USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 408 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 HIS : no HE2:sc= -1.79 X(o=-1.8,f=-1.6) USER MOD Set 1.2: A 42 GLN : amide:sc= -0.0221 X(o=-1.8,f=-1.6) USER MOD Set 1.3: A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -13:sc= 0.445 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00315 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 72:sc= 0.112 USER MOD Single : A 49 LYS NZ :NH3+ 163:sc= -0.017 (180deg=-0.209) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N LYS A 12 -7.272 8.545 10.087 1.00 0.00 N ATOM 133 CA LYS A 12 -5.930 8.493 9.518 1.00 0.00 C ATOM 134 C LYS A 12 -5.988 8.329 8.003 1.00 0.00 C ATOM 135 O LYS A 12 -5.224 8.959 7.271 1.00 0.00 O ATOM 136 CB LYS A 12 -5.136 7.341 10.137 1.00 0.00 C ATOM 137 CG LYS A 12 -3.640 7.597 10.198 1.00 0.00 C ATOM 138 CD LYS A 12 -2.868 6.324 10.502 1.00 0.00 C ATOM 139 CE LYS A 12 -1.465 6.369 9.915 1.00 0.00 C ATOM 140 NZ LYS A 12 -0.562 7.250 10.705 1.00 0.00 N ATOM 0 HA LYS A 12 -5.429 9.434 9.745 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.506 7.157 11.146 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.318 6.434 9.560 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.302 8.011 9.248 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.429 8.343 10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.808 6.183 11.581 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.405 5.466 10.098 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.052 5.361 9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.513 6.727 8.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.384 7.254 10.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.942 8.218 10.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.496 6.894 11.680 1.00 0.00 H new ATOM 154 N PHE A 13 -6.898 7.480 7.538 1.00 0.00 N ATOM 155 CA PHE A 13 -7.056 7.234 6.110 1.00 0.00 C ATOM 156 C PHE A 13 -8.517 7.368 5.692 1.00 0.00 C ATOM 157 O PHE A 13 -9.402 6.753 6.286 1.00 0.00 O ATOM 158 CB PHE A 13 -6.537 5.840 5.751 1.00 0.00 C ATOM 159 CG PHE A 13 -5.250 5.484 6.438 1.00 0.00 C ATOM 160 CD1 PHE A 13 -4.061 6.093 6.069 1.00 0.00 C ATOM 161 CD2 PHE A 13 -5.229 4.541 7.453 1.00 0.00 C ATOM 162 CE1 PHE A 13 -2.875 5.766 6.700 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.046 4.211 8.087 1.00 0.00 C ATOM 164 CZ PHE A 13 -2.868 4.825 7.711 1.00 0.00 C ATOM 0 H PHE A 13 -7.538 6.950 8.130 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.473 7.982 5.572 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.295 5.101 6.011 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.392 5.782 4.672 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.061 6.831 5.280 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.148 4.058 7.752 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.954 6.246 6.402 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.043 3.473 8.876 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.943 4.570 8.206 1.00 0.00 H new ATOM 174 N ALA A 14 -8.762 8.179 4.668 1.00 0.00 N ATOM 175 CA ALA A 14 -10.115 8.393 4.169 1.00 0.00 C ATOM 176 C ALA A 14 -10.517 7.301 3.184 1.00 0.00 C ATOM 177 O ALA A 14 -9.692 6.818 2.408 1.00 0.00 O ATOM 178 CB ALA A 14 -10.226 9.763 3.517 1.00 0.00 C ATOM 0 H ALA A 14 -8.041 8.699 4.168 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.799 8.350 5.016 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.241 9.910 3.149 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.991 10.535 4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.525 9.828 2.684 1.00 0.00 H new ATOM 184 N ASP A 15 -11.787 6.916 3.220 1.00 0.00 N ATOM 185 CA ASP A 15 -12.299 5.881 2.330 1.00 0.00 C ATOM 186 C ASP A 15 -11.940 6.186 0.879 1.00 0.00 C ATOM 187 O ASP A 15 -12.296 7.238 0.349 1.00 0.00 O ATOM 188 CB ASP A 15 -13.816 5.755 2.477 1.00 0.00 C ATOM 189 CG ASP A 15 -14.231 5.373 3.884 1.00 0.00 C ATOM 190 OD1 ASP A 15 -13.612 4.451 4.455 1.00 0.00 O ATOM 191 OD2 ASP A 15 -15.175 5.996 4.414 1.00 0.00 O ATOM 0 H ASP A 15 -12.482 7.306 3.857 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.835 4.935 2.610 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.284 6.702 2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.185 5.006 1.776 1.00 0.00 H new ATOM 196 N GLY A 16 -11.230 5.259 0.242 1.00 0.00 N ATOM 197 CA GLY A 16 -10.834 5.449 -1.141 1.00 0.00 C ATOM 198 C GLY A 16 -9.467 6.091 -1.269 1.00 0.00 C ATOM 199 O GLY A 16 -8.834 6.013 -2.322 1.00 0.00 O ATOM 0 H GLY A 16 -10.922 4.381 0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.829 4.485 -1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.573 6.072 -1.645 1.00 0.00 H new ATOM 203 N GLU A 17 -9.011 6.730 -0.196 1.00 0.00 N ATOM 204 CA GLU A 17 -7.711 7.391 -0.195 1.00 0.00 C ATOM 205 C GLU A 17 -6.596 6.397 -0.505 1.00 0.00 C ATOM 206 O GLU A 17 -6.608 5.263 -0.026 1.00 0.00 O ATOM 207 CB GLU A 17 -7.454 8.057 1.158 1.00 0.00 C ATOM 208 CG GLU A 17 -6.389 9.140 1.111 1.00 0.00 C ATOM 209 CD GLU A 17 -5.897 9.535 2.489 1.00 0.00 C ATOM 210 OE1 GLU A 17 -5.315 8.673 3.181 1.00 0.00 O ATOM 211 OE2 GLU A 17 -6.093 10.706 2.876 1.00 0.00 O ATOM 0 H GLU A 17 -9.522 6.804 0.683 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.720 8.155 -0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.385 8.491 1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.154 7.295 1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.546 8.790 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.792 10.019 0.608 1.00 0.00 H new ATOM 218 N VAL A 18 -5.632 6.831 -1.311 1.00 0.00 N ATOM 219 CA VAL A 18 -4.508 5.981 -1.686 1.00 0.00 C ATOM 220 C VAL A 18 -3.359 6.121 -0.695 1.00 0.00 C ATOM 221 O VAL A 18 -2.672 7.142 -0.663 1.00 0.00 O ATOM 222 CB VAL A 18 -3.997 6.317 -3.099 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.921 5.331 -3.527 1.00 0.00 C ATOM 224 CG2 VAL A 18 -5.148 6.328 -4.094 1.00 0.00 C ATOM 0 H VAL A 18 -5.607 7.766 -1.717 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.871 4.953 -1.674 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.555 7.313 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.572 5.585 -4.528 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.085 5.379 -2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.333 4.322 -3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.768 6.567 -5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.622 5.346 -4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.880 7.078 -3.795 1.00 0.00 H new ATOM 234 N VAL A 19 -3.153 5.086 0.115 1.00 0.00 N ATOM 235 CA VAL A 19 -2.085 5.093 1.108 1.00 0.00 C ATOM 236 C VAL A 19 -1.140 3.914 0.905 1.00 0.00 C ATOM 237 O VAL A 19 -1.345 3.086 0.017 1.00 0.00 O ATOM 238 CB VAL A 19 -2.650 5.044 2.540 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.413 6.321 2.857 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.539 3.823 2.720 1.00 0.00 C ATOM 0 H VAL A 19 -3.712 4.233 0.103 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.534 6.024 0.975 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.817 4.964 3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.805 6.268 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.743 7.176 2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.239 6.435 2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.930 3.804 3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.368 3.869 2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.957 2.919 2.538 1.00 0.00 H new ATOM 250 N ARG A 20 -0.105 3.844 1.735 1.00 0.00 N ATOM 251 CA ARG A 20 0.873 2.766 1.647 1.00 0.00 C ATOM 252 C ARG A 20 0.552 1.657 2.644 1.00 0.00 C ATOM 253 O ARG A 20 0.258 1.922 3.809 1.00 0.00 O ATOM 254 CB ARG A 20 2.282 3.305 1.903 1.00 0.00 C ATOM 255 CG ARG A 20 2.617 4.545 1.091 1.00 0.00 C ATOM 256 CD ARG A 20 3.101 4.184 -0.304 1.00 0.00 C ATOM 257 NE ARG A 20 3.016 5.315 -1.223 1.00 0.00 N ATOM 258 CZ ARG A 20 1.869 5.861 -1.612 1.00 0.00 C ATOM 259 NH1 ARG A 20 0.717 5.382 -1.163 1.00 0.00 N ATOM 260 NH2 ARG A 20 1.873 6.889 -2.451 1.00 0.00 N ATOM 0 H ARG A 20 0.078 4.521 2.476 1.00 0.00 H new ATOM 0 HA ARG A 20 0.828 2.350 0.641 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.386 3.536 2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.008 2.524 1.674 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.736 5.182 1.018 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.385 5.122 1.606 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.133 3.837 -0.251 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.506 3.357 -0.691 1.00 0.00 H new ATOM 0 HE ARG A 20 3.885 5.707 -1.586 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.710 4.592 -0.517 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.162 5.803 -1.463 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.757 7.261 -2.798 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.992 7.307 -2.749 1.00 0.00 H new ATOM 274 N GLY A 21 0.610 0.413 2.178 1.00 0.00 N ATOM 275 CA GLY A 21 0.322 -0.717 3.042 1.00 0.00 C ATOM 276 C GLY A 21 1.444 -1.737 3.056 1.00 0.00 C ATOM 277 O GLY A 21 1.844 -2.244 2.008 1.00 0.00 O ATOM 0 H GLY A 21 0.851 0.168 1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.148 -0.359 4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.598 -1.198 2.711 1.00 0.00 H new ATOM 281 N ARG A 22 1.953 -2.037 4.246 1.00 0.00 N ATOM 282 CA ARG A 22 3.038 -3.000 4.391 1.00 0.00 C ATOM 283 C ARG A 22 2.527 -4.426 4.206 1.00 0.00 C ATOM 284 O ARG A 22 1.870 -4.980 5.087 1.00 0.00 O ATOM 285 CB ARG A 22 3.695 -2.857 5.765 1.00 0.00 C ATOM 286 CG ARG A 22 4.687 -3.963 6.085 1.00 0.00 C ATOM 287 CD ARG A 22 5.425 -3.691 7.386 1.00 0.00 C ATOM 288 NE ARG A 22 4.727 -4.255 8.539 1.00 0.00 N ATOM 289 CZ ARG A 22 5.139 -4.104 9.793 1.00 0.00 C ATOM 290 NH1 ARG A 22 6.239 -3.411 10.054 1.00 0.00 N ATOM 291 NH2 ARG A 22 4.451 -4.647 10.788 1.00 0.00 N ATOM 0 H ARG A 22 1.632 -1.628 5.123 1.00 0.00 H new ATOM 0 HA ARG A 22 3.779 -2.794 3.618 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.207 -1.896 5.815 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.919 -2.845 6.530 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.161 -4.915 6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.405 -4.056 5.271 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.429 -4.112 7.328 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.538 -2.615 7.521 1.00 0.00 H new ATOM 0 HE ARG A 22 3.877 -4.794 8.372 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.771 -2.992 9.291 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.553 -3.297 11.018 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.605 -5.181 10.591 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.768 -4.531 11.750 1.00 0.00 H new ATOM 305 N TRP A 23 2.833 -5.013 3.055 1.00 0.00 N ATOM 306 CA TRP A 23 2.405 -6.375 2.754 1.00 0.00 C ATOM 307 C TRP A 23 2.397 -7.234 4.013 1.00 0.00 C ATOM 308 O TRP A 23 3.293 -7.154 4.853 1.00 0.00 O ATOM 309 CB TRP A 23 3.322 -6.999 1.701 1.00 0.00 C ATOM 310 CG TRP A 23 2.733 -8.210 1.043 1.00 0.00 C ATOM 311 CD1 TRP A 23 3.069 -9.513 1.274 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.706 -8.229 0.045 1.00 0.00 C ATOM 313 NE1 TRP A 23 2.313 -10.342 0.480 1.00 0.00 N ATOM 314 CE2 TRP A 23 1.469 -9.578 -0.283 1.00 0.00 C ATOM 315 CE3 TRP A 23 0.964 -7.238 -0.602 1.00 0.00 C ATOM 316 CZ2 TRP A 23 0.522 -9.959 -1.229 1.00 0.00 C ATOM 317 CZ3 TRP A 23 0.024 -7.617 -1.542 1.00 0.00 C ATOM 318 CH2 TRP A 23 -0.191 -8.968 -1.848 1.00 0.00 C ATOM 0 H TRP A 23 3.376 -4.568 2.315 1.00 0.00 H new ATOM 0 HA TRP A 23 1.389 -6.331 2.361 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.548 -6.254 0.938 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.268 -7.272 2.169 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.819 -9.844 1.977 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.371 -11.360 0.462 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.122 -6.195 -0.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 0.356 -10.999 -1.