USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=17 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 29 TYR OH : rot 30:sc= 0.0693 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 144:sc= 0.0562 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -159:sc=-0.00516 (180deg=-0.102) 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 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -2:sc= 1.12 USER MOD Single : A 37 HIS : no HE2:sc= -6.85! C(o=-6.8!,f=-3.8!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 103:sc= 0.0524 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc=-0.00116 X(o=-0.0012,f=-0.044) USER MOD Single : A 44 TYR OH : 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 180:sc= -0.0074 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -138:sc= -0.628 (180deg=-2.21!) USER MOD Single : A 59 ASN : amide:sc= -0.466 K(o=-0.47,f=-3.2!) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0589 USER MOD ----------------------------------------------------------------- ATOM 132 N LYS A 12 -7.989 7.518 10.369 1.00 0.00 N ATOM 133 CA LYS A 12 -6.657 7.953 9.966 1.00 0.00 C ATOM 134 C LYS A 12 -6.545 8.027 8.447 1.00 0.00 C ATOM 135 O LYS A 12 -5.890 8.918 7.905 1.00 0.00 O ATOM 136 CB LYS A 12 -5.597 6.999 10.520 1.00 0.00 C ATOM 137 CG LYS A 12 -4.224 7.632 10.664 1.00 0.00 C ATOM 138 CD LYS A 12 -3.156 6.589 10.947 1.00 0.00 C ATOM 139 CE LYS A 12 -1.785 7.227 11.117 1.00 0.00 C ATOM 140 NZ LYS A 12 -1.299 7.841 9.851 1.00 0.00 N ATOM 0 HA LYS A 12 -6.489 8.950 10.374 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.923 6.633 11.494 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.521 6.133 9.863 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.974 8.172 9.751 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.243 8.364 11.472 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.416 6.036 11.850 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.124 5.868 10.130 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.833 7.989 11.895 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.073 6.473 11.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.265 7.942 9.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.558 7.233 9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.734 8.778 9.730 1.00 0.00 H new ATOM 154 N PHE A 13 -7.189 7.087 7.764 1.00 0.00 N ATOM 155 CA PHE A 13 -7.162 7.046 6.306 1.00 0.00 C ATOM 156 C PHE A 13 -8.576 7.094 5.734 1.00 0.00 C ATOM 157 O PHE A 13 -9.395 6.215 6.001 1.00 0.00 O ATOM 158 CB PHE A 13 -6.447 5.782 5.824 1.00 0.00 C ATOM 159 CG PHE A 13 -5.133 5.538 6.508 1.00 0.00 C ATOM 160 CD1 PHE A 13 -4.030 6.326 6.219 1.00 0.00 C ATOM 161 CD2 PHE A 13 -5.000 4.522 7.441 1.00 0.00 C ATOM 162 CE1 PHE A 13 -2.819 6.103 6.847 1.00 0.00 C ATOM 163 CE2 PHE A 13 -3.791 4.296 8.072 1.00 0.00 C ATOM 164 CZ PHE A 13 -2.700 5.088 7.775 1.00 0.00 C ATOM 0 H PHE A 13 -7.736 6.343 8.196 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.617 7.921 5.953 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.097 4.922 5.987 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.280 5.856 4.749 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.118 7.123 5.495 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.850 3.900 7.678 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.966 6.723 6.612 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.700 3.500 8.797 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.755 4.914 8.268 1.00 0.00 H new ATOM 174 N ALA A 14 -8.854 8.127 4.947 1.00 0.00 N ATOM 175 CA ALA A 14 -10.168 8.290 4.336 1.00 0.00 C ATOM 176 C ALA A 14 -10.403 7.243 3.253 1.00 0.00 C ATOM 177 O ALA A 14 -9.474 6.840 2.553 1.00 0.00 O ATOM 178 CB ALA A 14 -10.311 9.691 3.758 1.00 0.00 C ATOM 0 H ALA A 14 -8.187 8.864 4.717 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.922 8.149 5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.297 9.799 3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.195 10.427 4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.544 9.852 3.001 1.00 0.00 H new ATOM 184 N ASP A 15 -11.650 6.804 3.122 1.00 0.00 N ATOM 185 CA ASP A 15 -12.008 5.803 2.124 1.00 0.00 C ATOM 186 C ASP A 15 -11.637 6.276 0.722 1.00 0.00 C ATOM 187 O ASP A 15 -11.774 7.455 0.397 1.00 0.00 O ATOM 188 CB ASP A 15 -13.505 5.496 2.192 1.00 0.00 C ATOM 189 CG ASP A 15 -13.923 4.430 1.199 1.00 0.00 C ATOM 190 OD1 ASP A 15 -13.915 4.716 -0.016 1.00 0.00 O ATOM 191 OD2 ASP A 15 -14.259 3.309 1.637 1.00 0.00 O ATOM 0 H ASP A 15 -12.430 7.126 3.695 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.448 4.893 2.341 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.761 5.170 3.200 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.069 6.409 2.000 1.00 0.00 H new ATOM 196 N GLY A 16 -11.164 5.348 -0.105 1.00 0.00 N ATOM 197 CA GLY A 16 -10.780 5.691 -1.462 1.00 0.00 C ATOM 198 C GLY A 16 -9.375 6.255 -1.541 1.00 0.00 C ATOM 199 O GLY A 16 -8.720 6.163 -2.579 1.00 0.00 O ATOM 0 H GLY A 16 -11.040 4.366 0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.848 4.803 -2.091 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.484 6.420 -1.862 1.00 0.00 H new ATOM 203 N GLU A 17 -8.912 6.843 -0.442 1.00 0.00 N ATOM 204 CA GLU A 17 -7.577 7.427 -0.393 1.00 0.00 C ATOM 205 C GLU A 17 -6.513 6.377 -0.702 1.00 0.00 C ATOM 206 O GLU A 17 -6.633 5.219 -0.304 1.00 0.00 O ATOM 207 CB GLU A 17 -7.316 8.044 0.982 1.00 0.00 C ATOM 208 CG GLU A 17 -6.329 9.200 0.953 1.00 0.00 C ATOM 209 CD GLU A 17 -6.709 10.266 -0.056 1.00 0.00 C ATOM 210 OE1 GLU A 17 -7.914 10.400 -0.353 1.00 0.00 O ATOM 211 OE2 GLU A 17 -5.800 10.966 -0.548 1.00 0.00 O ATOM 0 H GLU A 17 -9.442 6.927 0.426 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.522 8.209 -1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.260 8.394 1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.938 7.271 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.271 9.648 1.945 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.336 8.819 0.717 1.00 0.00 H new ATOM 218 N VAL A 18 -5.470 6.792 -1.415 1.00 0.00 N ATOM 219 CA VAL A 18 -4.384 5.890 -1.778 1.00 0.00 C ATOM 220 C VAL A 18 -3.197 6.053 -0.836 1.00 0.00 C ATOM 221 O VAL A 18 -2.417 6.998 -0.960 1.00 0.00 O ATOM 222 CB VAL A 18 -3.914 6.130 -3.225 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.787 