USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 408 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 HIS : no HE2:sc= -3.29! K(o=-3.9!,f=-5.3) USER MOD Set 1.2: A 42 GLN : amide:sc= -0.632 X(o=-3.9,f=-4) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 11:sc= 0.693 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 100:sc= 0.148 USER MOD Single : A 41 SER OG : rot 180:sc= 0 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 90:sc= 0.478 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 117:sc= 1.3 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N LYS A 12 -7.598 8.507 10.126 1.00 0.00 N ATOM 133 CA LYS A 12 -6.221 8.480 9.646 1.00 0.00 C ATOM 134 C LYS A 12 -6.176 8.310 8.131 1.00 0.00 C ATOM 135 O LYS A 12 -5.344 8.914 7.454 1.00 0.00 O ATOM 136 CB LYS A 12 -5.447 7.345 10.321 1.00 0.00 C ATOM 137 CG LYS A 12 -3.940 7.537 10.294 1.00 0.00 C ATOM 138 CD LYS A 12 -3.251 6.689 11.350 1.00 0.00 C ATOM 139 CE LYS A 12 -1.801 7.105 11.539 1.00 0.00 C ATOM 140 NZ LYS A 12 -1.680 8.324 12.386 1.00 0.00 N ATOM 0 HA LYS A 12 -5.755 9.432 9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.775 7.258 11.357 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.694 6.405 9.828 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.556 7.274 9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.703 8.588 10.459 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.783 6.781 12.297 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.295 5.639 11.061 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.245 6.287 11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.347 7.292 10.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.676 8.575 12.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.189 9.111 11.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.090 8.138 13.323 1.00 0.00 H new ATOM 154 N PHE A 13 -7.076 7.487 7.605 1.00 0.00 N ATOM 155 CA PHE A 13 -7.139 7.238 6.170 1.00 0.00 C ATOM 156 C PHE A 13 -8.584 7.246 5.679 1.00 0.00 C ATOM 157 O PHE A 13 -9.401 6.432 6.108 1.00 0.00 O ATOM 158 CB PHE A 13 -6.482 5.898 5.833 1.00 0.00 C ATOM 159 CG PHE A 13 -5.170 5.682 6.533 1.00 0.00 C ATOM 160 CD1 PHE A 13 -4.049 6.411 6.172 1.00 0.00 C ATOM 161 CD2 PHE A 13 -5.059 4.749 7.551 1.00 0.00 C ATOM 162 CE1 PHE A 13 -2.841 6.213 6.814 1.00 0.00 C ATOM 163 CE2 PHE A 13 -3.854 4.547 8.197 1.00 0.00 C ATOM 164 CZ PHE A 13 -2.744 5.280 7.829 1.00 0.00 C ATOM 0 H PHE A 13 -7.773 6.981 8.151 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.597 8.037 5.665 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.164 5.091 6.099 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.324 5.840 4.756 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.120 7.142 5.380 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.924 4.173 7.843 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.974 6.787 6.523 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.781 3.816 8.989 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.802 5.125 8.333 1.00 0.00 H new ATOM 174 N ALA A 14 -8.891 8.173 4.778 1.00 0.00 N ATOM 175 CA ALA A 14 -10.236 8.287 4.227 1.00 0.00 C ATOM 176 C ALA A 14 -10.485 7.224 3.162 1.00 0.00 C ATOM 177 O ALA A 14 -9.549 6.733 2.531 1.00 0.00 O ATOM 178 CB ALA A 14 -10.454 9.677 3.649 1.00 0.00 C ATOM 0 H ALA A 14 -8.227 8.856 4.414 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.948 8.127 5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.462 9.747 3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.327 10.422 4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.729 9.859 2.856 1.00 0.00 H new ATOM 184 N ASP A 15 -11.752 6.874 2.967 1.00 0.00 N ATOM 185 CA ASP A 15 -12.124 5.870 1.977 1.00 0.00 C ATOM 186 C ASP A 15 -11.721 6.314 0.575 1.00 0.00 C ATOM 187 O ASP A 15 -11.871 7.481 0.215 1.00 0.00 O ATOM 188 CB ASP A 15 -13.629 5.604 2.030 1.00 0.00 C ATOM 189 CG ASP A 15 -14.152 4.984 0.749 1.00 0.00 C ATOM 190 OD1 ASP A 15 -14.023 5.624 -0.315 1.00 0.00 O ATOM 191 OD2 ASP A 15 -14.692 3.860 0.811 1.00 0.00 O ATOM 0 H ASP A 15 -12.538 7.271 3.481 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.592 4.948 2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.849 4.941 2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.154 6.540 2.218 1.00 0.00 H new ATOM 196 N GLY A 16 -11.209 5.374 -0.214 1.00 0.00 N ATOM 197 CA GLY A 16 -10.792 5.688 -1.568 1.00 0.00 C ATOM 198 C GLY A 16 -9.396 6.277 -1.623 1.00 0.00 C ATOM 199 O GLY A 16 -8.736 6.228 -2.660 1.00 0.00 O ATOM 0 H GLY A 16 -11.076 4.401 0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.825 4.783 -2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.498 6.392 -2.008 1.00 0.00 H new ATOM 203 N GLU A 17 -8.947 6.836 -0.504 1.00 0.00 N ATOM 204 CA GLU A 17 -7.621 7.438 -0.431 1.00 0.00 C ATOM 205 C GLU A 17 -6.540 6.420 -0.782 1.00 0.00 C ATOM 206 O GLU A 17 -6.627 5.251 -0.406 1.00 0.00 O ATOM 207 CB GLU A 17 -7.369 8.003 0.969 1.00 0.00 C ATOM 208 CG GLU A 17 -6.344 9.124 0.999 1.00 0.00 C ATOM 209 CD GLU A 17 -6.649 10.219 -0.005 1.00 0.00 C ATOM 210 OE1 GLU A 17 -7.829 10.363 -0.387 1.00 0.00 O ATOM 211 OE2 GLU A 17 -5.707 10.933 -0.408 1.00 0.00 O ATOM 0 H GLU A 17 -9.481 6.885 0.364 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.580 8.251 -1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.310 8.372 1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.033 7.197 1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.310 9.553 2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.355 8.713 0.794 1.00 0.00 H new ATOM 218 N VAL A 18 -5.522 6.872 -1.507 1.00 0.00 N ATOM 219 CA VAL A 18 -4.424 6.002 -1.909 1.00 0.00 C ATOM 220 C VAL A 18 -3.217 6.180 -0.994 1.00 0.00 C ATOM 221 O VAL A 18 -2.488 7.166 -1.096 1.00 0.00 O ATOM 222 CB VAL A 18 -3.995 6.274 -3.363 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.860 5.347 -3.769 1.00 0.00 C ATOM 224 CG2 VAL A 18 -5.181 6.122 -4.305 1.00 0.00 C ATOM 0 H VAL A 18 -5.435 7.836 -1.828 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.788 4.978 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.634 7.300 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.571 5.555 -4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.005 5.510 -3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.189 4.311 -3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.860 6.318 -5.328 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.573 5.107 -4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.960 6.832 -4.027 1.00 0.00 H new ATOM 234 N VAL A 19 -3.013 5.218 -0.099 1.00 0.00 N ATOM 235 CA VAL A 19 -1.894 5.267 0.834 1.00 0.00 C ATOM 236 C VAL A 19 -1.007 4.036 0.693 1.00 0.00 C ATOM 237 O VAL A 19 -1.245 3.180 -0.159 1.00 0.00 O ATOM 238 CB VAL A 19 -2.382 5.372 2.291 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.113 6.686 2.516 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.274 4.189 2.639 1.00 0.00 C ATOM 0 H VAL A 19 -3.608 4.396 -0.001 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.315 6.157 0.588 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.514 5.350 2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.450 6.742 3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.439 7.517 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.974 6.742 1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.610 4.278 3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.139 4.178 1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.713 3.262 2.519 1.00 0.00 H new ATOM 250 N ARG A 20 0.017 3.951 1.536 1.00 0.00 N ATOM 251 CA ARG A 20 0.941 2.824 1.506 1.00 0.00 C ATOM 252 C ARG A 20 0.606 1.817 2.602 1.00 0.00 C ATOM 253 O ARG A 20 0.484 2.175 3.773 1.00 0.00 O ATOM 254 CB ARG A 20 2.381 3.313 1.671 1.00 0.00 C ATOM 255 CG ARG A 20 2.742 4.468 0.752 1.00 0.00 C ATOM 256 CD ARG A 20 3.289 3.973 -0.578 1.00 0.00 C ATOM 257 NE ARG A 20 4.700 3.609 -0.487 1.00 0.00 N ATOM 258 CZ ARG A 20 5.462 3.351 -1.545 1.00 0.00 C ATOM 259 NH1 ARG A 20 4.951 3.418 -2.766 1.00 0.00 N ATOM 260 NH2 ARG A 20 6.738 3.027 -1.381 1.00 0.00 N ATOM 0 H ARG A 20 0.228 4.650 2.249 1.00 0.00 H new ATOM 0 HA ARG A 20 0.841 2.330 0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.535 3.621 2.705 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.061 2.483 1.481 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.860 5.084 0.577 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.483 5.103 1.238 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.712 3.109 -0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.163 4.749 -1.333 1.00 0.00 H new ATOM 0 HE ARG A 20 5.124 3.549 0.439 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.971 3.668 -2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.538 3.220 -3.576 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.135 2.976 -0.443 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.322 2.829 -2.193 1.00 0.00 H new ATOM 274 N GLY A 21 0.457 0.554 2.212 1.00 0.00 N ATOM 275 CA GLY A 21 0.136 -0.486 3.173 1.00 0.00 C ATOM 276 C GLY A 21 1.204 -1.559 3.244 1.00 0.00 C ATOM 277 O GLY A 21 1.495 -2.220 2.248 1.00 0.00 O ATOM 0 H GLY A 21 0.553 0.233 1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.009 -0.039 4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.817 -0.943 2.905 1.00 0.00 H new ATOM 281 N ARG A 22 1.790 -1.731 4.424 1.00 0.00 N ATOM 282 CA ARG A 22 2.834 -2.730 4.620 1.00 0.00 C ATOM 283 C ARG A 22 2.280 -4.140 4.434 1.00 0.00 C ATOM 284 O ARG A 22 1.387 -4.568 5.166 1.00 0.00 O ATOM 285 CB ARG A 22 3.446 -2.591 6.015 1.00 0.00 C ATOM 286 CG ARG A 22 4.624 -3.521 6.258 1.00 0.00 C ATOM 287 CD ARG A 22 5.602 -2.930 7.263 1.00 0.00 C ATOM 288 NE ARG A 22 6.367 -3.964 7.954 1.00 0.00 N ATOM 289 CZ ARG A 22 5.839 -4.803 8.837 1.00 0.00 C ATOM 290 NH1 ARG A 22 4.549 -4.731 9.136 1.00 0.00 N ATOM 291 NH2 ARG A 22 6.601 -5.717 9.424 1.00 0.00 N ATOM 0 H ARG A 22 1.560 -1.192 5.259 1.00 0.00 H new ATOM 0 HA ARG A 22 3.609 -2.561 3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.771 -1.561 6.159 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.677 -2.790 6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.261 -4.482 6.623 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.139 -3.712 5.316 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.286 -2.255 6.749 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.055 -2.334 7.994 1.00 0.00 H new ATOM 0 HE ARG A 22 7.362 -4.046 7.747 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.960 -4.030 8.687 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.146 -5.377 9.815 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.594 -5.776 9.197 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.194 -6.361 10.102 1.00 0.00 H new ATOM 305 N TRP A 23 2.814 -4.854 3.451 1.00 0.00 N ATOM 306 CA TRP A 23 2.372 -6.215 3.168 1.00 0.00 C ATOM 307 C TRP A 23 2.350 -7.056 4.440 1.00 0.00 C ATOM 308 O TRP A 23 3.243 -6.971 5.284 1.00 0.00 O ATOM 309 CB TRP A 23 3.287 -6.865 2.129 1.00 0.00 C ATOM 310 CG TRP A 23 2.664 -8.043 1.443 1.00 0.00 C ATOM 311 CD1 TRP A 23 2.964 -9.361 1.644 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.638 -8.010 0.445 1.00 0.00 C ATOM 313 NE1 TRP A 23 2.185 -10.149 0.831 1.00 0.00 N ATOM 314 CE2 TRP A 23 1.363 -9.345 0.086 1.00 0.00 C ATOM 315 CE3 TRP A 23 0.924 -6.984 -0.178 1.00 0.00 C ATOM 316 CZ2 TRP A 23 0.406 -9.676 -0.868 1.00 0.00 C ATOM 317 CZ3 TRP A 23 -0.026 -7.315 -1.126 1.00 0.00 C ATOM 318 CH2 TRP A 23 -0.279 -8.651 -1.463 1.00 0.00 C ATOM 0 H TRP A 23 3.553 -4.514 2.836 1.00 0.00 H new ATOM 0 HA TRP A 23 1.359 -6.165 2.769 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.561 -6.121 1.381 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.209 -7.183 2.616 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.704 -9.729 2.339 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.214 -11.168 0.789 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.111 -5.951 0.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 0.210 -10.705 -1.