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.555 -6.859 -2.049 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.934 -9.232 -2.586 1.00 0.00 H new ATOM 329 N PRO A 24 1.362 -8.076 4.150 1.00 0.00 N ATOM 330 CA PRO A 24 1.213 -8.967 5.304 1.00 0.00 C ATOM 331 C PRO A 24 2.251 -10.085 5.311 1.00 0.00 C ATOM 332 O PRO A 24 2.234 -10.956 6.180 1.00 0.00 O ATOM 333 CB PRO A 24 -0.193 -9.544 5.128 1.00 0.00 C ATOM 334 CG PRO A 24 -0.459 -9.457 3.665 1.00 0.00 C ATOM 335 CD PRO A 24 0.257 -8.224 3.187 1.00 0.00 C ATOM 0 HA PRO A 24 1.357 -8.440 6.247 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.244 -10.575 5.479 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.928 -8.976 5.698 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.094 -10.345 3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.529 -9.389 3.466 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.625 -8.343 2.168 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.398 -7.353 3.190 1.00 0.00 H new ATOM 343 N GLY A 25 3.154 -10.054 4.335 1.00 0.00 N ATOM 344 CA GLY A 25 4.186 -11.070 4.248 1.00 0.00 C ATOM 345 C GLY A 25 5.528 -10.499 3.832 1.00 0.00 C ATOM 346 O GLY A 25 6.301 -11.157 3.135 1.00 0.00 O ATOM 0 H GLY A 25 3.189 -9.344 3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.288 -11.563 5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.881 -11.833 3.531 1.00 0.00 H new ATOM 350 N SER A 26 5.804 -9.271 4.258 1.00 0.00 N ATOM 351 CA SER A 26 7.059 -8.610 3.921 1.00 0.00 C ATOM 352 C SER A 26 7.259 -7.358 4.770 1.00 0.00 C ATOM 353 O SER A 26 6.400 -6.997 5.575 1.00 0.00 O ATOM 354 CB SER A 26 7.083 -8.241 2.436 1.00 0.00 C ATOM 355 OG SER A 26 8.408 -8.241 1.932 1.00 0.00 O ATOM 0 H SER A 26 5.176 -8.714 4.837 1.00 0.00 H new ATOM 0 HA SER A 26 7.873 -9.304 4.130 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.476 -8.949 1.872 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.637 -7.256 2.295 1.00 0.00 H new ATOM 0 HG SER A 26 8.396 -8.004 0.981 1.00 0.00 H new ATOM 361 N SER A 27 8.399 -6.700 4.585 1.00 0.00 N ATOM 362 CA SER A 27 8.715 -5.491 5.336 1.00 0.00 C ATOM 363 C SER A 27 8.815 -4.285 4.407 1.00 0.00 C ATOM 364 O SER A 27 9.595 -3.363 4.649 1.00 0.00 O ATOM 365 CB SER A 27 10.027 -5.669 6.102 1.00 0.00 C ATOM 366 OG SER A 27 11.107 -5.903 5.216 1.00 0.00 O ATOM 0 H SER A 27 9.119 -6.984 3.921 1.00 0.00 H new ATOM 0 HA SER A 27 7.908 -5.314 6.048 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.228 -4.778 6.698 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.936 -6.504 6.797 1.00 0.00 H new ATOM 0 HG SER A 27 11.934 -6.012 5.730 1.00 0.00 H new ATOM 372 N LEU A 28 8.020 -4.299 3.342 1.00 0.00 N ATOM 373 CA LEU A 28 8.018 -3.207 2.375 1.00 0.00 C ATOM 374 C LEU A 28 6.613 -2.639 2.198 1.00 0.00 C ATOM 375 O LEU A 28 5.623 -3.363 2.297 1.00 0.00 O ATOM 376 CB LEU A 28 8.558 -3.691 1.028 1.00 0.00 C ATOM 377 CG LEU A 28 9.938 -4.348 1.056 1.00 0.00 C ATOM 378 CD1 LEU A 28 10.174 -5.149 -0.216 1.00 0.00 C ATOM 379 CD2 LEU A 28 11.025 -3.299 1.237 1.00 0.00 C ATOM 0 H LEU A 28 7.369 -5.054 3.127 1.00 0.00 H new ATOM 0 HA LEU A 28 8.665 -2.416 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.847 -4.403 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.596 -2.840 0.348 1.00 0.00 H new ATOM 0 HG LEU A 28 9.976 -5.032 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.161 -5.609 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.414 -5.926 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.116 -4.486 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.000 -3.785 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.988 -2.590 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.867 -2.769 2.176 1.00 0.00 H new ATOM 391 N TYR A 29 6.536 -1.339 1.934 1.00 0.00 N ATOM 392 CA TYR A 29 5.252 -0.674 1.743 1.00 0.00 C ATOM 393 C TYR A 29 4.993 -0.404 0.264 1.00 0.00 C ATOM 394 O TYR A 29 5.894 -0.002 -0.473 1.00 0.00 O ATOM 395 CB TYR A 29 5.214 0.640 2.527 1.00 0.00 C ATOM 396 CG TYR A 29 5.456 0.468 4.009 1.00 0.00 C ATOM 397 CD1 TYR A 29 6.737 0.263 4.505 1.00 0.00 C ATOM 398 CD2 TYR A 29 4.402 0.510 4.914 1.00 0.00 C ATOM 399 CE1 TYR A 29 6.963 0.105 5.859 1.00 0.00 C ATOM 400 CE2 TYR A 29 4.618 0.354 6.270 1.00 0.00 C ATOM 401 CZ TYR A 29 5.900 0.151 6.737 1.00 0.00 C ATOM 402 OH TYR A 29 6.121 -0.005 8.086 1.00 0.00 O ATOM 0 H TYR A 29 7.346 -0.726 1.847 1.00 0.00 H new ATOM 0 HA TYR A 29 4.470 -1.335 2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.965 1.317 2.121 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.244 1.114 2.378 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.571 0.226 3.820 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.397 0.667 4.551 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.966 -0.054 6.228 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.788 0.391 6.960 1.00 0.00 H new ATOM 0 HH TYR A 29 5.269 0.054 8.566 1.00 0.00 H new ATOM 412 N TYR A 30 3.755 -0.628 -0.163 1.00 0.00 N ATOM 413 CA TYR A 30 3.376 -0.412 -1.554 1.00 0.00 C ATOM 414 C TYR A 30 2.152 0.493 -1.650 1.00 0.00 C ATOM 415 O TYR A 30 1.439 0.697 -0.668 1.00 0.00 O ATOM 416 CB TYR A 30 3.091 -1.749 -2.241 1.00 0.00 C ATOM 417 CG TYR A 30 4.298 -2.656 -2.325 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.251 -2.485 -3.321 1.00 0.00 C ATOM 419 CD2 TYR A 30 4.484 -3.684 -1.409 1.00 0.00 C ATOM 420 CE1 TYR A 30 6.355 -3.312 -3.402 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.585 -4.514 -1.481 1.00 0.00 C ATOM 422 CZ TYR A 30 6.518 -4.325 -2.480 1.00 0.00 C ATOM 423 OH TYR A 30 7.616 -5.151 -2.556 1.00 0.00 O ATOM 0 H TYR A 30 2.997 -0.959 0.434 1.00 0.00 H new ATOM 0 HA TYR A 30 4.209 0.078 -2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.297 -2.264 -1.700 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.719 -1.559 -3.248 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.127 -1.692 -4.044 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.755 -3.836 -0.627 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.086 -3.166 -4.183 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.715 -5.307 -0.759 1.00 0.00 H new ATOM 0 HH TYR A 30 7.580 -5.810 -1.832 1.00 0.00 H new ATOM 433 N GLU A 31 1.915 1.032 -2.842 1.00 0.00 N ATOM 434 CA GLU A 31 0.777 1.916 -3.068 1.00 0.00 C ATOM 435 C GLU A 31 -0.528 1.125 -3.099 1.00 0.00 C ATOM 436 O GLU A 31 -0.752 0.310 -3.995 1.00 0.00 O ATOM 437 CB GLU A 31 0.952 2.685 -4.379 1.00 0.00 C ATOM 438 CG GLU A 31 -0.265 3.507 -4.769 1.00 0.00 C ATOM 439 CD GLU A 31 0.016 4.456 -5.918 1.00 0.00 C ATOM 440 OE1 GLU A 31 0.747 4.059 -6.850 1.00 0.00 O ATOM 441 OE2 GLU A 31 -0.493 5.596 -5.885 1.00 0.00 O ATOM 0 H GLU A 31 2.495 0.872 -3.665 1.00 0.00 H new ATOM 0 HA