5.175 -3.585 1.00 0.00 C ATOM 224 CG2 VAL A 18 -5.078 5.984 -4.193 1.00 0.00 C ATOM 0 H VAL A 18 -5.355 7.748 -1.752 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.774 4.876 -1.695 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.533 7.148 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.468 5.359 -4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.946 5.333 -2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.138 4.147 -3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.729 6.157 -5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.491 4.978 -4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.850 6.713 -3.946 1.00 0.00 H new ATOM 234 N VAL A 19 -3.064 5.125 0.107 1.00 0.00 N ATOM 235 CA VAL A 19 -1.970 5.165 1.070 1.00 0.00 C ATOM 236 C VAL A 19 -1.046 3.963 0.902 1.00 0.00 C ATOM 237 O VAL A 19 -1.308 3.075 0.091 1.00 0.00 O ATOM 238 CB VAL A 19 -2.497 5.195 2.517 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.321 6.450 2.759 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.313 3.946 2.813 1.00 0.00 C ATOM 0 H VAL A 19 -3.700 4.337 0.224 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.410 6.080 0.876 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.644 5.213 3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.685 6.454 3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.701 7.330 2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.169 6.467 2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.677 3.984 3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.160 3.894 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.687 3.063 2.683 1.00 0.00 H new ATOM 250 N ARG A 20 0.035 3.943 1.675 1.00 0.00 N ATOM 251 CA ARG A 20 0.998 2.850 1.612 1.00 0.00 C ATOM 252 C ARG A 20 0.652 1.761 2.622 1.00 0.00 C ATOM 253 O ARG A 20 0.328 2.048 3.773 1.00 0.00 O ATOM 254 CB ARG A 20 2.412 3.373 1.873 1.00 0.00 C ATOM 255 CG ARG A 20 2.786 4.571 1.017 1.00 0.00 C ATOM 256 CD ARG A 20 2.918 4.189 -0.449 1.00 0.00 C ATOM 257 NE ARG A 20 2.855 5.354 -1.327 1.00 0.00 N ATOM 258 CZ ARG A 20 3.836 6.242 -1.442 1.00 0.00 C ATOM 259 NH1 ARG A 20 4.951 6.097 -0.738 1.00 0.00 N ATOM 260 NH2 ARG A 20 3.704 7.277 -2.262 1.00 0.00 N ATOM 0 H ARG A 20 0.266 4.671 2.352 1.00 0.00 H new ATOM 0 HA ARG A 20 0.956 2.419 0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.501 3.647 2.924 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.126 2.570 1.691 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.029 5.347 1.125 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.727 4.992 1.370 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.863 3.669 -0.604 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.123 3.492 -0.715 1.00 0.00 H new ATOM 0 HE ARG A 20 2.011 5.494 -1.883 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.056 5.302 -0.107 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.703 6.780 -0.828 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.848 7.391 -2.805 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.458 7.958 -2.349 1.00 0.00 H new ATOM 274 N GLY A 21 0.724 0.508 2.182 1.00 0.00 N ATOM 275 CA GLY A 21 0.415 -0.605 3.060 1.00 0.00 C ATOM 276 C GLY A 21 1.538 -1.621 3.126 1.00 0.00 C ATOM 277 O GLY A 21 2.085 -2.018 2.097 1.00 0.00 O ATOM 0 H GLY A 21 0.991 0.244 1.233 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.211 -0.228 4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.495 -1.095 2.713 1.00 0.00 H new ATOM 281 N ARG A 22 1.883 -2.042 4.338 1.00 0.00 N ATOM 282 CA ARG A 22 2.951 -3.015 4.534 1.00 0.00 C ATOM 283 C ARG A 22 2.437 -4.436 4.319 1.00 0.00 C ATOM 284 O ARG A 22 1.736 -4.987 5.167 1.00 0.00 O ATOM 285 CB ARG A 22 3.540 -2.881 5.939 1.00 0.00 C ATOM 286 CG ARG A 22 4.507 -3.997 6.303 1.00 0.00 C ATOM 287 CD ARG A 22 5.077 -3.807 7.700 1.00 0.00 C ATOM 288 NE ARG A 22 5.716 -5.021 8.200 1.00 0.00 N ATOM 289 CZ ARG A 22 5.928 -5.262 9.489 1.00 0.00 C ATOM 290 NH1 ARG A 22 5.552 -4.378 10.403 1.00 0.00 N ATOM 291 NH2 ARG A 22 6.516 -6.390 9.866 1.00 0.00 N ATOM 0 H ARG A 22 1.438 -1.725 5.199 1.00 0.00 H new ATOM 0 HA ARG A 22 3.731 -2.814 3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.056 -1.924 6.018 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.727 -2.865 6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.994 -4.957 6.246 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.320 -4.026 5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.803 -2.994 7.688 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.278 -3.511 8.380 1.00 0.00 H new ATOM 0 HE ARG A 22 6.016 -5.722 7.523 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.099 -3.510 10.117 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.716 -4.566 11.392 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.806 -7.073 9.166 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.678 -6.574 10.856 1.00 0.00 H new ATOM 305 N TRP A 23 2.791 -5.021 3.181 1.00 0.00 N ATOM 306 CA TRP A 23 2.365 -6.378 2.855 1.00 0.00 C ATOM 307 C TRP A 23 2.357 -7.260 4.098 1.00 0.00 C ATOM 308 O TRP A 23 3.252 -7.192 4.942 1.00 0.00 O ATOM 309 CB TRP A 23 3.284 -6.981 1.792 1.00 0.00 C ATOM 310 CG TRP A 23 2.671 -8.139 1.064 1.00 0.00 C ATOM 311 CD1 TRP A 23 2.998 -9.458 1.200 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.626 -8.081 0.087 1.00 0.00 C ATOM 313 NE1 TRP A 23 2.220 -10.224 0.365 1.00 0.00 N ATOM 314 CE2 TRP A 23 1.369 -9.403 -0.327 1.00 0.00 C ATOM 315 CE3 TRP A 23 0.881 -7.042 -0.477 1.00 0.00 C ATOM 316 CZ2 TRP A 23 0.401 -9.709 -1.279 1.00 0.00 C ATOM 317 CZ3 TRP A 23 -0.080 -7.348 -1.422 1.00 0.00 C ATOM 318 CH2 TRP A 23 -0.314 -8.672 -1.815 1.00 0.00 C ATOM 0 H TRP A 23 3.371 -4.578 2.469 1.00 0.00 H new ATOM 0 HA TRP A 23 1.350 -6.329 2.462 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.550 -6.208 1.071 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.210 -7.308 2.265 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.756 -9.843 1.866 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.268 -11.239 0.275 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.053 -6.018 -0.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 0.220 -10.729 -1.