USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=10 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 Set 1.1: A 35 HIS : no HD1:sc= -2.85! C(o=-2.8!,f=-2.2!) USER MOD Set 1.2: A 36 SER OG : rot 180:sc= 0.0401 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 70:sc= -2.29 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -4.73! C(o=-4.7!,f=-6.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 15:sc= -1.39 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 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.18 K(o=-1.2,f=-3.8!) 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 K(o=0,f=-1.6) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 -5.088 16.006 -0.681 1.00 0.00 N ATOM 89 CA VAL A 9 -4.870 16.070 -2.121 1.00 0.00 C ATOM 90 C VAL A 9 -5.469 14.857 -2.822 1.00 0.00 C ATOM 91 O VAL A 9 -5.146 13.715 -2.494 1.00 0.00 O ATOM 92 CB VAL A 9 -3.370 16.156 -2.458 1.00 0.00 C ATOM 93 CG1 VAL A 9 -2.635 14.928 -1.942 1.00 0.00 C ATOM 94 CG2 VAL A 9 -3.170 16.315 -3.958 1.00 0.00 C ATOM 0 HA VAL A 9 -5.367 16.973 -2.477 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.954 17.034 -1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.576 15.007 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.751 14.863 -0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.051 14.034 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.104 16.374 -4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.601 15.458 -4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.662 17.227 -4.296 1.00 0.00 H new ATOM 104 N TRP A 10 -6.343 15.111 -3.789 1.00 0.00 N ATOM 105 CA TRP A 10 -6.988 14.039 -4.538 1.00 0.00 C ATOM 106 C TRP A 10 -6.467 13.986 -5.970 1.00 0.00 C ATOM 107 O TRP A 10 -5.852 14.937 -6.454 1.00 0.00 O ATOM 108 CB TRP A 10 -8.505 14.232 -4.541 1.00 0.00 C ATOM 109 CG TRP A 10 -9.121 14.117 -3.179 1.00 0.00 C ATOM 110 CD1 TRP A 10 -9.642 15.131 -2.427 1.00 0.00 C ATOM 111 CD2 TRP A 10 -9.279 12.921 -2.408 1.00 0.00 C ATOM 112 NE1 TRP A 10 -10.113 14.638 -1.235 1.00 0.00 N ATOM 113 CE2 TRP A 10 -9.903 13.285 -1.199 1.00 0.00 C ATOM 114 CE3 TRP A 10 -8.955 11.579 -2.622 1.00 0.00 C ATOM 115 CZ2 TRP A 10 -10.208 12.354 -0.209 1.00 0.00 C ATOM 116 CZ3 TRP A 10 -9.258 10.656 -1.639 1.00 0.00 C ATOM 117 CH2 TRP A 10 -9.880 11.047 -0.445 1.00 0.00 C ATOM 0 H TRP A 10 -6.621 16.050 -4.073 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.750 13.094 -4.049 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -8.739 15.212 -4.956 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -8.957 13.491 -5.200 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.678 16.168 -2.726 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -10.549 15.190 -0.496 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.476 11.268 -3.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.686 12.653 0.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -9.011 9.616 -1.793 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -10.105 10.302 0.303 1.00 0.00 H new ATOM 128 N LYS A 11 -6.717 12.869 -6.645 1.00 0.00 N ATOM 129 CA LYS A 11 -6.275 12.692 -8.023 1.00 0.00 C ATOM 130 C LYS A 11 -7.156 11.681 -8.752 1.00 0.00 C ATOM 131 O LYS A 11 -7.774 10.808 -8.142 1.00 0.00 O ATOM 132 CB LYS A 11 -4.816 12.231 -8.057 1.00 0.00 C ATOM 133 CG LYS A 11 -3.995 12.725 -6.879 1.00 0.00 C ATOM 134 CD LYS A 11 -2.557 12.241 -6.960 1.00 0.00 C ATOM 135 CE LYS A 11 -1.894 12.680 -8.256 1.00 0.00 C ATOM 136 NZ LYS A 11 -0.409 12.597 -8.175 1.00 0.00 N ATOM 0 H LYS A 11 -7.224 12.072 -6.260 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.358 13.653 -8.531 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.788 11.142 -8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.355 12.579 -8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.012 13.815 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.445 12.377 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.993 12.629 -6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.533 11.154 -6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.249 12.055 -9.075 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.189 13.704 -8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.006 12.905 -9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.068 13.213 -7.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.126 11.615 -7.981 1.00 0.00 H new ATOM 150 N PRO A 12 -7.214 11.799 -10.086 1.00 0.00 N ATOM 151 CA PRO A 12 -8.014 10.903 -10.926 1.00 0.00 C ATOM 152 C PRO A 12 -7.440 9.491 -10.978 1.00 0.00 C ATOM 153 O PRO A 12 -6.448 9.238 -11.660 1.00 0.00 O ATOM 154 CB PRO A 12 -7.947 11.558 -12.308 1.00 0.00 C ATOM 155 CG PRO A 12 -6.680 12.343 -12.295 1.00 0.00 C ATOM 156 CD PRO A 12 -6.502 12.816 -10.879 1.00 0.00 C ATOM 0 HA PRO A 12 -9.028 10.784 -10.544 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.941 10.810 -13.101 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.809 12.201 -12.483 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.837 11.729 -12.610 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.736 13.186 -12.984 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.449 12.874 -10.604 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.925 13.809 -10.731 1.00 0.00 H new ATOM 164 N GLY A 13 -8.071 8.573 -10.252 1.00 0.00 N ATOM 165 CA GLY A 13 -7.609 7.198 -10.229 1.00 0.00 C ATOM 166 C GLY A 13 -7.251 6.729 -8.833 1.00 0.00 C ATOM 167 O GLY A 13 -6.322 5.942 -8.654 1.00 0.00 O ATOM 0 H GLY A 13 -8.894 8.758 -9.679 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.385 6.551 -10.638 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.737 7.100 -10.876 1.00 0.00 H new ATOM 171 N ASP A 14 -7.988 7.215 -7.840 1.00 0.00 N ATOM 172 CA ASP A 14 -7.744 6.842 -6.452 1.00 0.00 C ATOM 173 C ASP A 14 -9.051 6.503 -5.742 1.00 0.00 C ATOM 174 O ASP A 14 -10.018 7.260 -5.810 1.00 0.00 O ATOM 175 CB ASP A 14 -7.027 7.975 -5.716 1.00 0.00 C ATOM 176 CG ASP A 14 -5.527 7.949 -5.932 1.00 0.00 C ATOM 177 OD1 ASP A 14 -4.889 6.946 -5.548 1.00 0.00 O ATOM 178 OD2 ASP A 14 -4.991 8.930 -6.487 1.00 0.00 O ATOM 0 H ASP A 14 -8.760 7.869 -7.971 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.109 5.956 -6.446 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.423 8.932 -6.055 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.239 7.902 -4.649 1.00 0.00 H new ATOM 183 N GLU A 15 -9.070 5.361 -5.062 1.00 0.00 N ATOM 184 CA GLU A 15 -10.259 4.922 -4.341 1.00 0.00 C ATOM 185 C GLU A 15 -10.497 5.787 -3.106 1.00 0.00 C ATOM 186 O GLU A 15 -9.592 5.993 -2.297 1.00 