USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=16 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 HD1:sc= -15.8! C(o=-16!,f=-9.7!) USER MOD Set 1.2: 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 160:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.707 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.00532 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= 0.54 (180deg=0.381) USER MOD Single : A 48 TYR OH : rot 180:sc=-0.000285 USER MOD Single : A 49 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00771) 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 K(o=0,f=-1.3) USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0.771 (180deg=0.758) USER MOD Single : A 63 SER OG : rot -160:sc= -0.605 USER MOD ----------------------------------------------------------------- ATOM 132 N LYS A 12 -7.860 8.163 10.218 1.00 0.00 N ATOM 133 CA LYS A 12 -6.494 8.350 9.744 1.00 0.00 C ATOM 134 C LYS A 12 -6.430 8.264 8.222 1.00 0.00 C ATOM 135 O LYS A 12 -5.656 8.976 7.582 1.00 0.00 O ATOM 136 CB LYS A 12 -5.569 7.301 10.364 1.00 0.00 C ATOM 137 CG LYS A 12 -4.139 7.782 10.545 1.00 0.00 C ATOM 138 CD LYS A 12 -3.212 6.642 10.930 1.00 0.00 C ATOM 139 CE LYS A 12 -1.754 7.074 10.897 1.00 0.00 C ATOM 140 NZ LYS A 12 -1.409 7.952 12.049 1.00 0.00 N ATOM 0 HA LYS A 12 -6.163 9.343 10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.969 7.004 11.333 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.567 6.412 9.733 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.789 8.241 9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.108 8.553 11.315 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.465 6.287 11.929 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.360 5.805 10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.114 6.192 10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.553 7.602 9.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.407 8.225 11.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.002 8.806 12.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.577 7.440 12.938 1.00 0.00 H new ATOM 154 N PHE A 13 -7.250 7.389 7.648 1.00 0.00 N ATOM 155 CA PHE A 13 -7.286 7.211 6.202 1.00 0.00 C ATOM 156 C PHE A 13 -8.724 7.205 5.690 1.00 0.00 C ATOM 157 O PHE A 13 -9.555 6.423 6.153 1.00 0.00 O ATOM 158 CB PHE A 13 -6.588 5.907 5.809 1.00 0.00 C ATOM 159 CG PHE A 13 -5.320 5.653 6.574 1.00 0.00 C ATOM 160 CD1 PHE A 13 -4.165 6.359 6.280 1.00 0.00 C ATOM 161 CD2 PHE A 13 -5.284 4.707 7.586 1.00 0.00 C ATOM 162 CE1 PHE A 13 -2.997 6.126 6.981 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.119 4.470 8.291 1.00 0.00 C ATOM 164 CZ PHE A 13 -2.974 5.182 7.989 1.00 0.00 C ATOM 0 H PHE A 13 -7.898 6.793 8.163 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.759 8.049 5.745 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.273 5.075 5.970 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.361 5.932 4.743 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.177 7.100 5.494 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.177 4.148 7.827 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.103 6.682 6.741 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.104 3.729 9.077 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.063 5.001 8.540 1.00 0.00 H new ATOM 174 N ALA A 14 -9.009 8.082 4.734 1.00 0.00 N ATOM 175 CA ALA A 14 -10.345 8.177 4.158 1.00 0.00 C ATOM 176 C ALA A 14 -10.620 7.012 3.214 1.00 0.00 C ATOM 177 O ALA A 14 -9.701 6.462 2.607 1.00 0.00 O ATOM 178 CB ALA A 14 -10.512 9.501 3.428 1.00 0.00 C ATOM 0 H ALA A 14 -8.333 8.737 4.342 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.069 8.130 4.972 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.514 9.558 3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.367 10.323 4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.774 9.571 2.629 1.00 0.00 H new ATOM 184 N ASP A 15 -11.890 6.641 3.094 1.00 0.00 N ATOM 185 CA ASP A 15 -12.286 5.540 2.223 1.00 0.00 C ATOM 186 C ASP A 15 -12.005 5.876 0.762 1.00 0.00 C ATOM 187 O ASP A 15 -12.641 6.756 0.183 1.00 0.00 O ATOM 188 CB ASP A 15 -13.770 5.223 2.410 1.00 0.00 C ATOM 189 CG ASP A 15 -14.658 6.422 2.140 1.00 0.00 C ATOM 190 OD1 ASP A 15 -14.396 7.496 2.721 1.00 0.00 O ATOM 191 OD2 ASP A 15 -15.614 6.287 1.348 1.00 0.00 O ATOM 0 H ASP A 15 -12.663 7.086 3.589 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.698 4.663 2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.051 4.409 1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.938 4.872 3.428 1.00 0.00 H new ATOM 196 N GLY A 16 -11.047 5.169 0.171 1.00 0.00 N ATOM 197 CA GLY A 16 -10.697 5.408 -1.218 1.00 0.00 C ATOM 198 C GLY A 16 -9.339 6.063 -1.369 1.00 0.00 C ATOM 199 O GLY A 16 -8.727 5.998 -2.435 1.00 0.00 O ATOM 0 H GLY A 16 -10.507 4.435 0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.703 4.462 -1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.456 6.042 -1.677 1.00 0.00 H new ATOM 203 N GLU A 17 -8.867 6.698 -0.300 1.00 0.00 N ATOM 204 CA GLU A 17 -7.573 7.370 -0.321 1.00 0.00 C ATOM 205 C GLU A 17 -6.460 6.396 -0.701 1.00 0.00 C ATOM 206 O GLU A 17 -6.517 5.212 -0.370 1.00 0.00 O ATOM 207 CB GLU A 17 -7.275 7.994 1.043 1.00 0.00 C ATOM 208 CG GLU A 17 -6.411 9.241 0.967 1.00 0.00 C ATOM 209 CD GLU A 17 -5.045 8.969 0.367 1.00 0.00 C ATOM 210 OE1 GLU A 17 -4.196 8.381 1.069 1.00 0.00 O ATOM 211 OE2 GLU A 17 -4.825 9.343 -0.804 1.00 0.00 O ATOM 0 H GLU A 17 -9.361 6.761 0.590 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.615 8.159 -1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.217 8.244 1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.777 7.255 1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.922 9.997 0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.288 9.655 1.968 1.00 0.00 H new ATOM 218 N VAL A 18 -5.450 6.905 -1.399 1.00 0.00 N ATOM 219 CA VAL A 18 -4.324 6.082 -1.824 1.00 0.00 C ATOM 220 C VAL A 18 -3.162 6.191 -0.843 1.00 0.00 C ATOM 221 O VAL A 18 -2.456 7.199 -0.810 1.00 0.00 O ATOM 222 CB VAL A 18 -3.834 6.482 -3.228 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.723 5.553 -3.692 1.00 0.00 C ATOM 224 CG2 VAL A 18 -4.991 6.478 -4.216 1.00 0.00 C ATOM 0 H VAL A 18 -5.388 7.883 -1.682 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.678 