USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 417 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 70:sc= -3.98! USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.707 X(o=-0.71,f=-0.9) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 30:sc= -0.67 USER MOD Single : A 35 HIS : no HD1:sc= -1.46 X(o=-1.5,f=-1.2) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 174:sc= -0.799 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.37 K(o=-1.4,f=-3.3!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0123 K(o=-0.012,f=-1.1) USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= 1.38 (180deg=-0.319) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 -4.496 16.406 -1.326 1.00 0.00 N ATOM 89 CA VAL A 9 -4.811 16.575 -2.740 1.00 0.00 C ATOM 90 C VAL A 9 -5.276 15.262 -3.360 1.00 0.00 C ATOM 91 O VAL A 9 -4.633 14.225 -3.197 1.00 0.00 O ATOM 92 CB VAL A 9 -3.596 17.100 -3.527 1.00 0.00 C ATOM 93 CG1 VAL A 9 -2.402 16.176 -3.345 1.00 0.00 C ATOM 94 CG2 VAL A 9 -3.941 17.254 -5.000 1.00 0.00 C ATOM 0 HA VAL A 9 -5.616 17.307 -2.800 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.329 18.082 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.553 16.563 -3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.142 16.122 -2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.654 15.180 -3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.071 17.626 -5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.235 16.287 -5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.765 17.960 -5.109 1.00 0.00 H new ATOM 104 N TRP A 10 -6.395 15.315 -4.073 1.00 0.00 N ATOM 105 CA TRP A 10 -6.946 14.129 -4.719 1.00 0.00 C ATOM 106 C TRP A 10 -6.431 13.999 -6.148 1.00 0.00 C ATOM 107 O TRP A 10 -5.829 14.927 -6.689 1.00 0.00 O ATOM 108 CB TRP A 10 -8.475 14.186 -4.718 1.00 0.00 C ATOM 109 CG TRP A 10 -9.073 14.065 -3.349 1.00 0.00 C ATOM 110 CD1 TRP A 10 -9.689 15.052 -2.633 1.00 0.00 C ATOM 111 CD2 TRP A 10 -9.110 12.890 -2.531 1.00 0.00 C ATOM 112 NE1 TRP A 10 -10.106 14.561 -1.419 1.00 0.00 N ATOM 113 CE2 TRP A 10 -9.764 13.238 -1.333 1.00 0.00 C ATOM 114 CE3 TRP A 10 -8.656 11.579 -2.695 1.00 0.00 C ATOM 115 CZ2 TRP A 10 -9.973 12.321 -0.306 1.00 0.00 C ATOM 116 CZ3 TRP A 10 -8.864 10.670 -1.675 1.00 0.00 C ATOM 117 CH2 TRP A 10 -9.518 11.044 -0.493 1.00 0.00 C ATOM 0 H TRP A 10 -6.938 16.166 -4.219 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.622 13.255 -4.155 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -8.797 15.126 -5.165 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -8.862 13.385 -5.348 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.828 16.068 -2.971 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -10.592 15.096 -0.699 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.152 11.281 -3.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.476 12.607 0.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.517 9.654 -1.791 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -9.666 10.310 0.285 1.00 0.00 H new ATOM 128 N LYS A 11 -6.672 12.842 -6.756 1.00 0.00 N ATOM 129 CA LYS A 11 -6.233 12.590 -8.123 1.00 0.00 C ATOM 130 C LYS A 11 -7.153 11.588 -8.814 1.00 0.00 C ATOM 131 O LYS A 11 -7.793 10.753 -8.173 1.00 0.00 O ATOM 132 CB LYS A 11 -4.795 12.069 -8.132 1.00 0.00 C ATOM 133 CG LYS A 11 -4.591 10.832 -7.275 1.00 0.00 C ATOM 134 CD LYS A 11 -3.233 10.197 -7.526 1.00 0.00 C ATOM 135 CE LYS A 11 -2.166 10.785 -6.615 1.00 0.00 C ATOM 136 NZ LYS A 11 -0.802 10.640 -7.194 1.00 0.00 N ATOM 0 H LYS A 11 -7.169 12.064 -6.323 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.274 13.532 -8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.506 11.841 -9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.129 12.858 -7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.680 11.099 -6.222 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.377 10.108 -7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.298 9.121 -7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.947 10.347 -8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.377 11.840 -6.442 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.203 10.290 -5.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.103 11.053 -6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.590 9.632 -7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.759 11.134 -8.108 1.00 0.00 H new ATOM 150 N PRO A 12 -7.220 11.668 -10.151 1.00 0.00 N ATOM 151 CA PRO A 12 -8.056 10.773 -10.956 1.00 0.00 C ATOM 152 C PRO A 12 -7.529 9.343 -10.971 1.00 0.00 C ATOM 153 O PRO A 12 -6.525 9.048 -11.618 1.00 0.00 O ATOM 154 CB PRO A 12 -7.982 11.385 -12.358 1.00 0.00 C ATOM 155 CG PRO A 12 -6.691 12.128 -12.379 1.00 0.00 C ATOM 156 CD PRO A 12 -6.484 12.638 -10.979 1.00 0.00 C ATOM 0 HA PRO A 12 -9.069 10.697 -10.561 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.008 10.614 -13.128 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.825 12.050 -12.545 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.871 11.477 -12.682 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.726 12.951 -13.093 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.427 12.671 -10.715 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.875 13.648 -10.857 1.00 0.00 H new ATOM 164 N GLY A 13 -8.212 8.457 -10.252 1.00 0.00 N ATOM 165 CA GLY A 13 -7.797 7.068 -10.197 1.00 0.00 C ATOM 166 C GLY A 13 -7.500 6.607 -8.784 1.00 0.00 C ATOM 167 O GLY A 13 -6.764 5.642 -8.580 1.00 0.00 O ATOM 0 H GLY A 13 -9.045 8.677 -9.707 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.580 6.441 -10.623 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.909 6.933 -10.814 1.00 0.00 H new ATOM 171 N ASP A 14 -8.072 7.300 -7.805 1.00 0.00 N ATOM 172 CA ASP A 14 -7.864 6.957 -6.403 1.00 0.00 C ATOM 173 C ASP A 14 -9.190 6.637 -5.720 1.00 0.00 C ATOM 174 O ASP A 14 -10.096 7.470 -5.682 1.00 0.00 O ATOM 175 CB ASP A 14 -7.164 8.105 -5.674 1.00 0.00 C ATOM 176 CG ASP A 14 -5.654 7.985 -5.721 1.00 0.00 C ATOM 177 OD1 ASP A 14 -5.117 7.675 -6.805 1.00 0.00 O ATOM 178 OD2 ASP A 14 -5.008 8.199 -4.673 1.00 0.00 O ATOM 0 H ASP A 14 -8.683 8.102 -7.957 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.231 6.071 -6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.464 9.052 -6.121 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.492 8.125 -4.635 1.00 0.00 H new ATOM 183 N GLU A 15 -9.296 5.426 -5.182 1.00 0.00 N ATOM 184 CA GLU A 15 -10.513 4.997 -4.502 1.00 0.00 C ATOM 185 C GLU A 15 -10.723 5.786 -3.213 1.00 0.00 C ATOM 186 O GLU A 15 -9.832 5.860 -2.366 