0.00 O ATOM 187 CB GLU A 15 -10.121 3.454 -3.931 1.00 0.00 C ATOM 188 CG GLU A 15 -9.901 2.513 -5.103 1.00 0.00 C ATOM 189 CD GLU A 15 -9.120 1.272 -4.715 1.00 0.00 C ATOM 190 OE1 GLU A 15 -7.872 1.331 -4.715 1.00 0.00 O ATOM 191 OE2 GLU A 15 -9.757 0.242 -4.411 1.00 0.00 O ATOM 0 H GLU A 15 -8.276 4.724 -4.995 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.116 5.027 -5.007 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.287 3.356 -3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.020 3.149 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.867 2.217 -5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.368 3.041 -5.893 1.00 0.00 H new ATOM 198 N CYS A 16 -11.719 6.289 -2.970 1.00 0.00 N ATOM 199 CA CYS A 16 -12.077 7.133 -1.835 1.00 0.00 C ATOM 200 C CYS A 16 -13.544 6.948 -1.461 1.00 0.00 C ATOM 201 O CYS A 16 -14.300 6.292 -2.178 1.00 0.00 O ATOM 202 CB CYS A 16 -11.801 8.602 -2.159 1.00 0.00 C ATOM 203 SG CYS A 16 -12.817 9.266 -3.499 1.00 0.00 S ATOM 0 H CYS A 16 -12.479 6.127 -3.631 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.464 6.835 -0.984 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -11.967 9.198 -1.262 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.750 8.713 -2.425 1.00 0.00 H new ATOM 0 HG CYS A 16 -14.049 9.370 -3.099 1.00 0.00 H new ATOM 209 N PHE A 17 -13.939 7.529 -0.334 1.00 0.00 N ATOM 210 CA PHE A 17 -15.316 7.427 0.137 1.00 0.00 C ATOM 211 C PHE A 17 -16.062 8.741 -0.074 1.00 0.00 C ATOM 212 O PHE A 17 -15.659 9.785 0.438 1.00 0.00 O ATOM 213 CB PHE A 17 -15.343 7.044 1.618 1.00 0.00 C ATOM 214 CG PHE A 17 -15.386 5.561 1.853 1.00 0.00 C ATOM 215 CD1 PHE A 17 -14.215 4.826 1.944 1.00 0.00 C ATOM 216 CD2 PHE A 17 -16.598 4.902 1.985 1.00 0.00 C ATOM 217 CE1 PHE A 17 -14.252 3.461 2.159 1.00 0.00 C ATOM 218 CE2 PHE A 17 -16.641 3.537 2.201 1.00 0.00 C ATOM 219 CZ PHE A 17 -15.466 2.816 2.289 1.00 0.00 C ATOM 0 H PHE A 17 -13.326 8.076 0.271 1.00 0.00 H new ATOM 0 HA PHE A 17 -15.815 6.650 -0.442 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.461 7.456 2.108 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.212 7.504 2.088 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -13.262 5.325 1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -17.520 5.461 1.918 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.332 2.899 2.225 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -17.592 3.035 2.301 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.497 1.750 2.459 1.00 0.00 H new ATOM 229 N ALA A 18 -17.152 8.680 -0.832 1.00 0.00 N ATOM 230 CA ALA A 18 -17.956 9.864 -1.110 1.00 0.00 C ATOM 231 C ALA A 18 -19.316 9.776 -0.427 1.00 0.00 C ATOM 232 O ALA A 18 -19.923 8.706 -0.364 1.00 0.00 O ATOM 233 CB ALA A 18 -18.127 10.045 -2.611 1.00 0.00 C ATOM 0 H ALA A 18 -17.498 7.824 -1.264 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.433 10.732 -0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.729 10.933 -2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -17.149 10.162 -3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.626 9.170 -3.028 1.00 0.00 H new ATOM 239 N LEU A 19 -19.791 10.907 0.083 1.00 0.00 N ATOM 240 CA LEU A 19 -21.081 10.958 0.763 1.00 0.00 C ATOM 241 C LEU A 19 -22.218 11.118 -0.240 1.00 0.00 C ATOM 242 O LEU A 19 -22.400 12.187 -0.824 1.00 0.00 O ATOM 243 CB LEU A 19 -21.105 12.112 1.767 1.00 0.00 C ATOM 244 CG LEU A 19 -21.982 11.907 3.003 1.00 0.00 C ATOM 245 CD1 LEU A 19 -21.374 10.857 3.920 1.00 0.00 C ATOM 246 CD2 LEU A 19 -22.171 13.221 3.746 1.00 0.00 C ATOM 0 H LEU A 19 -19.302 11.801 0.039 1.00 0.00 H new ATOM 0 HA LEU A 19 -21.221 10.018 1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -20.084 12.301 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.444 13.010 1.250 1.00 0.00 H new ATOM 0 HG LEU A 19 -22.960 11.553 2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -22.011 10.724 4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.290 9.911 3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -20.384 11.182 4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -22.798 13.056 4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -21.200 13.604 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -22.651 13.945 3.088 1.00 0.00 H new ATOM 258 N TYR A 20 -22.984 10.050 -0.434 1.00 0.00 N ATOM 259 CA TYR A 20 -24.104 10.072 -1.367 1.00 0.00 C ATOM 260 C TYR A 20 -24.978 11.302 -1.141 1.00 0.00 C ATOM 261 O TYR A 20 -25.116 11.779 -0.015 1.00 0.00 O ATOM 262 CB TYR A 20 -24.944 8.802 -1.218 1.00 0.00 C ATOM 263 CG TYR A 20 -25.639 8.383 -2.493 1.00 0.00 C ATOM 264 CD1 TYR A 20 -24.961 8.368 -3.706 1.00 0.00 C ATOM 265 CD2 TYR A 20 -26.975 8.000 -2.485 1.00 0.00 C ATOM 266 CE1 TYR A 20 -25.594 7.987 -4.873 1.00 0.00 C ATOM 267 CE2 TYR A 20 -27.615 7.616 -3.648 1.00 0.00 C ATOM 268 CZ TYR A 20 -26.921 7.611 -4.839 1.00 0.00 C ATOM 269 OH TYR A 20 -27.554 7.229 -6.000 1.00 0.00 O ATOM 0 H TYR A 20 -22.850 9.158 0.043 1.00 0.00 H new ATOM 0 HA TYR A 20 -23.700 10.117 -2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.301 7.989 -0.880 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -25.692 8.960 -0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -23.921 8.659 -3.737 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -27.522 8.003 -1.554 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -25.053 7.983 -5.808 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.654 7.321 -3.624 1.00 0.00 H new ATOM 0 HH TYR A 20 -28.485 6.994 -5.803 1.00 0.00 H new ATOM 279 N TRP A 21 -25.565 11.808 -2.219 1.00 0.00 N ATOM 280 CA TRP A 21 -26.426 12.983 -2.139 1.00 0.00 C ATOM 281 C TRP A 21 -27.865 12.583 -1.831 1.00 0.00 C ATOM 282 O TRP A 21 -28.744 13.436 -1.716 1.00 0.00 O ATOM 283 CB TRP A 21 -26.372 13.770 -3.449 1.00 0.00 C ATOM 284 CG TRP A 21 -26.924 13.015 -4.620 1.00 0.00 C ATOM 285 CD1 TRP A 21 -26.227 12.223 -5.487 1.00 0.00 C ATOM 286 CD2 TRP A 21 -28.289 12.982 -5.051 1.00 0.00 C ATOM 287 NE1 TRP A 21 -27.077 11.700 -6.432 1.00 0.00 N ATOM 288 CE2 TRP A 21 -28.347 12.150 -6.186 1.00 0.00 C ATOM 289 CE3 TRP A 21 -29.468 13.573 -4.589 1.00 0.00 C ATOM 290 CZ2 TRP A 21 -29.537 11.897 -6.864 1.00 0.00 C ATOM 291 CZ3 TRP A 21 -30.648 13.321 -5.262 1.00 0.00 C ATOM 292 CH2 TRP A 21 -30.676 12.489 -6.389 1.00 0.00 C ATOM 0 H TRP A 21 -25.461 11.424 -3.158 1.00 0.00 H new ATOM 0 HA TRP A 21 -26.063 13.615 -1.328 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -26.930 14.699 -3.329 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -25.338 14.044 -3.657 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -25.165 12.035 -5.437 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -26.806 11.078 -7.193 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -29.457 14.216 -3.