5.052 -1.851 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.431 7.493 -3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.390 5.852 -4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.886 5.611 -2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.096 4.529 -3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.627 6.763 -5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.425 5.479 -4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.750 7.189 -3.890 1.00 0.00 H new ATOM 234 N VAL A 19 -2.969 5.147 -0.044 1.00 0.00 N ATOM 235 CA VAL A 19 -1.891 5.124 0.938 1.00 0.00 C ATOM 236 C VAL A 19 -0.947 3.953 0.691 1.00 0.00 C ATOM 237 O VAL A 19 -1.120 3.193 -0.262 1.00 0.00 O ATOM 238 CB VAL A 19 -2.442 5.031 2.374 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.259 6.269 2.714 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.274 3.770 2.544 1.00 0.00 C ATOM 0 H VAL A 19 -3.545 4.305 -0.057 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.342 6.059 0.827 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.601 4.980 3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.640 6.185 3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.628 7.154 2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.095 6.355 2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.655 3.720 3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.110 3.789 1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.654 2.896 2.345 1.00 0.00 H new ATOM 250 N ARG A 20 0.053 3.814 1.556 1.00 0.00 N ATOM 251 CA ARG A 20 1.026 2.735 1.431 1.00 0.00 C ATOM 252 C ARG A 20 0.896 1.749 2.588 1.00 0.00 C ATOM 253 O ARG A 20 1.016 2.125 3.754 1.00 0.00 O ATOM 254 CB ARG A 20 2.445 3.303 1.387 1.00 0.00 C ATOM 255 CG ARG A 20 2.642 4.370 0.323 1.00 0.00 C ATOM 256 CD ARG A 20 4.093 4.448 -0.126 1.00 0.00 C ATOM 257 NE ARG A 20 4.324 5.565 -1.038 1.00 0.00 N ATOM 258 CZ ARG A 20 4.459 6.824 -0.637 1.00 0.00 C ATOM 259 NH1 ARG A 20 4.387 7.125 0.652 1.00 0.00 N ATOM 260 NH2 ARG A 20 4.668 7.786 -1.527 1.00 0.00 N ATOM 0 H ARG A 20 0.210 4.434 2.350 1.00 0.00 H new ATOM 0 HA ARG A 20 0.826 2.204 0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.689 3.725 2.362 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.147 2.489 1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.006 4.152 -0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.329 5.338 0.714 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.737 4.553 0.747 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.371 3.515 -0.617 1.00 0.00 H new ATOM 0 HE ARG A 20 4.385 5.368 -2.037 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.227 6.389 1.340 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.491 8.093 0.956 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.725 7.559 -2.520 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.772 8.753 -1.218 1.00 0.00 H new ATOM 274 N GLY A 21 0.649 0.485 2.258 1.00 0.00 N ATOM 275 CA GLY A 21 0.506 -0.535 3.280 1.00 0.00 C ATOM 276 C GLY A 21 1.626 -1.555 3.242 1.00 0.00 C ATOM 277 O GLY A 21 2.113 -1.912 2.169 1.00 0.00 O ATOM 0 H GLY A 21 0.545 0.149 1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.484 -0.061 4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.449 -1.044 3.150 1.00 0.00 H new ATOM 281 N ARG A 22 2.037 -2.025 4.415 1.00 0.00 N ATOM 282 CA ARG A 22 3.110 -3.008 4.511 1.00 0.00 C ATOM 283 C ARG A 22 2.576 -4.419 4.281 1.00 0.00 C ATOM 284 O ARG A 22 1.872 -4.972 5.126 1.00 0.00 O ATOM 285 CB ARG A 22 3.786 -2.924 5.881 1.00 0.00 C ATOM 286 CG ARG A 22 5.200 -3.481 5.897 1.00 0.00 C ATOM 287 CD ARG A 22 5.848 -3.316 7.263 1.00 0.00 C ATOM 288 NE ARG A 22 7.301 -3.194 7.168 1.00 0.00 N ATOM 289 CZ ARG A 22 8.050 -2.605 8.093 1.00 0.00 C ATOM 290 NH1 ARG A 22 7.487 -2.087 9.176 1.00 0.00 N ATOM 291 NH2 ARG A 22 9.366 -2.533 7.935 1.00 0.00 N ATOM 0 H ARG A 22 1.643 -1.741 5.312 1.00 0.00 H new ATOM 0 HA ARG A 22 3.844 -2.785 3.737 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.811 -1.882 6.201 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.182 -3.467 6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.179 -4.537 5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.801 -2.972 5.144 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.441 -2.431 7.753 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.596 -4.172 7.890 1.00 0.00 H new ATOM 0 HE ARG A 22 7.765 -3.582 6.347 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.476 -2.140 9.300 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.065 -1.635 9.885 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.802 -2.930 7.103 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.941 -2.081 8.646 1.00 0.00 H new ATOM 305 N TRP A 23 2.915 -4.994 3.133 1.00 0.00 N ATOM 306 CA TRP A 23 2.469 -6.340 2.792 1.00 0.00 C ATOM 307 C TRP A 23 2.511 -7.253 4.012 1.00 0.00 C ATOM 308 O TRP A 23 3.442 -7.210 4.817 1.00 0.00 O ATOM 309 CB TRP A 23 3.339 -6.920 1.675 1.00 0.00 C ATOM 310 CG TRP A 23 2.687 -8.052 0.942 1.00 0.00 C ATOM 311 CD1 TRP A 23 2.964 -9.383 1.076 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.651 -7.953 -0.042 1.00 0.00 C ATOM 313 NE1 TRP A 23 2.162 -10.117 0.235 1.00 0.00 N ATOM 314 CE2 TRP A 23 1.347 -9.263 -0.460 1.00 0.00 C ATOM 315 CE3 TRP A 23 0.949 -6.885 -0.607 1.00 0.00 C ATOM 316 CZ2 TRP A 23 0.373 -9.531 -1.419 1.00 0.00 C ATOM 317 CZ3 TRP A 23 -0.017 -7.153 -1.559 1.00 0.00 C ATOM 318 CH2 TRP A 23 -0.299 -8.467 -1.956 1.00 0.00 C ATOM 0 H TRP A 23 3.497 -4.550 2.423 1.00 0.00 H new ATOM 0 HA TRP A 23 1.438 -6.277 2.444 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.582 -6.129 0.965 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.281 -7.267 2.101 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.704 -9.797 1.744 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.172 -11.133 0.143 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.157 -5.869 -0.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 0.156 -10.543 -1.