1.00 0.00 O ATOM 187 CB GLU A 15 -10.449 3.500 -4.192 1.00 0.00 C ATOM 188 CG GLU A 15 -9.277 3.111 -3.305 1.00 0.00 C ATOM 189 CD GLU A 15 -8.896 1.651 -3.449 1.00 0.00 C ATOM 190 OE1 GLU A 15 -8.064 1.339 -4.327 1.00 0.00 O ATOM 191 OE2 GLU A 15 -9.429 0.820 -2.684 1.00 0.00 O ATOM 0 H GLU A 15 -8.555 4.725 -5.204 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.356 5.188 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.377 3.198 -3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.384 2.946 -5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.417 3.733 -3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.530 3.316 -2.265 1.00 0.00 H new ATOM 198 N CYS A 16 -11.906 6.373 -3.072 1.00 0.00 N ATOM 199 CA CYS A 16 -12.234 7.158 -1.888 1.00 0.00 C ATOM 200 C CYS A 16 -13.726 7.084 -1.582 1.00 0.00 C ATOM 201 O CYS A 16 -14.519 6.637 -2.411 1.00 0.00 O ATOM 202 CB CYS A 16 -11.813 8.615 -2.083 1.00 0.00 C ATOM 203 SG CYS A 16 -12.476 9.380 -3.581 1.00 0.00 S ATOM 0 H CYS A 16 -12.654 6.320 -3.763 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.687 6.740 -1.043 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.136 9.194 -1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.725 8.667 -2.112 1.00 0.00 H new ATOM 0 HG CYS A 16 -13.758 9.550 -3.450 1.00 0.00 H new ATOM 209 N PHE A 17 -14.102 7.522 -0.385 1.00 0.00 N ATOM 210 CA PHE A 17 -15.499 7.503 0.032 1.00 0.00 C ATOM 211 C PHE A 17 -16.137 8.879 -0.140 1.00 0.00 C ATOM 212 O PHE A 17 -15.748 9.842 0.520 1.00 0.00 O ATOM 213 CB PHE A 17 -15.612 7.054 1.490 1.00 0.00 C ATOM 214 CG PHE A 17 -15.677 5.563 1.655 1.00 0.00 C ATOM 215 CD1 PHE A 17 -14.516 4.807 1.702 1.00 0.00 C ATOM 216 CD2 PHE A 17 -16.898 4.917 1.763 1.00 0.00 C ATOM 217 CE1 PHE A 17 -14.573 3.434 1.853 1.00 0.00 C ATOM 218 CE2 PHE A 17 -16.961 3.544 1.915 1.00 0.00 C ATOM 219 CZ PHE A 17 -15.797 2.802 1.960 1.00 0.00 C ATOM 0 H PHE A 17 -13.459 7.894 0.313 1.00 0.00 H new ATOM 0 HA PHE A 17 -16.032 6.794 -0.601 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.756 7.436 2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.504 7.499 1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -13.557 5.296 1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -17.811 5.493 1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.661 2.856 1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -17.919 3.053 1.998 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.843 1.730 2.079 1.00 0.00 H new ATOM 229 N ALA A 18 -17.119 8.962 -1.031 1.00 0.00 N ATOM 230 CA ALA A 18 -17.812 10.219 -1.289 1.00 0.00 C ATOM 231 C ALA A 18 -19.256 10.159 -0.803 1.00 0.00 C ATOM 232 O ALA A 18 -20.039 9.322 -1.253 1.00 0.00 O ATOM 233 CB ALA A 18 -17.766 10.552 -2.773 1.00 0.00 C ATOM 0 H ALA A 18 -17.453 8.174 -1.586 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.302 11.007 -0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.287 11.493 -2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.728 10.646 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.250 9.756 -3.340 1.00 0.00 H new ATOM 239 N LEU A 19 -19.602 11.050 0.119 1.00 0.00 N ATOM 240 CA LEU A 19 -20.953 11.099 0.667 1.00 0.00 C ATOM 241 C LEU A 19 -21.986 11.258 -0.443 1.00 0.00 C ATOM 242 O LEU A 19 -21.824 12.084 -1.342 1.00 0.00 O ATOM 243 CB LEU A 19 -21.079 12.251 1.666 1.00 0.00 C ATOM 244 CG LEU A 19 -22.050 12.031 2.826 1.00 0.00 C ATOM 245 CD1 LEU A 19 -21.463 11.059 3.837 1.00 0.00 C ATOM 246 CD2 LEU A 19 -22.393 13.355 3.493 1.00 0.00 C ATOM 0 H LEU A 19 -18.966 11.749 0.503 1.00 0.00 H new ATOM 0 HA LEU A 19 -21.143 10.157 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -20.092 12.457 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.389 13.144 1.123 1.00 0.00 H new ATOM 0 HG LEU A 19 -22.968 11.599 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -22.168 10.915 4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.270 10.102 3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -20.529 11.462 4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -23.085 13.179 4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -21.483 13.816 3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -22.857 14.020 2.765 1.00 0.00 H new ATOM 258 N TYR A 20 -23.049 10.465 -0.374 1.00 0.00 N ATOM 259 CA TYR A 20 -24.110 10.518 -1.374 1.00 0.00 C ATOM 260 C TYR A 20 -24.885 11.828 -1.276 1.00 0.00 C ATOM 261 O TYR A 20 -24.720 12.591 -0.324 1.00 0.00 O ATOM 262 CB TYR A 20 -25.062 9.334 -1.200 1.00 0.00 C ATOM 263 CG TYR A 20 -25.732 8.902 -2.486 1.00 0.00 C ATOM 264 CD1 TYR A 20 -25.002 8.764 -3.660 1.00 0.00 C ATOM 265 CD2 TYR A 20 -27.094 8.632 -2.525 1.00 0.00 C ATOM 266 CE1 TYR A 20 -25.610 8.371 -4.836 1.00 0.00 C ATOM 267 CE2 TYR A 20 -27.710 8.236 -3.697 1.00 0.00 C ATOM 268 CZ TYR A 20 -26.964 8.108 -4.850 1.00 0.00 C ATOM 269 OH TYR A 20 -27.572 7.714 -6.020 1.00 0.00 O ATOM 0 H TYR A 20 -23.200 9.777 0.364 1.00 0.00 H new ATOM 0 HA TYR A 20 -23.649 10.463 -2.360 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.508 8.491 -0.787 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -25.829 9.599 -0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -23.941 8.967 -3.653 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -27.681 8.733 -1.624 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -25.028 8.270 -5.740 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.770 8.028 -3.710 1.00 0.00 H new ATOM 0 HH TYR A 20 -28.528 7.568 -5.859 1.00 0.00 H new ATOM 279 N TRP A 21 -25.732 12.081 -2.267 1.00 0.00 N ATOM 280 CA TRP A 21 -26.535 13.299 -2.294 1.00 0.00 C ATOM 281 C TRP A 21 -28.004 12.988 -2.029 1.00 0.00 C ATOM 282 O TRP A 21 -28.848 13.883 -2.041 1.00 0.00 O ATOM 283 CB TRP A 21 -26.385 14.003 -3.643 1.00 0.00 C ATOM 284 CG TRP A 21 -26.976 13.233 -4.785 1.00 0.00 C ATOM 285 CD1 TRP A 21 -26.331 12.342 -5.594 1.00 0.00 C ATOM 286 CD2 TRP A 21 -28.331 13.287 -5.244 1.00 0.00 C ATOM 287 NE1 TRP A 21 -27.203 11.839 -6.529 1.00 0.00 N ATOM 288 CE2 TRP A 21 -28.436 12.402 -6.336 1.00 0.00 C ATOM 289 CE3 TRP A 21 -29.466 13.995 -4.840 1.00 0.00 C ATOM 290 CZ2 TRP A 21 -29.630 12.210 -7.025 1.00 0.00 C ATOM 291 CZ3 TRP A 21 -30.650 13.803 -5.525 1.00 0.00 C ATOM 292 CH2 TRP A 21 -30.726 12.916 -6.607 1.00 0.00 C ATOM 0 H TRP A 21 -25.881 11.460 -3.062 1.00 0.00 H new ATOM 0 HA TRP A 21 -26.175 13.960 -1.505 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -26.862 14.982 -3.589 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -25.327 14.175 -3.839 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -25.289 12.072 -5.511 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -26.970 11.157 -7.250 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -29.418 14.680 -4.