.00 C ATOM 1400 C ALA A 93 9.868 11.217 0.352 1.00 0.00 C ATOM 1401 O ALA A 93 9.747 11.868 1.391 1.00 0.00 O ATOM 1402 CB ALA A 93 7.710 9.965 0.534 1.00 0.00 C ATOM 0 H ALA A 93 10.108 9.193 1.961 1.00 0.00 H new ATOM 0 HA ALA A 93 9.294 9.548 -0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.245 10.718 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.229 9.001 0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.594 10.251 1.579 1.00 0.00 H new ATOM 1408 N ARG A 94 10.581 11.639 -0.687 1.00 0.00 N ATOM 1409 CA ARG A 94 11.279 12.918 -0.666 1.00 0.00 C ATOM 1410 C ARG A 94 10.822 13.807 -1.819 1.00 0.00 C ATOM 1411 O ARG A 94 10.329 13.317 -2.835 1.00 0.00 O ATOM 1412 CB ARG A 94 12.791 12.700 -0.745 1.00 0.00 C ATOM 1413 CG ARG A 94 13.208 11.711 -1.822 1.00 0.00 C ATOM 1414 CD ARG A 94 14.614 11.996 -2.326 1.00 0.00 C ATOM 1415 NE ARG A 94 14.609 12.876 -3.492 1.00 0.00 N ATOM 1416 CZ ARG A 94 15.635 13.647 -3.834 1.00 0.00 C ATOM 1417 NH1 ARG A 94 16.742 13.647 -3.105 1.00 0.00 N ATOM 1418 NH2 ARG A 94 15.554 14.421 -4.909 1.00 0.00 N ATOM 0 H ARG A 94 10.690 11.113 -1.554 1.00 0.00 H new ATOM 0 HA ARG A 94 11.039 13.418 0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 94 13.278 13.657 -0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 94 13.149 12.345 0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.161 10.697 -1.424 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.505 11.760 -2.654 1.00 0.00 H new ATOM 0 HD2 ARG A 94 15.199 12.454 -1.529 1.00 0.00 H new ATOM 0 HD3 ARG A 94 15.105 11.057 -2.582 1.00 0.00 H new ATOM 0 HE ARG A 94 13.772 12.900 -4.075 1.00 0.00 H new ATOM 0 HH11 ARG A 94 16.808 13.053 -2.278 1.00 0.00 H new ATOM 0 HH12 ARG A 94 17.528 14.240 -3.371 1.00 0.00 H new ATOM 0 HH21 ARG A 94 14.704 14.424 -5.473 1.00 0.00 H new ATOM 0 HH22 ARG A 94 16.342 15.013 -5.172 1.00 0.00 H new ATOM 1520 N LYS A 101 13.398 16.212 2.752 1.00 0.00 N ATOM 1521 CA LYS A 101 12.695 15.515 3.822 1.00 0.00 C ATOM 1522 C LYS A 101 12.156 14.174 3.334 1.00 0.00 C ATOM 1523 O LYS A 101 11.461 14.104 2.319 1.00 0.00 O ATOM 1524 CB LYS A 101 11.546 16.376 4.352 1.00 0.00 C ATOM 1525 CG LYS A 101 11.108 16.007 5.758 1.00 0.00 C ATOM 1526 CD LYS A 101 12.136 16.433 6.793 1.00 0.00 C ATOM 1527 CE LYS A 101 12.202 17.947 6.923 1.00 0.00 C ATOM 1528 NZ LYS A 101 12.692 18.368 8.265 1.00 0.00 N ATOM 0 HA LYS A 101 13.404 15.331 4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.851 17.422 4.338 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.694 16.284 3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.151 16.481 5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.952 14.930 5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.885 15.994 7.759 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.117 16.048 6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.861 18.349 6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.213 18.370 6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.723 19.406 8.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.050 18.006 8.