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.564 -6.335 -2.005 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.062 -8.643 -2.700 1.00 0.00 H new ATOM 329 N PRO A 24 1.482 -8.101 4.154 1.00 0.00 N ATOM 330 CA PRO A 24 1.379 -9.041 5.274 1.00 0.00 C ATOM 331 C PRO A 24 2.414 -10.158 5.190 1.00 0.00 C ATOM 332 O PRO A 24 2.433 -11.064 6.021 1.00 0.00 O ATOM 333 CB PRO A 24 -0.034 -9.610 5.131 1.00 0.00 C ATOM 334 CG PRO A 24 -0.359 -9.460 3.685 1.00 0.00 C ATOM 335 CD PRO A 24 0.338 -8.207 3.232 1.00 0.00 C ATOM 0 HA PRO A 24 1.562 -8.555 6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.073 -10.655 5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.744 -9.067 5.755 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.016 -10.324 3.116 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.436 -9.385 3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.664 -8.281 2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.315 -7.337 3.300 1.00 0.00 H new ATOM 343 N GLY A 25 3.275 -10.086 4.179 1.00 0.00 N ATOM 344 CA GLY A 25 4.301 -11.097 4.005 1.00 0.00 C ATOM 345 C GLY A 25 5.690 -10.500 3.892 1.00 0.00 C ATOM 346 O GLY A 25 6.682 -11.152 4.219 1.00 0.00 O ATOM 0 H GLY A 25 3.280 -9.345 3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.273 -11.787 4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.085 -11.679 3.109 1.00 0.00 H new ATOM 350 N SER A 26 5.762 -9.258 3.425 1.00 0.00 N ATOM 351 CA SER A 26 7.041 -8.575 3.264 1.00 0.00 C ATOM 352 C SER A 26 7.068 -7.278 4.066 1.00 0.00 C ATOM 353 O SER A 26 6.026 -6.686 4.347 1.00 0.00 O ATOM 354 CB SER A 26 7.302 -8.279 1.786 1.00 0.00 C ATOM 355 OG SER A 26 8.681 -8.056 1.546 1.00 0.00 O ATOM 0 H SER A 26 4.950 -8.704 3.151 1.00 0.00 H new ATOM 0 HA SER A 26 7.826 -9.231 3.640 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.954 -9.114 1.178 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.730 -7.403 1.481 1.00 0.00 H new ATOM 0 HG SER A 26 8.873 -8.187 0.594 1.00 0.00 H new ATOM 361 N SER A 27 8.269 -6.841 4.432 1.00 0.00 N ATOM 362 CA SER A 27 8.434 -5.616 5.206 1.00 0.00 C ATOM 363 C SER A 27 8.519 -4.401 4.287 1.00 0.00 C ATOM 364 O SER A 27 9.158 -3.401 4.618 1.00 0.00 O ATOM 365 CB SER A 27 9.691 -5.702 6.074 1.00 0.00 C ATOM 366 OG SER A 27 9.659 -6.850 6.905 1.00 0.00 O ATOM 0 H SER A 27 9.142 -7.317 4.205 1.00 0.00 H new ATOM 0 HA SER A 27 7.563 -5.502 5.851 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.575 -5.735 5.437 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.774 -4.806 6.689 1.00 0.00 H new ATOM 0 HG SER A 27 10.474 -6.883 7.448 1.00 0.00 H new ATOM 372 N LEU A 28 7.871 -4.495 3.132 1.00 0.00 N ATOM 373 CA LEU A 28 7.872 -3.404 2.163 1.00 0.00 C ATOM 374 C LEU A 28 6.473 -2.818 2.001 1.00 0.00 C ATOM 375 O LEU A 28 5.474 -3.531 2.103 1.00 0.00 O ATOM 376 CB LEU A 28 8.390 -3.896 0.811 1.00 0.00 C ATOM 377 CG LEU A 28 9.820 -4.439 0.798 1.00 0.00 C ATOM 378 CD1 LEU A 28 10.033 -5.352 -0.400 1.00 0.00 C ATOM 379 CD2 LEU A 28 10.824 -3.297 0.785 1.00 0.00 C ATOM 0 H LEU A 28 7.338 -5.315 2.843 1.00 0.00 H new ATOM 0 HA LEU A 28 8.533 -2.622 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.722 -4.679 0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.329 -3.073 0.099 1.00 0.00 H new ATOM 0 HG LEU A 28 9.975 -5.022 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.056 -5.729 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.337 -6.189 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.859 -4.793 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.836 -3.702 0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.669 -2.687 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.687 -2.682 1.675 1.00 0.00 H new ATOM 391 N TYR A 29 6.408 -1.516 1.747 1.00 0.00 N ATOM 392 CA TYR A 29 5.131 -0.834 1.571 1.00 0.00 C ATOM 393 C TYR A 29 4.853 -0.571 0.094 1.00 0.00 C ATOM 394 O TYR A 29 5.730 -0.123 -0.645 1.00 0.00 O ATOM 395 CB TYR A 29 5.122 0.485 2.345 1.00 0.00 C ATOM 396 CG TYR A 29 5.337 0.315 3.832 1.00 0.00 C ATOM 397 CD1 TYR A 29 6.545 -0.159 4.330 1.00 0.00 C ATOM 398 CD2 TYR A 29 4.333 0.630 4.739 1.00 0.00 C ATOM 399 CE1 TYR A 29 6.745 -0.316 5.688 1.00 0.00 C ATOM 400 CE2 TYR A 29 4.525 0.477 6.099 1.00 0.00 C ATOM 401 CZ TYR A 29 5.732 0.003 6.568 1.00 0.00 C ATOM 402 OH TYR A 29 5.928 -0.150 7.921 1.00 0.00 O ATOM 0 H TYR A 29 7.225 -0.911 1.658 1.00 0.00 H new ATOM 0 HA TYR A 29 4.346 -1.482 1.961 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.900 1.136 1.946 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.169 0.988 2.179 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.341 -0.409 3.644 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.386 1.001 4.375 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.689 -0.686 6.058 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.734 0.727 6.791 1.00 0.00 H new ATOM 0 HH TYR A 29 5.118 0.120 8.402 1.00 0.00 H new ATOM 412 N TYR A 30 3.626 -0.854 -0.330 1.00 0.00 N ATOM 413 CA TYR A 30 3.231 -0.650 -1.718 1.00 0.00 C ATOM 414 C TYR A 30 2.030 0.286 -1.811 1.00 0.00 C ATOM 415 O TYR A 30 1.339 0.526 -0.822 1.00 0.00 O ATOM 416 CB TYR A 30 2.899 -1.990 -2.378 1.00 0.00 C ATOM 417 CG TYR A 30 4.016 -3.005 -2.282 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.218 -2.809 -2.950 1.00 0.00 C ATOM 419 CD2 TYR A 30 3.869 -4.160 -1.524 1.00 0.00 C ATOM 420 CE1 TYR A 30 6.241 -3.733 -2.866 1.00 0.00 C ATOM 421 CE2 TYR A 30 4.887 -5.090 -1.434 1.00 0.00 C ATOM 422 CZ TYR A 30 6.071 -4.872 -2.106 1.00 0.00 C ATOM 423 OH TYR A 30 7.087 -5.796 -2.020 1.00 0.00 O ATOM 0 H TYR A 30 2.888 -1.225 0.268 1.00 0.00 H new ATOM 0 HA TYR A 30 4.068 -0.191 -2.243 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.004 -2.403 -1.913 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.663 -1.820 -3.428 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.355 -1.918 -3.545 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.943 -4.334 -0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.169 -3.565 -3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.756 -5.983 -0.841 1.00 0.00 H new ATOM 0 HH TYR A 30 6.806 -6.538 -1.445 1.00 0.00 H new ATOM 433 N GLU A 31 1.788 0.811 -3.009 1.00 0.00 N ATOM 434 CA GLU A 31 0.671 1.721 -3.232 1.00 0.00 C ATOM 435 C GLU A 31 -0.659 0.975 -3.172 1.00 0.00 C ATOM 436 O GLU A 31 -1.008 0.233 -4.090 1.00 0.00 O ATOM 437 CB GLU A 31 0.817 2.421 -4.585 1.00 0.00 C ATOM 438 CG GLU A 31 -0.204 3.523 -4.813 1.00 0.00 C ATOM 439 CD GLU A 31 0.108 4.363 -6.036 1.00 0.00 C ATOM 440 OE1 GLU A 31 1.052 5.178 -5.971 1.00 