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.583 -6.530 -1.615 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.029 -8.877 -2.207 1.00 0.00 H new ATOM 329 N PRO A 24 1.307 -7.887 4.584 1.00 0.00 N ATOM 330 CA PRO A 24 1.145 -8.759 5.751 1.00 0.00 C ATOM 331 C PRO A 24 2.172 -9.886 5.780 1.00 0.00 C ATOM 332 O PRO A 24 2.162 -10.725 6.679 1.00 0.00 O ATOM 333 CB PRO A 24 -0.266 -9.326 5.577 1.00 0.00 C ATOM 334 CG PRO A 24 -0.523 -9.258 4.111 1.00 0.00 C ATOM 335 CD PRO A 24 0.206 -8.039 3.619 1.00 0.00 C ATOM 0 HA PRO A 24 1.290 -8.219 6.686 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.329 -10.351 5.943 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.999 -8.743 6.135 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.163 -10.157 3.610 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.591 -9.184 3.905 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.578 -8.176 2.604 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.441 -7.162 3.606 1.00 0.00 H new ATOM 343 N GLY A 25 3.059 -9.898 4.789 1.00 0.00 N ATOM 344 CA GLY A 25 4.080 -10.926 4.720 1.00 0.00 C ATOM 345 C GLY A 25 5.418 -10.385 4.256 1.00 0.00 C ATOM 346 O GLY A 25 6.200 -11.098 3.628 1.00 0.00 O ATOM 0 H GLY A 25 3.088 -9.214 4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.198 -11.383 5.702 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.754 -11.712 4.039 1.00 0.00 H new ATOM 350 N SER A 26 5.681 -9.118 4.563 1.00 0.00 N ATOM 351 CA SER A 26 6.931 -8.480 4.169 1.00 0.00 C ATOM 352 C SER A 26 7.164 -7.202 4.969 1.00 0.00 C ATOM 353 O SER A 26 6.290 -6.751 5.709 1.00 0.00 O ATOM 354 CB SER A 26 6.915 -8.162 2.672 1.00 0.00 C ATOM 355 OG SER A 26 8.228 -8.161 2.138 1.00 0.00 O ATOM 0 H SER A 26 5.045 -8.514 5.083 1.00 0.00 H new ATOM 0 HA SER A 26 7.746 -9.173 4.378 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.306 -8.898 2.147 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.451 -7.189 2.508 1.00 0.00 H new ATOM 0 HG SER A 26 8.191 -7.957 1.180 1.00 0.00 H new ATOM 361 N SER A 27 8.351 -6.623 4.815 1.00 0.00 N ATOM 362 CA SER A 27 8.702 -5.400 5.526 1.00 0.00 C ATOM 363 C SER A 27 8.794 -4.219 4.563 1.00 0.00 C ATOM 364 O SER A 27 9.563 -3.283 4.781 1.00 0.00 O ATOM 365 CB SER A 27 10.032 -5.576 6.261 1.00 0.00 C ATOM 366 OG SER A 27 9.850 -6.265 7.486 1.00 0.00 O ATOM 0 H SER A 27 9.085 -6.982 4.204 1.00 0.00 H new ATOM 0 HA SER A 27 7.917 -5.194 6.253 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.730 -6.127 5.630 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.478 -4.600 6.452 1.00 0.00 H new ATOM 0 HG SER A 27 10.715 -6.366 7.936 1.00 0.00 H new ATOM 372 N LEU A 28 8.002 -4.271 3.497 1.00 0.00 N ATOM 373 CA LEU A 28 7.992 -3.207 2.500 1.00 0.00 C ATOM 374 C LEU A 28 6.571 -2.719 2.239 1.00 0.00 C ATOM 375 O LEU A 28 5.619 -3.500 2.274 1.00 0.00 O ATOM 376 CB LEU A 28 8.623 -3.698 1.195 1.00 0.00 C ATOM 377 CG LEU A 28 9.983 -4.384 1.324 1.00 0.00 C ATOM 378 CD1 LEU A 28 10.337 -5.114 0.038 1.00 0.00 C ATOM 379 CD2 LEU A 28 11.061 -3.369 1.677 1.00 0.00 C ATOM 0 H LEU A 28 7.359 -5.038 3.302 1.00 0.00 H new ATOM 0 HA LEU A 28 8.577 -2.373 2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.931 -4.393 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.730 -2.846 0.524 1.00 0.00 H new ATOM 0 HG LEU A 28 9.924 -5.117 2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.308 -5.596 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.579 -5.869 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.378 -4.401 -0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.022 -3.875 1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.119 -2.613 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.814 -2.891 2.625 1.00 0.00 H new ATOM 391 N TYR A 29 6.435 -1.424 1.975 1.00 0.00 N ATOM 392 CA TYR A 29 5.130 -0.832 1.708 1.00 0.00 C ATOM 393 C TYR A 29 4.895 -0.684 0.208 1.00 0.00 C ATOM 394 O TYR A 29 5.823 -0.411 -0.554 1.00 0.00 O ATOM 395 CB TYR A 29 5.017 0.533 2.390 1.00 0.00 C ATOM 396 CG TYR A 29 5.288 0.492 3.877 1.00 0.00 C ATOM 397 CD1 TYR A 29 6.564 0.239 4.363 1.00 0.00 C ATOM 398 CD2 TYR A 29 4.267 0.706 4.795 1.00 0.00 C ATOM 399 CE1 TYR A 29 6.816 0.199 5.721 1.00 0.00 C ATOM 400 CE2 TYR A 29 4.510 0.670 6.154 1.00 0.00 C ATOM 401 CZ TYR A 29 5.786 0.416 6.612 1.00 0.00 C ATOM 402 OH TYR A 29 6.033 0.378 7.966 1.00 0.00 O ATOM 0 H TYR A 29 7.212 -0.765 1.940 1.00 0.00 H new ATOM 0 HA TYR A 29 4.368 -1.498 2.113 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.718 1.223 1.921 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.016 0.932 2.223 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.373 0.071 3.668 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.266 0.904 4.440 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.814 -0.001 6.083 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.705 0.840 6.854 1.00 0.00 H new ATOM 0 HH TYR A 29 5.202 0.552 8.455 1.00 0.00 H new ATOM 412 N TYR A 30 3.647 -0.866 -0.210 1.00 0.00 N ATOM 413 CA TYR A 30 3.289 -0.756 -1.619 1.00 0.00 C ATOM 414 C TYR A 30 2.061 0.131 -1.801 1.00 0.00 C ATOM 415 O TYR A 30 1.249 0.280 -0.888 1.00 0.00 O ATOM 416 CB TYR A 30 3.022 -2.142 -2.209 1.00 0.00 C ATOM 417 CG TYR A 30 4.226 -3.056 -2.174 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.252 -2.922 -3.102 1.00 0.00 C ATOM 419 CD2 TYR A 30 4.337 -4.055 -1.215 1.00 0.00 C ATOM 420 CE1 TYR A 30 6.353 -3.755 -3.074 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.435 -4.892 -1.179 1.00 0.00 C ATOM 422 CZ TYR A 30 6.440 -4.739 -2.111 1.00 0.00 C ATOM 423 OH TYR A 30 7.535 -5.572 -2.079 1.00 0.00 O ATOM 0 H TYR A 30 2.866 -1.090 0.407 1.00 0.00 H new ATOM 0 HA TYR A 30 4.127 -0.299 -2.146 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.205 -2.610 -1.660 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.690 -2.031 -3.241 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.187 -2.153 -3.858 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.551 -4.179 -0.485 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.142 -3.637 -3.802 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.506 -5.662 -0.425 1.00 0.00 H new ATOM 0 HH TYR A 30 7.441 -6.208 -1.339 1.00 0.00 H new ATOM 433 N GLU A 31 1.933 0.718 -2.987 1.00 0.00 N ATOM 434 CA GLU A 31 0.805 1.591 -3.289 1.00 0.00 C ATOM 435 C GLU A 31 -0.514 0.829 -3.191 1.00 0.00 C ATOM 436 O GLU A 31 -0.762 -0.105 -3.953 1.00 0.00 O ATOM 437 CB GLU A 31 0.957 2.191 -4.688 1.00 0.00 C ATOM 438 CG GLU A 31 0.015 3.353 -4.957 1.00 0.00 C ATOM 439 CD GLU A 31 0.472 4.218 -6.116 1.00 0.00 C ATOM 440 OE1 GLU A 31 1.185 3.697 -6.999 1.00 0.00 O ATOM 441 OE2 GLU A 31 0.117 5.415 -6.139 1.00 0.00 O ATOM 0 H GLU A 31 2.596 0.605 -3.754 1.00 0.00 H new ATOM 0 HA GLU A 31 