USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 365 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 4 CYS SG : rot -109:sc= -1.72! USER MOD Set 1.2: A 9 CYS SG : rot -56:sc= 1.39 USER MOD Set 1.3: A 11 GLN :FLIP amide:sc= 1.14 F(o=-11,f=-6.1) USER MOD Set 1.4: A 31 HIS :FLIP no HD1:sc= -2.51! C(o=-6.3!,f=-6.1!) USER MOD Set 1.5: A 34 CYS SG : rot -149:sc= -4.34! USER MOD Set 2.1: A 22 CYS SG : rot 154:sc= 0.755 USER MOD Set 2.2: A 26 CYS SG : rot -85:sc= 0.238 USER MOD Set 2.3: A 49 CYS SG : rot -22:sc= 0.362 USER MOD Set 2.4: A 52 CYS SG : rot -126:sc= 0.639 USER MOD Set 3.1: A 21 GLN :FLIP amide:sc= -0.6 F(o=-1.7,f=-0.95) USER MOD Set 3.2: A 27 ASN : amide:sc= -0.353 K(o=-0.95,f=-5.6!) USER MOD Single : A 8 SER OG : rot 48:sc= 0.261 USER MOD Single : A 25 SER OG : rot -38:sc= 0.456 USER MOD Single : A 28 GLN : amide:sc= 0.0454 K(o=0.045,f=-2.7!) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.378 F(o=-2!,f=-0.38) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -145:sc= 0.106 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 48 N CYS A 4 7.342 -4.064 -6.454 1.00 0.00 N ATOM 49 CA CYS A 4 8.114 -3.235 -7.400 1.00 0.00 C ATOM 50 C CYS A 4 8.839 -2.064 -6.681 1.00 0.00 C ATOM 51 O CYS A 4 8.314 -0.941 -6.627 1.00 0.00 O ATOM 52 CB CYS A 4 7.188 -2.709 -8.518 1.00 0.00 C ATOM 53 SG CYS A 4 7.978 -1.498 -9.610 1.00 0.00 S ATOM 0 HA CYS A 4 8.886 -3.862 -7.847 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.840 -3.552 -9.116 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.307 -2.255 -8.064 1.00 0.00 H new ATOM 0 HG CYS A 4 7.478 -0.319 -9.385 1.00 0.00 H new ATOM 58 N PRO A 5 10.063 -2.302 -6.099 1.00 0.00 N ATOM 59 CA PRO A 5 10.934 -1.230 -5.534 1.00 0.00 C ATOM 60 C PRO A 5 11.741 -0.469 -6.621 1.00 0.00 C ATOM 61 O PRO A 5 12.945 -0.231 -6.461 1.00 0.00 O ATOM 62 CB PRO A 5 11.867 -2.011 -4.543 1.00 0.00 C ATOM 63 CG PRO A 5 11.337 -3.415 -4.516 1.00 0.00 C ATOM 64 CD PRO A 5 10.671 -3.621 -5.856 1.00 0.00 C ATOM 0 HA PRO A 5 10.358 -0.442 -5.049 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.903 -1.989 -4.880 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.845 -1.564 -3.549 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.141 -4.135 -4.363 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.627 -3.551 -3.700 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.388 -3.889 -6.632 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.925 -4.415 -5.824 1.00 0.00 H new ATOM 72 N ALA A 6 11.062 -0.085 -7.723 1.00 0.00 N ATOM 73 CA ALA A 6 11.634 0.812 -8.747 1.00 0.00 C ATOM 74 C ALA A 6 11.573 2.255 -8.214 1.00 0.00 C ATOM 75 O ALA A 6 10.514 2.688 -7.748 1.00 0.00 O ATOM 76 CB ALA A 6 10.863 0.682 -10.080 1.00 0.00 C ATOM 0 H ALA A 6 10.109 -0.386 -7.926 1.00 0.00 H new ATOM 0 HA ALA A 6 12.670 0.537 -8.945 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.301 1.351 -10.820 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.926 -0.346 -10.438 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.818 0.948 -9.923 1.00 0.00 H new ATOM 82 N VAL A 7 12.706 2.985 -8.271 1.00 0.00 N ATOM 83 CA VAL A 7 12.809 4.353 -7.708 1.00 0.00 C ATOM 84 C VAL A 7 11.860 5.324 -8.453 1.00 0.00 C ATOM 85 O VAL A 7 11.238 6.199 -7.835 1.00 0.00 O ATOM 86 CB VAL A 7 14.294 4.874 -7.737 1.00 0.00 C ATOM 87 CG1 VAL A 7 14.429 6.279 -7.087 1.00 0.00 C ATOM 88 CG2 VAL A 7 15.247 3.861 -7.051 1.00 0.00 C ATOM 0 H VAL A 7 13.568 2.651 -8.703 1.00 0.00 H new ATOM 0 HA VAL A 7 12.499 4.311 -6.664 1.00 0.00 H new ATOM 0 HB VAL A 7 14.582 4.969 -8.784 1.00 0.00 H new ATOM 0 HG11 VAL A 7 15.470 6.601 -7.128 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.807 6.992 -7.629 1.00 0.00 H new ATOM 0 HG13 VAL A 7 14.105 6.232 -6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.268 4.242 -7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.944 3.722 -6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.200 2.906 -7.574 1.00 0.00 H new ATOM 98 N SER A 8 11.735 5.139 -9.781 1.00 0.00 N ATOM 99 CA SER A 8 10.719 5.824 -10.600 1.00 0.00 C ATOM 100 C SER A 8 9.511 4.887 -10.789 1.00 0.00 C ATOM 101 O SER A 8 9.283 4.333 -11.878 1.00 0.00 O ATOM 102 CB SER A 8 11.332 6.260 -11.957 1.00 0.00 C ATOM 103 OG SER A 8 11.892 5.155 -12.656 1.00 0.00 O ATOM 0 H SER A 8 12.335 4.511 -10.315 1.00 0.00 H new ATOM 0 HA SER A 8 10.376 6.728 -10.096 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.563 6.728 -12.571 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.103 7.011 -11.784 1.00 0.00 H new ATOM 0 HG SER A 8 11.249 4.415 -12.667 1.00 0.00 H new ATOM 109 N CYS A 9 8.759 4.652 -9.694 1.00 0.00 N ATOM 110 CA CYS A 9 7.611 3.735 -9.728 1.00 0.00 C ATOM 111 C CYS A 9 6.362 4.462 -10.240 1.00 0.00 C ATOM 112 O CYS A 9 5.513 4.897 -9.458 1.00 0.00 O ATOM 113 CB CYS A 9 7.340 3.054 -8.367 1.00 0.00 C ATOM 114 SG CYS A 9 6.142 1.695 -8.505 1.00 0.00 S ATOM 0 H CYS A 9 8.927 5.082 -8.785 1.00 0.00 H new ATOM 0 HA CYS A 9 7.865 2.934 -10.422 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.276 2.671 -7.962 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.966 3.795 -7.660 1.00 0.00 H new ATOM 0 HG CYS A 9 5.039 2.141 -9.028 1.00 0.00 H new ATOM 