USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 170:sc= -0.0241 USER MOD Single : A 15 SER OG : rot 160:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.155 X(o=-0.15,f=-0.2) USER MOD Single : A 20 THR OG1 : rot -95:sc= 1.18 USER MOD Single : A 30 SER OG : rot 86:sc= 1.27 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 27:sc= 0.0169 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -48:sc= 1.14 USER MOD Single : A 59 ASN : amide:sc= 1.65 K(o=1.7,f=-4.4!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 63 MET CE :methyl -153:sc=-0.000314 (180deg=-0.0535) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 70 MET CE :methyl 147:sc= -0.0245 (180deg=-0.81) USER MOD Single : A 71 ASN : amide:sc= -0.0815 K(o=-0.081,f=-4.2!) USER MOD Single : A 73 LYS NZ :NH3+ -110:sc= 0.832 (180deg=0.38) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc=-0.00156 X(o=-0.0016,f=-0.091) USER MOD ----------------------------------------------------------------- ATOM 100 N TYR A 9 7.667 0.202 -10.343 1.00 0.00 N ATOM 101 CA TYR A 9 7.712 -0.354 -8.985 1.00 0.00 C ATOM 102 C TYR A 9 6.453 0.041 -8.182 1.00 0.00 C ATOM 103 O TYR A 9 6.484 0.971 -7.376 1.00 0.00 O ATOM 104 CB TYR A 9 9.016 0.076 -8.283 1.00 0.00 C ATOM 105 CG TYR A 9 10.286 0.032 -9.116 1.00 0.00 C ATOM 106 CD1 TYR A 9 10.688 -1.147 -9.777 1.00 0.00 C ATOM 107 CD2 TYR A 9 11.064 1.199 -9.232 1.00 0.00 C ATOM 108 CE1 TYR A 9 11.856 -1.147 -10.569 1.00 0.00 C ATOM 109 CE2 TYR A 9 12.227 1.202 -10.017 1.00 0.00 C ATOM 110 CZ TYR A 9 12.624 0.031 -10.697 1.00 0.00 C ATOM 111 OH TYR A 9 13.739 0.052 -11.476 1.00 0.00 O ATOM 0 HA TYR A 9 7.712 -1.442 -9.045 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.885 1.094 -7.916 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.159 -0.562 -7.411 1.00 0.00 H new ATOM 0 HD1 TYR A 9 10.103 -2.049 -9.677 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.764 2.098 -8.714 1.00 0.00 H new ATOM 0 HE1 TYR A 9 12.163 -2.049 -11.078 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.819 2.101 -10.101 1.00 0.00 H new ATOM 0 HH TYR A 9 14.141 0.945 -11.448 1.00 0.00 H new ATOM 121 N ARG A 10 5.335 -0.665 -8.407 1.00 0.00 N ATOM 122 CA ARG A 10 3.997 -0.361 -7.858 1.00 0.00 C ATOM 123 C ARG A 10 3.266 -1.641 -7.437 1.00 0.00 C ATOM 124 O ARG A 10 3.283 -2.639 -8.163 1.00 0.00 O ATOM 125 CB ARG A 10 3.219 0.429 -8.929 1.00 0.00 C ATOM 126 CG ARG A 10 1.829 0.947 -8.518 1.00 0.00 C ATOM 127 CD ARG A 10 1.198 1.648 -9.730 1.00 0.00 C ATOM 128 NE ARG A 10 -0.198 2.066 -9.505 1.00 0.00 N ATOM 129 CZ ARG A 10 -0.675 3.297 -9.432 1.00 0.00 C ATOM 130 NH1 ARG A 10 0.060 4.368 -9.362 1.00 0.00 N ATOM 131 NH2 ARG A 10 -1.957 3.471 -9.438 1.00 0.00 N ATOM 0 H ARG A 10 5.334 -1.496 -8.998 1.00 0.00 H new ATOM 0 HA ARG A 10 4.084 0.242 -6.954 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.826 1.282 -9.233 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.101 -0.208 -9.806 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.199 0.122 -8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.914 1.640 -7.681 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.795 2.524 -9.985 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.234 0.977 -10.588 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.878 1.314 -9.392 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.077 4.289 -9.361 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.381 5.286 -9.308 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.581 2.666 -9.498 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.344 4.413 -9.382 1.00 0.00 H new ATOM 145 N CYS A 11 2.615 -1.622 -6.273 1.00 0.00 N ATOM 146 CA CYS A 11 1.897 -2.779 -5.720 1.00 0.00 C ATOM 147 C CYS A 11 0.658 -2.378 -4.893 1.00 0.00 C ATOM 148 O CYS A 11 0.552 -1.246 -4.418 1.00 0.00 O ATOM 149 CB CYS A 11 2.895 -3.660 -4.945 1.00 0.00 C ATOM 150 SG CYS A 11 3.427 -2.867 -3.403 1.00 0.00 S ATOM 0 H CYS A 11 2.569 -0.795 -5.678 1.00 0.00 H new ATOM 0 HA CYS A 11 1.485 -3.367 -6.540 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.434 -4.622 -4.720 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.765 -3.862 -5.570 1.00 0.00 H new ATOM 0 HG CYS A 11 4.092 -3.721 -2.683 1.00 0.00 H new ATOM 156 N PHE A 12 -0.289 -3.308 -4.764 1.00 0.00 N ATOM 157 CA PHE A 12 -1.460 -3.222 -3.891 1.00 0.00 C ATOM 158 C PHE A 12 -1.095 -3.459 -2.417 1.00 0.00 C ATOM 159 O PHE A 12 -0.247 -4.297 -2.100 1.00 0.00 O ATOM 160 CB PHE A 12 -2.496 -4.281 -4.296 1.00 0.00 C ATOM 161 CG PHE A 12 -3.202 -4.080 -5.622 1.00 0.00 C ATOM 162 CD1 PHE A 12 -2.603 -4.506 -6.823 1.00 0.00 C ATOM 163 CD2 PHE A 12 -4.503 -3.540 -5.644 1.00 0.00 C ATOM 164 CE1 PHE A 12 -3.287 -4.360 -8.043 1.00 0.00 C ATOM 165 CE2 PHE A 12 -5.191 -3.410 -6.863 1.00 0.00 C ATOM 166 CZ PHE A 12 -4.572 -3.794 -8.064 1.00 0.00 C ATOM 0 H PHE A 12 -0.259 -4.182 -5.289 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.865 -2.216 -4.001 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.998 -5.250 -4.321 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.253 -4.331 -3.513 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.617 -4.946 -6.807 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.972 -3.226 -4.723 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.824 -4.683 -8.964 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.196 -3.015 -6.876 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.085 -3.654 -9.004 1.00 0.00 H new ATOM 176 N VAL A 13 -1.817 -2.777 -1.525 1.00 0.00 N ATOM 177 CA VAL A 13 -1.761 -2.940 -0.064 1.00 0.00 C ATOM 178 C VAL A 13 -3.172 -2.942 0.527 1.00 0.00 C ATOM 179 O VAL A 13 -3.823 -1.899 0.555 1.00 0.00 O ATOM 180 CB VAL A 13 -0.916 -1.830 0.607 1.00 0.00 C ATOM 181 CG1 VAL A 13 0.541 -2.267 0.742 1.00 0.00 C ATOM 182 CG2 VAL A 13 -0.943 -0.462 -0.095 1.00 0.00 C ATOM 0 H VAL A 13 -2.488 -2.063 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.281 -3.898 0.137 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.390 -1.692 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.117 -1.472 1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.595 -3.168 1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.952 -2.473 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.319 0.242 0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.562 -0.567 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.967 -0.090 -0.129 1.00 0.00 H new ATOM 192 N GLY A 14 -3.654 -4.093 1.012 1.00 0.00 N ATOM 193 CA GLY A 14 -4.940 -4.207 1.718 1.00 0.00 C ATOM 194 C GLY A 14 -4.764 -4.376 3.227 1.00 0.00 C ATOM 195 O GLY A 14 -4.122 -5.336 3.654 1.00 0.00 O ATOM 0 H GLY A 14 -3.159 -4.981 0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.539 -3.317 1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.494 -5.058 1.322 1.00 0.00 H new ATOM 199 N SER A 15 -5.340 -3.461 4.015 1.00 0.00 N ATOM 200 CA SER A 15 -5.296 -3.428 5.499 1.00 0.00 C ATOM 201 C SER A 15 -6.081 -2.264 6.120 1.00 0.00 C ATOM 202 O SER A 15 -6.397 -2.300 7.310 1.00 0.00 O ATOM 203 CB SER A 15 -3.860 -3.260 6.025 1.00 0.00 C ATOM 204 OG SER A 15 -3.197 -2.166 5.413 1.00 0.00 O ATOM 0 H SER A 15 -5.876 -2.684 3.628 1.00 0.00 H new ATOM 0 HA SER A 15 -5.739 -4.382 5.785 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.884 -3.112 7.105 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.297 -4.175 5.841 1.00 0.00 H new ATOM 0 HG SER A 15 -2.441 -1.888 5.971 1.00 0.00 H new ATOM 210 N LEU A 16 -6.350 -1.204 5.351 1.00 0.00 N ATOM 211 CA LEU A 16 -6.802 0.092 5.854 1.00 0.00 C ATOM 212 C LEU A 16 -8.183 0.018 6.518 1.00 0.00 C ATOM 213 O LEU A 16 -8.940 -0.947 6.370 1.00 0.00 O ATOM 214 CB LEU A 16 -6.801 1.152 4.728 1.00 0.00 C ATOM 215 CG LEU A 16 -5.564 1.219 3.827 1.00 0.00 C ATOM 216 CD1 LEU A 16 -5.710 2.468 2.966 1.00 0.00 C ATOM 217 CD2 LEU A 16 -4.250 1.327 4.589 1.00 0.00 C ATOM 0 H LEU A 16 -6.256 -1.227 4.336 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.091 0.392 6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.670 0.972 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.938 2.131 5.187 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.520 0.293 3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.848 2.557 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.619 2.394 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.768 3.347 3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.422 1.370 3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.255 2.232 5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.131 0.457 5.235 1.00 0.00 H new ATOM 229 N SER A 17 -8.491 1.100 7.219 1.00 0.00 N ATOM 230 CA SER A 17 -9.734 1.350 7.952 1.00 0.00 C ATOM 231 C SER A 17 -10.248 2.749 7.613 1.00 0.00 C ATOM 232 O SER A 17 -9.481 3.583 7.135 1.00 0.00 O ATOM 233 CB SER A 17 -9.481 1.301 9.466 1.00 0.00 C ATOM 234 OG SER A 17 -8.917 0.078 9.897 1.00 0.00 O ATOM 0 H SER A 17 -7.839 1.881 7.299 1.00 0.00 H new ATOM 0 HA SER A 17 -10.459 0.587 7.670 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.815 2.118 9.743 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.422 1.465 9.991 1.00 0.00 H new ATOM 0 HG SER A 17 -8.777 0.106 10.867 1.00 0.00 H new ATOM 240 N TRP A 18 -11.492 3.056 7.979 1.00 0.00 N ATOM 241 CA TRP A 18 -12.137 4.377 7.879 1.00 0.00 C ATOM 242 C TRP A 18 -11.375 5.597 8.463 1.00 0.00 C ATOM 243 O TRP A 18 -11.828 6.727 8.274 1.00 0.00 O ATOM 244 CB TRP A 18 -13.555 4.258 8.470 1.00 0.00 C ATOM 245 CG TRP A 18 -13.701 3.917 9.932 1.00 0.00 C ATOM 246 CD1 TRP A 18 -13.527 2.691 10.487 1.00 0.00 C ATOM 247 CD2 TRP A 18 -14.190 4.766 11.021 1.00 0.00 C ATOM 248 NE1 TRP A 18 -13.857 2.727 11.829 1.00 0.00 N ATOM 249 CE2 TRP A 18 -14.313 3.970 12.201 1.00 0.00 C ATOM 250 CE3 TRP A 18 -14.587 6.117 11.125 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -14.817 4.478 13.407 1.00 0.00 C ATOM 252 CZ3 TRP A 18 -15.114 6.635 12.326 1.00 0.00 C ATOM 253 CH2 TRP A 18 -15.235 5.818 13.465 1.00 0.00 C ATOM 0 H TRP A 18 -12.117 2.354 8.376 1.00 0.00 H new ATOM 0 HA TRP A 18 -12.148 4.618 6.816 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -14.066 5.205 8.298 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -14.090 3.500 7.898 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -13.181 1.815 9.958 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.773 1.932 12.463 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -14.485 6.766 10.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -14.883 3.847 14.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -15.427 7.668 12.372 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -15.647 6.219 14.379 1.00 0.00 H new ATOM 264 N ASN A 19 -10.226 5.409 9.128 1.00 0.00 N ATOM 265 CA ASN A 19 -9.294 6.470 9.544 1.00 0.00 C ATOM 266 C ASN A 19 -7.816 6.246 9.118 1.00 0.00 C ATOM 267 O ASN A 19 -6.995 7.149 9.302 1.00 0.00 O ATOM 268 CB ASN A 19 -9.442 6.649 11.064 1.00 0.00 C ATOM 269 CG ASN A 19 -8.672 7.833 11.633 1.00 0.00 C ATOM 270 OD1 ASN A 19 -8.651 8.924 11.078 1.00 0.00 O ATOM 271 ND2 ASN A 19 -8.032 7.648 12.760 1.00 0.00 N ATOM 0 H ASN A 19 -9.907 4.480 9.402 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.565 7.384 9.016 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.499 6.769 11.303 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.105 5.739 11.560 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.511 8.416 13.182 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.055 6.736 13.216 1.00 0.00 H new ATOM 278 N THR A 20 -7.439 5.094 8.549 1.00 0.00 N ATOM 279 CA THR A 20 -6.092 4.878 7.968 1.00 0.00 C ATOM 280 C THR A 20 -6.060 5.444 6.554 1.00 0.00 C ATOM 281 O THR A 20 -7.054 5.354 5.829 1.00 0.00 O ATOM 282 CB THR A 20 -5.675 3.397 7.879 1.00 0.00 C ATOM 283 OG1 THR A 20 -6.228 2.619 8.915 1.00 0.00 O ATOM 284 CG2 THR A 20 -4.155 3.204 7.905 1.00 0.00 C ATOM 0 H THR A 20 -8.052 4.282 8.475 1.00 0.00 H new ATOM 0 HA THR A 20 -5.395 5.379 8.639 1.00 0.00 H new ATOM 0 HB THR A 20 -6.065 3.062 6.918 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.584 2.547 9.650 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.922 2.141 7.839 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.707 3.726 7.060 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.753 3.607 8.835 1.00 0.00 H new ATOM 292 N ASP A 21 -4.930 6.001 6.119 1.00 0.00 N ATOM 293 CA ASP A 21 -4.779 6.443 4.735 1.00 0.00 C ATOM 294 C ASP A 21 -3.329 6.373 4.208 1.00 0.00 C ATOM 295 O ASP A 21 -2.441 5.779 4.825 1.00 0.00 O ATOM 296 CB ASP A 21 -5.418 7.846 4.590 1.00 0.00 C ATOM 297 CG ASP A 21 -4.708 8.952 5.374 1.00 0.00 C ATOM 298 OD1 ASP A 21 -3.639 9.400 4.907 1.00 0.00 O ATOM 299 OD2 ASP A 21 -5.256 9.427 6.405 1.00 0.00 O ATOM 0 H ASP A 21 -4.109 6.156 6.704 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.310 5.742 4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.431 8.118 3.534 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.456 7.794 4.919 1.00 0.00 H new ATOM 304 N ASP A 22 -3.078 6.974 3.039 1.00 0.00 N ATOM 305 CA ASP A 22 -1.759 7.015 2.394 1.00 0.00 C ATOM 306 C ASP A 22 -0.646 7.655 3.246 1.00 0.00 C ATOM 307 O ASP A 22 0.535 7.415 2.980 1.00 0.00 O ATOM 308 CB ASP A 22 -1.865 7.721 1.036 1.00 0.00 C ATOM 309 CG ASP A 22 -2.449 9.131 1.127 1.00 0.00 C ATOM 310 OD1 ASP A 22 -1.713 10.071 1.515 1.00 0.00 O ATOM 311 OD2 ASP A 22 -3.650 9.287 0.813 1.00 0.00 O ATOM 0 H ASP A 22 -3.800 7.455 2.504 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.459 5.975 2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.874 7.775 0.585 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.486 7.121 0.371 1.00 0.00 H new ATOM 316 N ARG A 23 -0.988 8.460 4.260 1.00 0.00 N ATOM 317 CA ARG A 23 -0.036 9.033 5.229 1.00 0.00 C ATOM 318 C ARG A 23 0.694 7.942 6.014 1.00 0.00 C ATOM 319 O ARG A 23 1.921 8.005 6.127 1.00 0.00 O ATOM 320 CB ARG A 23 -0.793 10.015 6.148 1.00 0.00 C ATOM 321 CG ARG A 23 0.055 10.768 7.194 1.00 0.00 C ATOM 322 CD ARG A 23 0.446 9.971 8.452 1.00 0.00 C ATOM 323 NE ARG A 23 -0.732 9.443 9.160 1.00 0.00 N ATOM 324 CZ ARG A 23 -0.764 8.476 10.057 1.00 0.00 C ATOM 325 NH1 ARG A 23 0.284 7.821 10.447 1.00 0.00 N ATOM 326 NH2 ARG A 23 -1.888 8.138 10.605 1.00 0.00 N ATOM 0 H ARG A 23 -1.953 8.739 4.436 1.00 0.00 H new ATOM 0 HA ARG A 23 0.741 9.582 4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.295 10.752 5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.571 9.461 6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.968 11.114 6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.496 11.655 7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.099 9.145 8.169 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.016 10.612 9.125 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.627 9.875 8.930 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.199 8.044 10.056 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.194 7.083 11.145 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.748 8.619 10.343 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.913 7.390 11.298 1.00 0.00 H new ATOM 340 N GLY A 24 -0.034 6.954 6.541 1.00 0.00 N ATOM 341 CA GLY A 24 0.535 5.871 7.349 1.00 0.00 C ATOM 342 C GLY A 24 1.351 4.884 6.515 1.00 0.00 C ATOM 343 O GLY A 24 2.480 4.552 6.894 1.00 0.00 O ATOM 0 H GLY A 24 -1.044 6.882 6.418 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.170 6.297 8.126 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.270 5.337 7.853 1.00 0.00 H new ATOM 347 N LEU A 25 0.825 4.488 5.344 1.00 0.00 N ATOM 348 CA LEU