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.661 -6.552 -1.865 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.073 -8.879 -2.555 1.00 0.00 H new ATOM 329 N PRO A 24 1.325 -8.108 4.218 1.00 0.00 N ATOM 330 CA PRO A 24 1.178 -9.020 5.355 1.00 0.00 C ATOM 331 C PRO A 24 2.219 -10.134 5.344 1.00 0.00 C ATOM 332 O PRO A 24 2.393 -10.845 6.333 1.00 0.00 O ATOM 333 CB PRO A 24 -0.227 -9.599 5.166 1.00 0.00 C ATOM 334 CG PRO A 24 -0.489 -9.486 3.704 1.00 0.00 C ATOM 335 CD PRO A 24 0.223 -8.242 3.250 1.00 0.00 C ATOM 0 HA PRO A 24 1.319 -8.509 6.308 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.276 -10.636 5.498 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.965 -9.044 5.745 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.119 -10.363 3.173 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.558 -9.419 3.503 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.594 -8.341 2.230 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.435 -7.373 3.267 1.00 0.00 H new ATOM 343 N GLY A 25 2.909 -10.281 4.217 1.00 0.00 N ATOM 344 CA GLY A 25 3.925 -11.311 4.098 1.00 0.00 C ATOM 345 C GLY A 25 5.331 -10.745 4.132 1.00 0.00 C ATOM 346 O GLY A 25 6.268 -11.417 4.564 1.00 0.00 O ATOM 0 H GLY A 25 2.783 -9.705 3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.806 -12.030 4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.778 -11.856 3.165 1.00 0.00 H new ATOM 350 N SER A 26 5.480 -9.506 3.674 1.00 0.00 N ATOM 351 CA SER A 26 6.783 -8.852 3.649 1.00 0.00 C ATOM 352 C SER A 26 6.777 -7.597 4.515 1.00 0.00 C ATOM 353 O SER A 26 5.748 -7.220 5.076 1.00 0.00 O ATOM 354 CB SER A 26 7.169 -8.493 2.213 1.00 0.00 C ATOM 355 OG SER A 26 8.577 -8.436 2.062 1.00 0.00 O ATOM 0 H SER A 26 4.715 -8.935 3.315 1.00 0.00 H new ATOM 0 HA SER A 26 7.519 -9.547 4.053 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.756 -9.232 1.527 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.732 -7.531 1.945 1.00 0.00 H new ATOM 0 HG SER A 26 8.798 -8.206 1.135 1.00 0.00 H new ATOM 361 N SER A 27 7.935 -6.952 4.620 1.00 0.00 N ATOM 362 CA SER A 27 8.066 -5.741 5.421 1.00 0.00 C ATOM 363 C SER A 27 8.214 -4.513 4.528 1.00 0.00 C ATOM 364 O SER A 27 8.822 -3.516 4.919 1.00 0.00 O ATOM 365 CB SER A 27 9.271 -5.852 6.358 1.00 0.00 C ATOM 366 OG SER A 27 8.967 -6.655 7.485 1.00 0.00 O ATOM 0 H SER A 27 8.796 -7.248 4.160 1.00 0.00 H new ATOM 0 HA SER A 27 7.160 -5.629 6.017 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.116 -6.280 5.819 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.573 -4.858 6.687 1.00 0.00 H new ATOM 0 HG SER A 27 9.753 -6.712 8.068 1.00 0.00 H new ATOM 372 N LEU A 28 7.654 -4.592 3.326 1.00 0.00 N ATOM 373 CA LEU A 28 7.722 -3.488 2.376 1.00 0.00 C ATOM 374 C LEU A 28 6.350 -2.848 2.186 1.00 0.00 C ATOM 375 O LEU A 28 5.327 -3.533 2.197 1.00 0.00 O ATOM 376 CB LEU A 28 8.259 -3.979 1.030 1.00 0.00 C ATOM 377 CG LEU A 28 9.729 -4.400 1.008 1.00 0.00 C ATOM 378 CD1 LEU A 28 10.022 -5.247 -0.221 1.00 0.00 C ATOM 379 CD2 LEU A 28 10.634 -3.177 1.044 1.00 0.00 C ATOM 0 H LEU A 28 7.148 -5.410 2.986 1.00 0.00 H new ATOM 0 HA LEU A 28 8.401 -2.736 2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.654 -4.826 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.117 -3.187 0.294 1.00 0.00 H new ATOM 0 HG LEU A 28 9.929 -5.001 1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.073 -5.538 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.398 -6.141 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.806 -4.670 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.676 -3.495 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.433 -2.550 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.442 -2.609 1.954 1.00 0.00 H new ATOM 391 N TYR A 29 6.337 -1.531 2.009 1.00 0.00 N ATOM 392 CA TYR A 29 5.091 -0.798 1.817 1.00 0.00 C ATOM 393 C TYR A 29 4.840 -0.530 0.336 1.00 0.00 C ATOM 394 O TYR A 29 5.746 -0.132 -0.397 1.00 0.00 O ATOM 395 CB TYR A 29 5.128 0.523 2.586 1.00 0.00 C ATOM 396 CG TYR A 29 5.401 0.356 4.064 1.00 0.00 C ATOM 397 CD1 TYR A 29 6.672 0.037 4.525 1.00 0.00 C ATOM 398 CD2 TYR A 29 4.387 0.518 5.000 1.00 0.00 C ATOM 399 CE1 TYR A 29 6.925 -0.118 5.874 1.00 0.00 C ATOM 400 CE2 TYR A 29 4.631 0.366 6.351 1.00 0.00 C ATOM 401 CZ TYR A 29 5.902 0.048 6.783 1.00 0.00 C ATOM 402 OH TYR A 29 6.150 -0.103 8.128 1.00 0.00 O ATOM 0 H TYR A 29 7.175 -0.950 1.995 1.00 0.00 H new ATOM 0 HA TYR A 29 4.276 -1.411 2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.896 1.164 2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.175 1.036 2.457 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.477 -0.092 3.816 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.391 0.767 4.665 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.919 -0.368 6.215 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.831 0.495 7.065 1.00 0.00 H new ATOM 0 HH TYR A 29 7.078 0.148 8.320 1.00 0.00 H new ATOM 412 N TYR A 30 3.604 -0.752 -0.097 1.00 0.00 N ATOM 413 CA TYR A 30 3.232 -0.537 -1.491 1.00 0.00 C ATOM 414 C TYR A 30 1.989 0.342 -1.593 1.00 0.00 C ATOM 415 O TYR A 30 1.197 0.426 -0.656 1.00 0.00 O ATOM 416 CB TYR A 30 2.983 -1.876 -2.186 1.00 0.00 C ATOM 417 CG TYR A 30 4.186 -2.792 -2.187 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.194 -2.646 -3.132 1.00 0.00 C ATOM 419 CD2 TYR A 30 4.315 -3.802 -1.242 1.00 0.00 C ATOM 420 CE1 TYR A 30 6.295 -3.481 -3.137 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.413 -4.641 -1.238 1.00 0.00 C ATOM 422 CZ TYR A 30 6.400 -4.476 -2.188 1.00 0.00 C ATOM 423 OH TYR A 30 7.495 -5.310 -2.188 1.00 0.00 O ATOM 0 H TYR A 30 2.843 -1.081 0.497 1.00 0.00 H new ATOM 0 HA TYR A 30 4.057 -0.026 -1.987 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.152 -2.382 -1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.678 -1.690 -3.216 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.116 -1.867 -3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.544 -3.934 -0.498 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.069 -3.355 -3.880 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.498 -5.421 -0.496 1.00 0.00 H new ATOM 0 HH TYR A 30 7.415 -5.955 -1.454 1.00 0.00 H new ATOM 433 N GLU A 31 1.827 0.994 -2.740 1.00 0.00 N ATOM 434 CA GLU A 31 0.680 1.866 -2.966 1.00 0.00 C ATOM 435 C GLU A 31 -0.618 1.064 -2.990 1.00 0.00 C ATOM 436 O GLU A 31 -0.801 0.184 -3.831 1.00 0.00 O ATOM 437 CB GLU A 31 0.845 2.631 -4.281 