119 N LEU A 10 6.289 4.624 -11.576 1.00 0.00 N ATOM 120 CA LEU A 10 5.101 5.157 -12.263 1.00 0.00 C ATOM 121 C LEU A 10 3.904 4.245 -11.976 1.00 0.00 C ATOM 122 O LEU A 10 4.071 3.024 -11.943 1.00 0.00 O ATOM 123 CB LEU A 10 5.343 5.245 -13.798 1.00 0.00 C ATOM 124 CG LEU A 10 6.584 6.081 -14.252 1.00 0.00 C ATOM 125 CD1 LEU A 10 6.709 6.107 -15.795 1.00 0.00 C ATOM 126 CD2 LEU A 10 6.541 7.519 -13.664 1.00 0.00 C ATOM 0 H LEU A 10 7.054 4.388 -12.208 1.00 0.00 H new ATOM 0 HA LEU A 10 4.899 6.162 -11.892 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.451 4.232 -14.187 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.454 5.672 -14.262 1.00 0.00 H new ATOM 0 HG LEU A 10 7.474 5.591 -13.858 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.581 6.696 -16.080 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.821 5.089 -16.168 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.813 6.555 -16.225 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.417 8.075 -13.998 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.638 8.025 -14.006 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.538 7.467 -12.575 1.00 0.00 H new ATOM 138 N GLN A 11 2.726 4.836 -11.747 1.00 0.00 N ATOM 139 CA GLN A 11 1.488 4.107 -11.394 1.00 0.00 C ATOM 140 C GLN A 11 0.450 4.241 -12.541 1.00 0.00 C ATOM 141 O GLN A 11 -0.435 5.108 -12.487 1.00 0.00 O ATOM 142 CB GLN A 11 0.922 4.660 -10.043 1.00 0.00 C ATOM 143 CG GLN A 11 1.883 4.567 -8.838 1.00 0.00 C ATOM 144 CD GLN A 11 2.259 3.131 -8.462 1.00 0.00 C ATOM 145 OE1 GLN A 11 3.354 2.620 -9.009 1.00 0.00 O flip ATOM 146 NE2 GLN A 11 1.577 2.489 -7.676 1.00 0.00 N flip ATOM 0 H GLN A 11 2.597 5.846 -11.801 1.00 0.00 H new ATOM 0 HA GLN A 11 1.708 3.047 -11.264 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.644 5.704 -10.185 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.009 4.117 -9.801 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.792 5.124 -9.065 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.420 5.050 -7.977 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.739 2.905 -7.269 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.846 1.537 -7.427 1.00 0.00 H new ATOM 155 N PRO A 12 0.584 3.423 -13.638 1.00 0.00 N ATOM 156 CA PRO A 12 -0.341 3.453 -14.790 1.00 0.00 C ATOM 157 C PRO A 12 -1.589 2.556 -14.598 1.00 0.00 C ATOM 158 O PRO A 12 -1.508 1.465 -14.012 1.00 0.00 O ATOM 159 CB PRO A 12 0.558 2.928 -15.929 1.00 0.00 C ATOM 160 CG PRO A 12 1.415 1.899 -15.260 1.00 0.00 C ATOM 161 CD PRO A 12 1.674 2.432 -13.866 1.00 0.00 C ATOM 0 HA PRO A 12 -0.765 4.442 -14.964 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.032 2.494 -16.737 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.158 3.726 -16.366 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.912 0.933 -15.223 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.348 1.752 -15.804 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.647 1.634 -13.124 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.656 2.899 -13.796 1.00 0.00 H new ATOM 169 N GLU A 13 -2.736 3.043 -15.095 1.00 0.00 N ATOM 170 CA GLU A 13 -3.992 2.274 -15.165 1.00 0.00 C ATOM 171 C GLU A 13 -4.080 1.555 -16.524 1.00 0.00 C ATOM 172 O GLU A 13 -3.368 1.914 -17.477 1.00 0.00 O ATOM 173 CB GLU A 13 -5.215 3.217 -14.967 1.00 0.00 C ATOM 174 CG GLU A 13 -5.313 4.367 -15.987 1.00 0.00 C ATOM 175 CD GLU A 13 -6.571 5.235 -15.805 1.00 0.00 C ATOM 176 OE1 GLU A 13 -6.561 6.136 -14.937 1.00 0.00 O ATOM 177 OE2 GLU A 13 -7.587 4.992 -16.501 1.00 0.00 O ATOM 0 H GLU A 13 -2.821 3.990 -15.464 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.002 1.530 -14.368 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.127 2.623 -15.021 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.170 3.642 -13.964 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.429 4.998 -15.899 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.309 3.951 -16.995 1.00 0.00 H new ATOM 184 N GLY A 14 -4.970 0.551 -16.605 1.00 0.00 N ATOM 185 CA GLY A 14 -5.136 -0.259 -17.812 1.00 0.00 C ATOM 186 C GLY A 14 -4.244 -1.501 -17.795 1.00 0.00 C ATOM 187 O GLY A 14 -3.193 -1.515 -17.148 1.00 0.00 O ATOM 0 H GLY A 14 -5.588 0.284 -15.839 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.179 -0.563 -17.904 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.901 0.344 -18.689 1.00 0.00 H new ATOM 191 N ASP A 15 -4.682 -2.553 -18.500 1.00 0.00 N ATOM 192 CA ASP A 15 -3.951 -3.836 -18.609 1.00 0.00 C ATOM 193 C ASP A 15 -2.849 -3.782 -19.692 1.00 0.00 C ATOM 194 O ASP A 15 -1.953 -4.636 -19.698 1.00 0.00 O ATOM 195 CB ASP A 15 -4.952 -4.990 -18.911 1.00 0.00 C ATOM 196 CG ASP A 15 -5.810 -4.738 -20.172 1.00 0.00 C ATOM 197 OD1 ASP A 15 -6.836 -4.025 -20.066 1.00 0.00 O ATOM 198 OD2 ASP A 15 -5.454 -5.217 -21.272 1.00 0.00 O ATOM 0 H ASP A 15 -5.561 -2.544 -19.018 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.458 -4.022 -17.655 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.397 -5.920 -19.037 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.610 -5.125 -18.053 1.00 0.00 H new ATOM 203 N GLU A 16 -2.924 -2.766 -20.589 1.00 0.00 N ATOM 204 CA GLU A 16 -2.009 -2.605 -21.751 1.00 