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -29.560 11.257 -7.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -31.565 13.773 -4.913 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -31.615 12.311 -6.893 1.00 0.00 H new ATOM 303 N GLU A 22 -28.097 11.280 -1.699 1.00 0.00 N ATOM 304 CA GLU A 22 -29.431 10.769 -1.405 1.00 0.00 C ATOM 305 C GLU A 22 -29.429 9.955 -0.115 1.00 0.00 C ATOM 306 O GLU A 22 -30.484 9.662 0.449 1.00 0.00 O ATOM 307 CB GLU A 22 -29.938 9.908 -2.564 1.00 0.00 C ATOM 308 CG GLU A 22 -30.138 10.682 -3.856 1.00 0.00 C ATOM 309 CD GLU A 22 -31.028 9.951 -4.843 1.00 0.00 C ATOM 310 OE1 GLU A 22 -32.265 10.019 -4.688 1.00 0.00 O ATOM 311 OE2 GLU A 22 -30.487 9.311 -5.768 1.00 0.00 O ATOM 0 H GLU A 22 -27.380 10.561 -1.791 1.00 0.00 H new ATOM 0 HA GLU A 22 -30.099 11.621 -1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -29.230 9.099 -2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -30.883 9.447 -2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -30.576 11.654 -3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -29.168 10.869 -4.317 1.00 0.00 H new ATOM 318 N ASP A 23 -28.238 9.591 0.346 1.00 0.00 N ATOM 319 CA ASP A 23 -28.097 8.811 1.570 1.00 0.00 C ATOM 320 C ASP A 23 -27.197 9.528 2.572 1.00 0.00 C ATOM 321 O ASP A 23 -27.195 9.208 3.759 1.00 0.00 O ATOM 322 CB ASP A 23 -27.529 7.426 1.255 1.00 0.00 C ATOM 323 CG ASP A 23 -27.974 6.377 2.255 1.00 0.00 C ATOM 324 OD1 ASP A 23 -27.598 6.489 3.441 1.00 0.00 O ATOM 325 OD2 ASP A 23 -28.699 5.444 1.851 1.00 0.00 O ATOM 0 H ASP A 23 -27.356 9.824 -0.110 1.00 0.00 H new ATOM 0 HA ASP A 23 -29.086 8.697 2.014 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -27.843 7.127 0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -26.440 7.476 1.246 1.00 0.00 H new ATOM 330 N ASN A 24 -26.432 10.499 2.083 1.00 0.00 N ATOM 331 CA ASN A 24 -25.526 11.260 2.935 1.00 0.00 C ATOM 332 C ASN A 24 -24.653 10.329 3.770 1.00 0.00 C ATOM 333 O ASN A 24 -24.229 10.679 4.872 1.00 0.00 O ATOM 334 CB ASN A 24 -26.318 12.194 3.852 1.00 0.00 C ATOM 335 CG ASN A 24 -27.022 11.447 4.968 1.00 0.00 C ATOM 336 OD1 ASN A 24 -28.197 11.096 4.851 1.00 0.00 O ATOM 337 ND2 ASN A 24 -26.306 11.202 6.059 1.00 0.00 N ATOM 0 H ASN A 24 -26.422 10.777 1.102 1.00 0.00 H new ATOM 0 HA ASN A 24 -24.878 11.856 2.292 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -25.643 12.934 4.283 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -27.055 12.739 3.262 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -26.726 10.704 6.844 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -25.336 11.511 6.112 1.00 0.00 H new ATOM 344 N LYS A 25 -24.388 9.140 3.239 1.00 0.00 N ATOM 345 CA LYS A 25 -23.565 8.157 3.933 1.00 0.00 C ATOM 346 C LYS A 25 -22.252 7.926 3.191 1.00 0.00 C ATOM 347 O LYS A 25 -22.207 7.970 1.961 1.00 0.00 O ATOM 348 CB LYS A 25 -24.323 6.836 4.075 1.00 0.00 C ATOM 349 CG LYS A 25 -25.183 6.759 5.325 1.00 0.00 C ATOM 350 CD LYS A 25 -24.342 6.507 6.565 1.00 0.00 C ATOM 351 CE LYS A 25 -25.123 6.802 7.837 1.00 0.00 C ATOM 352 NZ LYS A 25 -24.302 6.574 9.058 1.00 0.00 N ATOM 0 H LYS A 25 -24.732 8.834 2.329 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.337 8.546 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -24.956 6.694 3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -23.606 6.015 4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -25.738 7.689 5.444 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -25.917 5.961 5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -24.007 5.470 6.574 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -23.448 7.130 6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -25.468 7.836 7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -26.010 6.170 7.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -24.870 6.786 9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -23.993 5.581 9.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -23.468 7.195 9.037 1.00 0.00 H new ATOM 366 N PHE A 26 -21.187 7.678 3.946 1.00 0.00 N ATOM 367 CA PHE A 26 -19.874 7.439 3.359 1.00 0.00 C ATOM 368 C PHE A 26 -19.847 6.111 2.608 1.00 0.00 C ATOM 369 O PHE A 26 -19.960 5.043 3.210 1.00 0.00 O ATOM 370 CB PHE A 26 -18.797 7.444 4.447 1.00 0.00 C ATOM 371 CG PHE A 26 -18.415 8.823 4.905 1.00 0.00 C ATOM 372 CD1 PHE A 26 -17.939 9.760 4.002 1.00 0.00 C ATOM 373 CD2 PHE A 26 -18.532 9.182 6.238 1.00 0.00 C ATOM 374 CE1 PHE A 26 -17.585 11.029 4.421 1.00 0.00 C ATOM 375 CE2 PHE A 26 -18.181 10.449 6.662 1.00 0.00 C ATOM 376 CZ PHE A 26 -17.708 11.374 5.752 1.00 0.00 C ATOM 0 H PHE A 26 -21.207 7.637 4.965 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.669 8.241 2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -19.154 6.871 5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.909 6.936 4.071 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.843 9.496 2.959 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -18.902 8.463 6.954 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.213 11.750 3.708 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.276 10.716 7.704 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.435 12.366 6.081 1.00 0.00 H new ATOM 386 N TYR A 27 -19.698 6.186 1.290 1.00 0.00 N ATOM 387 CA TYR A 27 -19.659 4.991 0.456 1.00 0.00 C ATOM 388 C TYR A 27 -18.416 4.984 -0.429 1.00 0.00 C ATOM 389 O TYR A 27 -17.993 6.025 -0.932 1.00 0.00 O ATOM 390 CB TYR A 27 -20.916 4.909 -0.411 1.00 0.00 C ATOM 391 CG TYR A 27 -22.199 4.849 0.386 1.00 0.00 C ATOM 392 CD1 TYR A 27 -22.280 4.103 1.556 1.00 0.00 C ATOM 393 CD2 TYR A 27 -23.331 5.540 -0.029 1.00 0.00 C ATOM 394 CE1 TYR A 27 -23.450 4.045 2.287 1.00 0.00 C ATOM 395 CE2 TYR A 27 -24.506 5.489 0.697 1.00 0.00 C ATOM 396 CZ TYR A 27 -24.560 4.740 1.853 1.00 0.00 C ATOM 397 OH TYR A 27 -25.728 4.686 2.580 1.00 0.00 O ATOM 0 H TYR A 27 -19.602 7.062 0.776 1.00 0.00 H new ATOM 0 HA TYR A 27 -19.620 4.122 1.112 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -20.949 5.776 -1.071 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -20.852 4.026 -1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -21.412 3.559 1.899 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -23.292 6.127 -0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -23.496 3.459 3.193 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -25.376 6.033 0.361 1.00 0.00 H new