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.647 17.986 8.422 1.00 0.00 H new ATOM 1542 N THR A 102 12.478 13.110 4.064 1.00 0.00 N ATOM 1543 CA THR A 102 12.026 11.772 3.706 1.00 0.00 C ATOM 1544 C THR A 102 11.219 11.144 4.837 1.00 0.00 C ATOM 1545 O THR A 102 11.492 11.381 6.013 1.00 0.00 O ATOM 1546 CB THR A 102 13.212 10.851 3.364 1.00 0.00 C ATOM 1547 OG1 THR A 102 13.911 10.488 4.560 1.00 0.00 O ATOM 1548 CG2 THR A 102 14.168 11.536 2.399 1.00 0.00 C ATOM 0 H THR A 102 13.051 13.150 4.907 1.00 0.00 H new ATOM 0 HA THR A 102 11.392 11.877 2.826 1.00 0.00 H new ATOM 0 HB THR A 102 12.821 9.953 2.886 1.00 0.00 H new ATOM 0 HG1 THR A 102 14.229 9.564 4.485 1.00 0.00 H new ATOM 0 HG21 THR A 102 14.998 10.866 2.172 1.00 0.00 H new ATOM 0 HG22 THR A 102 13.640 11.784 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 102 14.552 12.449 2.854 1.00 0.00 H new ATOM 1556 N ASP A 103 10.225 10.341 4.472 1.00 0.00 N ATOM 1557 CA ASP A 103 9.378 9.677 5.457 1.00 0.00 C ATOM 1558 C ASP A 103 9.289 8.180 5.174 1.00 0.00 C ATOM 1559 O ASP A 103 8.933 7.765 4.071 1.00 0.00 O ATOM 1560 CB ASP A 103 7.979 10.293 5.456 1.00 0.00 C ATOM 1561 CG ASP A 103 7.449 10.525 4.055 1.00 0.00 C ATOM 1562 OD1 ASP A 103 8.111 11.248 3.282 1.00 0.00 O ATOM 1563 OD2 ASP A 103 6.372 9.983 3.731 1.00 0.00 O ATOM 0 H ASP A 103 9.986 10.134 3.502 1.00 0.00 H new ATOM 0 HA ASP A 103 9.827 9.817 6.440 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.296 9.637 5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 103 8.002 11.241 5.994 1.00 0.00 H new ATOM 1568 N LYS A 104 9.615 7.374 6.179 1.00 0.00 N ATOM 1569 CA LYS A 104 9.572 5.923 6.040 1.00 0.00 C ATOM 1570 C LYS A 104 8.192 5.382 6.402 1.00 0.00 C ATOM 1571 O LYS A 104 7.531 5.896 7.304 1.00 0.00 O ATOM 1572 CB LYS A 104 10.635 5.273 6.929 1.00 0.00 C ATOM 1573 CG LYS A 104 12.005 5.192 6.279 1.00 0.00 C ATOM 1574 CD LYS A 104 13.086 4.861 7.294 1.00 0.00 C ATOM 1575 CE LYS A 104 13.694 6.121 7.892 1.00 0.00 C ATOM 1576 NZ LYS A 104 12.971 6.558 9.118 1.00 0.00 N ATOM 0 H LYS A 104 9.912 7.701 7.098 1.00 0.00 H new ATOM 0 HA LYS A 104 9.778 5.677 4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.715 5.839 7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.309 4.268 7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.993 4.432 5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.236 6.142 5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.664 4.247 8.089 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.867 4.270 6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.741 5.939 8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.671 6.921 7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 13.611 7.116 9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 12.153 7.141 8.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 12.643 5.723 9.644 1.00 0.00 H new ATOM 1590 N ALA A 105 7.765 4.342 5.694 1.00 0.00 N ATOM 1591 CA ALA A 105 6.466 3.730 5.944 1.00 0.00 C ATOM 1592 C ALA A 105 6.537 2.213 5.801 1.00 0.00 C ATOM 1593 O ALA A 105 6.751 1.691 4.707 1.00 0.00 O ATOM 1594 CB ALA A 105 5.422 4.303 4.996 1.00 0.00 C ATOM 0 H ALA A 105 8.300 3.906 4.943 1.00 0.00 H new ATOM 0 HA ALA A 105 6.175 3.959 6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.457 3.837 5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.344 5.379 5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.717 4.103 3.966 1.00 0.00 H new ATOM 1600 N THR A 106 6.357 1.510 6.915 1.00 0.00 N ATOM 1601 CA THR A 106 6.402 0.053 6.915 1.00 0.00 C ATOM 1602 C THR A 106 5.205 -0.534 6.176 1.00 0.00 C ATOM 1603 O THR A 106 4.056 -0.272 6.529 1.00 0.00 O ATOM 1604 CB THR A 106 6.432 -0.508 8.349 1.00 0.00 C ATOM 1605 OG1 THR A 106 7.457 0.143 9.109 1.00 0.00 O ATOM 1606 CG2 THR A 106 6.678 -2.009 8.338 1.00 0.00 C ATOM 0 H THR A 106 6.179 1.926 7.829 1.00 0.00 H new ATOM 0 HA THR A 106 7.319 -0.235 6.401 1.00 0.00 H new ATOM 0 HB THR A 106 5.463 -0.318 8.810 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.468 -0.218 10.020 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.695 -2.382 9.362 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.880 -2.504 7.784 1.00 0.00 H new ATOM 0 HG23 THR A 106 7.635 -2.217 7.860 1.00 0.00 H new ATOM 1614 N VAL A 107 5.483 -1.331 5.149 1.00 0.00 N ATOM 1615 CA VAL A 107 4.428 -1.958 4.361 1.00 0.00 C ATOM 1616 C VAL A 107 4.329 -3.449 4.663 1.00 0.00 C ATOM 1617 O VAL A 107 5.136 -4.245 4.183 1.00 0.00 O ATOM 1618 CB VAL A 107 4.666 -1.765 2.852 1.00 0.00 C ATOM 1619 CG1 VAL A 107 3.592 -2.480 2.046 1.00 0.00 C ATOM 1620 CG2 VAL A 107 4.707 -0.285 2.504 1.00 0.00 C ATOM 0 H VAL A 107 6.429 -1.558 4.843 1.00 0.00 H new ATOM 0 HA VAL A 107 3.493 -1.472 4.639 1.00 0.00 H new ATOM 0 HB VAL A 107 5.631 -2.202 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.777 -2.332 0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.615 -3.546 2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.613 -2.075 2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.876 -0.167 1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.758 0.179 2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.516 0.196 3.054 1.00 0.00 H new ATOM 1630 N VAL A 108 3.333 -3.820 5.462 1.00 0.00 N ATOM 1631 CA VAL A 108 3.127 -5.217 5.827 1.00 0.00 C ATOM 1632 C VAL A 108 2.227 -5.921 4.817 1.00 0.00 C ATOM 1633 O VAL A 108 1.009 -5.744 4.825 1.00 0.00 O ATOM 1634 CB VAL A 108 2.504 -5.344 7.229 1.00 0.00 C ATOM 1635 CG1 VAL A 108 2.289 -6.806 7.588 1.00 0.00 C ATOM 1636 CG2 VAL A 108 3.380 -4.656 8.265 1.00 0.00 C ATOM 0 H VAL A 108 2.657 -3.173 5.868 1.00 0.00 H new ATOM 0 HA VAL A 108 4.108 -5.692 5.829 1.00 0.00 H new ATOM 0 HB VAL A 108 1.532 -4.850 7.222 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.848 -6.875 8.582 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.619 -7.264 6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.246 -7.328 7.578 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.925 -4.755 9.250 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.367 -5.119 8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.477 -3.599 8.015 1.00 0.00 H new ATOM 1646 N LEU A 109 2.836 -6.722 3.949 1.00 0.00 N ATOM 1647 CA LEU A 109 2.090 -7.456 2.933 1.00 0.00 C ATOM 1648 C LEU A 109 1.919 -8.918 3.331 1.00 0.00 C ATOM 1649 O LEU A 109 2.828 -9.729 3.157 1.00 0.00 O ATOM 1650 CB LEU A 109 2.803 -7.363 1.583 1.00 0.00 C ATOM 1651 CG LEU A 109 2.936 -5.961 0.988 1.00 0.00 C ATOM 1652 CD1 LEU A 109 3.712 -6.006 -0.319 1.00 0.00 C ATOM 1653 CD2 LEU A 109 1.563 -5.341 0.774 1.00 0.00 C ATOM 0 H LEU A 109 3.844 -6.879 3.929 1.00 0.00 H new ATOM 0 HA LEU A 109 1.101 -7.005 2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.802 -7.785 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.269 -7.990 0.869 1.00 0.00 H new ATOM 0 HG LEU A 109 3.488 -5.339 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.796 -4.999 -0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.709 -6.408 -0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.188 -6.643 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.676 -4.343 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.986 -5.963 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.042 -5.272 1.729 1.00 0.00 H new ATOM 1665 N ASN A 110 0.747 -9.248 3.865 1.00 0.00 N ATOM 1666 CA ASN A 110 0.457 -10.613 4.287 1.00 0.00 C ATOM 1667 C ASN A 110 0.176 -11.507 3.083 1.00 0.00 C ATOM 1668 O ASN A 110 -0.746 -11.250 2.308 1.00 0.00 O ATOM 1669 CB ASN A 110 -0.741 -10.631 5.239 1.00 0.00 C ATOM 1670 CG ASN A 110 -0.413 -10.029 6.592 1.00 0.00 C ATOM 1671 OD1 ASN A 110 0.153 -10.695 7.459 1.00 0.00 O ATOM 1672 ND2 ASN A 110 -0.769 -8.763 6.778 1.00 0.00 N ATOM 0 H ASN A 110 -0.017 -8.589 4.015 1.00 