0.795 2.397 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.985 2.529 -4.819 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.781 1.412 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.982 2.966 -5.168 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.065 3.967 -4.060 1.00 0.00 H new ATOM 448 N VAL A 32 -1.356 1.235 -2.246 1.00 0.00 N ATOM 449 CA VAL A 32 -2.650 0.592 -2.047 1.00 0.00 C ATOM 450 C VAL A 32 -3.742 1.623 -1.787 1.00 0.00 C ATOM 451 O VAL A 32 -3.457 2.766 -1.430 1.00 0.00 O ATOM 452 CB VAL A 32 -2.607 -0.403 -0.872 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.600 -1.509 -1.145 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.279 0.320 0.426 1.00 0.00 C ATOM 0 H VAL A 32 -1.165 2.006 -1.606 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.879 0.050 -2.964 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.592 -0.859 -0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.584 -2.202 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.884 -2.044 -2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.609 -1.075 -1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.253 -0.398 1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.307 0.805 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.042 1.072 0.627 1.00 0.00 H new ATOM 464 N GLU A 33 -4.993 1.211 -1.967 1.00 0.00 N ATOM 465 CA GLU A 33 -6.128 2.101 -1.751 1.00 0.00 C ATOM 466 C GLU A 33 -6.946 1.656 -0.542 1.00 0.00 C ATOM 467 O GLU A 33 -6.966 0.475 -0.194 1.00 0.00 O ATOM 468 CB GLU A 33 -7.017 2.140 -2.995 1.00 0.00 C ATOM 469 CG GLU A 33 -8.465 2.493 -2.698 1.00 0.00 C ATOM 470 CD GLU A 33 -9.282 2.711 -3.956 1.00 0.00 C ATOM 471 OE1 GLU A 33 -8.891 3.569 -4.776 1.00 0.00 O ATOM 472 OE2 GLU A 33 -10.313 2.026 -4.122 1.00 0.00 O ATOM 0 H GLU A 33 -5.246 0.268 -2.261 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.741 3.101 -1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.611 2.867 -3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.982 1.168 -3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.917 1.694 -2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.497 3.395 -2.087 1.00 0.00 H new ATOM 479 N ILE A 34 -7.618 2.609 0.094 1.00 0.00 N ATOM 480 CA ILE A 34 -8.437 2.316 1.263 1.00 0.00 C ATOM 481 C ILE A 34 -9.858 1.940 0.858 1.00 0.00 C ATOM 482 O ILE A 34 -10.560 2.721 0.215 1.00 0.00 O ATOM 483 CB ILE A 34 -8.491 3.515 2.228 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.082 3.884 2.697 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.385 3.198 3.418 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.462 2.856 3.616 1.00 0.00 C ATOM 0 H ILE A 34 -7.611 3.591 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.971 1.472 1.771 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.913 4.369 1.699 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.440 4.014 1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.119 4.844 3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.413 4.055 4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.394 2.979 3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.990 2.332 3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.464 3.184 3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.082 2.742 4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.392 1.900 3.098 1.00 0.00 H new ATOM 498 N LEU A 35 -10.277 0.738 1.240 1.00 0.00 N ATOM 499 CA LEU A 35 -11.617 0.258 0.919 1.00 0.00 C ATOM 500 C LEU A 35 -12.571 0.482 2.087 1.00 0.00 C ATOM 501 O LEU A 35 -13.611 1.123 1.937 1.00 0.00 O ATOM 502 CB LEU A 35 -11.574 -1.228 0.559 1.00 0.00 C ATOM 503 CG LEU A 35 -10.450 -1.659 -0.385 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.495 -3.161 -0.619 1.00 0.00 C ATOM 505 CD2 LEU A 35 -10.546 -0.908 -1.705 1.00 0.00 C ATOM 0 H LEU A 35 -9.709 0.079 1.772 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.983 0.824 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.487 -1.802 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.527 -1.499 0.104 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.496 -1.414 0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.688 -3.449 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.377 -3.681 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.453 -3.431 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.739 -1.227 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.505 -1.122 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.463 0.163 -1.521 1.00 0.00 H new ATOM 517 N SER A 36 -12.208 -0.047 3.251 1.00 0.00 N ATOM 518 CA SER A 36 -13.033 0.094 4.445 1.00 0.00 C ATOM 519 C SER A 36 -12.196 -0.085 5.708 1.00 0.00 C ATOM 520 O SER A 36 -10.981 -0.273 5.640 1.00 0.00 O ATOM 521 CB SER A 36 -14.173 -0.926 4.427 1.00 0.00 C ATOM 522 OG SER A 36 -15.154 -0.578 3.465 1.00 0.00 O ATOM 0 H SER A 36 -11.348 -0.577 3.393 1.00 0.00 H new ATOM 0 HA SER A 36 -13.454 1.099 4.448 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.776 -1.916 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.631 -0.981 5.414 1.00 0.00 H new ATOM 0 HG SER A 36 -14.811 0.140 2.893 1.00 0.00 H new ATOM 528 N HIS A 37 -12.854 -0.025 6.861 1.00 0.00 N ATOM 529 CA HIS A 37 -12.172 -0.180 8.141 1.00 0.00 C ATOM 530 C HIS A 37 -12.928 -1.149 9.045 1.00 0.00 C ATOM 531 O HIS A 37 -14.148 -1.058 9.186 1.00 0.00 O ATOM 532 CB HIS A 37 -12.027 1.175 8.833 1.00 0.00 C ATOM 533 CG HIS A 37 -11.929 1.078 10.325 1.00 0.00 C ATOM 534 ND1 HIS A 37 -10.958 0.341 10.969 1.00 0.00 N ATOM 535 CD2 HIS A 37 -12.689 1.631 11.299 1.00 0.00 C ATOM 536 CE1 HIS A 37 -11.125 0.445 12.276 1.00 0.00 C ATOM 537 NE2 HIS A 37 -12.168 1.222 12.502 1.00 0.00 N ATOM 0 H HIS A 37 -13.859 0.130 6.935 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.180 -0.589 7.949 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.138 1.676 8.450 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.881 1.800 8.573 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -10.226 -0.200 10.509 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.545 2.274 11.157 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.512 -0.026 13.031 1.00 0.00 H new ATOM 546 N ASP A 38 -12.196 -2.075 9.655 1.00 0.00 N ATOM 547 CA ASP A 38 -12.797 -3.060 10.546 1.00 