0.00 C ATOM 205 C GLU A 16 -0.528 -2.508 -21.314 1.00 0.00 C ATOM 206 O GLU A 16 0.368 -2.996 -22.014 1.00 0.00 O ATOM 207 CB GLU A 16 -2.410 -1.351 -22.583 1.00 0.00 C ATOM 208 CG GLU A 16 -3.844 -1.392 -23.160 1.00 0.00 C ATOM 209 CD GLU A 16 -4.207 -0.135 -23.977 1.00 0.00 C ATOM 210 OE1 GLU A 16 -3.756 -0.020 -25.140 1.00 0.00 O ATOM 211 OE2 GLU A 16 -4.922 0.750 -23.460 1.00 0.00 O ATOM 0 H GLU A 16 -3.626 -2.029 -20.527 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.108 -3.496 -22.372 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.311 -0.467 -21.953 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.705 -1.237 -23.406 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.948 -2.272 -23.794 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.555 -1.503 -22.341 1.00 0.00 H new ATOM 218 N VAL A 17 -0.295 -1.865 -20.157 1.00 0.00 N ATOM 219 CA VAL A 17 1.027 -1.819 -19.508 1.00 0.00 C ATOM 220 C VAL A 17 1.363 -3.190 -18.878 1.00 0.00 C ATOM 221 O VAL A 17 1.143 -3.448 -17.684 1.00 0.00 O ATOM 222 CB VAL A 17 1.121 -0.653 -18.457 1.00 0.00 C ATOM 223 CG1 VAL A 17 1.157 0.723 -19.164 1.00 0.00 C ATOM 224 CG2 VAL A 17 -0.047 -0.725 -17.440 1.00 0.00 C ATOM 0 H VAL A 17 -1.019 -1.362 -19.644 1.00 0.00 H new ATOM 0 HA VAL A 17 1.774 -1.606 -20.273 1.00 0.00 H new ATOM 0 HB VAL A 17 2.052 -0.772 -17.904 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.222 1.514 -18.417 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.025 0.772 -19.821 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.249 0.853 -19.753 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.042 0.093 -16.725 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.996 -0.642 -17.969 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.010 -1.677 -16.910 1.00 0.00 H new ATOM 234 N ASP A 18 1.883 -4.068 -19.728 1.00 0.00 N ATOM 235 CA ASP A 18 2.204 -5.464 -19.376 1.00 0.00 C ATOM 236 C ASP A 18 3.401 -5.518 -18.405 1.00 0.00 C ATOM 237 O ASP A 18 4.354 -4.746 -18.543 1.00 0.00 O ATOM 238 CB ASP A 18 2.500 -6.284 -20.659 1.00 0.00 C ATOM 239 CG ASP A 18 2.723 -7.782 -20.381 1.00 0.00 C ATOM 240 OD1 ASP A 18 1.742 -8.468 -20.026 1.00 0.00 O ATOM 241 OD2 ASP A 18 3.862 -8.280 -20.523 1.00 0.00 O ATOM 0 H ASP A 18 2.100 -3.836 -20.697 1.00 0.00 H new ATOM 0 HA ASP A 18 1.342 -5.904 -18.874 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.669 -6.170 -21.356 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.385 -5.876 -21.148 1.00 0.00 H new ATOM 246 N TRP A 19 3.336 -6.428 -17.421 1.00 0.00 N ATOM 247 CA TRP A 19 4.361 -6.540 -16.372 1.00 0.00 C ATOM 248 C TRP A 19 5.431 -7.562 -16.761 1.00 0.00 C ATOM 249 O TRP A 19 5.182 -8.480 -17.551 1.00 0.00 O ATOM 250 CB TRP A 19 3.734 -6.934 -15.003 1.00 0.00 C ATOM 251 CG TRP A 19 2.526 -6.114 -14.603 1.00 0.00 C ATOM 252 CD1 TRP A 19 2.342 -4.761 -14.730 1.00 0.00 C ATOM 253 CD2 TRP A 19 1.339 -6.622 -13.990 1.00 0.00 C ATOM 254 NE1 TRP A 19 1.107 -4.409 -14.246 1.00 0.00 N ATOM 255 CE2 TRP A 19 0.473 -5.534 -13.784 1.00 0.00 C ATOM 256 CE3 TRP A 19 0.929 -7.902 -13.600 1.00 0.00 C ATOM 257 CZ2 TRP A 19 -0.785 -5.691 -13.210 1.00 0.00 C ATOM 258 CZ3 TRP A 19 -0.314 -8.058 -13.028 1.00 0.00 C ATOM 259 CH2 TRP A 19 -1.160 -6.958 -12.837 1.00 0.00 C ATOM 0 H TRP A 19 2.577 -7.103 -17.330 1.00 0.00 H new ATOM 0 HA TRP A 19 4.826 -5.559 -16.270 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.447 -7.985 -15.039 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.495 -6.837 -14.229 1.00 0.00 H new ATOM 0 HD1 TRP A 19 3.062 -4.074 -15.149 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.723 -3.464 -14.232 1.00 0.00 H new ATOM 0 HE3 TRP A 19 1.577 -8.754 -13.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -1.442 -4.847 -13.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -0.641 -9.041 -12.723 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -2.129 -7.110 -12.386 1.00 0.00 H new ATOM 270 N VAL A 20 6.615 -7.395 -16.167 1.00 0.00 N ATOM 271 CA VAL A 20 7.774 -8.244 -16.412 1.00 0.00 C ATOM 272 C VAL A 20 8.486 -8.555 -15.076 1.00 0.00 C ATOM 273 O VAL A 20 8.794 -7.651 -14.292 1.00 0.00 O ATOM 274 CB VAL A 20 8.758 -7.576 -17.451 1.00 0.00 C ATOM 275 CG1 VAL A 20 9.243 -6.163 -17.003 1.00 0.00 C ATOM 276 CG2 VAL A 20 9.942 -8.516 -17.767 1.00 0.00 C ATOM 0 H VAL A 20 6.794 -6.652 -15.491 1.00 0.00 H new ATOM 0 HA VAL A 20 7.437 -9.184 -16.850 1.00 0.00 H new ATOM 0 HB VAL A 20 8.194 -7.420 -18.370 1.00 0.00 H new ATOM 0 HG11 VAL A 20 9.916 -5.754 -17.756 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.383 -5.503 -16.888 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.769 -6.244 -16.052 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.607 -8.035 -18.485 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.491 -8.730 -16.850 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.565 -9.447 -18.189 1.00 0.00 H new ATOM 286 N GLN A 21 8.694 -9.854 -14.822 1.00 0.00 N ATOM 287 CA GLN A 21 9.377 -10.361 -13.624 1.00 0.00 C ATOM 288 C GLN A 21 10.901 -10.178 -13.776 1.00 0.00 C ATOM 289 O GLN A 21 11.468 -10.556 -14.805 1.00 0.00 O ATOM 290 CB GLN A 21 9.010 -11.863 -13.440 1.00 0.00 C ATOM 291 CG GLN A 21 