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -29.690 11.528 -7.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -31.533 14.346 -5.221 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -31.667 12.787 -7.121 1.00 0.00 H new ATOM 303 N GLU A 22 -28.302 11.714 -1.791 1.00 0.00 N ATOM 304 CA GLU A 22 -29.670 11.287 -1.525 1.00 0.00 C ATOM 305 C GLU A 22 -29.764 10.566 -0.183 1.00 0.00 C ATOM 306 O GLU A 22 -30.857 10.287 0.309 1.00 0.00 O ATOM 307 CB GLU A 22 -30.170 10.371 -2.644 1.00 0.00 C ATOM 308 CG GLU A 22 -30.866 11.114 -3.773 1.00 0.00 C ATOM 309 CD GLU A 22 -32.359 11.253 -3.546 1.00 0.00 C ATOM 310 OE1 GLU A 22 -32.749 11.901 -2.553 1.00 0.00 O ATOM 311 OE2 GLU A 22 -33.136 10.714 -4.361 1.00 0.00 O ATOM 0 H GLU A 22 -27.614 10.961 -1.777 1.00 0.00 H new ATOM 0 HA GLU A 22 -30.299 12.176 -1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -29.326 9.815 -3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -30.859 9.639 -2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -30.424 12.105 -3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -30.692 10.587 -4.711 1.00 0.00 H new ATOM 318 N ASP A 23 -28.609 10.266 0.402 1.00 0.00 N ATOM 319 CA ASP A 23 -28.559 9.578 1.687 1.00 0.00 C ATOM 320 C ASP A 23 -27.632 10.304 2.657 1.00 0.00 C ATOM 321 O ASP A 23 -27.868 10.317 3.864 1.00 0.00 O ATOM 322 CB ASP A 23 -28.091 8.134 1.498 1.00 0.00 C ATOM 323 CG ASP A 23 -28.541 7.227 2.627 1.00 0.00 C ATOM 324 OD1 ASP A 23 -27.848 7.184 3.665 1.00 0.00 O ATOM 325 OD2 ASP A 23 -29.586 6.562 2.472 1.00 0.00 O ATOM 0 H ASP A 23 -27.695 10.488 0.007 1.00 0.00 H new ATOM 0 HA ASP A 23 -29.564 9.574 2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -28.476 7.751 0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -27.003 8.113 1.431 1.00 0.00 H new ATOM 330 N ASN A 24 -26.576 10.906 2.119 1.00 0.00 N ATOM 331 CA ASN A 24 -25.612 11.632 2.937 1.00 0.00 C ATOM 332 C ASN A 24 -24.710 10.668 3.701 1.00 0.00 C ATOM 333 O ASN A 24 -24.198 10.994 4.772 1.00 0.00 O ATOM 334 CB ASN A 24 -26.338 12.555 3.919 1.00 0.00 C ATOM 335 CG ASN A 24 -27.511 13.272 3.279 1.00 0.00 C ATOM 336 OD1 ASN A 24 -28.665 13.046 3.644 1.00 0.00 O ATOM 337 ND2 ASN A 24 -27.220 14.142 2.318 1.00 0.00 N ATOM 0 H ASN A 24 -26.367 10.905 1.121 1.00 0.00 H new ATOM 0 HA ASN A 24 -24.991 12.234 2.273 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -26.692 11.971 4.768 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.635 13.291 4.309 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -27.968 14.654 1.850 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -26.249 14.298 2.048 1.00 0.00 H new ATOM 344 N LYS A 25 -24.519 9.477 3.143 1.00 0.00 N ATOM 345 CA LYS A 25 -23.678 8.464 3.768 1.00 0.00 C ATOM 346 C LYS A 25 -22.424 8.209 2.937 1.00 0.00 C ATOM 347 O LYS A 25 -22.419 8.417 1.724 1.00 0.00 O ATOM 348 CB LYS A 25 -24.460 7.161 3.945 1.00 0.00 C ATOM 349 CG LYS A 25 -25.244 7.093 5.244 1.00 0.00 C ATOM 350 CD LYS A 25 -24.414 6.492 6.366 1.00 0.00 C ATOM 351 CE LYS A 25 -24.290 4.983 6.220 1.00 0.00 C ATOM 352 NZ LYS A 25 -25.441 4.269 6.839 1.00 0.00 N ATOM 0 H LYS A 25 -24.936 9.190 2.258 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.374 8.834 4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -25.149 7.044 3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -23.765 6.322 3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -25.569 8.094 5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -26.144 6.496 5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.421 6.941 6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -24.872 6.729 7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -24.228 4.724 5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -23.363 4.648 6.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -25.319 3.243 6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -25.485 4.495 7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -26.324 4.569 6.379 1.00 0.00 H new ATOM 366 N PHE A 26 -21.364 7.755 3.598 1.00 0.00 N ATOM 367 CA PHE A 26 -20.105 7.470 2.920 1.00 0.00 C ATOM 368 C PHE A 26 -20.151 6.107 2.237 1.00 0.00 C ATOM 369 O PHE A 26 -20.357 5.081 2.886 1.00 0.00 O ATOM 370 CB PHE A 26 -18.944 7.515 3.915 1.00 0.00 C ATOM 371 CG PHE A 26 -18.725 8.873 4.520 1.00 0.00 C ATOM 372 CD1 PHE A 26 -18.175 9.900 3.770 1.00 0.00 C ATOM 373 CD2 PHE A 26 -19.070 9.121 5.839 1.00 0.00 C ATOM 374 CE1 PHE A 26 -17.972 11.149 4.325 1.00 0.00 C ATOM 375 CE2 PHE A 26 -18.870 10.369 6.399 1.00 0.00 C ATOM 376 CZ PHE A 26 -18.321 11.385 5.640 1.00 0.00 C ATOM 0 H PHE A 26 -21.352 7.577 4.602 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.951 8.234 2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -19.132 6.797 4.713 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.031 7.199 3.410 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.902 9.722 2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -19.500 8.330 6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.540 11.941 3.730 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -19.142 10.550 7.428 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.165 12.361 6.074 1.00 0.00 H new ATOM 386 N TYR A 27 -19.960 6.104 0.922 1.00 0.00 N ATOM 387 CA TYR A 27 -19.982 4.867 0.149 1.00 0.00 C ATOM 388 C TYR A 27 -18.761 4.771 -0.760 1.00 0.00 C ATOM 389 O TYR A 27 -18.288 5.775 -1.291 1.00 0.00 O ATOM 390 CB TYR A 27 -21.261 4.787 -0.686 1.00 0.00 C ATOM 391 CG TYR A 27 -22.527 4.872 0.136 1.00 0.00 C ATOM 392 CD1 TYR A 27 -22.758 3.994 1.188 1.00 0.00 C ATOM 393 CD2 TYR A 27 -23.493 5.833 -0.138 1.00 0.00 C ATOM 394 CE1 TYR A 27 -23.913 4.068 1.940 1.00 0.00 C ATOM 395 CE2 TYR A 27 -24.652 5.915 0.610 1.00 0.00 C ATOM 396 CZ TYR A 27 -24.857 5.030 1.648 1.00 0.00 C ATOM 397 OH TYR A 27 -26.009 5.108 2.397 1.00 0.00 O ATOM 0 H TYR A 27 -19.788 6.944 0.369 1.00 0.00 H new ATOM 0 HA TYR A 27 -19.958 4.031 0.848 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -21.258 5.595 -1.418 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -21.262 3.851 -1.244 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -22.021 3.240 1.421 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -23.335 6.528 -0.950 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -24.077 3.376 2.753 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -25.393 6.667 0.383 1.00 0.00 H new ATOM 0 HH TYR