GLU A 31 0.732 2.626 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.814 3.347 -4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.174 1.978 -5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.078 2.836 -5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.605 4.079 -3.905 1.00 0.00 H new ATOM 448 N VAL A 32 -1.387 1.372 -2.115 1.00 0.00 N ATOM 449 CA VAL A 32 -2.670 0.684 -2.029 1.00 0.00 C ATOM 450 C VAL A 32 -3.799 1.664 -1.730 1.00 0.00 C ATOM 451 O VAL A 32 -3.568 2.745 -1.189 1.00 0.00 O ATOM 452 CB VAL A 32 -2.650 -0.408 -0.943 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.656 -1.501 -1.303 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.321 0.197 0.413 1.00 0.00 C ATOM 0 H VAL A 32 -1.218 2.043 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.845 0.217 -2.998 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.642 -0.857 -0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.656 -2.264 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.940 -1.953 -2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.658 -1.071 -1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.311 -0.588 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.341 0.673 0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.075 0.941 0.672 1.00 0.00 H new ATOM 464 N GLU A 33 -5.020 1.276 -2.084 1.00 0.00 N ATOM 465 CA GLU A 33 -6.186 2.121 -1.853 1.00 0.00 C ATOM 466 C GLU A 33 -6.997 1.616 -0.663 1.00 0.00 C ATOM 467 O GLU A 33 -7.008 0.420 -0.369 1.00 0.00 O ATOM 468 CB GLU A 33 -7.067 2.167 -3.103 1.00 0.00 C ATOM 469 CG GLU A 33 -8.523 2.486 -2.810 1.00 0.00 C ATOM 470 CD GLU A 33 -9.315 2.803 -4.064 1.00 0.00 C ATOM 471 OE1 GLU A 33 -9.012 2.210 -5.121 1.00 0.00 O ATOM 472 OE2 GLU A 33 -10.236 3.643 -3.990 1.00 0.00 O ATOM 0 H GLU A 33 -5.227 0.383 -2.531 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.834 3.128 -1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.671 2.916 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.010 1.205 -3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.981 1.639 -2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.575 3.335 -2.128 1.00 0.00 H new ATOM 479 N ILE A 34 -7.675 2.534 0.016 1.00 0.00 N ATOM 480 CA ILE A 34 -8.489 2.182 1.173 1.00 0.00 C ATOM 481 C ILE A 34 -9.893 1.764 0.750 1.00 0.00 C ATOM 482 O ILE A 34 -10.602 2.517 0.082 1.00 0.00 O ATOM 483 CB ILE A 34 -8.592 3.354 2.167 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.201 3.760 2.657 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.484 2.976 3.340 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.539 2.716 3.528 1.00 0.00 C ATOM 0 H ILE A 34 -7.677 3.528 -0.215 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.995 1.343 1.663 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.039 4.207 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.565 3.959 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.280 4.692 3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.547 3.814 4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.481 2.731 2.975 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.063 2.111 3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.556 3.071 3.839 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.154 2.534 4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.428 1.789 2.965 1.00 0.00 H new ATOM 498 N LEU A 35 -10.289 0.559 1.145 1.00 0.00 N ATOM 499 CA LEU A 35 -11.611 0.040 0.808 1.00 0.00 C ATOM 500 C LEU A 35 -12.582 0.230 1.969 1.00 0.00 C ATOM 501 O LEU A 35 -13.687 0.743 1.789 1.00 0.00 O ATOM 502 CB LEU A 35 -11.520 -1.443 0.442 1.00 0.00 C ATOM 503 CG LEU A 35 -10.454 -1.816 -0.588 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.390 -3.324 -0.769 1.00 0.00 C ATOM 505 CD2 LEU A 35 -10.734 -1.129 -1.917 1.00 0.00 C ATOM 0 H LEU A 35 -9.715 -0.077 1.698 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.986 0.598 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.330 -2.010 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.491 -1.763 0.063 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.486 -1.474 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.625 -3.570 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.142 -3.794 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.357 -3.690 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.965 -1.406 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.710 -1.440 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.727 -0.048 -1.776 1.00 0.00 H new ATOM 517 N SER A 36 -12.162 -0.184 3.160 1.00 0.00 N ATOM 518 CA SER A 36 -12.996 -0.060 4.350 1.00 0.00 C ATOM 519 C SER A 36 -12.157 -0.200 5.617 1.00 0.00 C ATOM 520 O SER A 36 -10.963 -0.492 5.556 1.00 0.00 O ATOM 521 CB SER A 36 -14.100 -1.118 4.336 1.00 0.00 C ATOM 522 OG SER A 36 -14.912 -0.994 3.182 1.00 0.00 O ATOM 0 H SER A 36 -11.249 -0.608 3.327 1.00 0.00 H new ATOM 0 HA SER A 36 -13.452 0.930 4.344 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.655 -2.113 4.366 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.716 -1.017 5.230 1.00 0.00 H new ATOM 0 HG SER A 36 -14.730 -0.136 2.744 1.00 0.00 H new ATOM 528 N HIS A 37 -12.793 0.012 6.765 1.00 0.00 N ATOM 529 CA HIS A 37 -12.107 -0.091 8.048 1.00 0.00 C ATOM 530 C HIS A 37 -12.945 -0.877 9.051 1.00 0.00 C ATOM 531 O HIS A 37 -14.053 -0.471 9.403 1.00 0.00 O ATOM 532 CB HIS A 37 -11.803 1.302 8.601 1.00 0.00 C ATOM 533 CG HIS A 37 -11.444 1.305 10.055 1.00 0.00 C ATOM 534 ND1 HIS A 37 -11.695 2.373 10.890 1.00 0.00 N ATOM 535 CD2 HIS A 37 -10.852 0.360 10.822 1.00 0.00 C ATOM 536 CE1 HIS A 37 -11.271 2.086 12.108 1.00 0.00 C ATOM 537 NE2 HIS A 37 -10.755 0.870 12.094 1.00 0.00 N ATOM 0 H HIS A 37 -13.781 0.256 6.833 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.169 -0.623 7.889 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.982 1.738 8.032 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.672 1.942 8.449 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -12.139 3.248 10.611 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -10.518 -0.614 10.495 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -11.335 2.735 12.969 1.00 0.00 H new ATOM 546 N ASP A 38 -12.410 -2.004 9.508 1.00 0.00 N ATOM 547 CA ASP A 38 -13.109 -2.848 10.470 1.00 0.00 C ATOM 548 C ASP A 38 -12.729 -2.471 11.899 1.00 0.00 C ATOM 549 O ASP A 38 -11.835 -3.072 12.493 1.00 0.00 O ATOM 550 CB ASP A 38 -12.789 -4.321 10.216 1.00 0.00 C ATOM 551 CG ASP A 38 -13.762 -4.967 9.249 1.00 0.00 C ATOM 552 OD1 ASP A 38 -13.850 -4.498 8.095 1.00 0.00 O ATOM 553 OD2 ASP A 38 -14.436 -5.940 9.647 1.00 0.00 O ATOM 0 H ASP A 38 -11.494 -2.354 9.228 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.180 -2.691 10.344 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.777 -4.407 9.820 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.808 -4.862 11.162 1.00 0.00 H new ATOM 558 N SER A 39 -13.415 -1.471 12.444 1.00 0.00 N ATOM 559 CA SER A 39 -13.146 -1.010 13.801 1.00 0.00 C ATOM 560 C SER A 39 -13.088 -2.186 14.772 1.00 0.00 C ATOM 561 O SER A 39 -12.356 -2.154 15.762 1.00 0.00 O ATOM 562 CB SER A 39 -14.221 -0.018 14.248 1.00 0.00 C ATOM 563 OG SER A 39 -15.520 -0.550 14.051 1.00 0.00 O ATOM 0 H SER A 39 -14.161 -0.965 11.967 1.00 0.00 H new ATOM 0 HA SER A 39 -12.177 -0.510 13.803 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.080 0.225 15.301 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.117 0.912 13.689 1.00 0.00 H new ATOM 0 HG SER A 39 -16.189 0.103 14.346 1.00 0.00 H new ATOM 569 N THR A 40 -13.866 -3.224 14.482 1.00 0.00 N ATOM 570 CA THR A 40 -13.905 -4.410 15.328 1.00 0.00 C ATOM 571 C THR A 40 -12.501 -4.839 15.738 1.00 0.00 C ATOM 572 O THR A 40 -12.203 -4.970 16.925 1.00 0.00 O ATOM 573 CB THR A 40 -14.602 -5.585 14.617 1.00 0.00 C ATOM 574 OG1 THR A 40 -15.850 -5.152 14.064 1.00 0.00 O ATOM 575 CG2 THR A 40 -14.841 -6.736 15.582 1.00 0.00 C ATOM 0 H THR A 40 -14.478 -3.267 13.667 1.00 0.00 H new ATOM 0 HA THR A 40 -14.475 -4.145 16.218 1.00 0.00 H new ATOM 0 HB THR A 40 -13.951 -5.933 13.815 1.00 0.00 H new ATOM 0 HG1 THR A 40 -16.286 -5.904 13.612 1.00 0.00 H new ATOM 0 HG21 THR A 40 -15.334 -7.554 15.057 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.887 -7.082 15.979 1.00 0.00 H new ATOM 0 HG23 THR A 40 -15.474 -6.397 16.403 1.00 0.00 H new ATOM 583 N SER A 41 -11.641 -5.058 14.748 1.00 0.00 N ATOM 584 CA SER A 41 -10.268 -5.476 15.006 1.00 0.00 C ATOM 585 C SER A 41 -9.279 -4.419 14.525 1.00 0.00 C ATOM 586 O SER A 41 -8.077 -4.672 14.441 1.00 0.00 O ATOM 587 CB SER A 41 -9.981 -6.811 14.317 1.00 0.00 C ATOM 588 OG SER A 41 -8.990 -7.544 15.016 1.00 0.00 O ATOM 0 H SER A 41 -11.871 -4.953 13.760 1.00 0.00 H new ATOM 0 HA SER A 41 -10.147 -5.598 16.082 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.898 -7.398 14.258 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.651 -6.632 13.294 1.00 0.00 H new ATOM 0 HG SER A 41 -8.826 -8.394 14.556 1.00 0.00 H new ATOM 594 N GLN A 42 -9.794 -3.235 14.210 1.00 0.00 N ATOM 595 CA GLN A 42 -8.956 -2.140 13.736 1.00 0.00 C ATOM 596 C GLN A 42 -8.173 -2.552 12.494 1.00 0.00 C ATOM 597 O GLN A 42 -7.066 -2.067 12.256 1.00 0.00 O ATOM 598 CB GLN A 42 -7.993 -1.694 14.836 1.00 0.00 C ATOM 599 CG GLN A 42 -8.673 -0.959 15.980 1.00 0.00 C ATOM 600 CD GLN A 42 -8.823 0.526 15.712 1.00 0.00 C ATOM 601 OE1 GLN A 42 -7.875 1.296 15.871 1.00 0.00 O ATOM 602 NE2 GLN A 42 -10.017 0.937 15.303 1.00 0.00 N ATOM 0 H GLN A 42 -10.787 -3.010 14.274 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.606 -1.306 13.473 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.478 -2.569 15.233 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.232 -1.046 14.400 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.657 -1.394 16.153 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.096 -1.103 16.893 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.775 0.265 15.184 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.177 1.925 15.107 1.00 0.00 H new ATOM 611 N LEU A 43 -8.753 -3.450 11.705 1.00 0.00 N ATOM 612 CA LEU A 43 -8.109 -3.928 10.487 1.00 0.00 C ATOM 613 C LEU A 43 -8.652 -3.200 9.262 1.00 0.00 C ATOM 614 O LEU A 43 -9.841 -3.281 8.955 1.00 0.00 O ATOM 615 CB LEU A 43 -8.319 -5.435 10.333 1.00 0.00 C ATOM 616 CG LEU A 43 -7.476 -6.328 11.245 1.00 0.00 C ATOM 617 CD1 LEU A 43 -8.020 -7.748 11.254 1.00 0.00 C ATOM 618 CD2 LEU A 43 -6.020 -6.315 10.805 1.00 0.00 C ATOM 0 H LEU A 43 -9.668 -3.862 11.887 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.041 -3.722 10.566 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.371 -5.655 10.514 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.110 -5.707 9.298 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.532 -5.934 12.260 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.407 -8.368 11.908 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.048 -7.742 11.618 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.996 -8.153 10.242 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.435 -6.956 11.465 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.946 -6.684 9.782 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.635 -5.297 10.853 1.00 0.00 H new ATOM 630 N TYR A 44 -7.772 -2.490 8.564 1.00 0.00 N ATOM 631 CA TYR A 44 -8.163 -1.747 7.372 1.00 0.00 C ATOM 632 C TYR A 44 -8.060 -2.621 6.126 1.00 0.00 C ATOM 633 O TYR A 44 -7.086 -3.353 5.945 1.00 0.00 O ATOM 634 CB TYR A 44 -7.286 -0.504 7.210 1.00 0.00 C ATOM 635 CG TYR A 44 -7.627 0.608 8.177 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.509 0.422 9.549 1.00 0.00 C ATOM 637 CD2 TYR A 44 -8.068 1.843 7.719 1.00 0.00 C ATOM 638 CE1 TYR A 44 -7.819 1.434 10.437 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.379 2.861 8.599 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.254 2.652 9.957 1.00 0.00 C ATOM 641 OH TYR A 44 -8.564 3.663 10.837 1.00 0.00 O ATOM 0 H TYR A 44 -6.783 -2.414 8.803 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.201 -1.438 7.492 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.242 -0.786 7.347 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.384 -0.131 6.191 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.169 -0.530 9.928 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.169 2.010 6.657 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.721 1.273 11.500 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.718 3.816 8.226 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.853 4.455 10.337 1.00 0.00 H new ATOM 