ATOM 0 HH TYR A 27 -25.542 4.325 3.472 1.00 0.00 H new ATOM 407 N ARG A 28 -17.836 3.803 -0.613 1.00 0.00 N ATOM 408 CA ARG A 28 -16.641 3.659 -1.436 1.00 0.00 C ATOM 409 C ARG A 28 -16.840 4.309 -2.802 1.00 0.00 C ATOM 410 O ARG A 28 -17.965 4.425 -3.287 1.00 0.00 O ATOM 411 CB ARG A 28 -16.291 2.180 -1.610 1.00 0.00 C ATOM 412 CG ARG A 28 -14.963 1.946 -2.312 1.00 0.00 C ATOM 413 CD ARG A 28 -14.336 0.626 -1.894 1.00 0.00 C ATOM 414 NE ARG A 28 -14.745 -0.474 -2.763 1.00 0.00 N ATOM 415 CZ ARG A 28 -15.862 -1.171 -2.591 1.00 0.00 C ATOM 416 NH1 ARG A 28 -16.679 -0.884 -1.587 1.00 0.00 N ATOM 417 NH2 ARG A 28 -16.166 -2.158 -3.425 1.00 0.00 N ATOM 0 H ARG A 28 -18.174 2.932 -0.204 1.00 0.00 H new ATOM 0 HA ARG A 28 -15.818 4.163 -0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -16.263 1.704 -0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -17.083 1.692 -2.178 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.115 1.952 -3.391 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.280 2.763 -2.082 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.250 0.718 -1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.619 0.400 -0.866 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.139 -0.721 -3.546 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.450 -0.126 -0.944 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -17.536 -1.421 -1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.541 -2.382 -4.199 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -17.024 -2.692 -3.291 1.00 0.00 H new ATOM 431 N ALA A 29 -15.740 4.731 -3.417 1.00 0.00 N ATOM 432 CA ALA A 29 -15.793 5.368 -4.727 1.00 0.00 C ATOM 433 C ALA A 29 -14.397 5.519 -5.321 1.00 0.00 C ATOM 434 O ALA A 29 -13.415 5.049 -4.747 1.00 0.00 O ATOM 435 CB ALA A 29 -16.475 6.725 -4.627 1.00 0.00 C ATOM 0 H ALA A 29 -14.801 4.643 -3.029 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.375 4.729 -5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.508 7.189 -5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.491 6.595 -4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.916 7.364 -3.943 1.00 0.00 H new ATOM 441 N GLU A 30 -14.317 6.176 -6.474 1.00 0.00 N ATOM 442 CA GLU A 30 -13.041 6.386 -7.146 1.00 0.00 C ATOM 443 C GLU A 30 -13.008 7.744 -7.840 1.00 0.00 C ATOM 444 O GLU A 30 -13.756 7.988 -8.787 1.00 0.00 O ATOM 445 CB GLU A 30 -12.787 5.273 -8.166 1.00 0.00 C ATOM 446 CG GLU A 30 -11.326 5.129 -8.558 1.00 0.00 C ATOM 447 CD GLU A 30 -10.989 3.735 -9.050 1.00 0.00 C ATOM 448 OE1 GLU A 30 -11.639 3.269 -10.008 1.00 0.00 O ATOM 449 OE2 GLU A 30 -10.073 3.110 -8.475 1.00 0.00 O ATOM 0 H GLU A 30 -15.121 6.572 -6.962 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.255 6.364 -6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.139 4.327 -7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.377 5.470 -9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.090 5.853 -9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.698 5.369 -7.700 1.00 0.00 H new ATOM 456 N VAL A 31 -12.136 8.626 -7.362 1.00 0.00 N ATOM 457 CA VAL A 31 -12.005 9.960 -7.936 1.00 0.00 C ATOM 458 C VAL A 31 -11.935 9.899 -9.458 1.00 0.00 C ATOM 459 O VAL A 31 -10.919 9.503 -10.027 1.00 0.00 O ATOM 460 CB VAL A 31 -10.750 10.678 -7.404 1.00 0.00 C ATOM 461 CG1 VAL A 31 -10.632 12.067 -8.013 1.00 0.00 C ATOM 462 CG2 VAL A 31 -10.783 10.754 -5.885 1.00 0.00 C ATOM 0 H VAL A 31 -11.510 8.441 -6.579 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.890 10.522 -7.638 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.872 10.103 -7.697 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.740 12.559 -7.626 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.559 11.984 -9.097 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.513 12.654 -7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.889 11.264 -5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.668 11.306 -5.567 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.816 9.746 -5.471 1.00 0.00 H new ATOM 472 N GLU A 32 -13.024 10.295 -10.110 1.00 0.00 N ATOM 473 CA GLU A 32 -13.086 10.285 -11.567 1.00 0.00 C ATOM 474 C GLU A 32 -12.301 11.455 -12.153 1.00 0.00 C ATOM 475 O GLU A 32 -11.398 11.264 -12.968 1.00 0.00 O ATOM 476 CB GLU A 32 -14.541 10.346 -12.038 1.00 0.00 C ATOM 477 CG GLU A 32 -14.751 9.791 -13.437 1.00 0.00 C ATOM 478 CD GLU A 32 -13.965 10.548 -14.489 1.00 0.00 C ATOM 479 OE1 GLU A 32 -14.035 11.794 -14.501 1.00 0.00 O ATOM 480 OE2 GLU A 32 -13.278 9.892 -15.301 1.00 0.00 O ATOM 0 H GLU A 32 -13.874 10.626 -9.653 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.636 9.356 -11.918 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.164 9.790 -11.338 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.879 11.382 -12.012 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.458 8.741 -13.455 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.812 9.830 -13.684 1.00 0.00 H new ATOM 487 N ALA A 33 -12.653 12.666 -11.733 1.00 0.00 N ATOM 488 CA ALA A 33 -11.981 13.866 -12.214 1.00 0.00 C ATOM 489 C ALA A 33 -12.229 15.046 -11.280 1.00 0.00 C ATOM 490 O ALA A 33 -13.352 15.264 -10.823 1.00 0.00 O ATOM 491 CB ALA A 33 -12.444 14.201 -13.625 1.00 0.00 C ATOM 0 H ALA A 33 -13.400 12.841 -11.061 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.909 13.669 -12.232 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.934 15.100 -13.972 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.210 13.371 -14.291 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.520 14.373 -13.624 1.00 0.00 H new ATOM 497 N LEU A 34 -11.175 15.804 -11.000 1.00 0.00 N ATOM 498 CA LEU A 34 -11.279 16.963 -10.119 1.00 0.00 C ATOM 499 C LEU A 34 -11.684 18.208 -10.902 1.00 0.00 C ATOM 500 O LEU A 34 -11.652 18.218 -12.133 1.00 0.00 O ATOM 501 CB LEU A 34 -9.948 17.206 -9.406 1.00 0.00 C ATOM 502 CG LEU A 34 -9.318 15.990 -8.726 1.00 0.00 C ATOM 503 CD1 LEU A 34 -7.802 16.108 -8.718 1.00 0.00 C ATOM 504 CD2 LEU A 34 -9.851 15.836 -7.309 1.00 0.00 C ATOM 0 H LEU A 34 -10.239 15.638 -11.370 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.050 16.757 -9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.237 17.600 -10.132 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.098 17.980 -8.654 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.589 15.100 -9.293 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.372 15.234 -8.230 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.436 16.168 -9.743 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.510 17.007 -8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.392 14.966 -6.840 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.611 16.728 -6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.932 15.703 -7.339 1.00 0.00 H new ATOM 516 N HIS A 35 -12.064 19.257 -10.179 1.00 0.00 N ATOM 517 CA HIS A 35 -12.473 20.509 -10.806 1.00 0.00 C ATOM 518 C HIS A 35 -11.265 21.401 -11.076 1.00 0.00 C ATOM 519 O HIS A 35 -10.189 21.191 -10.518 1.00 0.00 O ATOM 520 CB HIS A 35 -13.477 21.244 -9.918 1.00 0.00 C ATOM 521 CG HIS A 35 -14.183 22.367 -10.614 1.00 0.00 C ATOM 522 ND1 HIS A 35 -14.600 23.511 -9.967 1.00 0.00 N ATOM 523 CD2 HIS A 35 -14.544 22.517 -11.910 1.00 0.00 C ATOM 524 CE1 HIS A 35 -15.188 24.315 -10.834 1.00 0.00 C ATOM 525 NE2 HIS A 35 -15.167 23.735 -12.021 1.00 0.00 N ATOM 0 H HIS A 35 -12.097 19.265 -9.160 1.00 0.00 H new ATOM 0 HA HIS A 35 -12.947 20.272 -11.758 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.217 20.531 -9.553 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.957 21.638 -9.045 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -14.374 21.810 -12.708 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.614 25.282 -10.611 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -15.551 24.128 -12.880 1.00 0.00 H new ATOM 534 N SER A 36 -11.452 22.397 -11.937 1.00 0.00 N ATOM 535 CA SER A 36 -10.376 23.318 -12.285 1.00 0.00 C ATOM 536 C SER A 36 -10.170 24.353 -11.183 1.00 0.00 C ATOM 537 O SER A 36 -9.179 25.083 -11.179 1.00 0.00 O ATOM 538 CB SER A 36 -10.686 24.021 -13.608 1.00 0.00 C ATOM 539 OG SER A 36 -12.046 24.414 -13.670 1.00 0.00 O ATOM 0 H SER A 36 -12.338 22.586 -12.406 1.00 0.00 H new ATOM 0 HA SER A 36 -9.458 22.741 -12.395 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.046 24.896 -13.717 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.459 23.354 -14.440 1.00 0.00 H new ATOM 0 HG SER A 36 -12.218 24.862 -14.524 1.00 0.00 H new ATOM 545 N SER A 37 -11.114 24.409 -10.248 1.00 0.00 N ATOM 546 CA SER A 37 -11.038 25.356 -9.142 1.00 0.00 C ATOM 547 C SER A 37 -10.408 24.708 -7.914 1.00 0.00 C ATOM 548 O SER A 37 -9.325 25.096 -7.480 1.00 0.00 O ATOM 549 CB SER A 37 -12.433 25.881 -8.797 1.00 0.00 C ATOM 550 OG SER A 37 -12.804 26.947 -9.654 1.00 0.00 O ATOM 0 H SER A 37 -11.940 23.810 -10.235 1.00 0.00 H new ATOM 0 HA SER A 37 -10.410 26.191 -9.453 1.00 0.00 H new ATOM 0 HB2 SER A 37 -13.160 25.073 -8.881 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.451 26.220 -7.761 1.00 0.00 H new ATOM 0 HG SER A 37 -13.700 27.263 -9.414 1.00 0.00 H new ATOM 556 N GLY A 38 -11.097 23.716 -7.357 1.00 0.00 N ATOM 557 CA GLY A 38 -10.590 23.028 -6.183 1.00 0.00 C ATOM 558 C GLY A 38 -11.619 22.941 -5.073 1.00 0.00 C ATOM 559 O GLY A 38 -11.296 23.140 -3.903 1.00 0.00 O ATOM 0 H GLY A 38 -11.997 23.377 -7.697 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.275 22.022 -6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.706 23.548 -5.815 1.00 0.00 H new ATOM 563 N MET A 39 -12.861 22.646 -5.442 1.00 0.00 N ATOM 564 CA MET A 39 -13.940 22.534 -4.467 1.00 0.00 C ATOM 565 C MET A 39 -14.658 21.195 -4.602 1.00 0.00 C ATOM 566 O MET A 39 -14.714 20.410 -3.655 1.00 0.00 O ATOM 567 CB MET A 39 -14.937 23.680 -4.645 1.00 0.00 C ATOM 568 CG MET A 39 -14.461 24.998 -4.055 1.00 0.00 C ATOM 569 SD MET A 39 -14.853 25.156 -2.302 1.00 0.00 S ATOM 570 CE MET A 39 -16.070 26.470 -2.345 1.00 0.00 C ATOM 0 H MET A 39 -13.145 22.480 -6.408 1.00 0.00 H new ATOM 0 HA MET A 39 -13.503 22.593 -3.470 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.134 23.817 -5.708 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.883 23.403 -4.179 1.00 0.00 H new ATOM 0 HG2 MET A 39 -13.383 25.084 -4.192 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.919 25.823 -4.601 1.00 0.00 H new ATOM 0 HE1 MET A 39 -16.411 26.684 -1.332 1.00 0.00 H new ATOM 0 HE2 MET A 39 -15.623 27.366 -2.774 1.00 0.00 H new ATOM 0 HE3 MET A 39 -16.918 26.160 -2.955 1.00 0.00 H new ATOM 580 N THR A 40 -15.207 20.939 -5.786 1.00 0.00 N ATOM 581 CA THR A 40 -15.922 19.696 -6.044 1.00 0.00 C ATOM 582 C THR A 40 -15.153 18.811 -7.018 1.00 0.00 C ATOM 583 O THR A 40 -14.195 19.255 -7.651 1.00 0.00 O ATOM 584 CB THR A 40 -17.328 19.964 -6.613 1.00 0.00 C ATOM 585 OG1 THR A 40 -17.237 20.812 -7.764 1.00 0.00 O ATOM 586 CG2 THR A 40 -18.220 20.616 -5.567 1.00 0.00 C ATOM 0 H THR A 40 -15.170 21.577 -6.581 1.00 0.00 H new ATOM 0 HA THR A 40 -16.017 19.182 -5.087 1.00 0.00 H new ATOM 0 HB THR A 40 -17.768 19.009 -6.899 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.135 20.976 -8.121 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.208 20.796 -5.992 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.311 19.956 -4.704 1.00 0.00 H new ATOM 0 HG23 THR A 40 -17.782 21.564 -5.255 1.00 0.00 H new ATOM 594 N ALA A 41 -15.577 17.557 -7.133 1.00 0.00 N ATOM 595 CA ALA A 41 -14.929 16.610 -8.032 1.00 0.00 C ATOM 596 C ALA A 41 -15.866 15.460 -8.386 1.00 0.00 C ATOM 597 O ALA A 41 -16.694 15.048 -7.573 1.00 0.00 O ATOM 598 CB ALA A 41 -13.650 16.078 -7.404 1.00 0.00 C ATOM 0 H ALA A 41 -16.367 17.173 -6.614 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.677 17.135 -8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.176 15.372 -8.086 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.969 16.906 -7.208 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.887 15.574 -6.467 1.00 0.00 H new ATOM 604 N VAL A 42 -15.730 14.945 -9.604 1.00 0.00 N ATOM 605 CA VAL A 42 -16.563 13.842 -10.065 1.00 0.00 C ATOM 606 C VAL A 42 -16.068 12.510 -9.513 1.00 0.00 C ATOM 607 O VAL A 42 -14.974 12.054 -9.849 1.00 0.00 O ATOM 608 CB VAL A 42 -16.595 13.767 -11.603 1.00 0.00 C ATOM 609 CG1 VAL A 42 -17.415 12.571 -12.063 1.00 0.00 C ATOM 610 CG2 VAL A 42 -17.148 15.058 -12.187 1.00 0.00 C ATOM 0 H VAL A 42 -15.050 15.275 -10.289 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.571 14.032 -9.697 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.575 13.638 -11.964 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.426 12.535 -13.152 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -16.972 11.654 -11.674 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.436 12.666 -11.693 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.164 14.988 -13.275 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.161 15.219 -11.819 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.516 15.893 -11.886 1.00 0.00 H new ATOM 620 N VAL A 43 -16.879 11.889 -8.663 1.00 0.00 N ATOM 621 CA VAL A 43 -16.524 10.607 -8.065 1.00 0.00 C ATOM 622 C VAL A 43 -17.492 9.512 -8.497 1.00 0.00 C ATOM 623 O VAL A 43 -18.705 9.720 -8.538 1.00 0.00 O ATOM 624 CB VAL A 43 -16.514 10.690 -6.527 1.00 0.00 C ATOM 625 CG1 VAL A 43 -15.435 11.652 -6.051 1.00 0.00 C ATOM 626 CG2 VAL A 43 -17.880 11.109 -6.006 1.00 0.00 C ATOM 0 H VAL A 43 -17.787 12.253 -8.373 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.522 10.361 -8.416 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.287 9.701 -6.129 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.443 11.698 -4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.460 11.303 -6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.628 12.645 -6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.854 11.162 -4.918 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -18.140 12.087 -6.411 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.627 10.378 -6.316 1.00 0.00 H new ATOM 636 N LYS A 44 -16.949 8.343 -8.818 1.00 0.00 N ATOM 637 CA LYS A 44 -17.763 7.212 -9.247 1.00 0.00 C ATOM 638 C LYS A 44 -18.017 6.254 -8.086 1.00 0.00 C ATOM 639 O LYS A 44 -17.081 5.793 -7.433 1.00 0.00 O ATOM 640 CB LYS A 44 -17.077 6.468 -10.394 1.00 0.00 C ATOM 641 CG LYS A 44 -17.984 5.481 -11.108 1.00 0.00 C ATOM 642 CD LYS A 44 -17.223 4.677 -12.150 1.00 0.00 C ATOM 643 CE LYS A 44 -17.862 3.316 -12.378 1.00 0.00 C ATOM 644 NZ LYS A 44 -17.314 2.642 -13.588 1.00 0.00 N ATOM 0 H LYS A 44 -15.947 8.154 -8.789 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.721 7.598 -9.595 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.705 7.195 -11.116 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.210 5.935 -10.003 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.431 4.804 -10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.802 6.018 -11.588 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.196 5.230 -13.089 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.190 4.546 -11.827 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.696 2.686 -11.504 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.940 3.434 -12.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.775 1.718 -13.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.495 3.231 -14.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.289 2.506 -13.475 1.00 0.00 H new ATOM 658 N PHE A 45 -19.288 5.958 -7.837 1.00 0.00 N ATOM 659 CA PHE A 45 -19.665 5.055 -6.756 1.00 0.00 C ATOM 660 C PHE A 45 -19.622 3.602 -7.221 1.00 0.00 C ATOM 661 O PHE A 45 -20.305 3.221 -8.172 1.00 0.00 O ATOM 662 CB PHE A 45 -21.066 5.396 -6.243 1.00 0.00 C ATOM 663 CG PHE A 45 -21.094 6.584 -5.324 1.00 0.00 C ATOM 664 CD1 PHE A 45 -20.590 6.493 -4.037 1.00 0.00 C ATOM 665 CD2 PHE A 45 -21.627 7.791 -5.748 1.00 0.00 C ATOM 666 CE1 PHE A 45 -20.614 7.585 -3.189 1.00 0.00 C ATOM 667 CE2 PHE A 45 -21.654 8.886 -4.904 1.00 0.00 C ATOM 668 CZ PHE A 45 -21.148 8.782 -3.623 1.00 0.00 C ATOM 0 H PHE A 45 -20.075 6.330 -8.369 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.948 5.180 -5.945 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -21.719 5.589 -7.094 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -21.473 4.531 -5.719 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -20.173 5.558 -3.692 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -22.025 7.877 -6.748 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -20.216 7.502 -2.189 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.070 9.822 -5.246 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.170 9.636 -2.962 1.00 0.00 H new ATOM 678 N THR A 46 -18.812 2.794 -6.544 1.00 0.00 N ATOM 679 CA THR A 46 -18.676 1.384 -6.887 1.00 0.00 C ATOM 680 C THR A 46 -20.010 0.657 -6.758 1.00 0.00 C ATOM 681 O THR A 46 -20.330 -0.218 -7.562 1.00 0.00 O ATOM 682 CB THR A 46 -17.634 0.686 -5.993 1.00 0.00 C ATOM 683 OG1 THR A 46 -17.144 -0.493 -6.642 1.00 0.00 O ATOM 684 CG2 THR A 46 -18.238 0.316 -4.647 1.00 0.00 C ATOM 0 H THR A 46 -18.240 3.093 -5.754 1.00 0.00 H new ATOM 0 HA THR A 46 -18.340 1.341 -7.923 1.00 0.00 H new ATOM 0 HB THR A 46 -16.809 1.378 -5.825 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.481 -0.931 -6.068 1.00 0.00 H new ATOM 0 HG21 THR A 46 -17.484 -0.176 -4.033 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.585 1.218 -4.143 1.00 0.00 H new ATOM 0 HG23 THR A 46 -19.079 -0.360 -4.799 1.00 0.00 H new ATOM 692 N ASP A 47 -20.783 1.024 -5.742 1.00 0.00 N ATOM 693 CA ASP A 47 -22.083 0.407 -5.509 1.00 0.00 C ATOM 694 C ASP A 47 -22.763 0.056 -6.828 1.00 0.00 C ATOM 695 O ASP A 47 -23.213 -1.073 -7.026 1.00 0.00 O ATOM 696 CB ASP A 47 -22.977 1.343 -4.693 1.00 0.00 C ATOM 697 CG ASP A 47 -22.222 2.036 -3.576 1.00 0.00 C ATOM 698 OD1 ASP A 47 -21.504 3.015 -3.864 1.00 0.00 O ATOM 699 OD2 ASP A 47 -22.350 1.598 -2.413 1.00 0.00 O ATOM 0 H ASP A 47 -20.532 1.746 -5.067 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.925 -0.513 -4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.412 2.093 -5.354 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -23.804 0.773 -4.270 1.00 0.00 H new ATOM 704 N TYR A 48 -22.834 1.030 -7.728 1.00 0.00 N ATOM 705 CA TYR A 48 -23.462 0.826 -9.028 1.00 0.00 C ATOM 706 C TYR A 48 -22.529 1.251 -10.157 1.00 0.00 C ATOM 707 O TYR A 48 -22.445 0.590 -11.191 1.00 0.00 O ATOM 708 CB TYR A 48 -24.774 1.609 -9.113 1.00 0.00 C ATOM 709 CG TYR A 48 -25.624 1.503 -7.867 1.00 0.00 C ATOM 710 CD1 TYR A 48 -25.448 2.382 -6.806 1.00 0.00 C ATOM 711 CD2 TYR A 48 -26.604 0.525 -7.753 1.00 0.00 C ATOM 712 CE1 TYR A 48 -26.222 2.288 -5.665 1.00 0.00 C ATOM 713 CE2 TYR A 48 -27.384 0.425 -6.617 1.00 0.00 C ATOM 714 CZ TYR A 48 -27.189 1.309 -5.576 1.00 0.00 C ATOM 715 OH TYR A 48 -27.963 1.213 -4.442 1.00 0.00 O ATOM 0 H TYR A 48 -22.464 1.969 -7.581 1.00 0.00 H new ATOM 0 HA TYR A 48 -23.674 -0.238 -9.137 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -24.549 2.659 -9.301 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -25.348 1.248 -9.966 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -24.694 3.152 -6.874 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -26.759 -0.169 -8.566 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -26.070 2.977 -4.848 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -28.142 -0.341 -6.544 1.00 0.00 H new ATOM 0 HH TYR A 48 -28.597 0.472 -4.540 1.00 0.00 H new ATOM 725 N GLY A 49 -21.827 2.361 -9.950 1.00 0.00 N ATOM 726 CA GLY A 49 -20.908 2.857 -10.957 1.00 0.00 C ATOM 727 C GLY A 49 -21.407 4.123 -11.625 1.00 0.00 C ATOM 728 O GLY A 49 -21.237 4.306 -12.829 1.00 0.00 O ATOM 0 H GLY A 49 -21.879 2.926 -9.102 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -19.939 