A 25 1.560 3.679 4.355 1.00 0.00 C ATOM 349 C LEU A 25 2.907 4.320 3.962 1.00 0.00 C ATOM 350 O LEU A 25 3.937 3.650 4.008 1.00 0.00 O ATOM 351 CB LEU A 25 0.708 3.453 3.085 1.00 0.00 C ATOM 352 CG LEU A 25 -0.581 2.632 3.265 1.00 0.00 C ATOM 353 CD1 LEU A 25 -1.388 2.696 1.965 1.00 0.00 C ATOM 354 CD2 LEU A 25 -0.266 1.167 3.581 1.00 0.00 C ATOM 0 H LEU A 25 -0.125 4.720 5.055 1.00 0.00 H new ATOM 0 HA LEU A 25 1.767 2.720 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.439 4.427 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.329 2.955 2.340 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.147 3.050 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.305 2.118 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.638 3.733 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.796 2.282 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.197 0.613 3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.310 0.734 2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.313 1.110 4.503 1.00 0.00 H new ATOM 366 N GLU A 26 2.925 5.618 3.632 1.00 0.00 N ATOM 367 CA GLU A 26 4.142 6.352 3.241 1.00 0.00 C ATOM 368 C GLU A 26 5.272 6.205 4.278 1.00 0.00 C ATOM 369 O GLU A 26 6.425 5.963 3.907 1.00 0.00 O ATOM 370 CB GLU A 26 3.767 7.831 3.033 1.00 0.00 C ATOM 371 CG GLU A 26 4.932 8.764 2.670 1.00 0.00 C ATOM 372 CD GLU A 26 4.475 10.228 2.658 1.00 0.00 C ATOM 373 OE1 GLU A 26 4.086 10.753 3.730 1.00 0.00 O ATOM 374 OE2 GLU A 26 4.514 10.883 1.588 1.00 0.00 O ATOM 0 H GLU A 26 2.086 6.198 3.628 1.00 0.00 H new ATOM 0 HA GLU A 26 4.529 5.929 2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.018 7.890 2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.299 8.201 3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.742 8.637 3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.328 8.494 1.691 1.00 0.00 H new ATOM 381 N ALA A 27 4.955 6.299 5.573 1.00 0.00 N ATOM 382 CA ALA A 27 5.945 6.233 6.647 1.00 0.00 C ATOM 383 C ALA A 27 6.439 4.808 6.950 1.00 0.00 C ATOM 384 O ALA A 27 7.625 4.622 7.239 1.00 0.00 O ATOM 385 CB ALA A 27 5.327 6.884 7.881 1.00 0.00 C ATOM 0 H ALA A 27 3.999 6.424 5.905 1.00 0.00 H new ATOM 0 HA ALA A 27 6.840 6.768 6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.040 6.852 8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.076 7.921 7.658 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.423 6.344 8.163 1.00 0.00 H new ATOM 391 N ALA A 28 5.567 3.797 6.844 1.00 0.00 N ATOM 392 CA ALA A 28 5.947 2.395 7.037 1.00 0.00 C ATOM 393 C ALA A 28 6.828 1.876 5.882 1.00 0.00 C ATOM 394 O ALA A 28 7.809 1.168 6.118 1.00 0.00 O ATOM 395 CB ALA A 28 4.673 1.560 7.220 1.00 0.00 C ATOM 0 H ALA A 28 4.580 3.929 6.622 1.00 0.00 H new ATOM 0 HA ALA A 28 6.559 2.305 7.935 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.941 0.514 7.365 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.125 1.918 8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.046 1.654 6.334 1.00 0.00 H new ATOM 401 N PHE A 29 6.529 2.269 4.637 1.00 0.00 N ATOM 402 CA PHE A 29 7.308 1.870 3.458 1.00 0.00 C ATOM 403 C PHE A 29 8.599 2.694 3.268 1.00 0.00 C ATOM 404 O PHE A 29 9.589 2.161 2.760 1.00 0.00 O ATOM 405 CB PHE A 29 6.398 1.871 2.219 1.00 0.00 C ATOM 406 CG PHE A 29 5.514 0.636 2.109 1.00 0.00 C ATOM 407 CD1 PHE A 29 4.335 0.507 2.871 1.00 0.00 C ATOM 408 CD2 PHE A 29 5.885 -0.406 1.240 1.00 0.00 C ATOM 409 CE1 PHE A 29 3.534 -0.642 2.755 1.00 0.00 C ATOM 410 CE2 PHE A 29 5.082 -1.556 1.117 1.00 0.00 C ATOM 411 CZ PHE A 29 3.906 -1.673 1.876 1.00 0.00 C ATOM 0 H PHE A 29 5.738 2.874 4.419 1.00 0.00 H new ATOM 0 HA PHE A 29 7.668 0.854 3.617 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.766 2.759 2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.017 1.945 1.325 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.045 1.297 3.549 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.794 -0.323 0.662 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.632 -0.732 3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.370 -2.347 0.440 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.289 -2.554 1.784 1.00 0.00 H new ATOM 421 N SER A 30 8.654 3.942 3.764 1.00 0.00 N ATOM 422 CA SER A 30 9.892 4.752 3.803 1.00 0.00 C ATOM 423 C SER A 30 11.054 4.061 4.532 1.00 0.00 C ATOM 424 O SER A 30 12.217 4.328 4.230 1.00 0.00 O ATOM 425 CB SER A 30 9.650 6.098 4.496 1.00 0.00 C ATOM 426 OG SER A 30 8.869 6.959 3.689 1.00 0.00 O ATOM 0 H SER A 30 7.841 4.422 4.151 1.00 0.00 H new ATOM 0 HA SER A 30 10.168 4.890 2.758 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.147 5.934 5.449 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.606 6.572 4.718 1.00 0.00 H new ATOM 0 HG SER A 30 7.918 6.777 3.842 1.00 0.00 H new ATOM 432 N SER A 31 10.771 3.135 5.453 1.00 0.00 N ATOM 433 CA SER A 31 11.793 2.353 6.157 1.00 0.00 C ATOM 434 C SER A 31 12.562 1.385 5.246 1.00 0.00 C ATOM 435 O SER A 31 13.722 1.075 5.526 1.00 0.00 O ATOM 436 CB SER A 31 11.145 1.567 7.301 1.00 0.00 C ATOM 437 OG SER A 31 10.388 2.439 8.116 1.00 0.00 O ATOM 0 H SER A 31 9.818 2.905 5.734 1.00 0.00 H new ATOM 0 HA SER A 31 12.520 3.069 6.540 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.503 0.784 6.898 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.914 1.074 7.896 1.00 0.00 H new ATOM 0 HG SER A 31 9.975 1.930 8.844 1.00 0.00 H new ATOM 443 N PHE A 32 11.962 0.925 4.143 1.00 0.00 N ATOM 444 CA PHE A 32 12.563 -0.084 3.261 1.00 0.00 C ATOM 445 C PHE A 32 13.407 0.517 2.125 1.00 0.00 C ATOM 446 O PHE A 32 14.313 -0.155 1.620 1.00 0.00 O ATOM 447 CB PHE A 32 11.467 -1.015 2.727 1.00 0.00 C ATOM 448 CG PHE A 32 10.807 -1.853 3.807 1.00 0.00 C ATOM 449 CD1 PHE A 32 9.728 -1.334 4.548 1.00 0.00 C ATOM 450 CD2 PHE A 32 11.287 -3.146 4.094 1.00 0.00 C ATOM 451 CE1 PHE A 32 9.129 -2.102 5.561 1.00 0.00 C ATOM 452 CE2 PHE A 32 10.677 -3.921 5.097 1.00 0.00 C ATOM 453 CZ PHE A 32 9.594 -3.401 5.828 1.00 0.00 C ATOM 0 H PHE A 32 11.043 1.242 3.835 1.00 0.00 H new ATOM 0 HA PHE A 32 13.268 -0.662 3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.706 -0.417 2.226 1.00 0.00 H new ATOM 0 HB3 PHE A 32 11.898 -1.678 1.976 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.359 -0.341 4.337 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.126 -3.543 3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.310 -1.693 6.135 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.041 -4.916 5.306 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.121 -3.999 6.593 1.00 0.00 H new ATOM 463 N GLY A 33 13.139 1.773 1.748 1.00 0.00 N ATOM 464 CA GLY A 33 13.919 2.526 0.758 1.00 0.00 C ATOM 465 C GLY A 33 13.324 3.901 0.442 1.00 0.00 C ATOM 466 O GLY A 33 12.717 4.543 1.301 1.00 0.00 O ATOM 0 H GLY A 33 12.358 2.305 2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.937 2.654 1.127 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.984 1.945 -0.162 1.00 0.00 H new ATOM 470 N GLU A 34 13.499 4.373 -0.791 1.00 0.00 N ATOM 471 CA GLU A 34 13.031 5.690 -1.229 1.00 0.00 C ATOM 472 C GLU A 34 11.605 5.637 -1.805 1.00 0.00 C ATOM 473 O GLU A 34 11.366 5.141 -2.915 1.00 0.00 O ATOM 474 CB GLU A 34 14.024 6.309 -2.216 1.00 0.00 C ATOM 475 CG GLU A 34 15.417 6.535 -1.616 1.00 0.00 C ATOM 476 CD GLU A 34 16.287 7.284 -2.622 1.00 0.00 C ATOM 477 OE1 GLU A 34 16.645 6.690 -3.669 1.00 0.00 O ATOM 478 OE2 GLU A 34 16.593 8.482 -2.411 1.00 0.00 O ATOM 0 H GLU A 34 13.975 3.847 -1.524 1.00 0.00 H new ATOM 0 HA GLU A 34 12.980 6.335 -0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.112 5.659 -3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.629 7.262 -2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.338 7.106 -0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.875 5.579 -1.363 