A 27 -25.827 4.801 3.310 1.00 0.00 H new ATOM 407 N ARG A 28 -18.256 3.554 -0.934 1.00 0.00 N ATOM 408 CA ARG A 28 -17.090 3.324 -1.778 1.00 0.00 C ATOM 409 C ARG A 28 -17.180 4.141 -3.064 1.00 0.00 C ATOM 410 O ARG A 28 -18.270 4.377 -3.585 1.00 0.00 O ATOM 411 CB ARG A 28 -16.961 1.837 -2.114 1.00 0.00 C ATOM 412 CG ARG A 28 -16.124 1.057 -1.113 1.00 0.00 C ATOM 413 CD ARG A 28 -15.417 -0.116 -1.772 1.00 0.00 C ATOM 414 NE ARG A 28 -16.226 -1.332 -1.737 1.00 0.00 N ATOM 415 CZ ARG A 28 -16.380 -2.081 -0.650 1.00 0.00 C ATOM 416 NH1 ARG A 28 -15.784 -1.740 0.484 1.00 0.00 N ATOM 417 NH2 ARG A 28 -17.132 -3.173 -0.697 1.00 0.00 N ATOM 0 H ARG A 28 -18.636 2.712 -0.502 1.00 0.00 H new ATOM 0 HA ARG A 28 -16.206 3.642 -1.226 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -17.957 1.397 -2.164 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -16.517 1.734 -3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.387 1.719 -0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -16.763 0.693 -0.309 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -15.185 0.135 -2.807 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.468 -0.297 -1.268 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.698 -1.622 -2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -15.205 -0.901 0.524 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.904 -2.317 1.317 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -17.592 -3.438 -1.568 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -17.250 -3.747 0.138 1.00 0.00 H new ATOM 431 N ALA A 29 -16.028 4.568 -3.570 1.00 0.00 N ATOM 432 CA ALA A 29 -15.977 5.356 -4.795 1.00 0.00 C ATOM 433 C ALA A 29 -14.539 5.546 -5.266 1.00 0.00 C ATOM 434 O ALA A 29 -13.605 5.013 -4.668 1.00 0.00 O ATOM 435 CB ALA A 29 -16.647 6.706 -4.583 1.00 0.00 C ATOM 0 H ALA A 29 -15.117 4.381 -3.150 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.517 4.812 -5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.601 7.284 -5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.689 6.555 -4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.131 7.248 -3.790 1.00 0.00 H new ATOM 441 N GLU A 30 -14.369 6.308 -6.342 1.00 0.00 N ATOM 442 CA GLU A 30 -13.044 6.566 -6.893 1.00 0.00 C ATOM 443 C GLU A 30 -13.030 7.869 -7.687 1.00 0.00 C ATOM 444 O GLU A 30 -13.746 8.014 -8.678 1.00 0.00 O ATOM 445 CB GLU A 30 -12.605 5.406 -7.789 1.00 0.00 C ATOM 446 CG GLU A 30 -11.178 5.533 -8.294 1.00 0.00 C ATOM 447 CD GLU A 30 -10.935 4.739 -9.563 1.00 0.00 C ATOM 448 OE1 GLU A 30 -11.755 4.848 -10.498 1.00 0.00 O ATOM 449 OE2 GLU A 30 -9.925 4.007 -9.619 1.00 0.00 O ATOM 0 H GLU A 30 -15.132 6.757 -6.849 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.345 6.659 -6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.704 4.473 -7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.279 5.342 -8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.954 6.584 -8.479 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.491 5.192 -7.520 1.00 0.00 H new ATOM 456 N VAL A 31 -12.209 8.816 -7.244 1.00 0.00 N ATOM 457 CA VAL A 31 -12.099 10.108 -7.912 1.00 0.00 C ATOM 458 C VAL A 31 -12.014 9.938 -9.425 1.00 0.00 C ATOM 459 O VAL A 31 -11.090 9.306 -9.937 1.00 0.00 O ATOM 460 CB VAL A 31 -10.866 10.890 -7.424 1.00 0.00 C ATOM 461 CG1 VAL A 31 -10.634 12.118 -8.290 1.00 0.00 C ATOM 462 CG2 VAL A 31 -11.027 11.280 -5.962 1.00 0.00 C ATOM 0 H VAL A 31 -11.610 8.713 -6.425 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.998 10.671 -7.662 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.991 10.245 -7.510 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.758 12.657 -7.929 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.470 11.809 -9.322 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.507 12.769 -8.240 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.146 11.832 -5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.912 11.907 -5.848 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.139 10.381 -5.356 1.00 0.00 H new ATOM 472 N GLU A 32 -12.983 10.507 -10.135 1.00 0.00 N ATOM 473 CA GLU A 32 -13.016 10.418 -11.590 1.00 0.00 C ATOM 474 C GLU A 32 -12.261 11.583 -12.224 1.00 0.00 C ATOM 475 O GLU A 32 -11.377 11.384 -13.056 1.00 0.00 O ATOM 476 CB GLU A 32 -14.463 10.402 -12.089 1.00 0.00 C ATOM 477 CG GLU A 32 -14.644 9.668 -13.407 1.00 0.00 C ATOM 478 CD GLU A 32 -14.225 10.503 -14.601 1.00 0.00 C ATOM 479 OE1 GLU A 32 -15.027 11.352 -15.043 1.00 0.00 O ATOM 480 OE2 GLU A 32 -13.095 10.307 -15.095 1.00 0.00 O ATOM 0 H GLU A 32 -13.755 11.034 -9.727 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.527 9.489 -11.883 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.094 9.935 -11.333 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.810 11.429 -12.204 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.061 8.747 -13.389 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.690 9.381 -13.518 1.00 0.00 H new ATOM 487 N ALA A 33 -12.617 12.799 -11.823 1.00 0.00 N ATOM 488 CA ALA A 33 -11.973 13.996 -12.350 1.00 0.00 C ATOM 489 C ALA A 33 -12.172 15.184 -11.414 1.00 0.00 C ATOM 490 O ALA A 33 -13.284 15.444 -10.952 1.00 0.00 O ATOM 491 CB ALA A 33 -12.511 14.318 -13.736 1.00 0.00 C ATOM 0 H ALA A 33 -13.348 12.981 -11.135 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.903 13.800 -12.424 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.021 15.214 -14.117 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.312 13.482 -14.407 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.586 14.489 -13.678 1.00 0.00 H new ATOM 497 N LEU A 34 -11.089 15.901 -11.138 1.00 0.00 N ATOM 498 CA LEU A 34 -11.144 17.062 -10.256 1.00 0.00 C ATOM 499 C LEU A 34 -11.578 18.307 -11.022 1.00 0.00 C ATOM 500 O LEU A 34 -11.530 18.341 -12.252 1.00 0.00 O ATOM 501 CB LEU A 34 -9.780 17.298 -9.606 1.00 0.00 C ATOM 502 CG LEU A 34 -9.141 16.086 -8.927 1.00 0.00 C ATOM 503 CD1 LEU A 34 -7.625 16.210 -8.931 1.00 0.00 C ATOM 504 CD2 LEU A 34 -9.662 15.934 -7.506 1.00 0.00 C ATOM 0 H LEU A 34 -10.162 15.699 -11.512 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.880 16.862 -9.478 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.094 17.665 -10.370 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.885 18.091 -8.865 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.414 15.193 -9.489 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.187 15.339 -8.444 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.267 16.269 -9.959 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.332 17.112 -8.393 