3.051 -10.496 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.753 2.088 -11.713 1.00 0.00 H new ATOM 732 N ASN A 50 -22.026 4.999 -10.840 1.00 0.00 N ATOM 733 CA ASN A 50 -22.554 6.254 -11.363 1.00 0.00 C ATOM 734 C ASN A 50 -21.754 7.442 -10.837 1.00 0.00 C ATOM 735 O ASN A 50 -21.269 7.425 -9.706 1.00 0.00 O ATOM 736 CB ASN A 50 -24.028 6.409 -10.984 1.00 0.00 C ATOM 737 CG ASN A 50 -24.294 6.041 -9.537 1.00 0.00 C ATOM 738 OD1 ASN A 50 -24.344 4.863 -9.183 1.00 0.00 O ATOM 739 ND2 ASN A 50 -24.467 7.051 -8.692 1.00 0.00 N ATOM 0 H ASN A 50 -22.174 4.863 -9.840 1.00 0.00 H new ATOM 0 HA ASN A 50 -22.466 6.232 -12.449 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -24.339 7.439 -11.157 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -24.636 5.779 -11.634 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -24.650 6.865 -7.706 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -24.417 8.012 -9.029 1.00 0.00 H new ATOM 746 N TYR A 51 -21.622 8.472 -11.666 1.00 0.00 N ATOM 747 CA TYR A 51 -20.880 9.668 -11.285 1.00 0.00 C ATOM 748 C TYR A 51 -21.757 10.621 -10.479 1.00 0.00 C ATOM 749 O TYR A 51 -22.945 10.777 -10.763 1.00 0.00 O ATOM 750 CB TYR A 51 -20.345 10.379 -12.530 1.00 0.00 C ATOM 751 CG TYR A 51 -19.524 9.485 -13.432 1.00 0.00 C ATOM 752 CD1 TYR A 51 -18.343 8.907 -12.982 1.00 0.00 C ATOM 753 CD2 TYR A 51 -19.930 9.218 -14.733 1.00 0.00 C ATOM 754 CE1 TYR A 51 -17.590 8.090 -13.803 1.00 0.00 C ATOM 755 CE2 TYR A 51 -19.183 8.402 -15.561 1.00 0.00 C ATOM 756 CZ TYR A 51 -18.014 7.841 -15.091 1.00 0.00 C ATOM 757 OH TYR A 51 -17.267 7.027 -15.912 1.00 0.00 O ATOM 0 H TYR A 51 -22.019 8.503 -12.605 1.00 0.00 H new ATOM 0 HA TYR A 51 -20.041 9.361 -10.661 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -21.184 10.781 -13.097 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.735 11.227 -12.220 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -18.008 9.100 -11.973 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -20.845 9.656 -15.104 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -16.674 7.649 -13.438 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -19.513 8.205 -16.570 1.00 0.00 H new ATOM 0 HH TYR A 51 -17.705 6.953 -16.786 1.00 0.00 H new ATOM 767 N GLU A 52 -21.163 11.255 -9.474 1.00 0.00 N ATOM 768 CA GLU A 52 -21.890 12.193 -8.627 1.00 0.00 C ATOM 769 C GLU A 52 -20.989 13.345 -8.192 1.00 0.00 C ATOM 770 O GLU A 52 -19.871 13.129 -7.725 1.00 0.00 O ATOM 771 CB GLU A 52 -22.449 11.475 -7.396 1.00 0.00 C ATOM 772 CG GLU A 52 -23.802 10.827 -7.632 1.00 0.00 C ATOM 773 CD GLU A 52 -24.867 11.830 -8.032 1.00 0.00 C ATOM 774 OE1 GLU A 52 -24.811 12.979 -7.547 1.00 0.00 O ATOM 775 OE2 GLU A 52 -25.757 11.465 -8.828 1.00 0.00 O ATOM 0 H GLU A 52 -20.181 11.136 -9.226 1.00 0.00 H new ATOM 0 HA GLU A 52 -22.717 12.601 -9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.740 10.711 -7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.536 12.189 -6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -23.708 10.072 -8.412 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -24.117 10.311 -6.725 1.00 0.00 H new ATOM 782 N GLU A 53 -21.485 14.568 -8.349 1.00 0.00 N ATOM 783 CA GLU A 53 -20.724 15.754 -7.974 1.00 0.00 C ATOM 784 C GLU A 53 -20.716 15.939 -6.459 1.00 0.00 C ATOM 785 O GLU A 53 -21.728 16.307 -5.862 1.00 0.00 O ATOM 786 CB GLU A 53 -21.310 16.997 -8.647 1.00 0.00 C ATOM 787 CG GLU A 53 -20.461 18.245 -8.466 1.00 0.00 C ATOM 788 CD GLU A 53 -21.018 19.442 -9.211 1.00 0.00 C ATOM 789 OE1 GLU A 53 -21.288 19.313 -10.423 1.00 0.00 O ATOM 790 OE2 GLU A 53 -21.183 20.508 -8.582 1.00 0.00 O ATOM 0 H GLU A 53 -22.410 14.764 -8.733 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.697 15.617 -8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.430 16.801 -9.712 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.305 17.183 -8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.392 18.482 -7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -19.448 18.044 -8.814 1.00 0.00 H new ATOM 797 N VAL A 54 -19.567 15.681 -5.843 1.00 0.00 N ATOM 798 CA VAL A 54 -19.426 15.819 -4.398 1.00 0.00 C ATOM 799 C VAL A 54 -18.218 16.679 -4.044 1.00 0.00 C ATOM 800 O VAL A 54 -17.211 16.677 -4.753 1.00 0.00 O ATOM 801 CB VAL A 54 -19.283 14.446 -3.715 1.00 0.00 C ATOM 802 CG1 VAL A 54 -19.700 14.530 -2.255 1.00 0.00 C ATOM 803 CG2 VAL A 54 -20.101 13.396 -4.452 1.00 0.00 C ATOM 0 H VAL A 54 -18.720 15.375 -6.322 1.00 0.00 H new ATOM 0 HA VAL A 54 -20.332 16.304 -4.036 1.00 0.00 H new ATOM 0 HB VAL A 54 -18.235 14.149 -3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -19.592 13.551 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -19.067 15.250 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -20.740 14.850 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -19.988 12.432 -3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -21.152 13.685 -4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -19.750 13.317 -5.481 1.00 0.00 H new ATOM 813 N LEU A 55 -18.325 17.413 -2.942 1.00 0.00 N ATOM 814 CA LEU A 55 -17.240 18.278 -2.491 1.00 0.00 C ATOM 815 C LEU A 55 -16.047 17.455 -2.019 1.00 0.00 C ATOM 816 O LEU A 55 -16.209 16.368 -1.463 1.00 0.00 O ATOM 817 CB LEU A 55 -17.725 19.190 -1.362 1.00 0.00 C ATOM 818 CG LEU A 55 -18.411 20.486 -1.794 1.00 0.00 C ATOM 819 CD1 LEU A 55 -19.398 20.946 -0.733 1.00 0.00 C ATOM 820 CD2 LEU A 55 -17.378 21.570 -2.070 1.00 0.00 C ATOM 0 H LEU A 55 -19.151 17.427 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 55 -16.923 18.891 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.419 18.626 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.870 19.446 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.962 20.294 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -19.877 21.870 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.156 20.177 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.870 21.121 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.884 22.485 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.800 21.760 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.709 21.241 -2.866 1.00 0.00 H new ATOM 832 N LEU A 56 -14.847 17.981 -2.241 1.00 0.00 N ATOM 833 CA LEU A 56 -13.624 17.295 -1.836 1.00 0.00 C ATOM 834 C LEU A 56 -13.529 17.204 -0.317 1.00 0.00 C ATOM 835 O LEU A 56 -12.852 16.328 0.221 1.00 0.00 O ATOM 836 CB LEU A 56 -12.400 18.024 -2.392 1.00 0.00 C ATOM 837 CG LEU A 56 -12.359 18.208 -3.910 1.00 0.00 C ATOM 838 CD1 LEU A 56 -11.348 19.278 -4.291 