9.620 -12.559 -12.202 1.00 0.00 C ATOM 292 CD GLN A 21 9.343 -14.069 -12.147 1.00 0.00 C ATOM 293 OE1 GLN A 21 9.247 -14.625 -10.949 1.00 0.00 O flip ATOM 294 NE2 GLN A 21 9.210 -14.724 -13.177 1.00 0.00 N flip ATOM 0 H GLN A 21 8.387 -10.594 -15.453 1.00 0.00 H new ATOM 0 HA GLN A 21 9.058 -9.806 -12.742 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.925 -11.948 -13.383 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.326 -12.406 -14.331 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.698 -12.395 -12.198 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.223 -12.092 -11.301 1.00 0.00 H new ATOM 0 HE21 GLN A 21 9.289 -14.267 -14.086 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.020 -15.725 -13.124 1.00 0.00 H new ATOM 303 N CYS A 22 11.549 -9.575 -12.759 1.00 0.00 N ATOM 304 CA CYS A 22 13.024 -9.427 -12.716 1.00 0.00 C ATOM 305 C CYS A 22 13.720 -10.795 -12.669 1.00 0.00 C ATOM 306 O CYS A 22 14.797 -10.960 -13.245 1.00 0.00 O ATOM 307 CB CYS A 22 13.468 -8.613 -11.486 1.00 0.00 C ATOM 308 SG CYS A 22 15.279 -8.380 -11.375 1.00 0.00 S ATOM 0 H CYS A 22 11.072 -9.179 -11.949 1.00 0.00 H new ATOM 0 HA CYS A 22 13.312 -8.901 -13.626 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.986 -7.636 -11.514 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.119 -9.115 -10.584 1.00 0.00 H new ATOM 0 HG CYS A 22 15.537 -7.302 -10.696 1.00 0.00 H new ATOM 313 N ASP A 23 13.081 -11.739 -11.933 1.00 0.00 N ATOM 314 CA ASP A 23 13.543 -13.128 -11.717 1.00 0.00 C ATOM 315 C ASP A 23 14.811 -13.167 -10.820 1.00 0.00 C ATOM 316 O ASP A 23 14.710 -13.515 -9.631 1.00 0.00 O ATOM 317 CB ASP A 23 13.750 -13.884 -13.066 1.00 0.00 C ATOM 318 CG ASP A 23 14.240 -15.333 -12.880 1.00 0.00 C ATOM 319 OD1 ASP A 23 13.416 -16.215 -12.549 1.00 0.00 O ATOM 320 OD2 ASP A 23 15.455 -15.589 -13.040 1.00 0.00 O ATOM 0 H ASP A 23 12.199 -11.544 -11.458 1.00 0.00 H new ATOM 0 HA ASP A 23 12.756 -13.659 -11.181 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.810 -13.893 -13.618 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.472 -13.338 -13.674 1.00 0.00 H new ATOM 325 N GLY A 24 15.959 -12.741 -11.396 1.00 0.00 N ATOM 326 CA GLY A 24 17.299 -12.836 -10.779 1.00 0.00 C ATOM 327 C GLY A 24 17.398 -12.379 -9.318 1.00 0.00 C ATOM 328 O GLY A 24 17.534 -11.190 -9.052 1.00 0.00 O ATOM 0 H GLY A 24 15.978 -12.313 -12.322 1.00 0.00 H new ATOM 0 HA2 GLY A 24 17.633 -13.872 -10.839 1.00 0.00 H new ATOM 0 HA3 GLY A 24 17.994 -12.243 -11.373 1.00 0.00 H new ATOM 332 N SER A 25 17.198 -13.333 -8.388 1.00 0.00 N ATOM 333 CA SER A 25 17.601 -13.241 -6.965 1.00 0.00 C ATOM 334 C SER A 25 16.754 -12.225 -6.164 1.00 0.00 C ATOM 335 O SER A 25 17.083 -11.904 -5.010 1.00 0.00 O ATOM 336 CB SER A 25 19.126 -12.946 -6.863 1.00 0.00 C ATOM 337 OG SER A 25 19.608 -13.073 -5.528 1.00 0.00 O ATOM 0 H SER A 25 16.738 -14.216 -8.609 1.00 0.00 H new ATOM 0 HA SER A 25 17.404 -14.207 -6.501 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.672 -13.631 -7.512 1.00 0.00 H new ATOM 0 HB3 SER A 25 19.325 -11.937 -7.225 1.00 0.00 H new ATOM 0 HG SER A 25 18.936 -12.728 -4.903 1.00 0.00 H new ATOM 343 N CYS A 26 15.631 -11.761 -6.757 1.00 0.00 N ATOM 344 CA CYS A 26 14.798 -10.708 -6.137 1.00 0.00 C ATOM 345 C CYS A 26 13.353 -10.783 -6.629 1.00 0.00 C ATOM 346 O CYS A 26 12.453 -10.352 -5.907 1.00 0.00 O ATOM 347 CB CYS A 26 15.419 -9.305 -6.393 1.00 0.00 C ATOM 348 SG CYS A 26 14.612 -8.273 -7.670 1.00 0.00 S ATOM 0 H CYS A 26 15.284 -12.096 -7.656 1.00 0.00 H new ATOM 0 HA CYS A 26 14.778 -10.875 -5.060 1.00 0.00 H new ATOM 0 HB2 CYS A 26 15.411 -8.752 -5.453 1.00 0.00 H new ATOM 0 HB3 CYS A 26 16.463 -9.441 -6.674 1.00 0.00 H new ATOM 0 HG CYS A 26 15.089 -8.579 -8.840 1.00 0.00 H new ATOM 353 N ASN A 27 13.164 -11.280 -7.885 1.00 0.00 N ATOM 354 CA ASN A 27 11.841 -11.637 -8.482 1.00 0.00 C ATOM 355 C ASN A 27 11.096 -10.386 -9.005 1.00 0.00 C ATOM 356 O ASN A 27 10.812 -10.311 -10.197 1.00 0.00 O ATOM 357 CB ASN A 27 10.964 -12.464 -7.473 1.00 0.00 C ATOM 358 CG ASN A 27 9.617 -12.985 -8.007 1.00 0.00 C ATOM 359 OD1 ASN A 27 8.956 -12.379 -8.845 1.00 0.00 O ATOM 360 ND2 ASN A 27 9.187 -14.123 -7.493 1.00 0.00 N ATOM 0 H ASN A 27 13.941 -11.447 -8.524 1.00 0.00 H new ATOM 0 HA ASN A 27 12.030 -12.276 -9.344 1.00 0.00 H new ATOM 0 HB2 ASN A 27 11.549 -13.317 -7.131 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.768 -11.841 -6.600 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.292 -14.512 -7.792 1.00 0.00 H new ATOM 0 HD22 ASN A 27 9.749 -14.613 -6.798 1.00 0.00 H new ATOM 367 N GLN A 28 10.832 -9.445 -8.079 1.00 0.00 N ATOM 368 CA GLN A 28 10.020 -8.200 -8.210 1.00 0.00 C ATOM 369 C GLN A 28 9.459 -7.869 -9.622 1.00 0.00 C ATOM 370 O GLN A 28 10.221 -7.596 -10.567 1.00 0.00 O ATOM 371 CB GLN A 28 10.832 -6.999 -7.651 1.00 0.00 C ATOM 372 CG GLN A 28 11.315 -7.180 -6.192 1.00 0.00 C ATOM 373 CD GLN A 28 10.189 -7.507 -5.189 1.00 0.00 C ATOM 374 OE1 GLN A 28 9.550 -6.610 -4.643 1.00 0.00 O ATOM 375 NE2 GLN A 28 9.964 -8.793 -4.922 1.00 0.00 N ATOM 0 H GLN A 28 11.209 -9.535 -7.136 1.00 0.00 H new ATOM 0 HA GLN A 28 9.121 -8.393 -7.624 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.699 -6.833 -8.290 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.217 -6.101 -7.709 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.056 -7.979 -6.163 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.818 -6.268 -5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.511 -9.515 -5.392 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.245 -9.056 -4.248 1.00 0.00 H new ATOM 384 N TRP A 29 8.119 -7.896 -9.718 1.00 0.00 N ATOM 385 CA TRP A 29 7.377 -7.631 -10.957 1.00 0.00 C ATOM 386 C TRP A 29 7.277 -6.121 -11.201 1.00 0.00 C ATOM 387 O TRP A 29 6.681 -5.379 -10.409 1.00 0.00 O ATOM 388 CB TRP A 29 5.965 -8.270 -10.883 1.00 0.00 C ATOM 389 CG TRP A 29 5.966 -9.778 -10.932 1.00 0.00 C ATOM 390 CD1 TRP A 29 6.658 -10.628 -10.114 1.00 0.00 C ATOM 391 CD2 TRP A 29 5.220 -10.606 -11.830 1.00 0.00 C ATOM 392 NE1 TRP A 29 6.416 -11.927 -10.471 1.00 0.00 N ATOM 393 CE2 TRP A 29 5.532 -11.941 -11.516 1.00 0.00 C ATOM 394 CE3 TRP A 29 4.331 -10.344 -12.879 1.00 0.00 C ATOM 395 CZ2 TRP A 29 4.983 -13.011 -12.211 1.00 0.00 C ATOM 396 CZ3 TRP A 29 3.779 -11.407 -13.562 1.00 0.00 C ATOM 397 CH2 TRP A 29 4.110 -12.726 -13.229 1.00 0.00 C ATOM 0 H TRP A 29 7.514 -8.106 -8.924 1.00 0.00 H new ATOM 0 HA TRP A 29 7.914 -8.079 -11.793 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.480 -7.948 -9.961 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.363 -7.891 -11.709 1.00 0.00 H new ATOM 0 HD1 TRP A 29 7.302 -10.319 -9.304 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.827 -12.750 -10.030 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.082 -9.328 -13.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.235 -14.030 -11.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 3.082 -11.220 -14.365 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.667 -13.538 -13.787 1.00 0.00 H new ATOM 408 N PHE A 30 7.885 -5.686 -12.301 1.00 0.00 N ATOM 409 CA PHE A 30 7.879 -4.291 -12.751 1.00 0.00 C ATOM 410 C PHE A 30 6.848 -4.114 -13.871 1.00 0.00 C ATOM 411 O PHE A 30 6.392 -5.085 -14.447 1.00 0.00 O ATOM 412 CB PHE A 30 9.288 -3.899 -13.242 1.00 0.00 C ATOM 413 CG PHE A 30 10.383 -4.093 -12.190 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.344 -3.382 -10.985 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.434 -4.980 -12.393 1.00 0.00 C ATOM 416 CE1 PHE A 30 11.328 -3.548 -10.028 1.00 0.00 C ATOM 417 CE2 PHE A 30 12.418 -5.141 -11.438 1.00 0.00 C ATOM 418 CZ PHE A 30 12.362 -4.431 -10.251 1.00 0.00 C ATOM 0 H PHE A 30 8.408 -6.305 -12.920 1.00 0.00 H new ATOM 0 HA PHE A 30 7.605 -3.640 -11.921 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.534 -4.492 -14.123 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.277 -2.855 -13.554 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.533 -2.693 -10.800 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.481 -5.550 -13.309 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.286 -2.986 -9.107 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.235 -5.824 -11.618 1.00 0.00 H new ATOM 0 HZ PHE A 30 13.127 -4.569 -9.501 1.00 0.00 H new ATOM 428 N HIS A 31 6.494 -2.860 -14.179 1.00 0.00 N ATOM 429 CA HIS A 31 5.466 -2.526 -15.184 1.00 0.00 C ATOM 430 C HIS A 31 6.225 -1.989 -16.403 1.00 0.00 C ATOM 431 O HIS A 31 7.267 -1.341 -16.227 1.00 0.00 O ATOM 432 CB HIS A 31 4.386 -1.463 -14.688 1.00 0.00 C ATOM 433 CG HIS A 31 4.305 -1.153 -13.197 1.00 0.00 C ATOM 434 ND1 HIS A 31 5.163 -1.402 -12.202 1.00 0.00 N flip ATOM 435 CD2 HIS A 31 3.426 -0.227 -12.685 1.00 0.00 C flip ATOM 436 CE1 HIS A 31 4.928 -0.608 -11.108 1.00 0.00 C flip ATOM 437 NE2 HIS A 31 3.840 0.079 -11.444 1.00 0.00 N flip ATOM 0 H HIS A 31 6.913 -2.041 -13.738 1.00 0.00 H new ATOM 0 HA HIS A 31 4.884 -3.420 -15.407 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.577 -0.526 -15.212 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.405 -1.813 -15.008 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.561 0.180 -13.188 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.494 -0.554 -10.190 1.00 0.00 H new ATOM 0 HE2 HIS A 31 3.377 0.754 -10.835 1.00 0.00 H new ATOM 445 N GLN A 32 5.666 -2.213 -17.594 1.00 0.00 N ATOM 446 CA GLN A 32 6.289 -1.880 -18.893 1.00 0.00 C ATOM 447 C GLN A 32 6.858 -0.438 -18.930 1.00 0.00 C ATOM 448 O GLN A 32 8.028 -0.225 -19.262 1.00 0.00 O ATOM 449 CB GLN A 32 5.217 -2.095 -20.016 1.00 0.00 C ATOM 450 CG GLN A 32 5.780 -2.600 -21.345 1.00 0.00 C ATOM 451 CD GLN A 32 4.708 -2.876 -22.396 1.00 0.00 C ATOM 452 OE1 GLN A 32 4.241 -4.113 -22.464 1.00 0.00 O flip ATOM 453 NE2 GLN A 32 4.325 -1.992 -23.155 1.00 0.00 N flip ATOM 0 H GLN A 32 4.745 -2.641 -17.693 1.00 0.00 H new ATOM 0 HA GLN A 32 7.144 -2.537 -19.053 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.473 -2.806 -19.658 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.699 -1.152 -20.191 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.480 -1.863 -21.737 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.346 -3.514 -21.167 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.707 -1.050 -23.074 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.625 -2.199 -23.867 1.00 0.00 H new ATOM 462 N VAL A 33 6.017 