1.00 0.00 H new ATOM 485 N ILE A 35 10.648 6.171 -1.043 1.00 0.00 N ATOM 486 CA ILE A 35 9.214 6.186 -1.371 1.00 0.00 C ATOM 487 C ILE A 35 8.909 7.105 -2.569 1.00 0.00 C ATOM 488 O ILE A 35 9.548 8.152 -2.734 1.00 0.00 O ATOM 489 CB ILE A 35 8.402 6.537 -0.097 1.00 0.00 C ATOM 490 CG1 ILE A 35 6.890 6.260 -0.214 1.00 0.00 C ATOM 491 CG2 ILE A 35 8.604 7.999 0.341 1.00 0.00 C ATOM 492 CD1 ILE A 35 6.556 4.770 -0.342 1.00 0.00 C ATOM 0 H ILE A 35 10.853 6.621 -0.151 1.00 0.00 H new ATOM 0 HA ILE A 35 8.905 5.193 -1.697 1.00 0.00 H new ATOM 0 HB ILE A 35 8.805 5.865 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.384 6.665 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.497 6.790 -1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.015 8.195 1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.659 8.172 0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.282 8.666 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.476 4.645 -0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.034 4.365 -1.234 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.920 4.239 0.537 1.00 0.00 H new ATOM 504 N LEU A 36 7.949 6.713 -3.417 1.00 0.00 N ATOM 505 CA LEU A 36 7.490 7.496 -4.574 1.00 0.00 C ATOM 506 C LEU A 36 6.015 7.926 -4.484 1.00 0.00 C ATOM 507 O LEU A 36 5.695 9.067 -4.815 1.00 0.00 O ATOM 508 CB LEU A 36 7.802 6.699 -5.854 1.00 0.00 C ATOM 509 CG LEU A 36 7.531 7.444 -7.172 1.00 0.00 C ATOM 510 CD1 LEU A 36 8.409 8.681 -7.341 1.00 0.00 C ATOM 511 CD2 LEU A 36 7.820 6.507 -8.340 1.00 0.00 C ATOM 0 H LEU A 36 7.459 5.824 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 36 8.034 8.441 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.851 6.403 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.212 5.783 -5.845 1.00 0.00 H new ATOM 0 HG LEU A 36 6.489 7.763 -7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.175 9.167 -8.288 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.222 9.375 -6.521 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.458 8.386 -7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.630 7.027 -9.279 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.863 6.191 -8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.174 5.632 -8.273 1.00 0.00 H new ATOM 523 N ASP A 37 5.105 7.064 -4.027 1.00 0.00 N ATOM 524 CA ASP A 37 3.664 7.365 -3.944 1.00 0.00 C ATOM 525 C ASP A 37 2.954 6.480 -2.923 1.00 0.00 C ATOM 526 O ASP A 37 3.386 5.348 -2.693 1.00 0.00 O ATOM 527 CB ASP A 37 3.004 7.074 -5.304 1.00 0.00 C ATOM 528 CG ASP A 37 1.640 7.727 -5.540 1.00 0.00 C ATOM 529 OD1 ASP A 37 1.364 8.820 -4.984 1.00 0.00 O ATOM 530 OD2 ASP A 37 0.853 7.164 -6.337 1.00 0.00 O ATOM 0 H ASP A 37 5.344 6.128 -3.700 1.00 0.00 H new ATOM 0 HA ASP A 37 3.574 8.412 -3.653 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.682 7.400 -6.092 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.891 5.995 -5.407 1.00 0.00 H new ATOM 535 N ALA A 38 1.792 6.930 -2.443 1.00 0.00 N ATOM 536 CA ALA A 38 0.705 6.010 -2.144 1.00 0.00 C ATOM 537 C ALA A 38 -0.694 6.626 -2.359 1.00 0.00 C ATOM 538 O ALA A 38 -0.865 7.847 -2.244 1.00 0.00 O ATOM 539 CB ALA A 38 0.863 5.453 -0.717 1.00 0.00 C ATOM 0 H ALA A 38 1.586 7.912 -2.257 1.00 0.00 H new ATOM 0 HA ALA A 38 0.774 5.189 -2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.045 4.765 -0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.813 4.924 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.844 6.275 -0.001 1.00 0.00 H new ATOM 545 N LYS A 39 -1.680 5.774 -2.679 1.00 0.00 N ATOM 546 CA LYS A 39 -3.105 6.085 -2.941 1.00 0.00 C ATOM 547 C LYS A 39 -4.021 5.479 -1.874 1.00 0.00 C ATOM 548 O LYS A 39 -3.864 4.306 -1.549 1.00 0.00 O ATOM 549 CB LYS A 39 -3.468 5.516 -4.332 1.00 0.00 C ATOM 550 CG LYS A 39 -4.957 5.524 -4.748 1.00 0.00 C ATOM 551 CD LYS A 39 -5.573 6.929 -4.761 1.00 0.00 C ATOM 552 CE LYS A 39 -6.951 6.910 -5.436 1.00 0.00 C ATOM 553 NZ LYS A 39 -6.936 7.624 -6.733 1.00 0.00 N ATOM 0 H LYS A 39 -1.495 4.775 -2.770 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.248 7.165 -2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.908 6.078 -5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.114 4.486 -4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.053 5.083 -5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.523 4.893 -4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.667 7.300 -3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.913 7.616 -5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.265 5.878 -5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.686 7.370 -4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.884 7.590 -7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.660 8.615 -6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.253 7.169 -7.372 1.00 0.00 H new ATOM 567 N ILE A 40 -5.033 6.228 -1.423 1.00 0.00 N ATOM 568 CA ILE A 40 -6.181 5.719 -0.647 1.00 0.00 C ATOM 569 C ILE A 40 -7.450 5.693 -1.525 1.00 0.00 C ATOM 570 O ILE A 40 -7.733 6.673 -2.222 1.00 0.00 O ATOM 571 CB ILE A 40 -6.328 6.554 0.652 1.00 0.00 C ATOM 572 CG1 ILE A 40 -6.890 5.757 1.845 1.00 0.00 C ATOM 573 CG2 ILE A 40 -7.088 7.879 0.472 1.00 0.00 C ATOM 574 CD1 ILE A 40 -8.217 5.011 1.657 1.00 0.00 C ATOM 0 H ILE A 40 -5.082 7.233 -1.590 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.015 4.686 -0.340 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.298 6.816 0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.137 5.027 2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.012 6.448 2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.145 8.399 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.563 8.504 -0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.096 7.674 0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.481 4.499 2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -9.001 5.723 1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.113 4.280 0.855 1.00 0.00 H new ATOM 586 N ILE A 41 -8.225 4.598 -1.522 1.00 0.00 N ATOM 587 CA ILE A 41 -9.468 4.487 -2.316 1.00 0.00 C ATOM 588 C ILE A 41 -10.727 4.132 -1.496 1.00 0.00 C ATOM 589 O ILE A 41 -10.736 3.293 -0.584 1.00 0.00 O ATOM 590 CB ILE A 41 -9.225 3.689 -3.618 1.00 0.00 C ATOM 591 CG1 ILE A 41 -10.376 3.775 -4.648 1.00 0.00 C ATOM 592 CG2 ILE A 41 -8.834 2.225 -3.379 1.00 0.00 C ATOM 593 CD1 ILE A 41 -10.626 5.185 -5.199 1.00 0.00 C ATOM 0 H ILE A 41 -8.013 3.765 -0.973 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.739 5.487 -2.653 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.367 4.197 -4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.154 3.107 -5.480 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.292 3.412 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.680 1.729 -4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.913 2.185 -2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.631 1.720 -2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.448 5.156 -5.914 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.882 5.856 -4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.726 5.546 -5.696 1.00 0.00 H new ATOM 715 N SER A 49 -15.197 2.873 2.561 1.00 0.00 N ATOM 716 CA SER A 49 -13.788 2.680 2.207 1.00 0.00 C ATOM 717 C SER A 49 -13.613 1.359 1.457 1.00 0.00 C ATOM 718 O SER A 49 -14.197 0.343 1.836 1.00 0.00 O ATOM 719 CB SER A 49 -12.911 2.726 3.465 1.00 0.00 C ATOM 720 OG SER A 49 -12.934 4.032 4.009 1.00 0.00 O ATOM 0 HA SER A 49 -13.471 3.489 1.549 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.274 2.008 4.200 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.888 2.441 3.219 1.00 0.00 H new ATOM 0 HG SER A 49 -13.774 4.474 3.764 1.00 0.00 H new ATOM 726 N ARG A 50 -12.762 1.338 0.420 1.00 0.00 N ATOM 727 CA ARG A 50 -12.288 0.069 -0.168 1.00 0.00 C ATOM 728 C ARG A 50 -11.364 -0.630 0.839 1.00 0.00 C ATOM 729 O ARG A 50 -11.385 -1.850 0.988 1.00 0.00 O ATOM 730 CB ARG A 50 -11.560 0.323 -1.505 1.00 0.00 C ATOM 731 CG ARG A 50 -12.380 1.060 -2.580 1.00 0.00 C ATOM 732 CD ARG A 50 -13.569 0.298 -3.154 1.00 0.00 C ATOM 733 NE ARG A 50 -13.166 -0.907 -3.904 1.00 0.00 N ATOM 734 CZ ARG A 50 -13.586 -2.146 -3.721 1.00 0.00 C ATOM 735 NH1 ARG A 50 -14.407 -2.495 -2.778 1.00 0.00 N ATOM 736 NH2 ARG A 50 -13.200 -3.122 -4.481 1.00 0.00 N ATOM 0 H ARG A 50 -12.389 2.175 -0.028 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.141 -0.575 -0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.658 0.900 -1.303 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.240 -0.636 -1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.745 1.994 -2.153 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.712 1.323 -3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.236 0.009 -2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.135 0.958 -3.812 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.484 -0.767 -4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.764 -1.795 -2.128 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.695 -3.469 -2.687 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.552 -2.945 -5.249 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.544 -4.067 -4.312 1.00 0.00 H new ATOM 750 N GLY A 51 -10.605 0.176 1.586 1.00 0.00 N ATOM 751 CA GLY A 51 -9.740 -0.284 2.686 1.00 0.00 C ATOM 752 C GLY A 51 -8.435 -0.927 2.197 1.00 0.00 C ATOM 753 O GLY A 51 -7.746 -1.645 2.921 1.00 0.00 O ATOM 0 H GLY A 51 -10.571 1.186 1.444 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.502 0.562 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.287 -1.004 3.294 1.00 0.00 H new ATOM 757 N PHE A 52 -8.085 -0.634 0.952 1.00 0.00 N ATOM 758 CA PHE A 52 -6.809 -0.930 0.333 1.00 0.00 C ATOM 759 C PHE A 52 -6.294 0.325 -0.375 1.00 0.00 C ATOM 760 O PHE A 52 -6.970 1.358 -0.431 1.00 0.00 O ATOM 761 CB PHE A 52 -6.931 -2.162 -0.585 1.00 0.00 C ATOM 762 CG PHE A 52 -7.886 -2.065 -1.764 1.00 0.00 C ATOM 763 CD1 PHE A 52 -7.514 -1.370 -2.933 1.00 0.00 C ATOM 764 CD2 PHE A 52 -9.113 -2.756 -1.727 1.00 0.00 C ATOM 765 CE1 PHE A 52 -8.370 -1.358 -4.051 1.00 0.00 C ATOM 766 CE2 PHE A 52 -9.954 -2.763 -2.853 1.00 0.00 C ATOM 767 CZ PHE A 52 -9.585 -2.060 -4.012 1.00 0.00 C ATOM 0 H PHE A 52 -8.723 -0.157 0.315 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.067 -1.198 1.085 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.939 -2.392 -0.973 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.238 -3.010 0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.571 -0.846 -2.971 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.408 -3.282 -0.831 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.092 -0.809 -4.938 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.885 -3.310 -2.827 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.236 -2.060 -4.873 1.00 0.00 H new ATOM 777 N GLY A 53 -5.082 0.235 -0.901 1.00 0.00 N ATOM 778 CA GLY A 53 -4.432 1.305 -1.632 1.00 0.00 C ATOM 779 C GLY A 53 -3.384 0.781 -2.602 1.00 0.00 C ATOM 780 O GLY A 53 -3.163 -0.428 -2.722 1.00 0.00 O ATOM 0 H GLY A 53 -4.511 -0.607 -0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.181 1.875 -2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.962 1.992 -0.928 1.00 0.00 H new ATOM 784 N PHE A 54 -2.714 1.719 -3.260 1.00 0.00 N ATOM 785 CA PHE A 54 -1.497 1.462 -4.028 1.00 0.00 C ATOM 786 C PHE A 54 -0.311 2.099 -3.300 1.00 0.00 C ATOM 787 O PHE A 54 -0.474 3.138 -2.655 1.00 0.00 O ATOM 788 CB PHE A 54 -1.626 2.002 -5.462 1.00 0.00 C ATOM 789 CG PHE A 54 -2.935 1.704 -6.175 1.00 0.00 C ATOM 790 CD1 PHE A 54 -3.471 0.401 -6.195 1.00 0.00 C ATOM 791 CD2 PHE A 54 -3.628 2.748 -6.820 1.00 0.00 C ATOM 792 CE1 PHE A 54 -4.698 0.157 -6.837 1.00 0.00 C ATOM 793 CE2 PHE A 54 -4.849 2.497 -7.469 1.00 0.00 C ATOM 794 CZ PHE A 54 -5.390 1.202 -7.473 1.00 0.00 C ATOM 0 H PHE A 54 -3.004 2.697 -3.277 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.336 0.387 -4.106 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.489 3.083 -5.435 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.810 1.592 -6.057 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.940 -0.409 -5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.218 3.747 -6.816 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.112 -0.841 -6.841 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.372 3.301 -7.965 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.333 1.009 -7.962 1.00 0.00 H new ATOM 804 N VAL A 55 0.870 1.497 -3.409 1.00 0.00 N ATOM 805 CA VAL A 55 2.136 2.069 -2.932 1.00 0.00 C ATOM 806 C VAL A 55 3.227 1.863 -3.982 1.00 0.00 C ATOM 807 O VAL A 55 3.311 0.793 -4.600 1.00 0.00 O ATOM 808 CB VAL A 55 2.501 1.527 -1.533 1.00 0.00 C ATOM 809 CG1 VAL A 55 2.765 0.019 -1.500 1.00 0.00 C ATOM 810 CG2 VAL A 55 3.716 2.242 -0.935 1.00 0.00 C ATOM 0 H VAL A 55 0.981 0.579 -3.839 1.00 0.00 H new ATOM 0 HA VAL A 55 2.027 3.146 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 55 1.614 1.730 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.015 -0.284 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.873 -0.514 -1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.596 -0.220 -2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.935 1.827 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.578 2.102 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.501 3.306 -0.840 1.00 0.00 H new ATOM 820 N SER A 56 4.043 2.899 -4.197 1.00 0.00 N ATOM 821 CA SER A 56 5.050 2.944 -5.263 1.00 0.00 C ATOM 822 C SER A 56 6.435 3.339 -4.747 1.00 0.00 C ATOM 823 O SER A 56 6.569 4.202 -3.875 1.00 0.00 O ATOM 824 CB SER A 56 4.640 3.883 -6.408 1.00 0.00 C ATOM 825 OG SER A 56 3.290 3.701 -6.798 1.00 0.00 O ATOM 0 H SER A 56 4.023 3.744 -3.626 1.00 0.00 H new ATOM 0 HA SER A 56 5.108 1.927 -5.650 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.789 4.917 -6.098 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.290 3.711 -7.266 1.00 0.00 H new ATOM 0 HG SER A 56 3.074 4.320 -7.527 1.00 0.00 H new ATOM 831 N PHE A 57 7.474 2.745 -5.335 1.00 0.00 N ATOM 832 CA PHE A 57 8.881 2.889 -4.943 1.00 0.00 C ATOM 833 C PHE A 57 9.705 3.612 -6.021 1.00 0.00 C ATOM 834 O PHE A 57 9.331 3.642 -7.197 1.00 0.00 O ATOM 835 CB PHE A 57 9.495 1.502 -4.670 1.00 0.00 C ATOM 836 CG PHE A 57 8.768 0.623 -3.669 1.00 0.00 C ATOM 837 CD1 PHE A 57 7.634 -0.114 -4.066 1.00 0.00 C ATOM 838 CD2 PHE A 57 9.260 0.489 -2.356 1.00 0.00 C ATOM 839 CE1 PHE A 57 6.989 -0.967 -3.155 1.00 0.00 C ATOM 840 CE2 PHE A 57 8.626 -0.379 -1.450 1.00 0.00 C ATOM 841 CZ PHE A 57 7.491 -1.107 -1.852 1.00 0.00 C ATOM 0 H PHE A 57 7.355 2.122 -6.134 1.00 0.00 H new ATOM 0 HA PHE A 57 8.909 3.494 -4.037 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.555 0.964 -5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.517 1.645 -4.319 1.00 0.00 H new ATOM 0 HD1 PHE A 57 7.259 -0.023 -5.075 1.00 0.00 H new ATOM 0 HD2 PHE A 57 10.126 1.054 -2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.108 -1.514 -3.457 1.00 0.00 H new ATOM 0 HE2 PHE A 57 9.010 -0.487 -0.446 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.005 -1.775 -1.156 1.00 0.00 H new ATOM 851 N SER A 58 10.870 4.135 -5.626 1.00 0.00 N ATOM 852 CA SER A 58 11.894 4.675 -6.540 1.00 0.00 C ATOM 853 C SER A 58 13.227 3.900 -6.526 1.00 0.00 C ATOM 854 O SER A 58 14.185 4.328 -7.170 1.00 0.00 O ATOM 855 CB SER A 58 12.074 6.179 -6.314 1.00 0.00 C ATOM 856 OG SER A 58 12.595 6.452 -5.028 1.00 0.00 O ATOM 0 H SER A 58 11.137 4.198 -4.644 1.00 0.00 H new ATOM 0 HA SER A 58 11.519 4.527 -7.553 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.744 