0.00 O ATOM 441 OE2 GLU A 31 -0.591 4.205 -7.058 1.00 0.00 O ATOM 0 H GLU A 31 2.350 0.622 -3.839 1.00 0.00 H new ATOM 0 HA GLU A 31 0.682 2.471 -2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.819 2.844 -4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.724 1.681 -5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.193 3.079 -4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.241 4.167 -3.934 1.00 0.00 H new ATOM 448 N VAL A 32 -1.396 1.178 -2.085 1.00 0.00 N ATOM 449 CA VAL A 32 -2.688 0.526 -1.905 1.00 0.00 C ATOM 450 C VAL A 32 -3.784 1.546 -1.620 1.00 0.00 C ATOM 451 O VAL A 32 -3.514 2.637 -1.118 1.00 0.00 O ATOM 452 CB VAL A 32 -2.644 -0.499 -0.756 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.619 -1.585 -1.048 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.339 0.194 0.563 1.00 0.00 C ATOM 0 H VAL A 32 -1.121 1.789 -1.316 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.913 0.007 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.623 -0.971 -0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.602 -2.300 -0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.887 -2.100 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.633 -1.134 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.312 -0.545 1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.372 0.693 0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.114 0.930 0.775 1.00 0.00 H new ATOM 464 N GLU A 33 -5.021 1.184 -1.944 1.00 0.00 N ATOM 465 CA GLU A 33 -6.158 2.069 -1.722 1.00 0.00 C ATOM 466 C GLU A 33 -7.000 1.589 -0.543 1.00 0.00 C ATOM 467 O GLU A 33 -7.076 0.391 -0.268 1.00 0.00 O ATOM 468 CB GLU A 33 -7.024 2.149 -2.981 1.00 0.00 C ATOM 469 CG GLU A 33 -8.446 2.613 -2.714 1.00 0.00 C ATOM 470 CD GLU A 33 -9.119 3.175 -3.951 1.00 0.00 C ATOM 471 OE1 GLU A 33 -8.452 3.915 -4.704 1.00 0.00 O ATOM 472 OE2 GLU A 33 -10.312 2.874 -4.167 1.00 0.00 O ATOM 0 H GLU A 33 -5.261 0.285 -2.361 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.772 3.062 -1.491 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.556 2.831 -3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.054 1.167 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.032 1.776 -2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.435 3.374 -1.934 1.00 0.00 H new ATOM 479 N ILE A 34 -7.629 2.532 0.150 1.00 0.00 N ATOM 480 CA ILE A 34 -8.465 2.206 1.299 1.00 0.00 C ATOM 481 C ILE A 34 -9.880 1.840 0.863 1.00 0.00 C ATOM 482 O ILE A 34 -10.556 2.621 0.192 1.00 0.00 O ATOM 483 CB ILE A 34 -8.534 3.378 2.296 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.132 3.741 2.788 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.438 3.024 3.467 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.518 2.693 3.690 1.00 0.00 C ATOM 0 H ILE A 34 -7.576 3.528 -0.064 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.005 1.348 1.790 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.955 4.245 1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.482 3.894 1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.178 4.689 3.325 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.477 3.862 4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.442 2.810 3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.044 2.146 3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.525 3.017 4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.147 2.557 4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.440 1.749 3.150 1.00 0.00 H new ATOM 498 N LEU A 35 -10.322 0.649 1.250 1.00 0.00 N ATOM 499 CA LEU A 35 -11.659 0.179 0.902 1.00 0.00 C ATOM 500 C LEU A 35 -12.629 0.388 2.060 1.00 0.00 C ATOM 501 O LEU A 35 -13.697 0.975 1.889 1.00 0.00 O ATOM 502 CB LEU A 35 -11.616 -1.301 0.518 1.00 0.00 C ATOM 503 CG LEU A 35 -10.537 -1.703 -0.489 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.521 -3.212 -0.680 1.00 0.00 C ATOM 505 CD2 LEU A 35 -10.760 -0.997 -1.819 1.00 0.00 C ATOM 0 H LEU A 35 -9.775 -0.009 1.805 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.011 0.760 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.474 -1.887 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.588 -1.578 0.109 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.567 -1.397 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.747 -3.479 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.313 -3.697 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.491 -3.542 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.983 -1.295 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.736 -1.272 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.720 0.082 -1.669 1.00 0.00 H new ATOM 517 N SER A 36 -12.249 -0.096 3.238 1.00 0.00 N ATOM 518 CA SER A 36 -13.086 0.037 4.425 1.00 0.00 C ATOM 519 C SER A 36 -12.243 -0.034 5.695 1.00 0.00 C ATOM 520 O SER A 36 -11.016 -0.113 5.636 1.00 0.00 O ATOM 521 CB SER A 36 -14.154 -1.058 4.446 1.00 0.00 C ATOM 522 OG SER A 36 -15.317 -0.623 5.129 1.00 0.00 O ATOM 0 H SER A 36 -11.367 -0.584 3.396 1.00 0.00 H new ATOM 0 HA SER A 36 -13.574 1.011 4.388 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.412 -1.339 3.425 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.756 -1.949 4.931 1.00 0.00 H new ATOM 0 HG SER A 36 -15.985 -1.340 5.127 1.00 0.00 H new ATOM 528 N HIS A 37 -12.912 -0.005 6.843 1.00 0.00 N ATOM 529 CA HIS A 37 -12.226 -0.066 8.129 1.00 0.00 C ATOM 530 C HIS A 37 -13.093 -0.760 9.175 1.00 0.00 C ATOM 531 O HIS A 37 -14.303 -0.900 8.998 1.00 0.00 O ATOM 532 CB HIS A 37 -11.861 1.340 8.604 1.00 0.00 C ATOM 533 CG HIS A 37 -11.307 1.378 9.995 1.00 0.00 C ATOM 534 ND1 HIS A 37 -11.903 2.075 11.024 1.00 0.00 N ATOM 535 CD2 HIS A 37 -10.204 0.798 10.525 1.00 0.00 C ATOM 536 CE1 HIS A 37 -11.191 1.923 12.126 1.00 0.00 C ATOM 537 NE2 HIS A 37 -10.155 1.152 11.850 1.00 0.00 N ATOM 0 H HIS A 37 -13.928 0.060 6.909 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.312 -0.645 7.998 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.129 1.767 7.919 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.748 1.972 8.558 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -9.495 0.173 10.002 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -11.418 2.356 13.089 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -9.435 0.866 12.514 1.00 0.00 