0.540 -18.543 1.00 0.00 N ATOM 463 CA VAL A 33 6.387 1.976 -18.542 1.00 0.00 C ATOM 464 C VAL A 33 7.196 2.380 -17.285 1.00 0.00 C ATOM 465 O VAL A 33 7.995 3.315 -17.349 1.00 0.00 O ATOM 466 CB VAL A 33 5.122 2.899 -18.675 1.00 0.00 C ATOM 467 CG1 VAL A 33 4.331 2.570 -19.966 1.00 0.00 C ATOM 468 CG2 VAL A 33 4.214 2.804 -17.424 1.00 0.00 C ATOM 0 H VAL A 33 5.065 0.362 -18.223 1.00 0.00 H new ATOM 0 HA VAL A 33 7.025 2.120 -19.414 1.00 0.00 H new ATOM 0 HB VAL A 33 5.471 3.929 -18.746 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.460 3.222 -20.035 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.971 2.726 -20.834 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.005 1.530 -19.938 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.349 3.455 -17.552 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.877 1.775 -17.296 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.775 3.114 -16.543 1.00 0.00 H new ATOM 478 N CYS A 34 6.975 1.669 -16.146 1.00 0.00 N ATOM 479 CA CYS A 34 7.596 2.025 -14.832 1.00 0.00 C ATOM 480 C CYS A 34 9.128 1.933 -14.867 1.00 0.00 C ATOM 481 O CYS A 34 9.821 2.730 -14.232 1.00 0.00 O ATOM 482 CB CYS A 34 7.057 1.105 -13.722 1.00 0.00 C ATOM 483 SG CYS A 34 7.683 1.427 -12.040 1.00 0.00 S ATOM 0 H CYS A 34 6.373 0.847 -16.107 1.00 0.00 H new ATOM 0 HA CYS A 34 7.327 3.061 -14.624 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.970 1.188 -13.705 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.294 0.074 -13.985 1.00 0.00 H new ATOM 0 HG CYS A 34 7.729 0.312 -11.373 1.00 0.00 H new ATOM 488 N VAL A 35 9.642 0.943 -15.613 1.00 0.00 N ATOM 489 CA VAL A 35 11.093 0.686 -15.744 1.00 0.00 C ATOM 490 C VAL A 35 11.587 0.929 -17.182 1.00 0.00 C ATOM 491 O VAL A 35 12.783 0.791 -17.458 1.00 0.00 O ATOM 492 CB VAL A 35 11.461 -0.776 -15.278 1.00 0.00 C ATOM 493 CG1 VAL A 35 11.425 -0.883 -13.732 1.00 0.00 C ATOM 494 CG2 VAL A 35 10.520 -1.825 -15.937 1.00 0.00 C ATOM 0 H VAL A 35 9.064 0.293 -16.146 1.00 0.00 H new ATOM 0 HA VAL A 35 11.601 1.394 -15.089 1.00 0.00 H new ATOM 0 HB VAL A 35 12.478 -0.992 -15.607 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.682 -1.899 -13.432 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.143 -0.185 -13.302 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.425 -0.640 -13.374 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.795 -2.824 -15.599 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.488 -1.617 -15.653 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.616 -1.770 -17.021 1.00 0.00 H new ATOM 504 N GLY A 36 10.661 1.298 -18.089 1.00 0.00 N ATOM 505 CA GLY A 36 11.003 1.614 -19.481 1.00 0.00 C ATOM 506 C GLY A 36 11.445 0.396 -20.297 1.00 0.00 C ATOM 507 O GLY A 36 12.269 0.520 -21.208 1.00 0.00 O ATOM 0 H GLY A 36 9.667 1.383 -17.876 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.139 2.070 -19.964 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.801 2.356 -19.490 1.00 0.00 H new ATOM 511 N VAL A 37 10.902 -0.783 -19.950 1.00 0.00 N ATOM 512 CA VAL A 37 11.164 -2.040 -20.669 1.00 0.00 C ATOM 513 C VAL A 37 9.997 -2.302 -21.641 1.00 0.00 C ATOM 514 O VAL A 37 8.896 -2.634 -21.206 1.00 0.00 O ATOM 515 CB VAL A 37 11.336 -3.250 -19.672 1.00 0.00 C ATOM 516 CG1 VAL A 37 11.539 -4.583 -20.416 1.00 0.00 C ATOM 517 CG2 VAL A 37 12.505 -3.009 -18.686 1.00 0.00 C ATOM 0 H VAL A 37 10.266 -0.891 -19.160 1.00 0.00 H new ATOM 0 HA VAL A 37 12.098 -1.946 -21.223 1.00 0.00 H new ATOM 0 HB VAL A 37 10.409 -3.318 -19.102 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.653 -5.390 -19.692 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.674 -4.782 -21.048 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.434 -4.522 -21.035 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.595 -3.862 -18.013 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.433 -2.887 -19.245 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.311 -2.108 -18.105 1.00 0.00 H new ATOM 527 N SER A 38 10.252 -2.133 -22.951 1.00 0.00 N ATOM 528 CA SER A 38 9.244 -2.335 -24.017 1.00 0.00 C ATOM 529 C SER A 38 8.953 -3.852 -24.224 1.00 0.00 C ATOM 530 O SER A 38 9.738 -4.673 -23.751 1.00 0.00 O ATOM 531 CB SER A 38 9.767 -1.658 -25.305 1.00 0.00 C ATOM 532 OG SER A 38 10.021 -0.276 -25.089 1.00 0.00 O ATOM 0 H SER A 38 11.166 -1.851 -23.305 1.00 0.00 H new ATOM 0 HA SER A 38 8.294 -1.880 -23.736 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.681 -2.152 -25.634 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.036 -1.776 -26.105 1.00 0.00 H new ATOM 0 HG SER A 38 10.352 0.129 -25.918 1.00 0.00 H new ATOM 538 N PRO A 39 7.803 -4.244 -24.911 1.00 0.00 N ATOM 539 CA PRO A 39 7.391 -5.668 -25.089 1.00 0.00 C ATOM 540 C PRO A 39 8.512 -6.617 -25.569 1.00 0.00 C ATOM 541 O PRO A 39 8.679 -7.709 -25.015 1.00 0.00 O ATOM 542 CB PRO A 39 6.255 -5.581 -26.141 1.00 0.00 C ATOM 543 CG PRO A 39 5.644 -4.237 -25.918 1.00 0.00 C ATOM 544 CD PRO A 39 6.792 -3.329 -25.530 1.00 0.00 C ATOM 0 HA PRO A 39 7.096 -6.102 -24.134 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.644 -5.677 -27.155 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.524 -6.378 -26.003 