651 N THR A 45 -9.072 -2.540 5.269 1.00 0.00 N ATOM 652 CA THR A 45 -9.098 -3.324 4.040 1.00 0.00 C ATOM 653 C THR A 45 -8.597 -2.505 2.855 1.00 0.00 C ATOM 654 O THR A 45 -9.286 -1.604 2.375 1.00 0.00 O ATOM 655 CB THR A 45 -10.516 -3.838 3.731 1.00 0.00 C ATOM 656 OG1 THR A 45 -11.033 -4.557 4.857 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.510 -4.741 2.506 1.00 0.00 C ATOM 0 H THR A 45 -9.885 -1.939 5.403 1.00 0.00 H new ATOM 0 HA THR A 45 -8.437 -4.177 4.195 1.00 0.00 H new ATOM 0 HB THR A 45 -11.153 -2.978 3.526 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.936 -4.879 4.653 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.523 -5.092 2.308 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.144 -4.183 1.644 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.859 -5.596 2.688 1.00 0.00 H new ATOM 665 N VAL A 46 -7.395 -2.823 2.387 1.00 0.00 N ATOM 666 CA VAL A 46 -6.803 -2.118 1.257 1.00 0.00 C ATOM 667 C VAL A 46 -6.657 -3.038 0.051 1.00 0.00 C ATOM 668 O VAL A 46 -6.500 -4.251 0.196 1.00 0.00 O ATOM 669 CB VAL A 46 -5.421 -1.539 1.618 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.529 -0.610 2.817 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.429 -2.660 1.888 1.00 0.00 C ATOM 0 H VAL A 46 -6.811 -3.565 2.773 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.477 -1.299 1.006 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.056 -0.958 0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.544 -0.211 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.206 0.211 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.915 -1.164 3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.458 -2.234 2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.786 -3.269 2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.331 -3.281 0.998 1.00 0.00 H new ATOM 681 N LYS A 47 -6.709 -2.454 -1.142 1.00 0.00 N ATOM 682 CA LYS A 47 -6.580 -3.220 -2.376 1.00 0.00 C ATOM 683 C LYS A 47 -5.338 -2.796 -3.153 1.00 0.00 C ATOM 684 O LYS A 47 -4.944 -1.630 -3.124 1.00 0.00 O ATOM 685 CB LYS A 47 -7.826 -3.037 -3.246 1.00 0.00 C ATOM 686 CG LYS A 47 -8.004 -4.126 -4.290 1.00 0.00 C ATOM 687 CD LYS A 47 -9.472 -4.374 -4.592 1.00 0.00 C ATOM 688 CE LYS A 47 -9.964 -3.489 -5.728 1.00 0.00 C ATOM 689 NZ LYS A 47 -11.429 -3.234 -5.638 1.00 0.00 N ATOM 0 H LYS A 47 -6.840 -1.452 -1.280 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.479 -4.273 -2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.707 -3.013 -2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.770 -2.071 -3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.486 -3.841 -5.206 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.543 -5.049 -3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.619 -5.421 -4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.066 -4.184 -3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.428 -2.540 -5.707 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.736 -3.963 -6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.725 -2.628 -6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.942 -4.137 -5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.644 -2.759 -4.738 1.00 0.00 H new ATOM 703 N TYR A 48 -4.727 -3.749 -3.847 1.00 0.00 N ATOM 704 CA TYR A 48 -3.528 -3.474 -4.632 1.00 0.00 C ATOM 705 C TYR A 48 -3.869 -3.317 -6.110 1.00 0.00 C ATOM 706 O TYR A 48 -5.026 -3.447 -6.511 1.00 0.00 O ATOM 707 CB TYR A 48 -2.505 -4.596 -4.449 1.00 0.00 C ATOM 708 CG TYR A 48 -1.892 -4.637 -3.067 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.517 -5.318 -2.029 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.690 -3.995 -2.799 1.00 0.00 C ATOM 711 CE1 TYR A 48 -1.962 -5.358 -0.765 1.00 0.00 C ATOM 712 CE2 TYR A 48 -0.127 -4.031 -1.538 1.00 0.00 C ATOM 713 CZ TYR A 48 -0.767 -4.714 -0.524 1.00 0.00 C ATOM 714 OH TYR A 48 -0.209 -4.751 0.733 1.00 0.00 O ATOM 0 H TYR A 48 -5.041 -4.719 -3.883 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.098 -2.538 -4.276 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.987 -5.552 -4.652 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.711 -4.476 -5.186 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.453 -5.825 -2.214 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.187 -3.459 -3.590 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.461 -5.891 0.031 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.809 -3.527 -1.347 1.00 0.00 H new ATOM 0 HH TYR A 48 0.135 -5.651 0.912 1.00 0.00 H new ATOM 724 N LYS A 49 -2.853 -3.037 -6.919 1.00 0.00 N ATOM 725 CA LYS A 49 -3.041 -2.865 -8.354 1.00 0.00 C ATOM 726 C LYS A 49 -3.335 -4.200 -9.029 1.00 0.00 C ATOM 727 O LYS A 49 -3.905 -4.244 -10.120 1.00 0.00 O ATOM 728 CB LYS A 49 -1.798 -2.227 -8.979 1.00 0.00 C ATOM 729 CG LYS A 49 -0.620 -3.179 -9.095 1.00 0.00 C ATOM 730 CD LYS A 49 0.224 -3.178 -7.831 1.00 0.00 C ATOM 731 CE LYS A 49 1.589 -3.803 -8.071 1.00 0.00 C ATOM 732 NZ LYS A 49 2.457 -2.934 -8.914 1.00 0.00 N ATOM 0 H LYS A 49 -1.889 -2.924 -6.604 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.896 -2.206 -8.507 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.051 -1.853 -9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.501 -1.366 -8.380 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.984 -4.188 -9.290 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.002 -2.893 -9.946 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.349 -2.155 -7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.295 -3.727 -7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.078 -3.986 -7.114 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.465 -4.771 -8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.447 -3.238 -8.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.163 -3.010 -9.