1.00 0.00 C ATOM 438 CG GLU A 31 -0.087 3.824 -4.412 1.00 0.00 C ATOM 439 CD GLU A 31 0.426 4.860 -5.393 1.00 0.00 C ATOM 440 OE1 GLU A 31 0.937 4.463 -6.462 1.00 0.00 O ATOM 441 OE2 GLU A 31 0.318 6.067 -5.093 1.00 0.00 O ATOM 0 H GLU A 31 2.474 0.935 -3.526 1.00 0.00 H new ATOM 0 HA GLU A 31 0.630 2.579 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.876 2.975 -4.365 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.668 1.949 -5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.069 3.479 -4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.217 4.288 -3.434 1.00 0.00 H new ATOM 448 N VAL A 32 -1.516 1.375 -2.061 1.00 0.00 N ATOM 449 CA VAL A 32 -2.797 0.685 -1.974 1.00 0.00 C ATOM 450 C VAL A 32 -3.928 1.661 -1.671 1.00 0.00 C ATOM 451 O VAL A 32 -3.699 2.741 -1.128 1.00 0.00 O ATOM 452 CB VAL A 32 -2.773 -0.409 -0.890 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.777 -1.500 -1.253 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.445 0.195 0.468 1.00 0.00 C ATOM 0 H VAL A 32 -1.380 2.101 -1.358 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.973 0.221 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.763 -0.861 -0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.774 -2.264 -0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.062 -1.951 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.780 -1.068 -1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.432 -0.592 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.467 0.674 0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.201 0.936 0.729 1.00 0.00 H new ATOM 464 N GLU A 33 -5.149 1.273 -2.027 1.00 0.00 N ATOM 465 CA GLU A 33 -6.316 2.115 -1.793 1.00 0.00 C ATOM 466 C GLU A 33 -7.115 1.616 -0.593 1.00 0.00 C ATOM 467 O GLU A 33 -7.109 0.425 -0.282 1.00 0.00 O ATOM 468 CB GLU A 33 -7.207 2.146 -3.036 1.00 0.00 C ATOM 469 CG GLU A 33 -8.650 2.519 -2.742 1.00 0.00 C ATOM 470 CD GLU A 33 -9.443 2.822 -3.998 1.00 0.00 C ATOM 471 OE1 GLU A 33 -8.906 3.517 -4.885 1.00 0.00 O ATOM 472 OE2 GLU A 33 -10.601 2.363 -4.095 1.00 0.00 O ATOM 0 H GLU A 33 -5.355 0.382 -2.478 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.967 3.125 -1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.795 2.859 -3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.184 1.166 -3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.130 1.702 -2.203 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.670 3.389 -2.086 1.00 0.00 H new ATOM 479 N ILE A 34 -7.801 2.536 0.077 1.00 0.00 N ATOM 480 CA ILE A 34 -8.606 2.189 1.242 1.00 0.00 C ATOM 481 C ILE A 34 -10.028 1.816 0.837 1.00 0.00 C ATOM 482 O ILE A 34 -10.744 2.616 0.235 1.00 0.00 O ATOM 483 CB ILE A 34 -8.660 3.350 2.254 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.245 3.807 2.615 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.422 2.929 3.502 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.608 2.986 3.714 1.00 0.00 C ATOM 0 H ILE A 34 -7.816 3.526 -0.167 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.128 1.329 1.712 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.186 4.188 1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.618 3.757 1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.277 4.852 2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.452 3.759 4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.439 2.648 3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.922 2.078 3.964 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.607 3.366 3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.214 3.055 4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.544 1.944 3.399 1.00 0.00 H new ATOM 498 N LEU A 35 -10.431 0.596 1.173 1.00 0.00 N ATOM 499 CA LEU A 35 -11.769 0.115 0.847 1.00 0.00 C ATOM 500 C LEU A 35 -12.723 0.320 2.020 1.00 0.00 C ATOM 501 O LEU A 35 -13.772 0.949 1.877 1.00 0.00 O ATOM 502 CB LEU A 35 -11.722 -1.365 0.466 1.00 0.00 C ATOM 503 CG LEU A 35 -10.796 -1.731 -0.694 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.986 -3.187 -1.091 1.00 0.00 C ATOM 505 CD2 LEU A 35 -11.043 -0.815 -1.884 1.00 0.00 C ATOM 0 H LEU A 35 -9.850 -0.079 1.671 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.138 0.691 -0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.416 -1.936 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.732 -1.687 0.213 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.765 -1.597 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.318 -3.429 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.757 -3.829 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.019 -3.348 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.375 -1.090 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.078 -0.916 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.854 0.218 -1.593 1.00 0.00 H new ATOM 517 N SER A 36 -12.350 -0.212 3.179 1.00 0.00 N ATOM 518 CA SER A 36 -13.173 -0.089 4.376 1.00 0.00 C ATOM 519 C SER A 36 -12.358 -0.393 5.630 1.00 0.00 C ATOM 520 O SER A 36 -11.360 -1.114 5.575 1.00 0.00 O ATOM 521 CB SER A 36 -14.375 -1.033 4.295 1.00 0.00 C ATOM 522 OG SER A 36 -15.324 -0.568 3.351 1.00 0.00 O ATOM 0 H SER A 36 -11.483 -0.732 3.315 1.00 0.00 H new ATOM 0 HA SER A 36 -13.531 0.939 4.436 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.039 -2.032 4.016 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.843 -1.116 5.276 1.00 0.00 H new ATOM 0 HG SER A 36 -15.018 0.282 2.971 1.00 0.00 H new ATOM 528 N HIS A 37 -12.789 0.161 6.758 1.00 0.00 N ATOM 529 CA HIS A 37 -12.100 -0.051 8.026 1.00 0.00 C ATOM 530 C HIS A 37 -12.872 -1.028 8.907 1.00 0.00 C ATOM 531 O HIS A 37 -14.101 -0.987 8.968 1.00 0.00 O ATOM 532 CB HIS A 37 -11.916 1.278 8.759 1.00 0.00 C ATOM 533 CG HIS A 37 -11.514 1.121 10.193 1.00 0.00 C ATOM 534 ND1 HIS A 37 -12.168 1.751 11.231 1.00 0.00 N ATOM 535 CD2 HIS A 37 -10.520 0.399 10.760 1.00 0.00 C ATOM 536 CE1 HIS A 37 -11.592 1.424 12.374 1.00 0.00 C ATOM 537 NE2 HIS A 37 -10.589 0.604 12.116 1.00 0.00 N ATOM 0 H HIS A 37 -13.612 0.760 6.820 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.120 -0.478 7.812 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.160 1.867 8.241 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.848 1.842 8.711 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -12.971 2.372 11.132 