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.147 -3.878 -26.819 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.890 -4.274 -25.131 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.202 -2.815 -26.399 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.470 -2.560 -24.827 1.00 0.00 H new ATOM 552 N GLU A 40 9.280 -6.184 -26.586 1.00 0.00 N ATOM 553 CA GLU A 40 10.363 -7.010 -27.168 1.00 0.00 C ATOM 554 C GLU A 40 11.540 -7.162 -26.188 1.00 0.00 C ATOM 555 O GLU A 40 12.208 -8.191 -26.168 1.00 0.00 O ATOM 556 CB GLU A 40 10.856 -6.415 -28.515 1.00 0.00 C ATOM 557 CG GLU A 40 11.782 -7.353 -29.325 1.00 0.00 C ATOM 558 CD GLU A 40 12.269 -6.750 -30.652 1.00 0.00 C ATOM 559 OE1 GLU A 40 11.502 -6.765 -31.645 1.00 0.00 O ATOM 560 OE2 GLU A 40 13.413 -6.243 -30.710 1.00 0.00 O ATOM 0 H GLU A 40 9.174 -5.269 -27.024 1.00 0.00 H new ATOM 0 HA GLU A 40 9.950 -8.001 -27.359 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.989 -6.163 -29.126 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.387 -5.484 -28.315 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.647 -7.610 -28.714 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.251 -8.282 -29.532 1.00 0.00 H new ATOM 567 N MET A 41 11.774 -6.120 -25.377 1.00 0.00 N ATOM 568 CA MET A 41 12.841 -6.116 -24.353 1.00 0.00 C ATOM 569 C MET A 41 12.481 -7.091 -23.215 1.00 0.00 C ATOM 570 O MET A 41 13.303 -7.894 -22.783 1.00 0.00 O ATOM 571 CB MET A 41 13.057 -4.679 -23.801 1.00 0.00 C ATOM 572 CG MET A 41 13.563 -3.652 -24.831 1.00 0.00 C ATOM 573 SD MET A 41 12.449 -3.431 -26.245 1.00 0.00 S ATOM 574 CE MET A 41 13.250 -2.105 -27.153 1.00 0.00 C ATOM 0 H MET A 41 11.233 -5.256 -25.408 1.00 0.00 H new ATOM 0 HA MET A 41 13.773 -6.446 -24.811 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.115 -4.320 -23.386 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.770 -4.726 -22.978 1.00 0.00 H new ATOM 0 HG2 MET A 41 13.702 -2.691 -24.335 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.541 -3.967 -25.195 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.668 -1.871 -28.045 1.00 0.00 H new ATOM 0 HE2 MET A 41 13.316 -1.220 -26.521 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.252 -2.418 -27.445 1.00 0.00 H new ATOM 584 N ALA A 42 11.214 -7.038 -22.781 1.00 0.00 N ATOM 585 CA ALA A 42 10.672 -7.924 -21.727 1.00 0.00 C ATOM 586 C ALA A 42 10.632 -9.394 -22.200 1.00 0.00 C ATOM 587 O ALA A 42 10.738 -10.324 -21.397 1.00 0.00 O ATOM 588 CB ALA A 42 9.275 -7.431 -21.321 1.00 0.00 C ATOM 0 H ALA A 42 10.529 -6.378 -23.149 1.00 0.00 H new ATOM 0 HA ALA A 42 11.328 -7.887 -20.857 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.871 -8.081 -20.544 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.345 -6.412 -20.941 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.616 -7.450 -22.189 1.00 0.00 H new ATOM 594 N GLU A 43 10.474 -9.557 -23.520 1.00 0.00 N ATOM 595 CA GLU A 43 10.508 -10.856 -24.205 1.00 0.00 C ATOM 596 C GLU A 43 11.939 -11.427 -24.249 1.00 0.00 C ATOM 597 O GLU A 43 12.172 -12.595 -23.901 1.00 0.00 O ATOM 598 CB GLU A 43 9.968 -10.680 -25.657 1.00 0.00 C ATOM 599 CG GLU A 43 9.933 -11.954 -26.527 1.00 0.00 C ATOM 600 CD GLU A 43 8.872 -12.980 -26.085 1.00 0.00 C ATOM 601 OE1 GLU A 43 9.155 -13.806 -25.191 1.00 0.00 O ATOM 602 OE2 GLU A 43 7.745 -12.953 -26.619 1.00 0.00 O ATOM 0 H GLU A 43 10.316 -8.774 -24.154 1.00 0.00 H new ATOM 0 HA GLU A 43 9.883 -11.557 -23.653 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.958 -10.275 -25.601 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.582 -9.935 -26.164 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.742 -11.671 -27.562 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.915 -12.427 -26.502 1.00 0.00 H new ATOM 609 N LYS A 44 12.889 -10.571 -24.665 1.00 0.00 N ATOM 610 CA LYS A 44 14.224 -11.001 -25.113 1.00 0.00 C ATOM 611 C LYS A 44 15.324 -10.718 -24.075 1.00 0.00 C ATOM 612 O LYS A 44 15.916 -11.659 -23.540 1.00 0.00 O ATOM 613 CB LYS A 44 14.524 -10.236 -26.430 1.00 0.00 C ATOM 614 CG LYS A 44 15.932 -10.424 -27.039 1.00 0.00 C ATOM 615 CD LYS A 44 16.148 -9.512 -28.274 1.00 0.00 C ATOM 616 CE LYS A 44 15.999 -8.012 -27.946 1.00 0.00 C ATOM 617 NZ LYS A 44 16.098 -7.147 -29.151 1.00 0.00 N ATOM 0 H LYS A 44 12.752 -9.561 -24.700 1.00 0.00 H new ATOM 0 HA LYS A 44 14.222 -12.081 -25.258 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.788 -10.540 -27.175 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.372 -9.172 -26.247 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.687 -10.201 -26.285 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.068 -11.466 -27.328 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.142 -9.692 -28.683 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.431 -9.782 -29.049 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.037 -7.844 -27.462 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.770 -7.722 -27.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.571 -6.255 -28.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.649 -7.636 -29.