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.196 15.066 -7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.420 16.829 -6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.743 15.798 -7.528 1.00 0.00 H new ATOM 516 N HIS A 35 -11.999 19.332 -10.287 1.00 0.00 N ATOM 517 CA HIS A 35 -12.439 20.581 -10.897 1.00 0.00 C ATOM 518 C HIS A 35 -11.280 21.568 -11.009 1.00 0.00 C ATOM 519 O HIS A 35 -10.192 21.324 -10.489 1.00 0.00 O ATOM 520 CB HIS A 35 -13.574 21.200 -10.080 1.00 0.00 C ATOM 521 CG HIS A 35 -14.294 22.302 -10.795 1.00 0.00 C ATOM 522 ND1 HIS A 35 -14.573 23.520 -10.214 1.00 0.00 N ATOM 523 CD2 HIS A 35 -14.792 22.364 -12.053 1.00 0.00 C ATOM 524 CE1 HIS A 35 -15.213 24.284 -11.082 1.00 0.00 C ATOM 525 NE2 HIS A 35 -15.358 23.605 -12.206 1.00 0.00 N ATOM 0 H HIS A 35 -12.044 19.322 -9.268 1.00 0.00 H new ATOM 0 HA HIS A 35 -12.803 20.359 -11.900 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.289 20.420 -9.818 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -13.168 21.588 -9.146 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -14.751 21.582 -12.797 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.559 25.291 -10.903 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -15.816 23.947 -13.050 1.00 0.00 H new ATOM 534 N SER A 36 -11.522 22.682 -11.693 1.00 0.00 N ATOM 535 CA SER A 36 -10.498 23.703 -11.878 1.00 0.00 C ATOM 536 C SER A 36 -10.334 24.543 -10.615 1.00 0.00 C ATOM 537 O SER A 36 -9.256 24.590 -10.023 1.00 0.00 O ATOM 538 CB SER A 36 -10.854 24.605 -13.061 1.00 0.00 C ATOM 539 OG SER A 36 -10.427 24.032 -14.285 1.00 0.00 O ATOM 0 H SER A 36 -12.418 22.900 -12.128 1.00 0.00 H new ATOM 0 HA SER A 36 -9.553 23.201 -12.085 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.932 24.767 -13.088 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.388 25.582 -12.931 1.00 0.00 H new ATOM 0 HG SER A 36 -10.668 24.626 -15.026 1.00 0.00 H new ATOM 545 N SER A 37 -11.413 25.205 -10.208 1.00 0.00 N ATOM 546 CA SER A 37 -11.389 26.047 -9.018 1.00 0.00 C ATOM 547 C SER A 37 -10.777 25.301 -7.837 1.00 0.00 C ATOM 548 O SER A 37 -9.873 25.804 -7.171 1.00 0.00 O ATOM 549 CB SER A 37 -12.805 26.509 -8.666 1.00 0.00 C ATOM 550 OG SER A 37 -13.398 27.204 -9.749 1.00 0.00 O ATOM 0 H SER A 37 -12.314 25.174 -10.685 1.00 0.00 H new ATOM 0 HA SER A 37 -10.772 26.920 -9.233 1.00 0.00 H new ATOM 0 HB2 SER A 37 -13.418 25.647 -8.404 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.773 27.155 -7.789 1.00 0.00 H new ATOM 0 HG SER A 37 -14.303 27.487 -9.500 1.00 0.00 H new ATOM 556 N GLY A 38 -11.277 24.096 -7.582 1.00 0.00 N ATOM 557 CA GLY A 38 -10.769 23.298 -6.482 1.00 0.00 C ATOM 558 C GLY A 38 -11.765 23.176 -5.346 1.00 0.00 C ATOM 559 O GLY A 38 -11.405 23.319 -4.178 1.00 0.00 O ATOM 0 H GLY A 38 -12.026 23.658 -8.118 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.514 22.303 -6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.848 23.745 -6.107 1.00 0.00 H new ATOM 563 N MET A 39 -13.021 22.912 -5.688 1.00 0.00 N ATOM 564 CA MET A 39 -14.073 22.771 -4.688 1.00 0.00 C ATOM 565 C MET A 39 -14.685 21.375 -4.735 1.00 0.00 C ATOM 566 O MET A 39 -14.638 20.631 -3.756 1.00 0.00 O ATOM 567 CB MET A 39 -15.159 23.826 -4.907 1.00 0.00 C ATOM 568 CG MET A 39 -14.905 25.125 -4.159 1.00 0.00 C ATOM 569 SD MET A 39 -16.424 26.025 -3.794 1.00 0.00 S ATOM 570 CE MET A 39 -15.810 27.290 -2.686 1.00 0.00 C ATOM 0 H MET A 39 -13.336 22.791 -6.651 1.00 0.00 H new ATOM 0 HA MET A 39 -13.627 22.919 -3.704 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.237 24.040 -5.973 1.00 0.00 H new ATOM 0 HB3 MET A 39 -16.119 23.417 -4.593 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.384 24.907 -3.227 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.246 25.758 -4.752 1.00 0.00 H new ATOM 0 HE1 MET A 39 -16.635 27.930 -2.371 1.00 0.00 H new ATOM 0 HE2 MET A 39 -15.361 26.820 -1.811 1.00 0.00 H new ATOM 0 HE3 MET A 39 -15.060 27.891 -3.200 1.00 0.00 H new ATOM 580 N THR A 40 -15.261 21.025 -5.882 1.00 0.00 N ATOM 581 CA THR A 40 -15.885 19.720 -6.056 1.00 0.00 C ATOM 582 C THR A 40 -15.142 18.891 -7.098 1.00 0.00 C ATOM 583 O THR A 40 -14.278 19.401 -7.810 1.00 0.00 O ATOM 584 CB THR A 40 -17.360 19.853 -6.480 1.00 0.00 C ATOM 585 OG1 THR A 40 -17.450 20.552 -7.726 1.00 0.00 O ATOM 586 CG2 THR A 40 -18.162 20.592 -5.419 1.00 0.00 C ATOM 0 H THR A 40 -15.308 21.628 -6.703 1.00 0.00 H new ATOM 0 HA THR A 40 -15.837 19.216 -5.091 1.00 0.00 H new ATOM 0 HB THR A 40 -17.775 18.852 -6.595 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.391 20.631 -7.990 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.201 20.674 -5.740 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.115 20.042 -4.479 1.00 0.00 H new ATOM 0 HG23 THR A 40 -17.746 21.589 -5.277 1.00 0.00 H new ATOM 594 N ALA A 41 -15.485 17.610 -7.183 1.00 0.00 N ATOM 595 CA ALA A 41 -14.853 16.711 -8.140 1.00 0.00 C ATOM 596 C ALA A 41 -15.769 15.542 -8.484 1.00 0.00 C ATOM 597 O ALA A 41 -16.449 14.996 -7.615 1.00 0.00 O ATOM 598 CB ALA A 41 -13.528 16.202 -7.590 1.00 0.00 C ATOM 0 H ALA A 41 -16.198 17.171 -6.600 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.663 17.271 -9.056 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.067 15.531 -8.315 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.864 17.046 -7.402 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.703 15.664 -6.658 1.00 0.00 H new ATOM 604 N VAL A 42 -15.784 15.162 -9.758 1.00 0.00 N ATOM 605 CA VAL A 42 -16.617 14.058 -10.217 1.00 0.00 C ATOM 606 C VAL A 42 -16.060 12.718 -9.749 1.00 0.00 C ATOM 607 O VAL A 42 -14.979 12.303 -10.167 1.00 0.00 O ATOM 608 CB VAL A 42 -16.734 14.044 -11.753 1.00 0.00 C ATOM 609 CG1 VAL A 42 -17.585 12.870 -12.213 1.00 0.00 C ATOM 610 CG2 VAL A 42 -17.310 15.359 -12.255 1.00 0.00 C ATOM 0 H VAL A 42 -15.228 15.603 -10.491 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.607 14.208 -9.786 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.736 13.926 -12.175 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.656 12.876 -13.301 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.126 11.937 -11.885 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.583 12.954 -11.783 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.386 15.332 -13.342 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.301 15.510 -11.826 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.657 16.179 -11.957 1.00 0.00 H new ATOM 620 N VAL A 43 -16.806 12.045 -8.879 1.00 0.00 N ATOM 621 CA VAL A 43 -16.388 10.750 -8.354 1.00 0.00 C