0.00 C ATOM 548 C ASP A 38 -12.485 -2.737 12.003 1.00 0.00 C ATOM 549 O ASP A 38 -11.559 -3.298 12.589 1.00 0.00 O ATOM 550 CB ASP A 38 -12.295 -4.464 10.203 1.00 0.00 C ATOM 551 CG ASP A 38 -13.311 -5.539 10.532 1.00 0.00 C ATOM 552 OD1 ASP A 38 -13.826 -5.541 11.670 1.00 0.00 O ATOM 553 OD2 ASP A 38 -13.593 -6.378 9.651 1.00 0.00 O ATOM 0 H ASP A 38 -11.185 -2.164 9.548 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.878 -3.026 10.408 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -12.052 -4.510 9.141 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.373 -4.660 10.750 1.00 0.00 H new ATOM 558 N SER A 39 -13.263 -1.828 12.583 1.00 0.00 N ATOM 559 CA SER A 39 -13.066 -1.426 13.971 1.00 0.00 C ATOM 560 C SER A 39 -12.958 -2.647 14.880 1.00 0.00 C ATOM 561 O SER A 39 -12.261 -2.621 15.894 1.00 0.00 O ATOM 562 CB SER A 39 -14.218 -0.532 14.433 1.00 0.00 C ATOM 563 OG SER A 39 -14.241 -0.419 15.845 1.00 0.00 O ATOM 0 H SER A 39 -14.036 -1.356 12.113 1.00 0.00 H new ATOM 0 HA SER A 39 -12.133 -0.865 14.033 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.116 0.458 13.987 1.00 0.00 H new ATOM 0 HB3 SER A 39 -15.165 -0.943 14.082 1.00 0.00 H new ATOM 0 HG SER A 39 -14.985 0.159 16.115 1.00 0.00 H new ATOM 569 N THR A 40 -13.654 -3.717 14.508 1.00 0.00 N ATOM 570 CA THR A 40 -13.639 -4.948 15.289 1.00 0.00 C ATOM 571 C THR A 40 -12.213 -5.358 15.641 1.00 0.00 C ATOM 572 O THR A 40 -11.891 -5.576 16.809 1.00 0.00 O ATOM 573 CB THR A 40 -14.320 -6.102 14.531 1.00 0.00 C ATOM 574 OG1 THR A 40 -15.590 -5.675 14.025 1.00 0.00 O ATOM 575 CG2 THR A 40 -14.511 -7.308 15.439 1.00 0.00 C ATOM 0 H THR A 40 -14.235 -3.756 13.671 1.00 0.00 H new ATOM 0 HA THR A 40 -14.194 -4.748 16.206 1.00 0.00 H new ATOM 0 HB THR A 40 -13.676 -6.390 13.700 1.00 0.00 H new ATOM 0 HG1 THR A 40 -15.505 -5.451 13.075 1.00 0.00 H new ATOM 0 HG21 THR A 40 -14.994 -8.110 14.881 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.541 -7.649 15.799 1.00 0.00 H new ATOM 0 HG23 THR A 40 -15.136 -7.029 16.288 1.00 0.00 H new ATOM 583 N SER A 41 -11.363 -5.459 14.624 1.00 0.00 N ATOM 584 CA SER A 41 -9.972 -5.846 14.827 1.00 0.00 C ATOM 585 C SER A 41 -9.027 -4.772 14.296 1.00 0.00 C ATOM 586 O SER A 41 -7.879 -5.055 13.954 1.00 0.00 O ATOM 587 CB SER A 41 -9.686 -7.180 14.136 1.00 0.00 C ATOM 588 OG SER A 41 -10.589 -8.182 14.568 1.00 0.00 O ATOM 0 H SER A 41 -11.613 -5.278 13.652 1.00 0.00 H new ATOM 0 HA SER A 41 -9.803 -5.957 15.898 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.764 -7.057 13.056 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.663 -7.491 14.349 1.00 0.00 H new ATOM 0 HG SER A 41 -10.386 -9.024 14.110 1.00 0.00 H new ATOM 594 N GLN A 42 -9.519 -3.539 14.232 1.00 0.00 N ATOM 595 CA GLN A 42 -8.718 -2.422 13.743 1.00 0.00 C ATOM 596 C GLN A 42 -7.978 -2.802 12.465 1.00 0.00 C ATOM 597 O GLN A 42 -6.886 -2.300 12.195 1.00 0.00 O ATOM 598 CB GLN A 42 -7.719 -1.976 14.812 1.00 0.00 C ATOM 599 CG GLN A 42 -8.373 -1.342 16.029 1.00 0.00 C ATOM 600 CD GLN A 42 -9.471 -0.364 15.659 1.00 0.00 C ATOM 601 OE1 GLN A 42 -10.623 -0.524 16.063 1.00 0.00 O ATOM 602 NE2 GLN A 42 -9.118 0.657 14.886 1.00 0.00 N ATOM 0 H GLN A 42 -10.467 -3.288 14.512 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.392 -1.595 13.519 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.133 -2.838 15.132 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.022 -1.263 14.371 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.788 -2.125 16.663 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.614 -0.825 16.617 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.151 0.750 14.574 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.814 1.348 14.604 1.00 0.00 H new ATOM 611 N LEU A 43 -8.578 -3.692 11.682 1.00 0.00 N ATOM 612 CA LEU A 43 -7.975 -4.140 10.431 1.00 0.00 C ATOM 613 C LEU A 43 -8.575 -3.397 9.241 1.00 0.00 C ATOM 614 O LEU A 43 -9.780 -3.463 8.998 1.00 0.00 O ATOM 615 CB LEU A 43 -8.173 -5.647 10.258 1.00 0.00 C ATOM 616 CG LEU A 43 -7.282 -6.543 11.118 1.00 0.00 C ATOM 617 CD1 LEU A 43 -7.810 -7.970 11.128 1.00 0.00 C ATOM 618 CD2 LEU A 43 -5.846 -6.508 10.616 1.00 0.00 C ATOM 0 H LEU A 43 -9.481 -4.118 11.891 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.908 -3.922 10.472 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.214 -5.884 10.478 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.004 -5.898 9.211 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.298 -6.164 12.140 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.163 -8.593 11.745 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.821 -7.981 11.536 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.825 -8.359 10.110 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.226 -7.152 11.240 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.812 -6.861 9.585 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.469 -5.486 10.662 1.00 0.00 H new ATOM 630 N TYR A 44 -7.725 -2.693 8.502 1.00 0.00 N ATOM 631 CA TYR A 44 -8.171 -1.937 7.337 1.00 0.00 C ATOM 632 C TYR A 44 -8.052 -2.774 6.067 1.00 0.00 C ATOM 633 O TYR A 44 -7.048 -3.454 5.848 1.00 0.00 O ATOM 634 CB TYR A 44 -7.354 -0.653 7.193 1.00 0.00 C ATOM 635 CG TYR A 44 -7.727 0.418 8.194 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.614 0.188 9.560 1.00 0.00 C ATOM 637 CD2 TYR A 44 -8.193 1.657 7.774 1.00 0.00 C ATOM 638 CE1 TYR A 44 -7.954 1.163 10.478 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.534 2.638 8.685 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.413 2.386 10.036 1.00 0.00 C ATOM 641 OH TYR A 44 -8.753 3.360 10.947 1.00 0.00 O ATOM 0 H TYR A 44 -6.724 -2.630 8.688 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.220 -1.678 7.483 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.296 -0.891 7.305 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.487 -0.259 6.185 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.255 -0.769 9.910 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.290 1.857 6.717 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.861 0.968 11.536 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.893 3.597 8.342 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.056 4.161 10.471 1.00 0.00 H new ATOM 651 N THR A 45 -9.084 -2.719 5.230 1.00 0.00 N ATOM 652 CA THR A 45 -9.097 -3.471 3.982 1.00 0.00 C ATOM 653 C THR A 45 -8.638 -2.605 2.814 1.00 0.00 C ATOM 654 O THR A 45 -9.362 -1.717 2.365 1.00 0.00 O ATOM 655 CB THR A 45 -10.501 -4.025 3.675 1.00 0.00 C ATOM 656 OG1 THR A 45 -11.011 -4.725 4.815 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.463 -4.959 2.475 1.00 0.00 C ATOM 0 H THR A 45 -9.922 -2.161 5.395 1.00 0.00 H new ATOM 0 HA THR A 45 -8.405 -4.304 4.107 1.00 0.00 H new ATOM 0 HB THR A 45 -11.156 -3.186 3.442 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.905 -5.073 4.613 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.466 -5.338 2.277 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.102 -4.415 1.602 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.794 -5.794 2.685 1.00 0.00 H new ATOM 665 N VAL A 46 -7.431 -2.871 2.325 1.00 0.00 N ATOM 666 CA VAL A 46 -6.876 -2.117 1.207 1.00 0.00 C ATOM 667 C VAL A 46 -6.776 -2.983 -0.044 1.00 0.00 C ATOM 668 O VAL A 46 -6.707 -4.209 0.040 1.00 0.00 O ATOM 669 CB VAL A 46 -5.480 -1.559 1.544 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.560 -0.598 2.721 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.509 -2.693 1.836 1.00 0.00 C ATOM 0 H VAL A 46 -6.819 -3.603 2.685 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.555 -1.286 1.017 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.109 -1.008 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.565 -0.214 2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.221 0.231 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.951 -1.122 3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.528 -2.280 2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.872 -3.274 2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.430 -3.339 0.961 1.00 0.00 H new ATOM 681 N LYS A 47 -6.767 -2.337 -1.205 1.00 0.00 N ATOM 682 CA LYS A 47 -6.674 -3.046 -2.475 1.00 0.00 C ATOM 683 C LYS A 47 -5.402 -2.658 -3.222 1.00 0.00 C ATOM 684 O LYS A 47 -5.078 -1.477 -3.345 1.00 0.00 O ATOM 685 CB LYS A 47 -7.899 -2.745 -3.342 1.00 0.00 C ATOM 686 CG LYS A 47 -7.960 -3.571 -4.616 1.00 0.00 C ATOM 687 CD LYS A 47 -9.017 -3.043 -5.572 1.00 0.00 C ATOM 688 CE LYS A 47 -9.527 -4.137 -6.497 1.00 0.00 C ATOM 689 NZ LYS A 47 -10.277 -3.578 -7.656 1.00 0.00 N ATOM 0 H LYS A 47 -6.823 -1.322 -1.292 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.640 -4.115 -2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.801 -2.927 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.897 -1.687 -3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.986 -3.559 -5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.179 -4.609 -4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.849 -2.629 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.599 -2.229 -6.165 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.686 -4.728 -6.860 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.174 -4.813 -5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.608 -4.355 -8.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.095 -3.035 -7.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.653 -2.953 -8.204 1.00 0.00 H new ATOM 703 N TYR A 48 -4.686 -3.660 -3.721 1.00 0.00 N ATOM 704 CA TYR A 48 -3.449 -3.423 -4.455 1.00 0.00 C ATOM 705 C TYR A 48 -3.716 -3.321 -5.954 1.00 0.00 C ATOM 706 O TYR A 48 -4.680 -3.891 -6.466 1.00 0.00 O ATOM 707 CB TYR A 48 -2.446 -4.545 -4.181 1.00 0.00 C ATOM 708 CG TYR A 48 -1.949 -4.577 -2.753 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.742 -5.089 -1.733 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.689 -4.095 -2.423 1.00 0.00 C ATOM 711 CE1 TYR A 48 -2.294 -5.120 -0.427 1.00 0.00 C ATOM 712 CE2 TYR A 48 -0.232 -4.124 -1.120 1.00 0.00 C ATOM 713 CZ TYR A 48 -1.038 -4.637 -0.125 1.00 0.00 C ATOM 714 OH TYR A 48 -0.586 -4.666 1.174 1.00 0.00 O ATOM 0 H TYR A 48 -4.941 -4.643 -3.630 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.029 -2.477 -4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.911 -5.502 -4.417 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.594 -4.431 -4.851 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.726 -5.469 -1.966 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.056 -3.691 -3.199 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.924 -5.520 0.354 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.751 -3.747 -0.881 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.123 -5.514 1.340 1.00 0.00 H new ATOM 724 N LYS A 49 -2.855 -2.589 -6.653 1.00 0.00 N ATOM 725 CA LYS A 49 -2.994 -2.411 -8.093 1.00 0.00 C ATOM 726 C LYS A 49 -3.358 -3.728 -8.772 1.00 0.00 C ATOM 727 O LYS A 49 -4.416 -3.847 -9.389 1.00 0.00 O ATOM 728 CB LYS A 49 -1.696 -1.861 -8.688 1.00 0.00 C ATOM 729 CG LYS A 49 -1.864 -1.276 -10.080 1.00 0.00 C ATOM 730 CD LYS A 49 -0.742 -0.308 -10.417 1.00 0.00 C ATOM 731 CE LYS A 49 -0.661 -0.048 -11.913 1.00 0.00 C ATOM 732 NZ LYS A 49 0.233 -1.022 -12.598 1.00 0.00 N ATOM 0 H LYS A 49 -2.053 -2.109 -6.245 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.799 -1.697 -8.269 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.300 -1.092 -8.025 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.956 -2.661 -8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.884 -2.081 -10.814 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.822 -0.761 -10.146 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.902 0.633 -9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.207 -0.713 -10.065 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.660 -0.105 -12.346 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.296 0.964 -12.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.261 -0.811 -13.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.192 -0.950 -12.