0.00 H new ATOM 0 HA ASN A 110 1.333 -10.999 4.808 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.567 -10.080 4.790 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.079 -11.658 5.374 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.575 -8.304 7.668 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.236 -8.250 6.031 1.00 0.00 H new ATOM 1679 N ILE A 111 0.977 -12.556 2.932 1.00 0.00 N ATOM 1680 CA ILE A 111 0.814 -13.488 1.824 1.00 0.00 C ATOM 1681 C ILE A 111 -0.416 -14.367 2.021 1.00 0.00 C ATOM 1682 O ILE A 111 -0.394 -15.321 2.800 1.00 0.00 O ATOM 1683 CB ILE A 111 2.053 -14.389 1.658 1.00 0.00 C ATOM 1684 CG1 ILE A 111 3.330 -13.545 1.677 1.00 0.00 C ATOM 1685 CG2 ILE A 111 1.958 -15.188 0.367 1.00 0.00 C ATOM 1686 CD1 ILE A 111 3.450 -12.606 0.497 1.00 0.00 C ATOM 0 H ILE A 111 1.746 -12.782 3.563 1.00 0.00 H new ATOM 0 HA ILE A 111 0.688 -12.887 0.923 1.00 0.00 H new ATOM 0 HB ILE A 111 2.090 -15.089 2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 111 3.358 -12.963 2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 111 4.195 -14.209 1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.840 -15.819 0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 111 1.065 -15.813 0.391 1.00 0.00 H new ATOM 0 HG23 ILE A 111 1.900 -14.505 -0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 111 4.378 -12.040 0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 111 3.454 -13.183 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.605 -11.918 0.492 1.00 0.00 H new ATOM 1698 N LYS A 112 -1.489 -14.041 1.309 1.00 0.00 N ATOM 1699 CA LYS A 112 -2.730 -14.802 1.402 1.00 0.00 C ATOM 1700 C LYS A 112 -2.648 -16.079 0.572 1.00 0.00 C ATOM 1701 O LYS A 112 -1.817 -16.193 -0.329 1.00 0.00 O ATOM 1702 CB LYS A 112 -3.911 -13.950 0.931 1.00 0.00 C ATOM 1703 CG LYS A 112 -4.134 -12.703 1.770 1.00 0.00 C ATOM 1704 CD LYS A 112 -4.959 -13.005 3.009 1.00 0.00 C ATOM 1705 CE LYS A 112 -6.446 -13.050 2.692 1.00 0.00 C ATOM 1706 NZ LYS A 112 -7.262 -13.353 3.901 1.00 0.00 N ATOM 0 H LYS A 112 -1.525 -13.254 0.661 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.881 -15.077 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.745 -13.656 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.816 -14.557 0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.172 -12.285 2.066 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.640 -11.946 1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.647 -13.960 3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.770 -12.245 3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.757 -12.093 2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.632 -13.806 1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.269 -13.375 3.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.983 -14.278 4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.104 -12.618 4.619 1.00 0.00 H new ATOM 1720 N ASP A 113 -3.517 -17.036 0.881 1.00 0.00 N ATOM 1721 CA ASP A 113 -3.545 -18.304 0.161 1.00 0.00 C ATOM 1722 C ASP A 113 -4.871 -18.485 -0.570 1.00 0.00 C ATOM 1723 O ASP A 113 -5.825 -19.033 -0.018 1.00 0.00 O ATOM 1724 CB ASP A 113 -3.318 -19.468 1.128 1.00 0.00 C ATOM 1725 CG ASP A 113 -1.912 -19.483 1.695 1.00 0.00 C ATOM 1726 OD1 ASP A 113 -1.333 -18.391 1.876 1.00 0.00 O ATOM 1727 OD2 ASP A 113 -1.391 -20.587 1.959 1.00 0.00 O ATOM 0 H ASP A 113 -4.211 -16.958 1.625 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.743 -18.293 -0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.036 -19.403 1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.508 -20.409 0.611 1.00 0.00 H new