ATOM 622 C VAL A 43 -17.397 9.663 -8.706 1.00 0.00 C ATOM 623 O VAL A 43 -18.584 9.936 -8.884 1.00 0.00 O ATOM 624 CB VAL A 43 -16.210 10.795 -6.825 1.00 0.00 C ATOM 625 CG1 VAL A 43 -15.050 11.704 -6.449 1.00 0.00 C ATOM 626 CG2 VAL A 43 -17.496 11.251 -6.153 1.00 0.00 C ATOM 0 H VAL A 43 -17.703 12.375 -8.523 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.429 10.515 -8.817 1.00 0.00 H new ATOM 0 HB VAL A 43 -15.980 9.789 -6.473 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -14.940 11.723 -5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.132 11.328 -6.901 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.246 12.713 -6.812 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.353 11.277 -5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.759 12.247 -6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.300 10.556 -6.396 1.00 0.00 H new ATOM 636 N LYS A 44 -16.917 8.428 -8.805 1.00 0.00 N ATOM 637 CA LYS A 44 -17.777 7.296 -9.133 1.00 0.00 C ATOM 638 C LYS A 44 -17.792 6.277 -7.999 1.00 0.00 C ATOM 639 O LYS A 44 -16.741 5.837 -7.532 1.00 0.00 O ATOM 640 CB LYS A 44 -17.304 6.629 -10.427 1.00 0.00 C ATOM 641 CG LYS A 44 -18.414 5.929 -11.191 1.00 0.00 C ATOM 642 CD LYS A 44 -17.861 5.080 -12.324 1.00 0.00 C ATOM 643 CE LYS A 44 -17.342 3.744 -11.816 1.00 0.00 C ATOM 644 NZ LYS A 44 -17.320 2.713 -12.891 1.00 0.00 N ATOM 0 H LYS A 44 -15.937 8.185 -8.663 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.791 7.670 -9.274 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.851 7.383 -11.070 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.525 5.904 -10.189 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.986 5.300 -10.509 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -19.104 6.671 -11.594 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.640 4.910 -13.067 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -17.056 5.618 -12.824 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.336 3.873 -11.416 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.970 3.399 -10.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.960 1.817 -12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.284 2.571 -13.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.701 3.031 -13.664 1.00 0.00 H new ATOM 658 N PHE A 45 -18.990 5.904 -7.561 1.00 0.00 N ATOM 659 CA PHE A 45 -19.141 4.935 -6.481 1.00 0.00 C ATOM 660 C PHE A 45 -18.755 3.535 -6.949 1.00 0.00 C ATOM 661 O PHE A 45 -18.877 3.206 -8.129 1.00 0.00 O ATOM 662 CB PHE A 45 -20.582 4.935 -5.967 1.00 0.00 C ATOM 663 CG PHE A 45 -20.944 6.170 -5.194 1.00 0.00 C ATOM 664 CD1 PHE A 45 -20.697 6.249 -3.833 1.00 0.00 C ATOM 665 CD2 PHE A 45 -21.531 7.253 -5.828 1.00 0.00 C ATOM 666 CE1 PHE A 45 -21.028 7.385 -3.118 1.00 0.00 C ATOM 667 CE2 PHE A 45 -21.863 8.392 -5.119 1.00 0.00 C ATOM 668 CZ PHE A 45 -21.613 8.458 -3.762 1.00 0.00 C ATOM 0 H PHE A 45 -19.870 6.258 -7.937 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.473 5.224 -5.670 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -21.261 4.834 -6.814 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -20.733 4.062 -5.332 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -20.240 5.413 -3.324 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.731 7.207 -6.888 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -20.830 7.433 -2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.318 9.230 -5.626 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.874 9.346 -3.206 1.00 0.00 H new ATOM 678 N THR A 46 -18.288 2.713 -6.014 1.00 0.00 N ATOM 679 CA THR A 46 -17.882 1.349 -6.328 1.00 0.00 C ATOM 680 C THR A 46 -19.007 0.361 -6.042 1.00 0.00 C ATOM 681 O THR A 46 -19.014 -0.754 -6.564 1.00 0.00 O ATOM 682 CB THR A 46 -16.634 0.935 -5.526 1.00 0.00 C ATOM 683 OG1 THR A 46 -15.849 2.091 -5.211 1.00 0.00 O ATOM 684 CG2 THR A 46 -15.791 -0.058 -6.311 1.00 0.00 C ATOM 0 H THR A 46 -18.182 2.969 -5.032 1.00 0.00 H new ATOM 0 HA THR A 46 -17.644 1.327 -7.392 1.00 0.00 H new ATOM 0 HB THR A 46 -16.964 0.457 -4.603 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.111 1.834 -4.620 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.915 -0.336 -5.724 1.00 0.00 H new ATOM 0 HG22 THR A 46 -16.382 -0.949 -6.524 1.00 0.00 H new ATOM 0 HG23 THR A 46 -15.470 0.398 -7.248 1.00 0.00 H new ATOM 692 N ASP A 47 -19.957 0.777 -5.213 1.00 0.00 N ATOM 693 CA ASP A 47 -21.089 -0.071 -4.859 1.00 0.00 C ATOM 694 C ASP A 47 -21.878 -0.471 -6.102 1.00 0.00 C ATOM 695 O ASP A 47 -22.287 -1.623 -6.246 1.00 0.00 O ATOM 696 CB ASP A 47 -22.004 0.650 -3.868 1.00 0.00 C ATOM 697 CG ASP A 47 -21.504 0.550 -2.440 1.00 0.00 C ATOM 698 OD1 ASP A 47 -21.254 -0.582 -1.976 1.00 0.00 O ATOM 699 OD2 ASP A 47 -21.363 1.605 -1.787 1.00 0.00 O ATOM 0 H ASP A 47 -19.966 1.697 -4.773 1.00 0.00 H new ATOM 0 HA ASP A 47 -20.701 -0.976 -4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -22.084 1.700 -4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -23.007 0.227 -3.929 1.00 0.00 H new ATOM 704 N TYR A 48 -22.090 0.489 -6.996 1.00 0.00 N ATOM 705 CA TYR A 48 -22.833 0.239 -8.225 1.00 0.00 C ATOM 706 C TYR A 48 -22.038 0.695 -9.444 1.00 0.00 C ATOM 707 O TYR A 48 -21.947 -0.019 -10.443 1.00 0.00 O ATOM 708 CB TYR A 48 -24.183 0.957 -8.184 1.00 0.00 C ATOM 709 CG TYR A 48 -24.873 0.874 -6.841 1.00 0.00 C ATOM 710 CD1 TYR A 48 -25.670 -0.216 -6.514 1.00 0.00 C ATOM 711 CD2 TYR A 48 -24.729 1.886 -5.900 1.00 0.00 C ATOM 712 CE1 TYR A 48 -26.303 -0.296 -5.288 1.00 0.00 C ATOM 713 CE2 TYR A 48 -25.357 1.814 -4.672 1.00 0.00 C ATOM 714 CZ TYR A 48 -26.143 0.721 -4.371 1.00 0.00 C ATOM 715 OH TYR A 48 -26.771 0.646 -3.149 1.00 0.00 O ATOM 0 H TYR A 48 -21.757 1.448 -6.892 1.00 0.00 H new ATOM 0 HA TYR A 48 -23.003 -0.835 -8.306 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -24.035 2.005 -8.443 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -24.836 0.530 -8.945 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -25.797 -1.014 -7.230 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -24.115 2.744 -6.133 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -26.919 -1.150 -5.050 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -25.233 2.609 -3.951 1.00 0.00 H new ATOM 0 HH TYR A 48 -26.554 1.442 -2.620 1.00 0.00 H new ATOM 725 N GLY A 49 -21.463 1.890 -9.355 1.00 0.00 N ATOM 726 CA GLY A 49 -20.683 2.422 -10.457 1.00 0.00 C ATOM 727 C GLY A 49 -21.303 3.667 -11.059 1.00 0.00 C ATOM 728 O GLY A 49 -21.252 3.869 -12.272 1.00 0.00 O ATOM 0 H GLY A 49 -21.523 2.499 -8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -19.677 