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.129 -1.986 -12.454 1.00 0.00 H new ATOM 746 N ASP A 50 -2.475 -4.714 -8.651 1.00 0.00 N ATOM 747 CA ASP A 50 -2.705 -6.023 -9.251 1.00 0.00 C ATOM 748 C ASP A 50 -4.149 -6.470 -9.043 1.00 0.00 C ATOM 749 O ASP A 50 -4.730 -7.143 -9.893 1.00 0.00 O ATOM 750 CB ASP A 50 -1.747 -7.056 -8.655 1.00 0.00 C ATOM 751 CG ASP A 50 -1.702 -6.997 -7.140 1.00 0.00 C ATOM 752 OD1 ASP A 50 -1.356 -5.927 -6.599 1.00 0.00 O ATOM 753 OD2 ASP A 50 -2.012 -8.022 -6.497 1.00 0.00 O ATOM 0 H ASP A 50 -1.594 -4.631 -8.143 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.519 -5.942 -10.322 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.053 -8.054 -8.968 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.746 -6.890 -9.052 1.00 0.00 H new ATOM 758 N GLY A 51 -4.722 -6.093 -7.904 1.00 0.00 N ATOM 759 CA GLY A 51 -6.092 -6.465 -7.604 1.00 0.00 C ATOM 760 C GLY A 51 -6.187 -7.449 -6.455 1.00 0.00 C ATOM 761 O GLY A 51 -6.833 -8.491 -6.571 1.00 0.00 O ATOM 0 H GLY A 51 -4.262 -5.537 -7.184 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.663 -5.569 -7.360 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.549 -6.902 -8.492 1.00 0.00 H new ATOM 765 N THR A 52 -5.541 -7.120 -5.340 1.00 0.00 N ATOM 766 CA THR A 52 -5.553 -7.983 -4.167 1.00 0.00 C ATOM 767 C THR A 52 -6.061 -7.235 -2.939 1.00 0.00 C ATOM 768 O THR A 52 -5.750 -6.061 -2.744 1.00 0.00 O ATOM 769 CB THR A 52 -4.150 -8.544 -3.867 1.00 0.00 C ATOM 770 OG1 THR A 52 -3.714 -9.375 -4.949 1.00 0.00 O ATOM 771 CG2 THR A 52 -4.152 -9.345 -2.574 1.00 0.00 C ATOM 0 H THR A 52 -5.003 -6.261 -5.226 1.00 0.00 H new ATOM 0 HA THR A 52 -6.227 -8.810 -4.391 1.00 0.00 H new ATOM 0 HB THR A 52 -3.463 -7.705 -3.754 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.916 -8.983 -5.362 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.151 -9.731 -2.383 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.456 -8.702 -1.748 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.851 -10.177 -2.663 1.00 0.00 H new ATOM 779 N GLU A 53 -6.844 -7.924 -2.114 1.00 0.00 N ATOM 780 CA GLU A 53 -7.395 -7.323 -0.905 1.00 0.00 C ATOM 781 C GLU A 53 -6.813 -7.981 0.343 1.00 0.00 C ATOM 782 O GLU A 53 -6.773 -9.207 0.452 1.00 0.00 O ATOM 783 CB GLU A 53 -8.920 -7.448 -0.897 1.00 0.00 C ATOM 784 CG GLU A 53 -9.609 -6.564 -1.923 1.00 0.00 C ATOM 785 CD GLU A 53 -11.064 -6.936 -2.131 1.00 0.00 C ATOM 786 OE1 GLU A 53 -11.779 -7.121 -1.124 1.00 0.00 O ATOM 787 OE2 GLU A 53 -11.487 -7.043 -3.301 1.00 0.00 O ATOM 0 H GLU A 53 -7.111 -8.898 -2.261 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.124 -6.267 -0.898 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.192 -8.487 -1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.292 -7.195 0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.546 -5.524 -1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.080 -6.637 -2.873 1.00 0.00 H new ATOM 794 N LEU A 54 -6.361 -7.157 1.282 1.00 0.00 N ATOM 795 CA LEU A 54 -5.780 -7.656 2.523 1.00 0.00 C ATOM 796 C LEU A 54 -6.221 -6.807 3.711 1.00 0.00 C ATOM 797 O LEU A 54 -6.863 -5.771 3.541 1.00 0.00 O ATOM 798 CB LEU A 54 -4.254 -7.666 2.427 1.00 0.00 C ATOM 799 CG LEU A 54 -3.661 -8.416 1.233 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.213 -8.008 1.013 1.00 0.00 C ATOM 801 CD2 LEU A 54 -3.768 -9.919 1.441 1.00 0.00 C ATOM 0 H LEU A 54 -6.386 -6.140 1.207 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.135 -8.675 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.905 -6.634 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.855 -8.106 3.341 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.231 -8.151 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.807 -8.552 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.162 -6.937 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.630 -8.243 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.341 -10.437 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.223 -10.201 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.816 -10.198 1.548 1.00 0.00 H new ATOM 813 N GLU A 55 -5.870 -7.253 4.913 1.00 0.00 N ATOM 814 CA GLU A 55 -6.228 -6.533 6.129 1.00 0.00 C ATOM 815 C GLU A 55 -4.981 -6.048 6.862 1.00 0.00 C ATOM 816 O GLU A 55 -4.222 -6.845 7.415 1.00 0.00 O ATOM 817 CB GLU A 55 -7.060 -7.426 7.052 1.00 0.00 C ATOM 818 CG GLU A 55 -8.556 -7.333 6.803 1.00 0.00 C ATOM 819 CD GLU A 55 -9.344 -8.362 7.590 1.00 0.00 C ATOM 820 OE1 GLU A 55 -9.383 -9.535 7.163 1.00 0.00 O ATOM 821 OE2 GLU A 55 -9.921 -7.994 8.635 1.00 0.00 O ATOM 0 H GLU A 55 -5.338 -8.109 5.071 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.822 -5.665 5.844 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.743 -8.461 6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.855 -7.155 8.088 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.903 -6.334 7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.752 -7.467 5.739 1.00 0.00 H new ATOM 828 N LEU A 56 -4.775 -4.735 6.862 1.00 0.00 N ATOM 829 CA LEU A 56 -3.619 -4.142 7.526 1.00 0.00 C ATOM 830 C LEU A 56 -4.053 -3.278 8.706 1.00 0.00 C ATOM 831 O LEU A 56 -4.924 -2.418 8.572 1.00 0.00 O ATOM 832 CB LEU A 56 -2.811 -3.303 6.535 1.00 0.00 C ATOM 833 CG LEU A 56 -2.564 -3.936 5.165 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.926 -2.930 4.220 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.690 -5.174 5.299 1.00 0.00 C ATOM 0 H LEU A 56 -5.393 -4.061 6.410 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.993 -4.951 7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.327 -2.355 6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.846 -3.073 6.986 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.524 -4.238 4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.758 -3.398 3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.589 -2.073 4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.974 -2.597 4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.525 -5.611 4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.732 -4.897 5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.186 -5.902 5.941 1.00 0.00 H new ATOM 847 N LYS A 57 -3.439 -3.511 9.861 1.00 0.00 N ATOM 848 CA LYS A 57 -3.758 -2.752 11.064 1.00 0.00 C ATOM 849 C LYS A 57 -3.570 -1.257 10.831 1.00 0.00 C ATOM 850 O LYS A 57 -2.863 -0.848 9.910 1.00 0.00 O ATOM 851 CB LYS A 57 -2.879 -3.211 12.230 1.00 0.00 C ATOM 852 CG LYS A 57 -3.156 -4.637 12.675 1.00 0.00 C ATOM 853 CD LYS A 57 -2.547 -4.924 14.037 1.00 0.00 C ATOM 854 CE LYS A 57 -3.390 -4.337 15.159 1.00 0.00 C ATOM 855 NZ LYS A 57 -3.153 -5.034 16.454 1.00 0.00 N ATOM 0 H LYS A 57 -2.717 -4.220 9.989 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.804 -2.935 11.311 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.832 -3.127 11.940 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.031 -2.539 13.075 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.232 -4.804 12.714 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.752 -5.333 11.940 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.454 -6.001 14.176 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.540 -4.509 14.081 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.160 -3.277 15.270 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.445 -4.409 14.