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -9.805 -0.223 10.242 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -11.890 1.769 13.353 1.00 0.00 H new ATOM 546 N ASP A 38 -12.144 -1.907 9.587 1.00 0.00 N ATOM 547 CA ASP A 38 -12.760 -2.895 10.465 1.00 0.00 C ATOM 548 C ASP A 38 -12.527 -2.540 11.930 1.00 0.00 C ATOM 549 O ASP A 38 -11.641 -3.095 12.580 1.00 0.00 O ATOM 550 CB ASP A 38 -12.203 -4.288 10.170 1.00 0.00 C ATOM 551 CG ASP A 38 -13.205 -5.387 10.465 1.00 0.00 C ATOM 552 OD1 ASP A 38 -13.938 -5.267 11.469 1.00 0.00 O ATOM 553 OD2 ASP A 38 -13.256 -6.366 9.692 1.00 0.00 O ATOM 0 H ASP A 38 -11.126 -1.955 9.547 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.833 -2.894 10.276 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.906 -4.343 9.123 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.304 -4.450 10.765 1.00 0.00 H new ATOM 558 N SER A 39 -13.328 -1.611 12.443 1.00 0.00 N ATOM 559 CA SER A 39 -13.206 -1.179 13.830 1.00 0.00 C ATOM 560 C SER A 39 -13.139 -2.379 14.770 1.00 0.00 C ATOM 561 O SER A 39 -12.600 -2.290 15.874 1.00 0.00 O ATOM 562 CB SER A 39 -14.386 -0.283 14.213 1.00 0.00 C ATOM 563 OG SER A 39 -15.593 -1.023 14.264 1.00 0.00 O ATOM 0 H SER A 39 -14.068 -1.144 11.919 1.00 0.00 H new ATOM 0 HA SER A 39 -12.281 -0.611 13.927 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.197 0.178 15.183 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.482 0.526 13.489 1.00 0.00 H new ATOM 0 HG SER A 39 -16.331 -0.428 14.512 1.00 0.00 H new ATOM 569 N THR A 40 -13.690 -3.504 14.324 1.00 0.00 N ATOM 570 CA THR A 40 -13.695 -4.722 15.123 1.00 0.00 C ATOM 571 C THR A 40 -12.280 -5.122 15.525 1.00 0.00 C ATOM 572 O THR A 40 -11.975 -5.258 16.710 1.00 0.00 O ATOM 573 CB THR A 40 -14.349 -5.891 14.362 1.00 0.00 C ATOM 574 OG1 THR A 40 -15.664 -5.519 13.932 1.00 0.00 O ATOM 575 CG2 THR A 40 -14.429 -7.130 15.240 1.00 0.00 C ATOM 0 H THR A 40 -14.139 -3.596 13.413 1.00 0.00 H new ATOM 0 HA THR A 40 -14.278 -4.509 16.019 1.00 0.00 H new ATOM 0 HB THR A 40 -13.733 -6.121 13.492 1.00 0.00 H new ATOM 0 HG1 THR A 40 -15.647 -5.304 12.976 1.00 0.00 H new ATOM 0 HG21 THR A 40 -14.894 -7.942 14.682 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.425 -7.427 15.543 1.00 0.00 H new ATOM 0 HG23 THR A 40 -15.025 -6.910 16.126 1.00 0.00 H new ATOM 583 N SER A 41 -11.417 -5.308 14.530 1.00 0.00 N ATOM 584 CA SER A 41 -10.034 -5.695 14.781 1.00 0.00 C ATOM 585 C SER A 41 -9.071 -4.626 14.274 1.00 0.00 C ATOM 586 O SER A 41 -7.918 -4.916 13.956 1.00 0.00 O ATOM 587 CB SER A 41 -9.727 -7.034 14.108 1.00 0.00 C ATOM 588 OG SER A 41 -10.580 -8.056 14.594 1.00 0.00 O ATOM 0 H SER A 41 -11.652 -5.197 13.544 1.00 0.00 H new ATOM 0 HA SER A 41 -9.901 -5.799 15.858 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.847 -6.938 13.029 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.687 -7.306 14.290 1.00 0.00 H new ATOM 0 HG SER A 41 -10.365 -8.901 14.147 1.00 0.00 H new ATOM 594 N GLN A 42 -9.553 -3.389 14.202 1.00 0.00 N ATOM 595 CA GLN A 42 -8.735 -2.277 13.734 1.00 0.00 C ATOM 596 C GLN A 42 -8.010 -2.640 12.442 1.00 0.00 C ATOM 597 O GLN A 42 -6.918 -2.140 12.169 1.00 0.00 O ATOM 598 CB GLN A 42 -7.721 -1.875 14.806 1.00 0.00 C ATOM 599 CG GLN A 42 -8.358 -1.284 16.054 1.00 0.00 C ATOM 600 CD GLN A 42 -8.637 0.200 15.921 1.00 0.00 C ATOM 601 OE1 GLN A 42 -7.724 0.998 15.710 1.00 0.00 O ATOM 602 NE2 GLN A 42 -9.904 0.577 16.044 1.00 0.00 N ATOM 0 H GLN A 42 -10.505 -3.132 14.462 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.395 -1.433 13.534 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.135 -2.750 15.087 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.027 -1.149 14.384 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.291 -1.808 16.264 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.700 -1.451 16.907 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.629 -0.119 16.219 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.153 1.563 15.964 1.00 0.00 H new ATOM 611 N LEU A 43 -8.623 -3.514 11.651 1.00 0.00 N ATOM 612 CA LEU A 43 -8.036 -3.945 10.387 1.00 0.00 C ATOM 613 C LEU A 43 -8.600 -3.139 9.222 1.00 0.00 C ATOM 614 O LEU A 43 -9.815 -3.033 9.057 1.00 0.00 O ATOM 615 CB LEU A 43 -8.295 -5.436 10.164 1.00 0.00 C ATOM 616 CG LEU A 43 -7.486 -6.396 11.037 1.00 0.00 C ATOM 617 CD1 LEU A 43 -8.008 -7.817 10.893 1.00 0.00 C ATOM 618 CD2 LEU A 43 -6.009 -6.329 10.676 1.00 0.00 C ATOM 0 H LEU A 43 -9.526 -3.938 11.863 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.961 -3.773 10.436 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.354 -5.629 10.332 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.091 -5.667 9.119 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.599 -6.093 12.078 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.420 -8.486 11.521 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.053 -7.854 11.202 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.926 -8.131 9.852 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.449 -7.019 11.307 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.877 -6.606 9.630 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.642 -5.315 10.832 1.00 0.00 H new ATOM 630 N TYR A 44 -7.709 -2.575 8.414 1.00 0.00 N ATOM 631 CA TYR A 44 -8.118 -1.778 7.263 1.00 0.00 C ATOM 632 C TYR A 44 -8.003 -2.585 5.974 1.00 0.00 C ATOM 633 O TYR A 44 -6.929 -3.082 5.631 1.00 0.00 O ATOM 634 CB TYR A 44 -7.264 -0.513 7.164 1.00 0.00 C ATOM 635 CG TYR A 44 -7.697 0.585 8.109 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.544 0.445 9.483 1.00 0.00 C ATOM 637 CD2 TYR A 44 -8.259 1.761 7.629 1.00 0.00 C ATOM 638 CE1 TYR A 44 -7.938 1.445 10.351 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.654 2.767 8.489 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.492 2.604 9.849 1.00 0.00 C ATOM 641 OH TYR A 44 -8.886 3.603 10.710 1.00 0.00 O ATOM 0 H TYR A 44 -6.699 -2.655 8.535 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.161 -1.494 7.401 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.225 -0.769 7.370 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.303 -0.137 6.142 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.110 -0.461 9.879 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.389 1.891 6.565 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.813 