2.654 -10.107 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.584 1.659 -11.229 1.00 0.00 H new ATOM 732 N ASN A 50 -21.893 4.502 -10.211 1.00 0.00 N ATOM 733 CA ASN A 50 -22.529 5.733 -10.667 1.00 0.00 C ATOM 734 C ASN A 50 -21.701 6.952 -10.272 1.00 0.00 C ATOM 735 O ASN A 50 -21.068 6.970 -9.216 1.00 0.00 O ATOM 736 CB ASN A 50 -23.939 5.849 -10.084 1.00 0.00 C ATOM 737 CG ASN A 50 -23.994 5.456 -8.620 1.00 0.00 C ATOM 738 OD1 ASN A 50 -24.137 4.280 -8.287 1.00 0.00 O ATOM 739 ND2 ASN A 50 -23.880 6.443 -7.738 1.00 0.00 N ATOM 0 H ASN A 50 -21.944 4.349 -9.204 1.00 0.00 H new ATOM 0 HA ASN A 50 -22.594 5.698 -11.754 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -24.292 6.874 -10.196 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -24.618 5.214 -10.653 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -23.910 6.240 -6.739 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -23.763 7.404 -8.060 1.00 0.00 H new ATOM 746 N TYR A 51 -21.711 7.968 -11.127 1.00 0.00 N ATOM 747 CA TYR A 51 -20.959 9.191 -10.868 1.00 0.00 C ATOM 748 C TYR A 51 -21.798 10.189 -10.075 1.00 0.00 C ATOM 749 O TYR A 51 -23.026 10.177 -10.146 1.00 0.00 O ATOM 750 CB TYR A 51 -20.505 9.823 -12.185 1.00 0.00 C ATOM 751 CG TYR A 51 -19.707 8.886 -13.063 1.00 0.00 C ATOM 752 CD1 TYR A 51 -18.369 8.623 -12.797 1.00 0.00 C ATOM 753 CD2 TYR A 51 -20.292 8.263 -14.159 1.00 0.00 C ATOM 754 CE1 TYR A 51 -17.636 7.768 -13.597 1.00 0.00 C ATOM 755 CE2 TYR A 51 -19.567 7.406 -14.964 1.00 0.00 C ATOM 756 CZ TYR A 51 -18.240 7.162 -14.679 1.00 0.00 C ATOM 757 OH TYR A 51 -17.513 6.308 -15.478 1.00 0.00 O ATOM 0 H TYR A 51 -22.231 7.970 -12.005 1.00 0.00 H new ATOM 0 HA TYR A 51 -20.082 8.930 -10.276 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -21.382 10.165 -12.735 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.902 10.704 -11.966 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -17.894 9.095 -11.950 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -21.331 8.452 -14.385 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -16.596 7.575 -13.377 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -20.037 6.930 -15.812 1.00 0.00 H new ATOM 0 HH TYR A 51 -18.085 5.964 -16.195 1.00 0.00 H new ATOM 767 N GLU A 52 -21.123 11.050 -9.320 1.00 0.00 N ATOM 768 CA GLU A 52 -21.805 12.054 -8.513 1.00 0.00 C ATOM 769 C GLU A 52 -20.860 13.197 -8.152 1.00 0.00 C ATOM 770 O GLU A 52 -19.669 12.983 -7.929 1.00 0.00 O ATOM 771 CB GLU A 52 -22.367 11.421 -7.238 1.00 0.00 C ATOM 772 CG GLU A 52 -23.761 10.843 -7.408 1.00 0.00 C ATOM 773 CD GLU A 52 -24.709 11.802 -8.102 1.00 0.00 C ATOM 774 OE1 GLU A 52 -24.573 13.026 -7.893 1.00 0.00 O ATOM 775 OE2 GLU A 52 -25.587 11.329 -8.854 1.00 0.00 O ATOM 0 H GLU A 52 -20.106 11.072 -9.251 1.00 0.00 H new ATOM 0 HA GLU A 52 -22.628 12.458 -9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.693 10.631 -6.908 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.388 12.172 -6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -23.700 9.919 -7.983 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -24.165 10.583 -6.429 1.00 0.00 H new ATOM 782 N GLU A 53 -21.401 14.410 -8.099 1.00 0.00 N ATOM 783 CA GLU A 53 -20.606 15.587 -7.767 1.00 0.00 C ATOM 784 C GLU A 53 -20.574 15.814 -6.259 1.00 0.00 C ATOM 785 O GLU A 53 -21.545 16.291 -5.671 1.00 0.00 O ATOM 786 CB GLU A 53 -21.168 16.824 -8.469 1.00 0.00 C ATOM 787 CG GLU A 53 -20.238 18.025 -8.424 1.00 0.00 C ATOM 788 CD GLU A 53 -20.517 19.021 -9.533 1.00 0.00 C ATOM 789 OE1 GLU A 53 -21.621 19.604 -9.545 1.00 0.00 O ATOM 790 OE2 GLU A 53 -19.629 19.217 -10.390 1.00 0.00 O ATOM 0 H GLU A 53 -22.386 14.604 -8.282 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.587 15.415 -8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.378 16.577 -9.510 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.118 17.093 -8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.340 18.523 -7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -19.206 17.683 -8.499 1.00 0.00 H new ATOM 797 N VAL A 54 -19.450 15.470 -5.638 1.00 0.00 N ATOM 798 CA VAL A 54 -19.290 15.637 -4.198 1.00 0.00 C ATOM 799 C VAL A 54 -18.127 16.570 -3.879 1.00 0.00 C ATOM 800 O VAL A 54 -17.165 16.665 -4.643 1.00 0.00 O ATOM 801 CB VAL A 54 -19.057 14.285 -3.499 1.00 0.00 C ATOM 802 CG1 VAL A 54 -19.474 14.360 -2.038 1.00 0.00 C ATOM 803 CG2 VAL A 54 -19.808 13.176 -4.220 1.00 0.00 C ATOM 0 H VAL A 54 -18.637 15.074 -6.110 1.00 0.00 H new ATOM 0 HA VAL A 54 -20.216 16.075 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 54 -17.992 14.055 -3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -19.302 13.395 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -18.887 15.126 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -20.532 14.613 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -19.632 12.228 -3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -20.875 13.397 -4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -19.456 13.107 -5.249 1.00 0.00 H new ATOM 813 N LEU A 55 -18.220 17.256 -2.745 1.00 0.00 N ATOM 814 CA LEU A 55 -17.175 18.182 -2.323 1.00 0.00 C ATOM 815 C LEU A 55 -15.934 17.426 -1.857 1.00 0.00 C ATOM 816 O LEU A 55 -16.036 16.359 -1.251 1.00 0.00 O ATOM 817 CB LEU A 55 -17.688 19.084 -1.200 1.00 0.00 C ATOM 818 CG LEU A 55 -18.465 20.327 -1.640 1.00 0.00 C ATOM 819 CD1 LEU A 55 -19.446 20.753 -0.559 1.00 0.00 C ATOM 820 CD2 LEU A 55 -17.509 21.463 -1.973 1.00 0.00 C ATOM 0 H LEU A 55 -19.008 17.188 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 55 -16.903 18.799 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.330 18.491 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.836 19.406 -0.601 1.00 0.00 H new ATOM 0 HG LEU A 55 -19.031 20.080 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -19.990 21.638 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.151 19.944 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.901 20.982 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -18.079 22.339 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.916 21.710 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.846 21.155 -2.782 1.00 0.00 H new ATOM 832 N LEU A 56 -14.765 17.988 -2.141 1.00 0.00 N ATOM 833 CA LEU A 56 -13.503 17.369 -1.748 1.00 0.00 C ATOM 834 C LEU A 56 -13.404 17.250 -0.231 1.00 0.00 C ATOM 835 O LEU A 56 -12.701 16.383 0.289 1.00 0.00 O ATOM 836 CB LEU A 56 -12.324 18.182 -2.286 1.00 0.00 C ATOM 837 CG LEU A 56 -12.275 18.370 -3.802 1.00 0.00 C ATOM 838 CD1 LEU A 56 -11.282 19.461 -4.173 