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.746 -4.605 17.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.396 -6.040 16.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.151 -4.944 16.718 1.00 0.00 H new ATOM 869 N GLU A 58 -4.207 -0.446 11.671 1.00 0.00 N ATOM 870 CA GLU A 58 -4.108 1.004 11.554 1.00 0.00 C ATOM 871 C GLU A 58 -2.650 1.453 11.576 1.00 0.00 C ATOM 872 O GLU A 58 -2.313 2.529 11.083 1.00 0.00 O ATOM 873 CB GLU A 58 -4.879 1.683 12.688 1.00 0.00 C ATOM 874 CG GLU A 58 -5.294 3.110 12.373 1.00 0.00 C ATOM 875 CD GLU A 58 -5.784 3.859 13.597 1.00 0.00 C ATOM 876 OE1 GLU A 58 -6.999 3.801 13.880 1.00 0.00 O ATOM 877 OE2 GLU A 58 -4.953 4.502 14.272 1.00 0.00 O ATOM 0 H GLU A 58 -4.796 -0.768 12.439 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.546 1.297 10.600 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.769 1.096 12.913 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.262 1.683 13.586 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.448 3.643 11.940 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.082 3.097 11.620 1.00 0.00 H new ATOM 884 N ASN A 59 -1.789 0.621 12.153 1.00 0.00 N ATOM 885 CA ASN A 59 -0.367 0.933 12.242 1.00 0.00 C ATOM 886 C ASN A 59 0.368 0.484 10.982 1.00 0.00 C ATOM 887 O ASN A 59 1.228 1.197 10.465 1.00 0.00 O ATOM 888 CB ASN A 59 0.249 0.261 13.471 1.00 0.00 C ATOM 889 CG ASN A 59 -0.602 0.438 14.713 1.00 0.00 C ATOM 890 OD1 ASN A 59 -1.451 -0.398 15.023 1.00 0.00 O ATOM 891 ND2 ASN A 59 -0.378 1.532 15.433 1.00 0.00 N ATOM 0 H ASN A 59 -2.051 -0.274 12.566 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.263 2.014 12.337 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.381 -0.803 13.273 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.240 0.677 13.651 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.920 1.705 16.280 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.336 2.199 15.139 1.00 0.00 H new ATOM 898 N ASP A 60 0.021 -0.702 10.492 1.00 0.00 N ATOM 899 CA ASP A 60 0.645 -1.245 9.292 1.00 0.00 C ATOM 900 C ASP A 60 0.523 -0.269 8.126 1.00 0.00 C ATOM 901 O ASP A 60 1.348 -0.273 7.212 1.00 0.00 O ATOM 902 CB ASP A 60 0.006 -2.585 8.921 1.00 0.00 C ATOM 903 CG ASP A 60 0.278 -3.661 9.953 1.00 0.00 C ATOM 904 OD1 ASP A 60 1.419 -3.725 10.457 1.00 0.00 O ATOM 905 OD2 ASP A 60 -0.649 -4.441 10.256 1.00 0.00 O ATOM 0 H ASP A 60 -0.689 -1.305 10.908 1.00 0.00 H new ATOM 0 HA ASP A 60 1.703 -1.401 9.502 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.071 -2.453 8.813 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.386 -2.910 7.953 1.00 0.00 H new ATOM 910 N ILE A 61 -0.511 0.564 8.165 1.00 0.00 N ATOM 911 CA ILE A 61 -0.740 1.546 7.111 1.00 0.00 C ATOM 912 C ILE A 61 -0.128 2.894 7.474 1.00 0.00 C ATOM 913 O ILE A 61 -0.307 3.391 8.587 1.00 0.00 O ATOM 914 CB ILE A 61 -2.243 1.734 6.835 1.00 0.00 C ATOM 915 CG1 ILE A 61 -2.908 0.382 6.568 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.452 2.674 5.657 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.406 0.473 6.373 1.00 0.00 C ATOM 0 H ILE A 61 -1.203 0.579 8.914 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.259 1.162 6.211 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.706 2.178 7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.461 -0.065 5.680 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.698 -0.288 7.402 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.520 2.797 5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.009 3.644 5.882 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.978 2.256 4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.810 -0.522 6.188 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.865 0.890 7.269 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.624 1.117 5.521 1.00 0.00 H new ATOM 929 N LYS A 62 0.593 3.485 6.528 1.00 0.00 N ATOM 930 CA LYS A 62 1.230 4.778 6.744 1.00 0.00 C ATOM 931 C LYS A 62 1.308 5.571 5.444 1.00 0.00 C ATOM 932 O LYS A 62 1.184 5.010 4.355 1.00 0.00 O ATOM 933 CB LYS A 62 2.633 4.589 7.324 1.00 0.00 C ATOM 934 CG LYS A 62 3.562 3.797 6.421 1.00 0.00 C ATOM 935 CD LYS A 62 4.181 4.678 5.348 1.00 0.00 C ATOM 936 CE LYS A 62 5.478 4.084 4.819 1.00 0.00 C ATOM 937 NZ LYS A 62 6.324 5.110 4.149 1.00 0.00 N ATOM 0 H LYS A 62 0.751 3.088 5.602 1.00 0.00 H new ATOM 0 HA LYS A 62 0.623 5.339 7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.073 5.568 7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.554 4.081 8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.351 3.341 7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.009 2.984 5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.475 4.803 4.527 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.374 5.670 5.757 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.034 3.635 5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.251 3.284 4.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.198 4.666 3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.803 5.521 3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.562 5.861 4.828 1.00 0.00 H new ATOM 951 N SER A 63 1.516 6.878 5.564 1.00 0.00 N ATOM 952 CA SER A 63 1.610 7.748 4.397 1.00 0.00 C ATOM 953 C SER A 63 3.023 8.301 4.243 1.00 0.00 C ATOM 954 O SER A 63 3.812 8.291 5.187 1.00 0.00 O ATOM 955 CB SER A 63 0.609 8.900 4.513 1.00 0.00 C ATOM 956 OG SER A 63 1.015 9.832 5.500 1.00 0.00 O ATOM 0 H SER A 63 1.623 7.358 6.458 1.00 0.00 H new ATOM 0 HA SER A 63 1.373 7.156 3.513 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.516 9.403 3.550 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.376 8.506 4.764 1.00 0.00 H new ATOM 0 HG SER A 63 0.360 10.559 5.553 1.00 0.00 H new