1.320 11.416 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.087 3.676 8.099 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.255 4.351 10.196 1.00 0.00 H new ATOM 651 N THR A 45 -9.118 -2.711 5.261 1.00 0.00 N ATOM 652 CA THR A 45 -9.145 -3.458 4.009 1.00 0.00 C ATOM 653 C THR A 45 -8.651 -2.602 2.848 1.00 0.00 C ATOM 654 O THR A 45 -9.366 -1.726 2.361 1.00 0.00 O ATOM 655 CB THR A 45 -10.563 -3.968 3.690 1.00 0.00 C ATOM 656 OG1 THR A 45 -11.112 -4.636 4.831 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.541 -4.917 2.501 1.00 0.00 C ATOM 0 H THR A 45 -10.015 -2.305 5.529 1.00 0.00 H new ATOM 0 HA THR A 45 -8.480 -4.312 4.135 1.00 0.00 H new ATOM 0 HB THR A 45 -11.186 -3.110 3.438 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.014 -4.956 4.620 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.553 -5.264 2.294 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.150 -4.396 1.627 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.904 -5.771 2.729 1.00 0.00 H new ATOM 665 N VAL A 46 -7.424 -2.862 2.408 1.00 0.00 N ATOM 666 CA VAL A 46 -6.835 -2.116 1.302 1.00 0.00 C ATOM 667 C VAL A 46 -6.696 -2.991 0.062 1.00 0.00 C ATOM 668 O VAL A 46 -6.589 -4.214 0.159 1.00 0.00 O ATOM 669 CB VAL A 46 -5.452 -1.553 1.678 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.553 -0.661 2.906 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.462 -2.685 1.912 1.00 0.00 C ATOM 0 H VAL A 46 -6.819 -3.583 2.800 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.509 -1.287 1.085 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.088 -0.947 0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.566 -0.273 3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.227 0.170 2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.938 -1.240 3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.490 -2.269 2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.819 -3.319 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.367 -3.279 1.003 1.00 0.00 H new ATOM 681 N LYS A 47 -6.697 -2.358 -1.106 1.00 0.00 N ATOM 682 CA LYS A 47 -6.569 -3.077 -2.368 1.00 0.00 C ATOM 683 C LYS A 47 -5.306 -2.652 -3.111 1.00 0.00 C ATOM 684 O LYS A 47 -5.012 -1.462 -3.224 1.00 0.00 O ATOM 685 CB LYS A 47 -7.797 -2.831 -3.246 1.00 0.00 C ATOM 686 CG LYS A 47 -8.031 -3.917 -4.283 1.00 0.00 C ATOM 687 CD LYS A 47 -9.258 -3.623 -5.130 1.00 0.00 C ATOM 688 CE LYS A 47 -8.901 -2.808 -6.364 1.00 0.00 C ATOM 689 NZ LYS A 47 -10.096 -2.522 -7.205 1.00 0.00 N ATOM 0 H LYS A 47 -6.785 -1.347 -1.205 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.497 -4.141 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.678 -2.752 -2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.684 -1.873 -3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.155 -4.002 -4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.154 -4.878 -3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.725 -4.560 -5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.992 -3.080 -4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.439 -1.869 -6.058 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.162 -3.349 -6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.811 -1.965 -8.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.522 -3.417 -7.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.791 -1.984 -6.649 1.00 0.00 H new ATOM 703 N TYR A 48 -4.565 -3.631 -3.617 1.00 0.00 N ATOM 704 CA TYR A 48 -3.334 -3.358 -4.349 1.00 0.00 C ATOM 705 C TYR A 48 -3.606 -3.232 -5.845 1.00 0.00 C ATOM 706 O TYR A 48 -4.612 -3.730 -6.350 1.00 0.00 O ATOM 707 CB TYR A 48 -2.309 -4.465 -4.097 1.00 0.00 C ATOM 708 CG TYR A 48 -1.815 -4.519 -2.669 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.569 -5.130 -1.674 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.594 -3.959 -2.314 1.00 0.00 C ATOM 711 CE1 TYR A 48 -2.121 -5.181 -0.369 1.00 0.00 C ATOM 712 CE2 TYR A 48 -0.138 -4.007 -1.011 1.00 0.00 C ATOM 713 CZ TYR A 48 -0.905 -4.618 -0.042 1.00 0.00 C ATOM 714 OH TYR A 48 -0.455 -4.667 1.257 1.00 0.00 O ATOM 0 H TYR A 48 -4.795 -4.621 -3.534 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.931 -2.411 -3.990 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.754 -5.426 -4.355 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.458 -4.319 -4.762 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.521 -5.572 -1.926 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.009 -3.478 -3.070 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.720 -5.659 0.392 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.814 -3.568 -0.753 1.00 0.00 H new ATOM 0 HH TYR A 48 0.418 -4.226 1.318 1.00 0.00 H new ATOM 724 N LYS A 49 -2.700 -2.562 -6.549 1.00 0.00 N ATOM 725 CA LYS A 49 -2.838 -2.370 -7.988 1.00 0.00 C ATOM 726 C LYS A 49 -3.018 -3.707 -8.700 1.00 0.00 C ATOM 727 O LYS A 49 -3.798 -3.817 -9.647 1.00 0.00 O ATOM 728 CB LYS A 49 -1.613 -1.643 -8.547 1.00 0.00 C ATOM 729 CG LYS A 49 -0.299 -2.338 -8.234 1.00 0.00 C ATOM 730 CD LYS A 49 0.070 -3.345 -9.310 1.00 0.00 C ATOM 731 CE LYS A 49 0.811 -2.683 -10.462 1.00 0.00 C ATOM 732 NZ LYS A 49 0.846 -3.551 -11.671 1.00 0.00 N ATOM 0 H LYS A 49 -1.862 -2.143 -6.146 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.725 -1.762 -8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.717 -1.551 -9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.585 -0.631 -8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.494 -1.595 -8.143 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.374 -2.844 -7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.692 -4.129 -8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.833 -3.826 -9.685 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.329 -1.737 -10.708 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.830 -2.450 -10.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.359 -3.064 -12.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.329 -4.444 -11.