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.367 -1.946 -8.601 1.00 0.00 H new ATOM 746 N ASP A 50 -2.943 -5.288 -8.374 1.00 0.00 N ATOM 747 CA ASP A 50 -3.167 -6.625 -8.910 1.00 0.00 C ATOM 748 C ASP A 50 -4.559 -7.132 -8.543 1.00 0.00 C ATOM 749 O ASP A 50 -4.861 -8.314 -8.698 1.00 0.00 O ATOM 750 CB ASP A 50 -2.104 -7.592 -8.386 1.00 0.00 C ATOM 751 CG ASP A 50 -1.881 -8.768 -9.317 1.00 0.00 C ATOM 752 OD1 ASP A 50 -1.150 -8.603 -10.316 1.00 0.00 O ATOM 753 OD2 ASP A 50 -2.437 -9.852 -9.046 1.00 0.00 O ATOM 0 H ASP A 50 -2.469 -5.270 -7.471 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.095 -6.571 -9.996 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.165 -7.056 -8.251 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.404 -7.961 -7.405 1.00 0.00 H new ATOM 758 N GLY A 51 -5.402 -6.228 -8.054 1.00 0.00 N ATOM 759 CA GLY A 51 -6.751 -6.603 -7.672 1.00 0.00 C ATOM 760 C GLY A 51 -6.778 -7.520 -6.466 1.00 0.00 C ATOM 761 O GLY A 51 -7.601 -8.434 -6.389 1.00 0.00 O ATOM 0 H GLY A 51 -5.175 -5.243 -7.916 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.327 -5.704 -7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.239 -7.098 -8.512 1.00 0.00 H new ATOM 765 N THR A 52 -5.875 -7.280 -5.521 1.00 0.00 N ATOM 766 CA THR A 52 -5.796 -8.093 -4.314 1.00 0.00 C ATOM 767 C THR A 52 -6.048 -7.254 -3.067 1.00 0.00 C ATOM 768 O THR A 52 -5.502 -6.161 -2.923 1.00 0.00 O ATOM 769 CB THR A 52 -4.423 -8.779 -4.188 1.00 0.00 C ATOM 770 OG1 THR A 52 -4.113 -9.481 -5.396 1.00 0.00 O ATOM 771 CG2 THR A 52 -4.407 -9.748 -3.015 1.00 0.00 C ATOM 0 H THR A 52 -5.187 -6.528 -5.568 1.00 0.00 H new ATOM 0 HA THR A 52 -6.570 -8.856 -4.397 1.00 0.00 H new ATOM 0 HB THR A 52 -3.672 -8.008 -4.013 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.238 -9.913 -5.308 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.427 -10.220 -2.946 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.614 -9.206 -2.092 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.169 -10.513 -3.165 1.00 0.00 H new ATOM 779 N GLU A 53 -6.879 -7.772 -2.168 1.00 0.00 N ATOM 780 CA GLU A 53 -7.203 -7.068 -0.933 1.00 0.00 C ATOM 781 C GLU A 53 -6.634 -7.803 0.278 1.00 0.00 C ATOM 782 O GLU A 53 -6.319 -8.991 0.205 1.00 0.00 O ATOM 783 CB GLU A 53 -8.719 -6.920 -0.787 1.00 0.00 C ATOM 784 CG GLU A 53 -9.366 -6.142 -1.920 1.00 0.00 C ATOM 785 CD GLU A 53 -9.807 -7.035 -3.063 1.00 0.00 C ATOM 786 OE1 GLU A 53 -9.075 -7.995 -3.381 1.00 0.00 O ATOM 787 OE2 GLU A 53 -10.883 -6.773 -3.640 1.00 0.00 O ATOM 0 H GLU A 53 -7.340 -8.676 -2.272 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.751 -6.077 -0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.169 -7.911 -0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.938 -6.421 0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.228 -5.597 -1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.661 -5.400 -2.295 1.00 0.00 H new ATOM 794 N LEU A 54 -6.504 -7.087 1.389 1.00 0.00 N ATOM 795 CA LEU A 54 -5.972 -7.669 2.616 1.00 0.00 C ATOM 796 C LEU A 54 -6.444 -6.888 3.839 1.00 0.00 C ATOM 797 O LEU A 54 -7.243 -5.960 3.723 1.00 0.00 O ATOM 798 CB LEU A 54 -4.443 -7.694 2.572 1.00 0.00 C ATOM 799 CG LEU A 54 -3.818 -8.515 1.444 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.328 -8.230 1.338 1.00 0.00 C ATOM 801 CD2 LEU A 54 -4.064 -10.001 1.666 1.00 0.00 C ATOM 0 H LEU A 54 -6.760 -6.103 1.466 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.344 -8.691 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.085 -6.668 2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.078 -8.083 3.523 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.290 -8.225 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.901 -8.823 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.174 -7.171 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.840 -8.491 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.612 -10.570 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.620 -10.306 2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.137 -10.193 1.690 1.00 0.00 H new ATOM 813 N GLU A 55 -5.942 -7.271 5.009 1.00 0.00 N ATOM 814 CA GLU A 55 -6.312 -6.605 6.252 1.00 0.00 C ATOM 815 C GLU A 55 -5.074 -6.109 6.993 1.00 0.00 C ATOM 816 O GLU A 55 -4.321 -6.899 7.565 1.00 0.00 O ATOM 817 CB GLU A 55 -7.110 -7.555 7.148 1.00 0.00 C ATOM 818 CG GLU A 55 -8.602 -7.553 6.861 1.00 0.00 C ATOM 819 CD GLU A 55 -9.331 -8.685 7.557 1.00 0.00 C ATOM 820 OE1 GLU A 55 -9.233 -9.836 7.082 1.00 0.00 O ATOM 821 OE2 GLU A 55 -10.000 -8.420 8.578 1.00 0.00 O ATOM 0 H GLU A 55 -5.279 -8.038 5.122 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.933 -5.745 6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.726 -8.567 7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.949 -7.279 8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.028 -6.602 7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.761 -7.630 5.785 1.00 0.00 H new ATOM 828 N LEU A 56 -4.868 -4.797 6.978 1.00 0.00 N ATOM 829 CA LEU A 56 -3.721 -4.194 7.648 1.00 0.00 C ATOM 830 C LEU A 56 -4.173 -3.233 8.743 1.00 0.00 C ATOM 831 O LEU A 56 -5.067 -2.413 8.535 1.00 0.00 O ATOM 832 CB LEU A 56 -2.844 -3.456 6.635 1.00 0.00 C ATOM 833 CG LEU A 56 -2.525 -4.213 5.346 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.824 -3.301 4.351 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.671 -5.437 5.644 1.00 0.00 C ATOM 0 H LEU A 56 -5.481 -4.130 6.509 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.139 -4.992 8.109 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.338 -2.521 6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.904 -3.194 7.121 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.463 -4.548 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.605 -3.857 3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.470 -2.456 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.894 -2.935 4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.454 -5.964 4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.737 -5.124 6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.210 -6.101 6.320 1.00 0.00 H new ATOM 847 N LYS A 57 -3.547 -3.338 9.910 1.00 0.00 N ATOM 848 CA LYS A 57 -3.880 -2.477 11.039 1.00 0.00 C ATOM 849 C LYS A 57 -3.536 -1.023 10.733 1.00 0.00 C ATOM 850 O LYS A 57 -2.734 -0.739 9.844 1.00 0.00 O ATOM 851 CB LYS A 57 -3.136 -2.935 12.295 1.00 0.00 C ATOM 852 CG LYS A 57 -3.520 -4.332 12.753 1.00 0.00 C ATOM 853 CD LYS A 57 -3.228 -4.533 14.231 1.00 0.00 C ATOM 854 CE LYS A 57 -3.862 -5.812 14.755 1.00 0.00 C ATOM 855 NZ LYS A 57 -3.865 -5.861 16.244 1.00 0.00 N ATOM 0 H LYS A 57 -2.805 -4.012 10.099 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.953 -2.550 11.215 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.063 -2.907 12.103 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.334 -2.230 13.102 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.580 -4.499 12.564 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.972 -5.071 12.169 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.150 -4.569 14.388 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.605 -3.681 14.797 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.885 -5.887 14.387 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.319 -6.673 14.