6.584 -7.072 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.115 6.683 -6.434 1.00 0.00 H new ATOM 0 HG SER A 58 12.093 5.944 -4.357 1.00 0.00 H new ATOM 862 N ASN A 59 13.281 2.743 -5.847 1.00 0.00 N ATOM 863 CA ASN A 59 14.362 1.757 -5.968 1.00 0.00 C ATOM 864 C ASN A 59 13.797 0.343 -6.194 1.00 0.00 C ATOM 865 O ASN A 59 12.828 -0.055 -5.544 1.00 0.00 O ATOM 866 CB ASN A 59 15.293 1.726 -4.738 1.00 0.00 C ATOM 867 CG ASN A 59 15.506 3.045 -4.022 1.00 0.00 C ATOM 868 OD1 ASN A 59 15.037 3.238 -2.913 1.00 0.00 O ATOM 869 ND2 ASN A 59 16.239 3.970 -4.593 1.00 0.00 N ATOM 0 H ASN A 59 12.558 2.463 -5.185 1.00 0.00 H new ATOM 0 HA ASN A 59 14.950 2.071 -6.830 1.00 0.00 H new ATOM 0 HB2 ASN A 59 14.890 1.010 -4.022 1.00 0.00 H new ATOM 0 HB3 ASN A 59 16.265 1.348 -5.054 1.00 0.00 H new ATOM 0 HD21 ASN A 59 16.417 4.850 -4.110 1.00 0.00 H new ATOM 0 HD22 ASN A 59 16.632 3.809 -5.521 1.00 0.00 H new ATOM 876 N GLU A 60 14.460 -0.433 -7.048 1.00 0.00 N ATOM 877 CA GLU A 60 14.097 -1.808 -7.409 1.00 0.00 C ATOM 878 C GLU A 60 14.140 -2.800 -6.228 1.00 0.00 C ATOM 879 O GLU A 60 13.150 -3.482 -5.950 1.00 0.00 O ATOM 880 CB GLU A 60 15.057 -2.238 -8.527 1.00 0.00 C ATOM 881 CG GLU A 60 14.801 -3.644 -9.077 1.00 0.00 C ATOM 882 CD GLU A 60 15.840 -3.986 -10.149 1.00 0.00 C ATOM 883 OE1 GLU A 60 17.008 -4.288 -9.807 1.00 0.00 O ATOM 884 OE2 GLU A 60 15.500 -3.937 -11.353 1.00 0.00 O ATOM 0 H GLU A 60 15.300 -0.111 -7.529 1.00 0.00 H new ATOM 0 HA GLU A 60 13.057 -1.824 -7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.985 -1.522 -9.346 1.00 0.00 H new ATOM 0 HB3 GLU A 60 16.079 -2.189 -8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.847 -4.373 -8.268 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.798 -3.701 -9.500 1.00 0.00 H new ATOM 891 N GLN A 61 15.267 -2.886 -5.509 1.00 0.00 N ATOM 892 CA GLN A 61 15.427 -3.853 -4.414 1.00 0.00 C ATOM 893 C GLN A 61 14.551 -3.509 -3.202 1.00 0.00 C ATOM 894 O GLN A 61 14.031 -4.415 -2.552 1.00 0.00 O ATOM 895 CB GLN A 61 16.905 -3.958 -4.010 1.00 0.00 C ATOM 896 CG GLN A 61 17.730 -4.760 -5.027 1.00 0.00 C ATOM 897 CD GLN A 61 19.206 -4.861 -4.640 1.00 0.00 C ATOM 898 OE1 GLN A 61 19.863 -3.885 -4.289 1.00 0.00 O ATOM 899 NE2 GLN A 61 19.792 -6.034 -4.692 1.00 0.00 N ATOM 0 H GLN A 61 16.084 -2.296 -5.666 1.00 0.00 H new ATOM 0 HA GLN A 61 15.090 -4.823 -4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.325 -2.957 -3.913 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.979 -4.431 -3.031 1.00 0.00 H new ATOM 0 HG2 GLN A 61 17.313 -5.763 -5.117 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.647 -4.291 -6.007 1.00 0.00 H new ATOM 0 HE21 GLN A 61 19.262 -6.856 -4.981 1.00 0.00 H new ATOM 0 HE22 GLN A 61 20.777 -6.123 -4.443 1.00 0.00 H new ATOM 908 N ALA A 62 14.306 -2.219 -2.939 1.00 0.00 N ATOM 909 CA ALA A 62 13.433 -1.771 -1.853 1.00 0.00 C ATOM 910 C ALA A 62 11.993 -2.300 -1.993 1.00 0.00 C ATOM 911 O ALA A 62 11.374 -2.655 -0.989 1.00 0.00 O ATOM 912 CB ALA A 62 13.450 -0.240 -1.810 1.00 0.00 C ATOM 0 H ALA A 62 14.712 -1.454 -3.479 1.00 0.00 H new ATOM 0 HA ALA A 62 13.814 -2.178 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.803 0.109 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.468 0.108 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.091 0.155 -2.760 1.00 0.00 H new ATOM 918 N MET A 63 11.484 -2.424 -3.227 1.00 0.00 N ATOM 919 CA MET A 63 10.178 -3.036 -3.499 1.00 0.00 C ATOM 920 C MET A 63 10.132 -4.497 -3.033 1.00 0.00 C ATOM 921 O MET A 63 9.177 -4.908 -2.375 1.00 0.00 O ATOM 922 CB MET A 63 9.853 -2.903 -4.998 1.00 0.00 C ATOM 923 CG MET A 63 8.512 -3.543 -5.376 1.00 0.00 C ATOM 924 SD MET A 63 8.044 -3.330 -7.112 1.00 0.00 S ATOM 925 CE MET A 63 6.582 -4.397 -7.171 1.00 0.00 C ATOM 0 H MET A 63 11.968 -2.102 -4.065 1.00 0.00 H new ATOM 0 HA MET A 63 9.414 -2.507 -2.929 1.00 0.00 H new ATOM 0 HB2 MET A 63 9.835 -1.847 -5.269 1.00 0.00 H new ATOM 0 HB3 MET A 63 10.649 -3.368 -5.580 1.00 0.00 H new ATOM 0 HG2 MET A 63 8.556 -4.609 -5.153 1.00 0.00 H new ATOM 0 HG3 MET A 63 7.730 -3.118 -4.747 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.445 -4.771 -8.186 1.00 0.00 H new ATOM 0 HE2 MET A 63 6.717 -5.237 -6.489 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.703 -3.826 -6.873 1.00 0.00 H new ATOM 935 N GLN A 64 11.171 -5.282 -3.328 1.00 0.00 N ATOM 936 CA GLN A 64 11.197 -6.714 -3.026 1.00 0.00 C ATOM 937 C GLN A 64 11.568 -7.003 -1.563 1.00 0.00 C ATOM 938 O GLN A 64 11.062 -7.962 -0.974 1.00 0.00 O ATOM 939 CB GLN A 64 12.152 -7.427 -3.998 1.00 0.00 C ATOM 940 CG GLN A 64 11.838 -7.192 -5.488 1.00 0.00 C ATOM 941 CD GLN A 64 10.418 -7.561 -5.919 1.00 0.00 C ATOM 942 OE1 GLN A 64 9.745 -8.417 -5.352 1.00 0.00 O ATOM 943 NE2 GLN A 64 9.898 -6.925 -6.944 1.00 0.00 N ATOM 0 H GLN A 64 12.018 -4.942 -3.783 1.00 0.00 H new ATOM 0 HA GLN A 64 10.188 -7.104 -3.162 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.170 -7.094 -3.797 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.122 -8.498 -3.798 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.009 -6.140 -5.718 1.00 0.00 H new ATOM 0 HG3 GLN A 64 12.544 -7.768 -6.087 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.440 -6.210 -7.429 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.952 -7.146 -7.255 1.00 0.00 H new ATOM 952 N ASP A 65 12.421 -6.181 -0.946 1.00 0.00 N ATOM 953 CA ASP A 65 12.754 -6.275 0.484 1.00 0.00 C ATOM 954 C ASP A 65 11.544 -5.915 1.364 1.00 0.00 C ATOM 955 O ASP A 65 11.326 -6.538 2.407 1.00 0.00 O ATOM 956 CB ASP A 65 13.975 -5.386 0.785 1.00 0.00 C ATOM 957 CG ASP A 65 14.740 -5.838 2.033 1.00 0.00 C ATOM 958 OD1 ASP A 65 15.132 -7.031 2.097 1.00 0.00 O ATOM 959 OD2 ASP A 65 14.999 -4.999 2.929 1.00 0.00 O ATOM 0 H ASP A 65 12.906 -5.423 -1.427 1.00 0.00 H new ATOM 0 HA ASP A 65 13.013 -7.306 0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.648 -5.397 -0.073 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.645 -4.356 0.919 1.00 0.00 H new ATOM 964 N ALA A 66 10.705 -4.980 0.896 1.00 0.00 N ATOM 965 CA ALA A 66 9.405 -4.706 1.499 1.00 0.00 C ATOM 966 C ALA A 66 8.436 -5.881 1.294 1.00 0.00 C ATOM 967 O ALA A 66 7.992 -6.479 2.267 1.00 0.00 O ATOM 968 CB ALA A 66 8.850 -3.385 0.953 1.00 0.00 C ATOM 0 H ALA A 66 10.915 -4.395 0.087 1.00 0.00 H new ATOM 0 HA ALA A 66 9.526 -4.597 2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.879 -3.184 1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.538 -2.574 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.738 -3.457 -0.129 1.00 0.00 H new ATOM 974 N ILE A 67 8.120 -6.251 0.049 1.00 0.00 N ATOM 975 CA ILE A 67 7.080 -7.246 -0.281 1.00 0.00 C ATOM 976 C ILE A 67 7.321 -8.638 0.345 1.00 0.00 C ATOM 977 O ILE A 67 6.352 -9.272 0.769 1.00 0.00 O ATOM 978 CB ILE A 67 6.852 -7.281 -1.815 1.00 0.00 C ATOM 979 CG1 ILE A 67 6.143 -5.973 -2.250 1.00 0.00 C ATOM 980 CG2 ILE A 67 6.018 -8.496 -2.261 1.00 0.00 C ATOM 981 CD1 ILE A 67 6.053 -5.779 -3.769 1.00 0.00 C ATOM 0 H ILE A 67 8.583 -5.865 -0.774 1.00 0.00 H new ATOM 0 HA ILE A 67 6.151 -6.921 0.188 1.00 0.00 H new ATOM 0 HB ILE A 67 7.827 -7.369 -2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.136 -5.964 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.674 -5.125 -1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.889 -8.471 -3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.533 -9.414 -1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.041 -8.464 -1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.543 -4.840 -3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.057 -5.753 -4.193 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.495 -6.605 -4.209 1.00 0.00 H new ATOM 993 N GLU A 68 8.563 -9.115 0.496 1.00 0.00 N ATOM 