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.126 -3.752 -11.982 1.00 0.00 H new ATOM 746 N ASP A 50 -2.293 -4.720 -8.239 1.00 0.00 N ATOM 747 CA ASP A 50 -2.374 -6.050 -8.831 1.00 0.00 C ATOM 748 C ASP A 50 -3.788 -6.612 -8.712 1.00 0.00 C ATOM 749 O ASP A 50 -4.158 -7.543 -9.426 1.00 0.00 O ATOM 750 CB ASP A 50 -1.379 -6.994 -8.155 1.00 0.00 C ATOM 751 CG ASP A 50 -0.049 -6.325 -7.869 1.00 0.00 C ATOM 752 OD1 ASP A 50 0.096 -5.732 -6.780 1.00 0.00 O ATOM 753 OD2 ASP A 50 0.848 -6.395 -8.735 1.00 0.00 O ATOM 0 H ASP A 50 -1.642 -4.645 -7.457 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.123 -5.966 -9.888 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.807 -7.360 -7.221 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.216 -7.863 -8.793 1.00 0.00 H new ATOM 758 N GLY A 51 -4.573 -6.039 -7.805 1.00 0.00 N ATOM 759 CA GLY A 51 -5.936 -6.497 -7.609 1.00 0.00 C ATOM 760 C GLY A 51 -6.060 -7.472 -6.455 1.00 0.00 C ATOM 761 O GLY A 51 -6.728 -8.500 -6.570 1.00 0.00 O ATOM 0 H GLY A 51 -4.290 -5.266 -7.203 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.582 -5.638 -7.426 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.291 -6.974 -8.523 1.00 0.00 H new ATOM 765 N THR A 52 -5.412 -7.152 -5.339 1.00 0.00 N ATOM 766 CA THR A 52 -5.450 -8.010 -4.161 1.00 0.00 C ATOM 767 C THR A 52 -5.955 -7.246 -2.942 1.00 0.00 C ATOM 768 O THR A 52 -5.622 -6.078 -2.749 1.00 0.00 O ATOM 769 CB THR A 52 -4.060 -8.594 -3.847 1.00 0.00 C ATOM 770 OG1 THR A 52 -3.550 -9.288 -4.991 1.00 0.00 O ATOM 771 CG2 THR A 52 -4.128 -9.544 -2.660 1.00 0.00 C ATOM 0 H THR A 52 -4.855 -6.305 -5.226 1.00 0.00 H new ATOM 0 HA THR A 52 -6.137 -8.826 -4.385 1.00 0.00 H new ATOM 0 HB THR A 52 -3.392 -7.770 -3.595 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.665 -9.655 -4.784 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.135 -9.944 -2.457 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.489 -9.006 -1.783 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.809 -10.363 -2.888 1.00 0.00 H new ATOM 779 N GLU A 53 -6.759 -7.916 -2.122 1.00 0.00 N ATOM 780 CA GLU A 53 -7.310 -7.299 -0.921 1.00 0.00 C ATOM 781 C GLU A 53 -6.769 -7.975 0.335 1.00 0.00 C ATOM 782 O GLU A 53 -6.715 -9.203 0.419 1.00 0.00 O ATOM 783 CB GLU A 53 -8.838 -7.375 -0.937 1.00 0.00 C ATOM 784 CG GLU A 53 -9.483 -6.464 -1.968 1.00 0.00 C ATOM 785 CD GLU A 53 -10.969 -6.722 -2.126 1.00 0.00 C ATOM 786 OE1 GLU A 53 -11.736 -6.353 -1.213 1.00 0.00 O ATOM 787 OE2 GLU A 53 -11.364 -7.293 -3.164 1.00 0.00 O ATOM 0 H GLU A 53 -7.043 -8.885 -2.267 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.006 -6.252 -0.909 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.140 -8.404 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.216 -7.116 0.052 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.327 -5.425 -1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.990 -6.603 -2.930 1.00 0.00 H new ATOM 794 N LEU A 54 -6.367 -7.165 1.309 1.00 0.00 N ATOM 795 CA LEU A 54 -5.829 -7.684 2.562 1.00 0.00 C ATOM 796 C LEU A 54 -6.235 -6.800 3.736 1.00 0.00 C ATOM 797 O LEU A 54 -6.789 -5.717 3.548 1.00 0.00 O ATOM 798 CB LEU A 54 -4.304 -7.779 2.484 1.00 0.00 C ATOM 799 CG LEU A 54 -3.740 -8.549 1.290 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.245 -8.305 1.155 1.00 0.00 C ATOM 801 CD2 LEU A 54 -4.028 -10.037 1.430 1.00 0.00 C ATOM 0 H LEU A 54 -6.403 -6.147 1.255 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.242 -8.680 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.898 -6.768 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.942 -8.250 3.398 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.230 -8.188 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.861 -8.861 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.062 -7.241 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.739 -8.638 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.619 -10.569 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.566 -10.413 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.105 -10.196 1.476 1.00 0.00 H new ATOM 813 N GLU A 55 -5.955 -7.269 4.948 1.00 0.00 N ATOM 814 CA GLU A 55 -6.291 -6.520 6.153 1.00 0.00 C ATOM 815 C GLU A 55 -5.031 -6.003 6.842 1.00 0.00 C ATOM 816 O GLU A 55 -4.241 -6.780 7.380 1.00 0.00 O ATOM 817 CB GLU A 55 -7.090 -7.396 7.119 1.00 0.00 C ATOM 818 CG GLU A 55 -8.588 -7.375 6.863 1.00 0.00 C ATOM 819 CD GLU A 55 -9.340 -8.375 7.720 1.00 0.00 C ATOM 820 OE1 GLU A 55 -8.909 -9.545 7.785 1.00 0.00 O ATOM 821 OE2 GLU A 55 -10.361 -7.986 8.326 1.00 0.00 O ATOM 0 H GLU A 55 -5.497 -8.164 5.121 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.901 -5.665 5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.732 -8.423 7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.900 -7.064 8.140 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.972 -6.374 7.058 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.776 -7.590 5.811 1.00 0.00 H new ATOM 828 N LEU A 56 -4.849 -4.688 6.819 1.00 0.00 N ATOM 829 CA LEU A 56 -3.684 -4.066 7.440 1.00 0.00 C ATOM 830 C LEU A 56 -4.101 -3.164 8.597 1.00 0.00 C ATOM 831 O LEU A 56 -4.994 -2.328 8.457 1.00 0.00 O ATOM 832 CB LEU A 56 -2.900 -3.257 6.405 1.00 0.00 C ATOM 833 CG LEU A 56 -2.587 -3.974 5.091 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.895 -3.029 4.120 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.727 -5.203 5.346 1.00 0.00 C ATOM 0 H LEU A 56 -5.493 -4.031 6.377 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.046 -4.858 7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.464 -2.353 6.177 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.960 -2.941 6.856 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.526 -4.299 4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.680 -3.556 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.546 -2.179 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.963 -2.674 4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.514 -5.701 4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.791 -4.901 5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.259 -5.889 6.005 1.00 0.00 H new ATOM 847 N LYS A 57 -3.447 -3.337 9.741 1.00 0.00 N ATOM 848 CA LYS A 57 -3.746 -2.536 10.923 1.00 0.00 C ATOM 849 C LYS A 57 -3.447 -1.062 10.671 1.00 0.00 C ATOM 850 O LYS A 57 -2.674 -0.721 9.777 1.00 0.00 O ATOM 851 CB LYS A 57 -2.935 -3.036 12.121 1.00 0.00 C ATOM 852 CG LYS A 57 -3.253 -4.467 12.516 1.00 0.00 C ATOM 853 CD LYS A 57 -2.652 -4.819 13.866 1.00 0.00 C ATOM 854 CE LYS A 57 -3.554 -4.379 15.009 1.00 0.00 C ATOM 855 NZ LYS A 57 -3.347 -2.947 15.360 1.00 0.00 N ATOM 0 H LYS A 57 -2.706 -4.025 9.875 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.809 -2.640 11.143 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.873 -2.960 11.887 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.121 -2.383 12.973 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.334 -4.604 12.551 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.869 -5.149 11.757 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.489 -5.895 13.923 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.677 -4.343 13.967 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.596 -4.538 14.731 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.360 -4.999 15.