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.305 -6.748 16.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.887 -5.815 16.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.405 -5.054 16.617 1.00 0.00 H new ATOM 869 N GLU A 58 -4.147 -0.106 11.477 1.00 0.00 N ATOM 870 CA GLU A 58 -3.904 1.319 11.285 1.00 0.00 C ATOM 871 C GLU A 58 -2.407 1.620 11.282 1.00 0.00 C ATOM 872 O GLU A 58 -1.948 2.530 10.594 1.00 0.00 O ATOM 873 CB GLU A 58 -4.596 2.130 12.383 1.00 0.00 C ATOM 874 CG GLU A 58 -4.844 3.580 12.003 1.00 0.00 C ATOM 875 CD GLU A 58 -5.315 4.418 13.176 1.00 0.00 C ATOM 876 OE1 GLU A 58 -5.948 3.852 14.092 1.00 0.00 O ATOM 877 OE2 GLU A 58 -5.050 5.638 13.178 1.00 0.00 O ATOM 0 H GLU A 58 -4.813 -0.324 12.218 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.317 1.605 10.318 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.548 1.659 12.626 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.986 2.099 13.286 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.926 4.008 11.601 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.590 3.621 11.209 1.00 0.00 H new ATOM 884 N ASN A 59 -1.653 0.847 12.057 1.00 0.00 N ATOM 885 CA ASN A 59 -0.209 1.031 12.145 1.00 0.00 C ATOM 886 C ASN A 59 0.487 0.474 10.906 1.00 0.00 C ATOM 887 O ASN A 59 1.370 1.115 10.337 1.00 0.00 O ATOM 888 CB ASN A 59 0.337 0.348 13.400 1.00 0.00 C ATOM 889 CG ASN A 59 1.811 0.012 13.281 1.00 0.00 C ATOM 890 OD1 ASN A 59 2.669 0.890 13.372 1.00 0.00 O ATOM 891 ND2 ASN A 59 2.111 -1.265 13.075 1.00 0.00 N ATOM 0 H ASN A 59 -2.018 0.088 12.633 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.007 2.100 12.204 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.184 0.999 14.260 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.227 -0.566 13.588 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.086 -1.552 12.986 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.367 -1.959 13.006 1.00 0.00 H new ATOM 898 N ASP A 60 0.082 -0.723 10.495 1.00 0.00 N ATOM 899 CA ASP A 60 0.665 -1.366 9.323 1.00 0.00 C ATOM 900 C ASP A 60 0.594 -0.448 8.108 1.00 0.00 C ATOM 901 O ASP A 60 1.450 -0.505 7.224 1.00 0.00 O ATOM 902 CB ASP A 60 -0.056 -2.682 9.026 1.00 0.00 C ATOM 903 CG ASP A 60 0.120 -3.702 10.134 1.00 0.00 C ATOM 904 OD1 ASP A 60 1.173 -3.673 10.806 1.00 0.00 O ATOM 905 OD2 ASP A 60 -0.795 -4.528 10.331 1.00 0.00 O ATOM 0 H ASP A 60 -0.647 -1.267 10.956 1.00 0.00 H new ATOM 0 HA ASP A 60 1.713 -1.575 9.537 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.119 -2.486 8.882 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.321 -3.097 8.091 1.00 0.00 H new ATOM 910 N ILE A 61 -0.431 0.397 8.070 1.00 0.00 N ATOM 911 CA ILE A 61 -0.612 1.328 6.963 1.00 0.00 C ATOM 912 C ILE A 61 0.100 2.649 7.232 1.00 0.00 C ATOM 913 O ILE A 61 0.055 3.176 8.344 1.00 0.00 O ATOM 914 CB ILE A 61 -2.104 1.606 6.700 1.00 0.00 C ATOM 915 CG1 ILE A 61 -2.859 0.293 6.483 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.268 2.523 5.497 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.349 0.476 6.298 1.00 0.00 C ATOM 0 H ILE A 61 -1.148 0.456 8.793 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.177 0.857 6.081 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.525 2.105 7.573 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.451 -0.210 5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.685 -0.362 7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.328 2.710 5.324 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.759 3.468 5.688 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.835 2.049 4.616 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.819 -0.496 6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.770 0.951 7.184 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.533 1.105 5.427 1.00 0.00 H new ATOM 929 N LYS A 62 0.755 3.182 6.207 1.00 0.00 N ATOM 930 CA LYS A 62 1.475 4.444 6.331 1.00 0.00 C ATOM 931 C LYS A 62 1.137 5.379 5.174 1.00 0.00 C ATOM 932 O LYS A 62 0.731 4.932 4.101 1.00 0.00 O ATOM 933 CB LYS A 62 2.984 4.192 6.373 1.00 0.00 C ATOM 934 CG LYS A 62 3.398 3.142 7.389 1.00 0.00 C ATOM 935 CD LYS A 62 3.677 3.762 8.748 1.00 0.00 C ATOM 936 CE LYS A 62 4.632 2.905 9.566 1.00 0.00 C ATOM 937 NZ LYS A 62 4.880 3.484 10.915 1.00 0.00 N ATOM 0 H LYS A 62 0.802 2.759 5.280 1.00 0.00 H new ATOM 0 HA LYS A 62 1.166 4.920 7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.319 3.880 5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.494 5.128 6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.610 2.395 7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.289 2.623 7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.102 4.757 8.615 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.741 3.886 9.292 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.220 1.902 9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.578 2.806 9.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.535 2.871 11.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.297 4.431 10.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.981 3.555 11.433 1.00 0.00 H new ATOM 951 N SER A 63 1.308 6.677 5.399 1.00 0.00 N ATOM 952 CA SER A 63 1.019 7.675 4.376 1.00 0.00 C ATOM 953 C SER A 63 1.909 8.902 4.546 1.00 0.00 C ATOM 954 O SER A 63 2.284 9.261 5.662 1.00 0.00 O ATOM 955 CB SER A 63 -0.454 8.087 4.437 1.00 0.00 C ATOM 956 OG SER A 63 -0.805 8.891 3.324 1.00 0.00 O ATOM 0 H SER A 63 1.645 7.063 6.281 1.00 0.00 H new ATOM 0 HA SER A 63 1.225 7.231 3.402 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.083 7.197 4.460 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.644 8.635 5.360 1.00 0.00 H new ATOM 0 HG SER A 63 -1.751 9.140 3.385 1.00 0.00 H new