H new ATOM 546 N ASP A 38 -12.466 -1.193 10.263 1.00 0.00 N ATOM 547 CA ASP A 38 -13.181 -1.872 11.338 1.00 0.00 C ATOM 548 C ASP A 38 -12.799 -1.291 12.696 1.00 0.00 C ATOM 549 O ASP A 38 -11.848 -0.518 12.806 1.00 0.00 O ATOM 550 CB ASP A 38 -12.883 -3.372 11.309 1.00 0.00 C ATOM 551 CG ASP A 38 -13.523 -4.066 10.123 1.00 0.00 C ATOM 552 OD1 ASP A 38 -12.969 -3.968 9.008 1.00 0.00 O ATOM 553 OD2 ASP A 38 -14.579 -4.708 10.309 1.00 0.00 O ATOM 0 H ASP A 38 -11.465 -1.086 10.424 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.249 -1.719 11.185 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.804 -3.525 11.277 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -13.242 -3.829 12.231 1.00 0.00 H new ATOM 558 N SER A 39 -13.548 -1.669 13.727 1.00 0.00 N ATOM 559 CA SER A 39 -13.292 -1.182 15.077 1.00 0.00 C ATOM 560 C SER A 39 -12.862 -2.323 15.994 1.00 0.00 C ATOM 561 O SER A 39 -11.973 -2.162 16.831 1.00 0.00 O ATOM 562 CB SER A 39 -14.540 -0.501 15.643 1.00 0.00 C ATOM 563 OG SER A 39 -14.439 -0.337 17.047 1.00 0.00 O ATOM 0 H SER A 39 -14.337 -2.311 13.653 1.00 0.00 H new ATOM 0 HA SER A 39 -12.482 -0.455 15.026 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.674 0.471 15.169 1.00 0.00 H new ATOM 0 HB3 SER A 39 -15.422 -1.096 15.406 1.00 0.00 H new ATOM 0 HG SER A 39 -15.248 0.102 17.384 1.00 0.00 H new ATOM 569 N THR A 40 -13.500 -3.478 15.830 1.00 0.00 N ATOM 570 CA THR A 40 -13.185 -4.647 16.642 1.00 0.00 C ATOM 571 C THR A 40 -11.777 -5.154 16.354 1.00 0.00 C ATOM 572 O THR A 40 -10.938 -5.227 17.251 1.00 0.00 O ATOM 573 CB THR A 40 -14.190 -5.788 16.396 1.00 0.00 C ATOM 574 OG1 THR A 40 -15.529 -5.299 16.531 1.00 0.00 O ATOM 575 CG2 THR A 40 -13.961 -6.930 17.374 1.00 0.00 C ATOM 0 H THR A 40 -14.238 -3.629 15.142 1.00 0.00 H new ATOM 0 HA THR A 40 -13.249 -4.334 17.684 1.00 0.00 H new ATOM 0 HB THR A 40 -14.041 -6.162 15.383 1.00 0.00 H new ATOM 0 HG1 THR A 40 -16.162 -6.030 16.371 1.00 0.00 H new ATOM 0 HG21 THR A 40 -14.682 -7.724 17.181 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.951 -7.319 17.249 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.086 -6.566 18.394 1.00 0.00 H new ATOM 583 N SER A 41 -11.524 -5.503 15.096 1.00 0.00 N ATOM 584 CA SER A 41 -10.217 -6.007 14.691 1.00 0.00 C ATOM 585 C SER A 41 -9.324 -4.869 14.205 1.00 0.00 C ATOM 586 O SER A 41 -8.122 -5.050 14.013 1.00 0.00 O ATOM 587 CB SER A 41 -10.371 -7.056 13.589 1.00 0.00 C ATOM 588 OG SER A 41 -10.856 -6.472 12.392 1.00 0.00 O ATOM 0 H SER A 41 -12.207 -5.446 14.340 1.00 0.00 H new ATOM 0 HA SER A 41 -9.747 -6.469 15.559 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.410 -7.534 13.401 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.056 -7.837 13.919 1.00 0.00 H new ATOM 0 HG SER A 41 -10.944 -7.163 11.703 1.00 0.00 H new ATOM 594 N GLN A 42 -9.922 -3.699 14.007 1.00 0.00 N ATOM 595 CA GLN A 42 -9.181 -2.532 13.542 1.00 0.00 C ATOM 596 C GLN A 42 -8.291 -2.889 12.356 1.00 0.00 C ATOM 597 O GLN A 42 -7.142 -2.453 12.274 1.00 0.00 O ATOM 598 CB GLN A 42 -8.331 -1.956 14.677 1.00 0.00 C ATOM 599 CG GLN A 42 -9.092 -1.790 15.982 1.00 0.00 C ATOM 600 CD GLN A 42 -8.570 -0.639 16.819 1.00 0.00 C ATOM 601 OE1 GLN A 42 -7.429 -0.660 17.282 1.00 0.00 O ATOM 602 NE2 GLN A 42 -9.405 0.374 17.019 1.00 0.00 N ATOM 0 H GLN A 42 -10.917 -3.534 14.161 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.902 -1.781 13.219 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.475 -2.609 14.846 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.938 -0.987 14.370 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.148 -1.627 15.764 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.024 -2.713 16.558 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.342 0.350 16.616 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.109 1.176 17.575 1.00 0.00 H new ATOM 611 N LEU A 43 -8.829 -3.685 11.439 1.00 0.00 N ATOM 612 CA LEU A 43 -8.083 -4.102 10.256 1.00 0.00 C ATOM 613 C LEU A 43 -8.574 -3.363 9.015 1.00 0.00 C ATOM 614 O LEU A 43 -9.716 -3.536 8.588 1.00 0.00 O ATOM 615 CB LEU A 43 -8.217 -5.612 10.050 1.00 0.00 C ATOM 616 CG LEU A 43 -7.324 -6.490 10.928 1.00 0.00 C ATOM 617 CD1 LEU A 43 -7.745 -7.948 10.828 1.00 0.00 C ATOM 618 CD2 LEU A 43 -5.863 -6.327 10.533 1.00 0.00 C ATOM 0 H LEU A 43 -9.778 -4.055 11.491 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.033 -3.855 10.413 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.255 -5.892 10.227 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.000 -5.837 9.006 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.438 -6.170 11.964 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.098 -8.558 11.459 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.778 -8.052 11.159 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.661 -8.281 9.794 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.242 -6.959 11.168 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.733 -6.620 9.491 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.567 -5.285 10.657 1.00 0.00 H new ATOM 630 N TYR A 44 -7.704 -2.542 8.439 1.00 0.00 N ATOM 631 CA TYR A 44 -8.048 -1.777 7.246 1.00 0.00 C ATOM 632 C TYR A 44 -7.919 -2.635 5.992 1.00 0.00 C ATOM 633 O TYR A 44 -6.855 -3.187 5.709 1.00 0.00 O ATOM 634 CB TYR A 44 -7.151 -0.544 7.129 1.00 0.00 C ATOM 635 CG TYR A 44 -7.522 0.569 8.084 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.231 0.474 9.439 1.00 0.00 C ATOM 637 CD2 TYR A 44 -8.165 1.714 7.630 1.00 0.00 C ATOM 638 CE1 TYR A 44 -7.569 1.487 10.315 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.505 2.733 8.499 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.205 2.615 9.840 1.00 0.00 C ATOM 641 OH TYR A 44 -8.544 3.627 10.709 1.00 0.00 O ATOM 0 H TYR A 44 -6.755 -2.389 8.779 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.085 -1.456 7.338 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.118 -0.838 7.312 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.199 -0.166 6.108 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.732 -0.407 9.814 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.403 1.809 6.581 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.337 1.396 11.366 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.003 3.617 8.130 