1.00 0.00 C ATOM 839 CD2 LEU A 56 -11.915 17.062 -4.491 1.00 0.00 C ATOM 0 H LEU A 56 -14.664 18.871 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.470 16.367 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.344 19.166 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.400 17.698 -1.970 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.264 18.676 -4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.261 19.581 -5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.584 20.400 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.289 19.185 -3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.885 17.215 -5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.938 16.725 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.664 16.307 -4.253 1.00 0.00 H new ATOM 851 N SER A 57 -14.114 18.125 0.474 1.00 0.00 N ATOM 852 CA SER A 57 -14.105 18.120 1.932 1.00 0.00 C ATOM 853 C SER A 57 -15.014 17.023 2.477 1.00 0.00 C ATOM 854 O SER A 57 -15.019 16.744 3.675 1.00 0.00 O ATOM 855 CB SER A 57 -14.549 19.481 2.471 1.00 0.00 C ATOM 856 OG SER A 57 -14.050 19.699 3.780 1.00 0.00 O ATOM 0 H SER A 57 -14.703 18.847 0.059 1.00 0.00 H new ATOM 0 HA SER A 57 -13.086 17.921 2.264 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.196 20.271 1.808 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.638 19.535 2.480 1.00 0.00 H new ATOM 0 HG SER A 57 -14.346 20.576 4.101 1.00 0.00 H new ATOM 862 N ASN A 58 -15.782 16.403 1.587 1.00 0.00 N ATOM 863 CA ASN A 58 -16.697 15.337 1.977 1.00 0.00 C ATOM 864 C ASN A 58 -16.191 13.982 1.492 1.00 0.00 C ATOM 865 O ASN A 58 -16.958 13.025 1.381 1.00 0.00 O ATOM 866 CB ASN A 58 -18.094 15.603 1.414 1.00 0.00 C ATOM 867 CG ASN A 58 -18.727 16.850 2.001 1.00 0.00 C ATOM 868 OD1 ASN A 58 -18.259 17.381 3.009 1.00 0.00 O ATOM 869 ND2 ASN A 58 -19.796 17.324 1.372 1.00 0.00 N ATOM 0 H ASN A 58 -15.789 16.621 0.591 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.749 15.318 3.066 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.032 15.706 0.331 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.734 14.744 1.617 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.264 18.161 1.721 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.149 16.852 0.540 1.00 0.00 H new ATOM 876 N ILE A 59 -14.896 13.908 1.206 1.00 0.00 N ATOM 877 CA ILE A 59 -14.287 12.670 0.734 1.00 0.00 C ATOM 878 C ILE A 59 -13.237 12.165 1.718 1.00 0.00 C ATOM 879 O ILE A 59 -12.470 12.946 2.280 1.00 0.00 O ATOM 880 CB ILE A 59 -13.633 12.855 -0.648 1.00 0.00 C ATOM 881 CG1 ILE A 59 -14.438 13.847 -1.489 1.00 0.00 C ATOM 882 CG2 ILE A 59 -13.519 11.517 -1.362 1.00 0.00 C ATOM 883 CD1 ILE A 59 -14.013 13.894 -2.940 1.00 0.00 C ATOM 0 H ILE A 59 -14.248 14.691 1.293 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.088 11.935 0.652 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.630 13.257 -0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -15.494 13.582 -1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -14.337 14.843 -1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -13.055 11.663 -2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.907 10.838 -0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -14.513 11.089 -1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -14.627 14.618 -3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -12.966 14.189 -3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.140 12.909 -3.388 1.00 0.00 H new ATOM 895 N LYS A 60 -13.207 10.852 1.920 1.00 0.00 N ATOM 896 CA LYS A 60 -12.250 10.240 2.833 1.00 0.00 C ATOM 897 C LYS A 60 -11.419 9.178 2.119 1.00 0.00 C ATOM 898 O LYS A 60 -11.922 8.409 1.301 1.00 0.00 O ATOM 899 CB LYS A 60 -12.978 9.615 4.026 1.00 0.00 C ATOM 900 CG LYS A 60 -14.180 10.418 4.492 1.00 0.00 C ATOM 901 CD LYS A 60 -13.780 11.813 4.942 1.00 0.00 C ATOM 902 CE LYS A 60 -14.961 12.770 4.907 1.00 0.00 C ATOM 903 NZ LYS A 60 -15.698 12.788 6.201 1.00 0.00 N ATOM 0 H LYS A 60 -13.835 10.191 1.463 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.580 11.021 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.305 8.611 3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.278 9.511 4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.906 10.490 3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.670 9.896 5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.376 11.768 5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.985 12.190 4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.608 13.775 4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.641 12.479 4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.165 13.709 6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.414 12.034 6.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.030 12.633 6.983 1.00 0.00 H new ATOM 917 N PRO A 61 -10.116 9.133 2.436 1.00 0.00 N ATOM 918 CA PRO A 61 -9.189 8.168 1.837 1.00 0.00 C ATOM 919 C PRO A 61 -9.453 6.742 2.306 1.00 0.00 C ATOM 920 O PRO A 61 -9.590 6.487 3.503 1.00 0.00 O ATOM 921 CB PRO A 61 -7.818 8.646 2.322 1.00 0.00 C ATOM 922 CG PRO A 61 -8.099 9.382 3.586 1.00 0.00 C ATOM 923 CD PRO A 61 -9.448 10.020 3.403 1.00 0.00 C ATOM 0 HA PRO A 61 -9.284 8.131 0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.144 7.807 2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.341 9.292 1.585 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.100 8.705 4.440 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.334 10.135 3.778 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.997 10.076 4.343 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.363 11.038 3.023 1.00 0.00 H new ATOM 931 N VAL A 62 -9.524 5.815 1.357 1.00 0.00 N ATOM 932 CA VAL A 62 -9.770 4.413 1.674 1.00 0.00 C ATOM 933 C VAL A 62 -8.496 3.727 2.155 1.00 0.00 C ATOM 934 O VAL A 62 -7.426 3.905 1.574 1.00 0.00 O ATOM 935 CB VAL A 62 -10.321 3.650 0.454 1.00 0.00 C ATOM 936 CG1 VAL A 62 -10.680 2.222 0.835 1.00 0.00 C ATOM 937 CG2 VAL A 62 -11.526 4.374 -0.126 1.00 0.00 C ATOM 0 H VAL A 62 -9.415 6.009 0.362 1.00 0.00 H new ATOM 0 HA VAL A 62 -10.513 4.394 2.471 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.545 3.613 -0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.067 1.699 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.791 1.709 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.439 2.234 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.903 3.822 -0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.307 4.444 0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.233 5.376 -0.438 1.00 0.00 H new