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.031 16.891 -4.598 1.00 0.00 C ATOM 0 H LEU A 56 -14.695 18.880 -2.699 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.652 16.283 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.345 19.008 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.507 17.477 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.344 18.534 -4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.333 19.395 -5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.628 20.224 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.358 18.983 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.006 17.041 -5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.058 16.535 -4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.794 16.152 -4.352 1.00 0.00 H new ATOM 851 N SER A 57 -14.215 18.112 0.370 1.00 0.00 N ATOM 852 CA SER A 57 -14.206 18.135 1.828 1.00 0.00 C ATOM 853 C SER A 57 -15.104 17.039 2.393 1.00 0.00 C ATOM 854 O SER A 57 -15.100 16.777 3.595 1.00 0.00 O ATOM 855 CB SER A 57 -14.667 19.501 2.340 1.00 0.00 C ATOM 856 OG SER A 57 -13.654 20.478 2.168 1.00 0.00 O ATOM 0 H SER A 57 -14.784 18.841 -0.060 1.00 0.00 H new ATOM 0 HA SER A 57 -13.185 17.954 2.164 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.567 19.808 1.807 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.931 19.428 3.395 1.00 0.00 H new ATOM 0 HG SER A 57 -13.973 21.343 2.501 1.00 0.00 H new ATOM 862 N ASN A 58 -15.872 16.401 1.516 1.00 0.00 N ATOM 863 CA ASN A 58 -16.776 15.332 1.927 1.00 0.00 C ATOM 864 C ASN A 58 -16.276 13.977 1.436 1.00 0.00 C ATOM 865 O ASN A 58 -17.044 13.021 1.331 1.00 0.00 O ATOM 866 CB ASN A 58 -18.185 15.593 1.390 1.00 0.00 C ATOM 867 CG ASN A 58 -18.803 16.849 1.973 1.00 0.00 C ATOM 868 OD1 ASN A 58 -18.269 17.438 2.914 1.00 0.00 O ATOM 869 ND2 ASN A 58 -19.934 17.265 1.417 1.00 0.00 N ATOM 0 H ASN A 58 -15.887 16.605 0.517 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.806 15.315 3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.146 15.681 0.304 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.822 14.738 1.618 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.396 18.104 1.768 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.341 16.746 0.639 1.00 0.00 H new ATOM 876 N ILE A 59 -14.983 13.903 1.139 1.00 0.00 N ATOM 877 CA ILE A 59 -14.379 12.665 0.661 1.00 0.00 C ATOM 878 C ILE A 59 -13.294 12.179 1.616 1.00 0.00 C ATOM 879 O ILE A 59 -12.456 12.958 2.071 1.00 0.00 O ATOM 880 CB ILE A 59 -13.772 12.840 -0.743 1.00 0.00 C ATOM 881 CG1 ILE A 59 -14.578 13.862 -1.547 1.00 0.00 C ATOM 882 CG2 ILE A 59 -13.724 11.504 -1.470 1.00 0.00 C ATOM 883 CD1 ILE A 59 -14.122 13.996 -2.983 1.00 0.00 C ATOM 0 H ILE A 59 -14.334 14.685 1.221 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.176 11.923 0.612 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.752 13.211 -0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -15.630 13.575 -1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -14.506 14.834 -1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -13.292 11.644 -2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -13.111 10.803 -0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -14.734 11.106 -1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -14.738 14.737 -3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -13.079 14.313 -3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.220 13.035 -3.487 1.00 0.00 H new ATOM 895 N LYS A 60 -13.313 10.884 1.914 1.00 0.00 N ATOM 896 CA LYS A 60 -12.328 10.291 2.812 1.00 0.00 C ATOM 897 C LYS A 60 -11.404 9.343 2.055 1.00 0.00 C ATOM 898 O LYS A 60 -11.824 8.612 1.157 1.00 0.00 O ATOM 899 CB LYS A 60 -13.030 9.539 3.945 1.00 0.00 C ATOM 900 CG LYS A 60 -14.343 10.172 4.374 1.00 0.00 C ATOM 901 CD LYS A 60 -14.116 11.341 5.318 1.00 0.00 C ATOM 902 CE LYS A 60 -13.916 12.642 4.556 1.00 0.00 C ATOM 903 NZ LYS A 60 -14.205 13.832 5.404 1.00 0.00 N ATOM 0 H LYS A 60 -14.000 10.225 1.547 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.727 11.096 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.218 8.513 3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.362 9.489 4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.888 10.514 3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.966 9.423 4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.969 11.439 5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.242 11.144 5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.890 12.696 4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.565 12.654 3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.057 14.699 4.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.192 13.794 5.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.568 13.835 6.226 1.00 0.00 H new ATOM 917 N PRO A 61 -10.114 9.351 2.425 1.00 0.00 N ATOM 918 CA PRO A 61 -9.104 8.496 1.795 1.00 0.00 C ATOM 919 C PRO A 61 -9.295 7.023 2.140 1.00 0.00 C ATOM 920 O PRO A 61 -9.649 6.680 3.268 1.00 0.00 O ATOM 921 CB PRO A 61 -7.787 9.016 2.377 1.00 0.00 C ATOM 922 CG PRO A 61 -8.165 9.629 3.681 1.00 0.00 C ATOM 923 CD PRO A 61 -9.544 10.197 3.487 1.00 0.00 C ATOM 0 HA PRO A 61 -9.152 8.541 0.707 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.068 8.208 2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.323 9.748 1.715 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.158 8.886 4.478 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.458 10.409 3.965 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.133 10.144 4.403 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.509 11.245 3.191 1.00 0.00 H new ATOM 931 N VAL A 62 -9.057 6.155 1.162 1.00 0.00 N ATOM 932 CA VAL A 62 -9.201 4.718 1.363 1.00 0.00 C ATOM 933 C VAL A 62 -7.841 4.045 1.511 1.00 0.00 C ATOM 934 O VAL A 62 -6.928 4.289 0.723 1.00 0.00 O ATOM 935 CB VAL A 62 -9.962 4.062 0.195 1.00 0.00 C ATOM 936 CG1 VAL A 62 -10.043 2.556 0.391 1.00 0.00 C ATOM 937 CG2 VAL A 62 -11.351 4.666 0.059 1.00 0.00 C ATOM 0 H VAL A 62 -8.764 6.422 0.222 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.772 4.582 2.281 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.415 4.256 -0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.584 2.109 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.036 2.140 0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.567 2.338 1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.875 4.191 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -11.910 4.504 0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.266 5.736 -0.131 1.00 0.00 H new