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.984 4.349 10.214 1.00 0.00 H new ATOM 651 N THR A 45 -9.011 -2.743 5.241 1.00 0.00 N ATOM 652 CA THR A 45 -9.022 -3.534 4.017 1.00 0.00 C ATOM 653 C THR A 45 -8.590 -2.697 2.818 1.00 0.00 C ATOM 654 O THR A 45 -9.360 -1.885 2.306 1.00 0.00 O ATOM 655 CB THR A 45 -10.419 -4.123 3.741 1.00 0.00 C ATOM 656 OG1 THR A 45 -10.866 -4.875 4.875 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.395 -5.016 2.511 1.00 0.00 C ATOM 0 H THR A 45 -9.899 -2.292 5.460 1.00 0.00 H new ATOM 0 HA THR A 45 -8.314 -4.350 4.161 1.00 0.00 H new ATOM 0 HB THR A 45 -11.108 -3.298 3.558 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.755 -5.245 4.693 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.392 -5.421 2.336 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.082 -4.433 1.644 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.694 -5.835 2.670 1.00 0.00 H new ATOM 665 N VAL A 46 -7.354 -2.901 2.375 1.00 0.00 N ATOM 666 CA VAL A 46 -6.820 -2.166 1.234 1.00 0.00 C ATOM 667 C VAL A 46 -6.734 -3.055 -0.001 1.00 0.00 C ATOM 668 O VAL A 46 -6.607 -4.275 0.106 1.00 0.00 O ATOM 669 CB VAL A 46 -5.423 -1.594 1.539 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.478 -0.659 2.738 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.427 -2.719 1.776 1.00 0.00 C ATOM 0 H VAL A 46 -6.703 -3.569 2.788 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.507 -1.343 1.038 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.089 -1.019 0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.482 -0.265 2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.158 0.166 2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.833 -1.207 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.445 -2.297 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.755 -3.323 2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.366 -3.345 0.886 1.00 0.00 H new ATOM 681 N LYS A 47 -6.805 -2.436 -1.175 1.00 0.00 N ATOM 682 CA LYS A 47 -6.734 -3.170 -2.433 1.00 0.00 C ATOM 683 C LYS A 47 -5.519 -2.738 -3.247 1.00 0.00 C ATOM 684 O LYS A 47 -5.294 -1.546 -3.459 1.00 0.00 O ATOM 685 CB LYS A 47 -8.011 -2.952 -3.247 1.00 0.00 C ATOM 686 CG LYS A 47 -8.271 -4.039 -4.275 1.00 0.00 C ATOM 687 CD LYS A 47 -9.675 -3.943 -4.847 1.00 0.00 C ATOM 688 CE LYS A 47 -9.834 -4.811 -6.086 1.00 0.00 C ATOM 689 NZ LYS A 47 -9.938 -6.256 -5.741 1.00 0.00 N ATOM 0 H LYS A 47 -6.912 -1.427 -1.281 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.635 -4.230 -2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.861 -2.897 -2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.947 -1.990 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.542 -3.959 -5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.131 -5.017 -3.815 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.398 -4.250 -4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.897 -2.906 -5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.725 -4.503 -6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.983 -4.656 -6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.326 -6.779 -6.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.994 -6.627 -5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.566 -6.373 -4.920 1.00 0.00 H new ATOM 703 N TYR A 48 -4.740 -3.713 -3.701 1.00 0.00 N ATOM 704 CA TYR A 48 -3.547 -3.432 -4.491 1.00 0.00 C ATOM 705 C TYR A 48 -3.874 -3.406 -5.981 1.00 0.00 C ATOM 706 O TYR A 48 -4.823 -4.047 -6.433 1.00 0.00 O ATOM 707 CB TYR A 48 -2.468 -4.480 -4.214 1.00 0.00 C ATOM 708 CG TYR A 48 -1.965 -4.468 -2.788 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.777 -4.884 -1.740 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.677 -4.040 -2.488 1.00 0.00 C ATOM 711 CE1 TYR A 48 -2.322 -4.874 -0.436 1.00 0.00 C ATOM 712 CE2 TYR A 48 -0.213 -4.028 -1.187 1.00 0.00 C ATOM 713 CZ TYR A 48 -1.040 -4.446 -0.165 1.00 0.00 C ATOM 714 OH TYR A 48 -0.582 -4.434 1.133 1.00 0.00 O ATOM 0 H TYR A 48 -4.913 -4.705 -3.536 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.174 -2.450 -4.201 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.866 -5.469 -4.442 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.628 -4.312 -4.888 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.782 -5.221 -1.949 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.028 -3.711 -3.286 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.967 -5.200 0.367 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.791 -3.693 -0.971 1.00 0.00 H new ATOM 0 HH TYR A 48 0.341 -4.106 1.151 1.00 0.00 H new ATOM 724 N LYS A 49 -3.081 -2.658 -6.741 1.00 0.00 N ATOM 725 CA LYS A 49 -3.283 -2.547 -8.181 1.00 0.00 C ATOM 726 C LYS A 49 -3.751 -3.875 -8.769 1.00 0.00 C ATOM 727 O LYS A 49 -4.897 -4.003 -9.202 1.00 0.00 O ATOM 728 CB LYS A 49 -1.988 -2.103 -8.865 1.00 0.00 C ATOM 729 CG LYS A 49 -2.211 -1.408 -10.197 1.00 0.00 C ATOM 730 CD LYS A 49 -0.896 -1.023 -10.853 1.00 0.00 C ATOM 731 CE LYS A 49 -1.085 0.094 -11.868 1.00 0.00 C ATOM 732 NZ LYS A 49 -1.941 -0.333 -13.009 1.00 0.00 N ATOM 0 H LYS A 49 -2.292 -2.119 -6.383 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.056 -1.799 -8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.448 -1.430 -8.199 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.352 -2.975 -9.021 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.771 -2.065 -10.862 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.818 -0.515 -10.045 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.186 -0.705 -10.089 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.465 -1.895 -11.346 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.536 0.957 -11.378 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.112 0.413 -12.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.004 0.439 -13.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.524 -1.172 -13.