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.342 -2.840 16.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.437 -2.623 14.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.117 -2.376 14.957 1.00 0.00 H new ATOM 869 N GLU A 58 -4.063 -0.194 11.467 1.00 0.00 N ATOM 870 CA GLU A 58 -3.861 1.244 11.330 1.00 0.00 C ATOM 871 C GLU A 58 -2.373 1.584 11.300 1.00 0.00 C ATOM 872 O GLU A 58 -1.954 2.523 10.625 1.00 0.00 O ATOM 873 CB GLU A 58 -4.542 1.989 12.480 1.00 0.00 C ATOM 874 CG GLU A 58 -4.920 3.421 12.138 1.00 0.00 C ATOM 875 CD GLU A 58 -4.996 4.312 13.362 1.00 0.00 C ATOM 876 OE1 GLU A 58 -4.117 4.191 14.241 1.00 0.00 O ATOM 877 OE2 GLU A 58 -5.935 5.132 13.441 1.00 0.00 O ATOM 0 H GLU A 58 -4.706 -0.461 12.213 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.308 1.559 10.387 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.440 1.445 12.773 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.877 1.994 13.343 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.188 3.829 11.441 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.884 3.427 11.629 1.00 0.00 H new ATOM 884 N ASN A 59 -1.581 0.812 12.037 1.00 0.00 N ATOM 885 CA ASN A 59 -0.140 1.031 12.096 1.00 0.00 C ATOM 886 C ASN A 59 0.545 0.483 10.849 1.00 0.00 C ATOM 887 O ASN A 59 1.478 1.090 10.322 1.00 0.00 O ATOM 888 CB ASN A 59 0.446 0.371 13.346 1.00 0.00 C ATOM 889 CG ASN A 59 -0.153 0.921 14.626 1.00 0.00 C ATOM 890 OD1 ASN A 59 -1.366 1.107 14.726 1.00 0.00 O ATOM 891 ND2 ASN A 59 0.696 1.183 15.612 1.00 0.00 N ATOM 0 H ASN A 59 -1.912 0.030 12.601 1.00 0.00 H new ATOM 0 HA ASN A 59 0.038 2.105 12.143 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.274 -0.704 13.300 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.526 0.520 13.360 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.351 1.554 16.497 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.694 1.013 15.485 1.00 0.00 H new ATOM 898 N ASP A 60 0.075 -0.668 10.380 1.00 0.00 N ATOM 899 CA ASP A 60 0.641 -1.299 9.193 1.00 0.00 C ATOM 900 C ASP A 60 0.542 -0.371 7.986 1.00 0.00 C ATOM 901 O ASP A 60 1.343 -0.461 7.055 1.00 0.00 O ATOM 902 CB ASP A 60 -0.075 -2.618 8.899 1.00 0.00 C ATOM 903 CG ASP A 60 0.154 -3.655 9.981 1.00 0.00 C ATOM 904 OD1 ASP A 60 1.304 -3.775 10.452 1.00 0.00 O ATOM 905 OD2 ASP A 60 -0.816 -4.347 10.355 1.00 0.00 O ATOM 0 H ASP A 60 -0.697 -1.183 10.804 1.00 0.00 H new ATOM 0 HA ASP A 60 1.694 -1.503 9.387 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.144 -2.433 8.798 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.272 -3.011 7.944 1.00 0.00 H new ATOM 910 N ILE A 61 -0.446 0.517 8.008 1.00 0.00 N ATOM 911 CA ILE A 61 -0.649 1.460 6.916 1.00 0.00 C ATOM 912 C ILE A 61 0.105 2.761 7.165 1.00 0.00 C ATOM 913 O ILE A 61 -0.023 3.373 8.226 1.00 0.00 O ATOM 914 CB ILE A 61 -2.143 1.776 6.716 1.00 0.00 C ATOM 915 CG1 ILE A 61 -2.937 0.484 6.512 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.333 2.713 5.532 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.413 0.713 6.273 1.00 0.00 C ATOM 0 H ILE A 61 -1.118 0.603 8.770 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.262 0.986 6.014 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.517 2.273 7.611 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.520 -0.059 5.664 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.814 -0.151 7.389 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.394 2.927 5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.795 3.643 5.714 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.946 2.241 4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.913 -0.246 6.137 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.845 1.229 7.131 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.547 1.322 5.379 1.00 0.00 H new ATOM 929 N LYS A 62 0.891 3.181 6.180 1.00 0.00 N ATOM 930 CA LYS A 62 1.665 4.412 6.290 1.00 0.00 C ATOM 931 C LYS A 62 1.285 5.394 5.187 1.00 0.00 C ATOM 932 O LYS A 62 0.984 4.993 4.062 1.00 0.00 O ATOM 933 CB LYS A 62 3.163 4.105 6.220 1.00 0.00 C ATOM 934 CG LYS A 62 3.633 3.125 7.280 1.00 0.00 C ATOM 935 CD LYS A 62 3.779 3.796 8.635 1.00 0.00 C ATOM 936 CE LYS A 62 4.113 2.787 9.724 1.00 0.00 C ATOM 937 NZ LYS A 62 5.582 2.608 9.882 1.00 0.00 N ATOM 0 H LYS A 62 1.009 2.687 5.296 1.00 0.00 H new ATOM 0 HA LYS A 62 1.438 4.869 7.253 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.397 3.701 5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.721 5.035 6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.923 2.301 7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.589 2.695 6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.563 4.552 8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.853 4.313 8.888 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.684 3.118 10.670 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.654 1.828 9.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.808 2.462 10.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.892 1.780 9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.074 3.456 9.536 1.00 0.00 H new ATOM 951 N SER A 63 1.301 6.682 5.515 1.00 0.00 N ATOM 952 CA SER A 63 0.955 7.721 4.552 1.00 0.00 C ATOM 953 C SER A 63 1.787 8.978 4.788 1.00 0.00 C ATOM 954 O SER A 63 2.429 9.126 5.827 1.00 0.00 O ATOM 955 CB SER A 63 -0.534 8.057 4.645 1.00 0.00 C ATOM 956 OG SER A 63 -0.851 8.629 5.903 1.00 0.00 O ATOM 0 H SER A 63 1.550 7.031 6.441 1.00 0.00 H new ATOM 0 HA SER A 63 1.173 7.343 3.553 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.804 8.750 3.848 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.124 7.153 4.494 1.00 0.00 H new ATOM 0 HG SER A 63 -1.808 8.836 5.936 1.00 0.00 H new