994 CA GLU A 68 8.827 -10.382 1.213 1.00 0.00 C ATOM 995 C GLU A 68 8.678 -10.263 2.748 1.00 0.00 C ATOM 996 O GLU A 68 8.371 -11.260 3.419 1.00 0.00 O ATOM 997 CB GLU A 68 10.210 -10.949 0.842 1.00 0.00 C ATOM 998 CG GLU A 68 10.260 -11.502 -0.594 1.00 0.00 C ATOM 999 CD GLU A 68 11.575 -12.233 -0.907 1.00 0.00 C ATOM 1000 OE1 GLU A 68 12.632 -11.906 -0.313 1.00 0.00 O ATOM 1001 OE2 GLU A 68 11.593 -13.134 -1.784 1.00 0.00 O ATOM 0 H GLU A 68 9.398 -8.652 0.137 1.00 0.00 H new ATOM 0 HA GLU A 68 8.057 -11.080 0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.960 -10.166 0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.472 -11.742 1.542 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.425 -12.186 -0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.130 -10.681 -1.299 1.00 0.00 H new ATOM 1008 N GLY A 69 8.860 -9.066 3.319 1.00 0.00 N ATOM 1009 CA GLY A 69 8.648 -8.773 4.747 1.00 0.00 C ATOM 1010 C GLY A 69 7.229 -8.325 5.126 1.00 0.00 C ATOM 1011 O GLY A 69 6.827 -8.453 6.282 1.00 0.00 O ATOM 0 H GLY A 69 9.167 -8.251 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.895 -9.664 5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.349 -7.994 5.048 1.00 0.00 H new ATOM 1015 N MET A 70 6.471 -7.802 4.161 1.00 0.00 N ATOM 1016 CA MET A 70 5.136 -7.218 4.336 1.00 0.00 C ATOM 1017 C MET A 70 4.034 -8.262 4.484 1.00 0.00 C ATOM 1018 O MET A 70 3.079 -8.036 5.220 1.00 0.00 O ATOM 1019 CB MET A 70 4.822 -6.332 3.113 1.00 0.00 C ATOM 1020 CG MET A 70 5.416 -4.929 3.266 1.00 0.00 C ATOM 1021 SD MET A 70 4.509 -3.907 4.462 1.00 0.00 S ATOM 1022 CE MET A 70 5.717 -2.582 4.719 1.00 0.00 C ATOM 0 H MET A 70 6.784 -7.772 3.191 1.00 0.00 H new ATOM 0 HA MET A 70 5.155 -6.642 5.261 1.00 0.00 H new ATOM 0 HB2 MET A 70 5.220 -6.800 2.212 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.742 -6.258 2.984 1.00 0.00 H new ATOM 0 HG2 MET A 70 6.456 -5.012 3.581 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.416 -4.432 2.296 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.194 -1.644 4.905 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.345 -2.823 5.577 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.340 -2.480 3.830 1.00 0.00 H new ATOM 1032 N ASN A 71 4.121 -9.381 3.761 1.00 0.00 N ATOM 1033 CA ASN A 71 2.958 -10.239 3.551 1.00 0.00 C ATOM 1034 C ASN A 71 2.507 -10.949 4.843 1.00 0.00 C ATOM 1035 O ASN A 71 3.173 -11.857 5.354 1.00 0.00 O ATOM 1036 CB ASN A 71 3.240 -11.189 2.374 1.00 0.00 C ATOM 1037 CG ASN A 71 2.012 -11.483 1.531 1.00 0.00 C ATOM 1038 OD1 ASN A 71 0.974 -10.840 1.634 1.00 0.00 O ATOM 1039 ND2 ASN A 71 2.099 -12.454 0.660 1.00 0.00 N ATOM 0 H ASN A 71 4.978 -9.710 3.316 1.00 0.00 H new ATOM 0 HA ASN A 71 2.099 -9.626 3.280 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.011 -10.751 1.740 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.639 -12.127 2.761 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.302 -12.678 0.064 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.964 -12.988 0.576 1.00 0.00 H new ATOM 1046 N GLY A 72 1.383 -10.493 5.391 1.00 0.00 N ATOM 1047 CA GLY A 72 0.821 -10.933 6.668 1.00 0.00 C ATOM 1048 C GLY A 72 1.324 -10.173 7.906 1.00 0.00 C ATOM 1049 O GLY A 72 0.994 -10.589 9.021 1.00 0.00 O ATOM 0 H GLY A 72 0.814 -9.777 4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.264 -10.838 6.620 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.043 -11.992 6.798 1.00 0.00 H new ATOM 1053 N LYS A 73 2.098 -9.083 7.757 1.00 0.00 N ATOM 1054 CA LYS A 73 2.541 -8.228 8.879 1.00 0.00 C ATOM 1055 C LYS A 73 1.364 -7.466 9.497 1.00 0.00 C ATOM 1056 O LYS A 73 0.390 -7.175 8.807 1.00 0.00 O ATOM 1057 CB LYS A 73 3.645 -7.243 8.420 1.00 0.00 C ATOM 1058 CG LYS A 73 4.505 -6.743 9.595 1.00 0.00 C ATOM 1059 CD LYS A 73 5.485 -5.633 9.192 1.00 0.00 C ATOM 1060 CE LYS A 73 6.165 -5.047 10.439 1.00 0.00 C ATOM 1061 NZ LYS A 73 5.317 -4.052 11.143 1.00 0.00 N ATOM 0 H LYS A 73 2.437 -8.766 6.849 1.00 0.00 H new ATOM 0 HA LYS A 73 2.959 -8.881 9.646 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.285 -7.734 7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.184 -6.391 7.921 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.851 -6.373 10.385 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.065 -7.581 10.011 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.238 -6.032 8.512 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.954 -4.847 8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.414 -5.856 11.126 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.104 -4.576 10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.723 -3.102 11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.356 -4.071 10.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.277 -4.285 12.156 1.00 0.00 H new ATOM 1075 N GLU A 74 1.466 -7.077 10.765 1.00 0.00 N ATOM 1076 CA GLU A 74 0.670 -5.955 11.278 1.00 0.00 C ATOM 1077 C GLU A 74 1.192 -4.600 10.753 1.00 0.00 C ATOM 1078 O GLU A 74 2.384 -4.301 10.848 1.00 0.00 O ATOM 1079 CB GLU A 74 0.513 -6.005 12.810 1.00 0.00 C ATOM 1080 CG GLU A 74 1.795 -6.043 13.659 1.00 0.00 C ATOM 1081 CD GLU A 74 2.458 -4.678 13.869 1.00 0.00 C ATOM 1082 OE1 GLU A 74 1.839 -3.774 14.484 1.00 0.00 O ATOM 1083 OE2 GLU A 74 3.639 -4.510 13.479 1.00 0.00 O ATOM 0 H GLU A 74 2.082 -7.512 11.452 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.340 -6.060 10.882 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.066 -5.134 13.116 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.080 -6.886 13.058 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.558 -6.472 14.633 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.512 -6.712 13.182 1.00 0.00 H new ATOM 1090 N LEU A 75 0.285 -3.784 10.213 1.00 0.00 N ATOM 1091 CA LEU A 75 0.483 -2.385 9.820 1.00 0.00 C ATOM 1092 C LEU A 75 -0.778 -1.604 10.234 1.00 0.00 C ATOM 1093 O LEU A 75 -1.888 -2.032 9.931 1.00 0.00 O ATOM 1094 CB LEU A 75 0.730 -2.289 8.294 1.00 0.00 C ATOM 1095 CG LEU A 75 1.984 -1.475 7.924 1.00 0.00 C ATOM 1096 CD1 LEU A 75 3.242 -2.343 7.972 1.00 0.00 C ATOM 1097 CD2 LEU A 75 1.887 -0.922 6.502 1.00 0.00 C ATOM 0 H LEU A 75 -0.667 -4.101 10.026 1.00 0.00 H new ATOM 0 HA LEU A 75 1.358 -1.961 10.314 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.826 -3.295 7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.141 -1.835 7.821 1.00 0.00 H new ATOM 0 HG LEU A 75 2.045 -0.665 8.651 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.110 -1.740 7.706 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.371 -2.741 8.978 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.142 -3.167 7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.787 -0.352 6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.789 -1.747 5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.016 -0.272 6.423 1.00 0.00 H new ATOM 1109 N ASP A 76 -0.638 -0.500 10.969 1.00 0.00 N ATOM 1110 CA ASP A 76 -1.753 0.155 11.692 1.00 0.00 C ATOM 1111 C ASP A 76 -2.519 -0.792 12.658 1.00 0.00 C ATOM 1112 O ASP A 76 -3.677 -0.562 13.020 1.00 0.00 O ATOM 1113 CB ASP A 76 -2.662 0.922 10.702 1.00 0.00 C ATOM 1114 CG ASP A 76 -3.426 2.071 11.370 1.00 0.00 C ATOM 1115 OD1 ASP A 76 -2.777 2.875 12.084 1.00 0.00 O ATOM 1116 OD2 ASP A 76 -4.654 2.224 11.154 1.00 0.00 O ATOM 0 H ASP A 76 0.256 -0.023 11.087 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.318 0.894 12.365 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.054 1.319 9.890 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.374 0.228 10.257 1.00 0.00 H new ATOM 1121 N GLY A 77 -1.859 -1.879 13.077 1.00 0.00 N ATOM 1122 CA GLY A 77 -2.405 -2.997 13.857 1.00 0.00 C ATOM 1123 C GLY A 77 -3.222 -4.024 13.060 1.00 0.00 C ATOM 1124 O GLY A 77 -3.648 -5.039 13.618 1.00 0.00 O ATOM 