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.893 -0.564 -12.661 1.00 0.00 H new ATOM 746 N ASP A 50 -2.860 -4.859 -8.780 1.00 0.00 N ATOM 747 CA ASP A 50 -3.183 -6.178 -9.312 1.00 0.00 C ATOM 748 C ASP A 50 -4.635 -6.542 -9.015 1.00 0.00 C ATOM 749 O ASP A 50 -5.315 -7.145 -9.844 1.00 0.00 O ATOM 750 CB ASP A 50 -2.248 -7.234 -8.720 1.00 0.00 C ATOM 751 CG ASP A 50 -2.697 -8.647 -9.035 1.00 0.00 C ATOM 752 OD1 ASP A 50 -3.156 -8.884 -10.172 1.00 0.00 O ATOM 753 OD2 ASP A 50 -2.589 -9.516 -8.145 1.00 0.00 O ATOM 0 H ASP A 50 -1.907 -4.769 -8.426 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.047 -6.150 -10.393 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.241 -7.081 -9.107 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.197 -7.105 -7.639 1.00 0.00 H new ATOM 758 N GLY A 51 -5.102 -6.173 -7.826 1.00 0.00 N ATOM 759 CA GLY A 51 -6.469 -6.471 -7.441 1.00 0.00 C ATOM 760 C GLY A 51 -6.545 -7.400 -6.246 1.00 0.00 C ATOM 761 O GLY A 51 -7.420 -8.264 -6.176 1.00 0.00 O ATOM 0 H GLY A 51 -4.558 -5.673 -7.123 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.989 -5.541 -7.208 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.990 -6.925 -8.284 1.00 0.00 H new ATOM 765 N THR A 52 -5.625 -7.225 -5.303 1.00 0.00 N ATOM 766 CA THR A 52 -5.590 -8.056 -4.106 1.00 0.00 C ATOM 767 C THR A 52 -6.068 -7.281 -2.884 1.00 0.00 C ATOM 768 O THR A 52 -5.657 -6.143 -2.660 1.00 0.00 O ATOM 769 CB THR A 52 -4.172 -8.593 -3.837 1.00 0.00 C ATOM 770 OG1 THR A 52 -3.732 -9.393 -4.940 1.00 0.00 O ATOM 771 CG2 THR A 52 -4.139 -9.421 -2.560 1.00 0.00 C ATOM 0 H THR A 52 -4.894 -6.515 -5.345 1.00 0.00 H new ATOM 0 HA THR A 52 -6.261 -8.896 -4.285 1.00 0.00 H new ATOM 0 HB THR A 52 -3.503 -7.741 -3.717 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.829 -9.729 -4.761 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.127 -9.789 -2.391 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.445 -8.802 -1.717 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.821 -10.266 -2.656 1.00 0.00 H new ATOM 779 N GLU A 53 -6.937 -7.905 -2.095 1.00 0.00 N ATOM 780 CA GLU A 53 -7.471 -7.272 -0.895 1.00 0.00 C ATOM 781 C GLU A 53 -6.906 -7.926 0.362 1.00 0.00 C ATOM 782 O GLU A 53 -7.058 -9.130 0.571 1.00 0.00 O ATOM 783 CB GLU A 53 -8.999 -7.355 -0.884 1.00 0.00 C ATOM 784 CG GLU A 53 -9.656 -6.630 -2.047 1.00 0.00 C ATOM 785 CD GLU A 53 -11.125 -6.977 -2.195 1.00 0.00 C ATOM 786 OE1 GLU A 53 -11.755 -7.339 -1.179 1.00 0.00 O ATOM 787 OE2 GLU A 53 -11.644 -6.887 -3.327 1.00 0.00 O ATOM 0 H GLU A 53 -7.286 -8.848 -2.265 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.172 -6.224 -0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.298 -8.403 -0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.371 -6.936 0.051 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.553 -5.554 -1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.132 -6.881 -2.969 1.00 0.00 H new ATOM 794 N LEU A 54 -6.253 -7.125 1.196 1.00 0.00 N ATOM 795 CA LEU A 54 -5.664 -7.624 2.434 1.00 0.00 C ATOM 796 C LEU A 54 -6.115 -6.790 3.628 1.00 0.00 C ATOM 797 O LEU A 54 -6.738 -5.741 3.464 1.00 0.00 O ATOM 798 CB LEU A 54 -4.137 -7.612 2.337 1.00 0.00 C ATOM 799 CG LEU A 54 -3.540 -8.247 1.081 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.044 -7.980 1.007 1.00 0.00 C ATOM 801 CD2 LEU A 54 -3.817 -9.743 1.056 1.00 0.00 C ATOM 0 H LEU A 54 -6.118 -6.126 1.038 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.005 -8.649 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.797 -6.578 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.733 -8.128 3.208 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.013 -7.795 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.636 -8.440 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.867 -6.905 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.555 -8.404 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.385 -10.178 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.372 -10.210 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.894 -9.914 1.061 1.00 0.00 H new ATOM 813 N GLU A 55 -5.794 -7.261 4.829 1.00 0.00 N ATOM 814 CA GLU A 55 -6.166 -6.557 6.050 1.00 0.00 C ATOM 815 C GLU A 55 -4.928 -6.065 6.793 1.00 0.00 C ATOM 816 O GLU A 55 -4.101 -6.861 7.240 1.00 0.00 O ATOM 817 CB GLU A 55 -6.992 -7.469 6.960 1.00 0.00 C ATOM 818 CG GLU A 55 -8.484 -7.424 6.675 1.00 0.00 C ATOM 819 CD GLU A 55 -9.233 -8.582 7.304 1.00 0.00 C ATOM 820 OE1 GLU A 55 -9.125 -9.712 6.783 1.00 0.00 O ATOM 821 OE2 GLU A 55 -9.927 -8.359 8.318 1.00 0.00 O ATOM 0 H GLU A 55 -5.277 -8.127 4.982 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.768 -5.693 5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.640 -8.495 6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.820 -7.184 7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.893 -6.485 7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.645 -7.435 5.597 1.00 0.00 H new ATOM 828 N LEU A 56 -4.806 -4.748 6.921 1.00 0.00 N ATOM 829 CA LEU A 56 -3.668 -4.148 7.609 1.00 0.00 C ATOM 830 C LEU A 56 -4.135 -3.197 8.706 1.00 0.00 C ATOM 831 O LEU A 56 -4.932 -2.291 8.461 1.00 0.00 O ATOM 832 CB LEU A 56 -2.782 -3.399 6.613 1.00 0.00 C ATOM 833 CG LEU A 56 -2.466 -4.135 5.310 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.762 -3.208 4.331 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.616 -5.367 5.586 1.00 0.00 C ATOM 0 H LEU A 56 -5.481 -4.075 6.557 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.090 -4.949 8.070 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.266 -2.455 6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.841 -3.155 7.106 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.405 -4.459 4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.545 -3.749 3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.406 -2.357 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.830 -2.853 4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.401 -5.878 4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.681 -5.066 6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.157 -6.041 6.251 1.00 0.00 H new ATOM 847 N LYS A 57 -3.633 -3.408 9.918 1.00 0.00 N ATOM 848 CA LYS A 57 -3.995 -2.569 11.054 1.00 0.00 C ATOM 849 C LYS A 57 -3.674 -1.104 10.772 1.00 0.00 C ATOM 850 O LYS A 57 -2.960 -0.788 9.821 1.00 0.00 O ATOM 851 CB LYS A 57 -3.256 -3.031 12.312 1.00 0.00 C ATOM 852 CG LYS A 57 -3.882 -4.247 12.973 1.00 0.00 C ATOM 853 CD LYS A 57 -3.573 -4.295 14.460 1.00 0.00 C ATOM 854 CE LYS A 57 -4.561 -3.462 15.261 1.00 0.00 C ATOM 855 NZ LYS A 57 -4.757 -4.004 16.635 1.00 0.00 N ATOM 0 H LYS A 57 -2.973 -4.154 10.139 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.069 -2.663 11.216 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.223 -3.261 12.052 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.230 -2.211 13.030 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.962 -4.227 12.825 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.512 -5.153 12.494 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.602 -5.328 14.806 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.561 -3.929 14.635 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.203 -2.434 15.323 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.519 -3.435 14.