0 H GLY A 77 -0.869 -2.009 12.868 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.579 -3.515 14.344 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.036 -2.591 14.647 1.00 0.00 H new ATOM 1128 N ARG A 78 -3.419 -3.774 11.758 1.00 0.00 N ATOM 1129 CA ARG A 78 -4.211 -4.569 10.807 1.00 0.00 C ATOM 1130 C ARG A 78 -3.305 -5.489 9.986 1.00 0.00 C ATOM 1131 O ARG A 78 -2.184 -5.116 9.652 1.00 0.00 O ATOM 1132 CB ARG A 78 -4.984 -3.603 9.890 1.00 0.00 C ATOM 1133 CG ARG A 78 -6.043 -2.767 10.633 1.00 0.00 C ATOM 1134 CD ARG A 78 -7.411 -3.454 10.635 1.00 0.00 C ATOM 1135 NE ARG A 78 -8.179 -3.107 9.427 1.00 0.00 N ATOM 1136 CZ ARG A 78 -9.485 -3.225 9.277 1.00 0.00 C ATOM 1137 NH1 ARG A 78 -10.213 -3.925 10.095 1.00 0.00 N ATOM 1138 NH2 ARG A 78 -10.088 -2.626 8.295 1.00 0.00 N ATOM 0 H ARG A 78 -3.002 -2.957 11.311 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.913 -5.202 11.349 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.277 -2.931 9.405 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.472 -4.175 9.101 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.719 -2.600 11.660 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.129 -1.788 10.162 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.279 -4.535 10.688 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.969 -3.157 11.523 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.653 -2.742 8.633 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.777 -4.405 10.883 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.220 -3.995 9.949 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.552 -2.062 7.636 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.097 -2.720 8.183 1.00 0.00 H new ATOM 1152 N SER A 79 -3.787 -6.676 9.627 1.00 0.00 N ATOM 1153 CA SER A 79 -3.011 -7.655 8.859 1.00 0.00 C ATOM 1154 C SER A 79 -2.945 -7.235 7.391 1.00 0.00 C ATOM 1155 O SER A 79 -3.993 -7.129 6.744 1.00 0.00 O ATOM 1156 CB SER A 79 -3.619 -9.054 9.009 1.00 0.00 C ATOM 1157 OG SER A 79 -2.656 -10.031 8.668 1.00 0.00 O ATOM 0 H SER A 79 -4.729 -6.990 9.860 1.00 0.00 H new ATOM 0 HA SER A 79 -1.994 -7.689 9.250 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.958 -9.206 10.034 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.494 -9.152 8.366 1.00 0.00 H new ATOM 0 HG SER A 79 -3.047 -10.924 8.767 1.00 0.00 H new ATOM 1163 N ILE A 80 -1.744 -6.964 6.868 1.00 0.00 N ATOM 1164 CA ILE A 80 -1.535 -6.447 5.507 1.00 0.00 C ATOM 1165 C ILE A 80 -1.186 -7.544 4.498 1.00 0.00 C ATOM 1166 O ILE A 80 -0.491 -8.506 4.820 1.00 0.00 O ATOM 1167 CB ILE A 80 -0.547 -5.258 5.506 1.00 0.00 C ATOM 1168 CG1 ILE A 80 -0.718 -4.404 4.229 1.00 0.00 C ATOM 1169 CG2 ILE A 80 0.917 -5.697 5.667 1.00 0.00 C ATOM 1170 CD1 ILE A 80 0.011 -3.062 4.313 1.00 0.00 C ATOM 0 H ILE A 80 -0.875 -7.099 7.385 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.489 -6.053 5.157 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.792 -4.651 6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.344 -4.963 3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.779 -4.226 4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.563 -4.819 5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.036 -6.227 6.612 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.192 -6.357 4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.144 -2.505 3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.380 -2.488 5.153 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.077 -3.236 4.457 1.00 0.00 H new ATOM 1182 N VAL A 81 -1.641 -7.383 3.255 1.00 0.00 N ATOM 1183 CA VAL A 81 -1.377 -8.306 2.138 1.00 0.00 C ATOM 1184 C VAL A 81 -0.833 -7.511 0.961 1.00 0.00 C ATOM 1185 O VAL A 81 -1.338 -6.425 0.657 1.00 0.00 O ATOM 1186 CB VAL A 81 -2.638 -9.112 1.761 1.00 0.00 C ATOM 1187 CG1 VAL A 81 -2.472 -9.923 0.469 1.00 0.00 C ATOM 1188 CG2 VAL A 81 -2.970 -10.110 2.875 1.00 0.00 C ATOM 0 H VAL A 81 -2.219 -6.587 2.985 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.630 -9.039 2.442 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.430 -8.377 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.393 -10.467 0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.253 -9.248 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.652 -10.631 0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.861 -10.676 2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.133 -10.795 3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.153 -9.570 3.804 1.00 0.00 H new ATOM 1198 N VAL A 82 0.201 -8.046 0.308 1.00 0.00 N ATOM 1199 CA VAL A 82 0.965 -7.354 -0.741 1.00 0.00 C ATOM 1200 C VAL A 82 0.966 -8.133 -2.062 1.00 0.00 C ATOM 1201 O VAL A 82 1.290 -9.323 -2.084 1.00 0.00 O ATOM 1202 CB VAL A 82 2.394 -7.024 -0.288 1.00 0.00 C ATOM 1203 CG1 VAL A 82 2.345 -5.848 0.692 1.00 0.00 C ATOM 1204 CG2 VAL A 82 3.124 -8.194 0.377 1.00 0.00 C ATOM 0 H VAL A 82 0.540 -8.990 0.495 1.00 0.00 H new ATOM 0 HA VAL A 82 0.455 -6.408 -0.923 1.00 0.00 H new ATOM 0 HB VAL A 82 2.956 -6.780 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.356 -5.605 1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.906 -4.981 0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.738 -6.119 1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.126 -7.879 0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.572 -8.511 1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.194 -9.025 -0.325 1.00 0.00 H new ATOM 1214 N ASN A 83 0.644 -7.466 -3.173 1.00 0.00 N ATOM 1215 CA ASN A 83 0.672 -8.055 -4.519 1.00 0.00 C ATOM 1216 C ASN A 83 0.945 -7.011 -5.613 1.00 0.00 C ATOM 1217 O ASN A 83 0.561 -5.852 -5.500 1.00 0.00 O ATOM 1218 CB ASN A 83 -0.617 -8.853 -4.817 1.00 0.00 C ATOM 1219 CG ASN A 83 -1.910 -8.093 -4.552 1.00 0.00 C ATOM 1220 OD1 ASN A 83 -2.317 -7.877 -3.415 1.00 0.00 O ATOM 1221 ND2 ASN A 83 -2.620 -7.673 -5.570 1.00 0.00 N ATOM 0 H ASN A 83 0.352 -6.489 -3.166 1.00 0.00 H new ATOM 0 HA ASN A 83 1.509 -8.753 -4.533 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -0.602 -9.165 -5.861 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.614 -9.761 -4.213 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.496 -7.175 -5.410 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.297 -7.844 -6.522 1.00 0.00 H new ATOM 1228 N GLU A 84 1.601 -7.434 -6.687 1.00 0.00 N ATOM 1229 CA GLU A 84 2.024 -6.597 -7.817 1.00 0.00 C ATOM 1230 C GLU A 84 0.859 -5.888 -8.533 1.00 0.00 C ATOM 1231 O GLU A 84 -0.221 -6.458 -8.701 1.00 0.00 O ATOM 1232 CB GLU A 84 2.827 -7.468 -8.803 1.00 0.00 C ATOM 1233 CG GLU A 84 2.016 -8.599 -9.479 1.00 0.00 C ATOM 1234 CD GLU A 84 1.325 -8.215 -10.803 1.00 0.00 C ATOM 1235 OE1 GLU A 84 1.693 -7.206 -11.451 1.00 0.00 O ATOM 1236 OE2 GLU A 84 0.439 -8.979 -11.259 1.00 0.00 O ATOM 0 H GLU A 84 1.867 -8.412 -6.805 1.00 0.00 H new ATOM 0 HA GLU A 84 2.646 -5.795 -7.419 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.243 -6.825 -9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.669 -7.912 -8.272 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.684 -9.440 -9.668 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.256 -8.947 -8.779 1.00 0.00 H new ATOM 1243 N ALA A 85 1.087 -4.645 -8.975 1.00 0.00 N ATOM 1244 CA ALA A 85 0.114 -3.864 -9.747 1.00 0.00 C ATOM 1245 C ALA A 85 0.520 -3.644 -11.218 1.00 0.00 C ATOM 1246 O ALA A 85 -0.272 -3.110 -11.993 1.00 0.00 O ATOM 1247 CB ALA A 85 -0.140 -2.539 -9.018 1.00 0.00 C ATOM 0 H ALA A 85 1.962 -4.149 -8.805 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.810 -4.440 -9.805 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.862 -1.947 -9.580 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.534 -2.741 -8.022 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.795 -1.986 -8.933 1.00 0.00 H new