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.437 -3.409 17.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.123 -4.976 16.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.848 -4.006 17.140 1.00 0.00 H new ATOM 869 N GLU A 58 -4.205 -0.216 11.606 1.00 0.00 N ATOM 870 CA GLU A 58 -3.973 1.215 11.446 1.00 0.00 C ATOM 871 C GLU A 58 -2.481 1.531 11.473 1.00 0.00 C ATOM 872 O GLU A 58 -2.027 2.490 10.850 1.00 0.00 O ATOM 873 CB GLU A 58 -4.692 1.997 12.547 1.00 0.00 C ATOM 874 CG GLU A 58 -4.844 3.478 12.242 1.00 0.00 C ATOM 875 CD GLU A 58 -5.206 4.292 13.469 1.00 0.00 C ATOM 876 OE1 GLU A 58 -6.158 3.903 14.178 1.00 0.00 O ATOM 877 OE2 GLU A 58 -4.540 5.318 13.720 1.00 0.00 O ATOM 0 H GLU A 58 -4.798 -0.462 12.399 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.372 1.516 10.477 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.680 1.564 12.703 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.142 1.882 13.481 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.912 3.856 11.822 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.614 3.611 11.482 1.00 0.00 H new ATOM 884 N ASN A 59 -1.723 0.718 12.201 1.00 0.00 N ATOM 885 CA ASN A 59 -0.282 0.910 12.312 1.00 0.00 C ATOM 886 C ASN A 59 0.432 0.410 11.060 1.00 0.00 C ATOM 887 O ASN A 59 1.385 1.029 10.587 1.00 0.00 O ATOM 888 CB ASN A 59 0.258 0.183 13.545 1.00 0.00 C ATOM 889 CG ASN A 59 -0.183 0.836 14.841 1.00 0.00 C ATOM 890 OD1 ASN A 59 -0.654 1.973 14.847 1.00 0.00 O ATOM 891 ND2 ASN A 59 -0.031 0.117 15.947 1.00 0.00 N ATOM 0 H ASN A 59 -2.083 -0.081 12.723 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.091 1.978 12.416 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.081 -0.853 13.530 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.347 0.163 13.504 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.309 0.504 16.849 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.364 -0.822 15.895 1.00 0.00 H new ATOM 898 N ASP A 60 -0.037 -0.714 10.528 1.00 0.00 N ATOM 899 CA ASP A 60 0.554 -1.297 9.329 1.00 0.00 C ATOM 900 C ASP A 60 0.424 -0.348 8.142 1.00 0.00 C ATOM 901 O ASP A 60 1.113 -0.502 7.133 1.00 0.00 O ATOM 902 CB ASP A 60 -0.112 -2.635 9.005 1.00 0.00 C ATOM 903 CG ASP A 60 0.214 -3.707 10.026 1.00 0.00 C ATOM 904 OD1 ASP A 60 0.372 -3.364 11.216 1.00 0.00 O ATOM 905 OD2 ASP A 60 0.313 -4.889 9.634 1.00 0.00 O ATOM 0 H ASP A 60 -0.824 -1.239 10.908 1.00 0.00 H new ATOM 0 HA ASP A 60 1.614 -1.465 9.521 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.192 -2.498 8.959 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.209 -2.968 8.018 1.00 0.00 H new ATOM 910 N ILE A 61 -0.465 0.631 8.269 1.00 0.00 N ATOM 911 CA ILE A 61 -0.686 1.604 7.206 1.00 0.00 C ATOM 912 C ILE A 61 -0.139 2.974 7.593 1.00 0.00 C ATOM 913 O ILE A 61 -0.296 3.419 8.730 1.00 0.00 O ATOM 914 CB ILE A 61 -2.182 1.738 6.867 1.00 0.00 C ATOM 915 CG1 ILE A 61 -2.790 0.361 6.592 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.373 2.656 5.668 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.282 0.398 6.343 1.00 0.00 C ATOM 0 H ILE A 61 -1.044 0.772 9.097 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.155 1.238 6.328 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.696 2.177 7.722 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.296 -0.079 5.726 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.587 -0.293 7.440 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.436 2.741 5.440 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.971 3.643 5.898 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.849 2.243 4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.645 -0.613 6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.787 0.808 7.218 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.491 1.025 5.476 1.00 0.00 H new ATOM 929 N LYS A 62 0.502 3.641 6.639 1.00 0.00 N ATOM 930 CA LYS A 62 1.070 4.962 6.877 1.00 0.00 C ATOM 931 C LYS A 62 1.059 5.797 5.601 1.00 0.00 C ATOM 932 O LYS A 62 1.351 5.294 4.516 1.00 0.00 O ATOM 933 CB LYS A 62 2.500 4.838 7.406 1.00 0.00 C ATOM 934 CG LYS A 62 3.462 4.204 6.416 1.00 0.00 C ATOM 935 CD LYS A 62 4.904 4.565 6.731 1.00 0.00 C ATOM 936 CE LYS A 62 5.760 4.589 5.473 1.00 0.00 C ATOM 937 NZ LYS A 62 6.358 3.256 5.184 1.00 0.00 N ATOM 0 H LYS A 62 0.641 3.287 5.692 1.00 0.00 H new ATOM 0 HA LYS A 62 0.456 5.464 7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.867 5.829 7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.490 4.245 8.321 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.344 3.121 6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.216 4.533 5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.939 5.541 7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.315 3.844 7.438 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.152 4.906 4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.554 5.326 5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.878 3.296 4.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.011 2.995 5.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.603 2.544 5.116 1.00 0.00 H new ATOM 951 N SER A 63 0.722 7.076 5.738 1.00 0.00 N ATOM 952 CA SER A 63 0.672 7.980 4.595 1.00 0.00 C ATOM 953 C SER A 63 1.499 9.235 4.858 1.00 0.00 C ATOM 954 O SER A 63 1.837 9.540 6.000 1.00 0.00 O ATOM 955 CB SER A 63 -0.776 8.364 4.285 1.00 0.00 C ATOM 956 OG SER A 63 -0.935 8.690 2.915 1.00 0.00 O ATOM 0 H SER A 63 0.480 7.509 6.629 1.00 0.00 H new ATOM 0 HA SER A 63 1.095 7.462 3.734 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.438 7.538 4.545 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.070 9.214 4.901 1.00 0.00 H new ATOM 0 HG SER A 63 -1.749 9.222 2.798 1.00 0.00 H new