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.144 -6.944 -29.512 1.00 0.00 H new ATOM 631 N GLU A 45 15.534 -9.428 -23.729 1.00 0.00 N ATOM 632 CA GLU A 45 16.752 -8.980 -23.001 1.00 0.00 C ATOM 633 C GLU A 45 16.536 -7.661 -22.235 1.00 0.00 C ATOM 634 O GLU A 45 15.781 -6.784 -22.664 1.00 0.00 O ATOM 635 CB GLU A 45 17.971 -8.794 -23.976 1.00 0.00 C ATOM 636 CG GLU A 45 18.716 -10.088 -24.361 1.00 0.00 C ATOM 637 CD GLU A 45 19.225 -10.875 -23.133 1.00 0.00 C ATOM 638 OE1 GLU A 45 19.953 -10.291 -22.302 1.00 0.00 O ATOM 639 OE2 GLU A 45 18.916 -12.076 -23.011 1.00 0.00 O ATOM 0 H GLU A 45 14.878 -8.676 -23.940 1.00 0.00 H new ATOM 0 HA GLU A 45 16.967 -9.771 -22.282 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.615 -8.315 -24.888 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.682 -8.110 -23.514 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.051 -10.725 -24.944 1.00 0.00 H new ATOM 0 HG3 GLU A 45 19.561 -9.838 -25.002 1.00 0.00 H new ATOM 646 N ASP A 46 17.263 -7.562 -21.109 1.00 0.00 N ATOM 647 CA ASP A 46 17.442 -6.337 -20.316 1.00 0.00 C ATOM 648 C ASP A 46 16.125 -5.884 -19.647 1.00 0.00 C ATOM 649 O ASP A 46 15.434 -4.968 -20.113 1.00 0.00 O ATOM 650 CB ASP A 46 18.122 -5.217 -21.163 1.00 0.00 C ATOM 651 CG ASP A 46 18.676 -4.062 -20.318 1.00 0.00 C ATOM 652 OD1 ASP A 46 19.735 -4.247 -19.685 1.00 0.00 O ATOM 653 OD2 ASP A 46 18.068 -2.973 -20.278 1.00 0.00 O ATOM 0 H ASP A 46 17.759 -8.361 -20.714 1.00 0.00 H new ATOM 0 HA ASP A 46 18.123 -6.562 -19.495 1.00 0.00 H new ATOM 0 HB2 ASP A 46 18.934 -5.654 -21.744 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.398 -4.821 -21.875 1.00 0.00 H new ATOM 658 N TYR A 47 15.777 -6.601 -18.570 1.00 0.00 N ATOM 659 CA TYR A 47 14.588 -6.332 -17.731 1.00 0.00 C ATOM 660 C TYR A 47 14.857 -6.726 -16.265 1.00 0.00 C ATOM 661 O TYR A 47 13.964 -6.667 -15.404 1.00 0.00 O ATOM 662 CB TYR A 47 13.353 -7.084 -18.297 1.00 0.00 C ATOM 663 CG TYR A 47 13.562 -8.594 -18.541 1.00 0.00 C ATOM 664 CD1 TYR A 47 13.313 -9.538 -17.537 1.00 0.00 C ATOM 665 CD2 TYR A 47 14.019 -9.066 -19.773 1.00 0.00 C ATOM 666 CE1 TYR A 47 13.497 -10.888 -17.765 1.00 0.00 C ATOM 667 CE2 TYR A 47 14.205 -10.415 -20.003 1.00 0.00 C ATOM 668 CZ TYR A 47 13.950 -11.320 -18.995 1.00 0.00 C ATOM 669 OH TYR A 47 14.135 -12.667 -19.225 1.00 0.00 O ATOM 0 H TYR A 47 16.321 -7.401 -18.246 1.00 0.00 H new ATOM 0 HA TYR A 47 14.376 -5.263 -17.754 1.00 0.00 H new ATOM 0 HB2 TYR A 47 12.520 -6.955 -17.606 1.00 0.00 H new ATOM 0 HB3 TYR A 47 13.062 -6.616 -19.238 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.971 -9.205 -16.568 1.00 0.00 H new ATOM 0 HD2 TYR A 47 14.232 -8.361 -20.563 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.287 -11.603 -16.983 1.00 0.00 H new ATOM 0 HE2 TYR A 47 14.548 -10.759 -20.967 1.00 0.00 H new ATOM 0 HH TYR A 47 14.456 -12.801 -20.141 1.00 0.00 H new ATOM 679 N ILE A 48 16.103 -7.118 -16.010 1.00 0.00 N ATOM 680 CA ILE A 48 16.573 -7.575 -14.702 1.00 0.00 C ATOM 681 C ILE A 48 17.196 -6.361 -14.001 1.00 0.00 C ATOM 682 O ILE A 48 18.152 -5.775 -14.532 1.00 0.00 O ATOM 683 CB ILE A 48 17.626 -8.750 -14.841 1.00 0.00 C ATOM 684 CG1 ILE A 48 17.058 -9.967 -15.673 1.00 0.00 C ATOM 685 CG2 ILE A 48 18.136 -9.224 -13.458 1.00 0.00 C ATOM 686 CD1 ILE A 48 17.109 -9.814 -17.193 1.00 0.00 C ATOM 0 H ILE A 48 16.832 -7.127 -16.723 1.00 0.00 H new ATOM 0 HA ILE A 48 15.743 -7.976 -14.121 1.00 0.00 H new ATOM 0 HB ILE A 48 18.472 -8.343 -15.394 1.00 0.00 H new ATOM 0 HG12 ILE A 48 17.615 -10.863 -15.398 1.00 0.00 H new ATOM 0 HG13 ILE A 48 16.022 -10.133 -15.378 1.00 0.00 H new ATOM 0 HG21 ILE A 48 18.857 -10.031 -13.593 1.00 0.00 H new ATOM 0 HG22 ILE A 48 18.615 -8.392 -12.942 1.00 0.00 H new ATOM 0 HG23 ILE A 48 17.296 -9.584 -12.864 1.00 0.00 H new ATOM 0 HD11 ILE A 48 16.694 -10.706 -17.663 1.00 0.00 H new ATOM 0 HD12 ILE A 48 16.526 -8.943 -17.491 1.00 0.00 H new ATOM 0 HD13 ILE A 48 18.143 -9.684 -17.511 1.00 0.00 H new ATOM 698 N CYS A 49 16.615 -5.945 -12.848 1.00 0.00 N ATOM 699 CA CYS A 49 17.002 -4.680 -12.178 1.00 0.00 C ATOM 700 C CYS A 49 18.502 -4.682 -11.790 1.00 0.00 C ATOM 701 O CYS A 49 19.063 -5.740 -11.472 1.00 0.00 O ATOM 702 CB CYS A 49 16.064 -4.352 -10.974 1.00 0.00 C ATOM 703 SG CYS A 49 16.348 -5.247 -9.404 1.00 0.00 S ATOM 0 H CYS A 49 15.881 -6.464 -12.366 1.00 0.00 H new ATOM 0 HA CYS A 49 16.868 -3.870 -12.895 1.00 0.00 H new ATOM 0 HB2 CYS A 49 16.142 -3.284 -10.770 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.038 -4.543 -11.287 1.00 0.00 H new ATOM 0 HG CYS A 49 16.991 -6.351 -9.644 1.00 0.00 H new ATOM 708 N VAL A 50 19.117 -3.482 -11.833 1.00 0.00 N ATOM 709 CA VAL A 50 20.588 -3.285 -11.951 1.00 0.00 C ATOM 710 C VAL A 50 21.420 -4.012 -10.863 1.00 0.00 C ATOM 711 O VAL A 50 22.493 -4.541 -11.161 1.00 0.00 O ATOM 712 CB VAL A 50 20.932 -1.747 -11.968 1.00 0.00 C ATOM 713 CG1 VAL A 50 22.458 -1.478 -12.055 1.00 0.00 C ATOM 714 CG2 VAL A 50 20.178 -1.028 -13.118 1.00 0.00 C ATOM 0 H VAL A 50 18.601 -2.603 -11.786 1.00 0.00 H new ATOM 0 HA VAL A 50 20.874 -3.745 -12.897 1.00 0.00 H new ATOM 0 HB VAL A 50 20.594 -1.337 -11.016 1.00 0.00 H new ATOM 0 HG11 VAL A 50 22.638 -0.403 -12.063 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.956 -1.923 -11.193 1.00 0.00 H new ATOM 0 HG13 VAL A 50 22.854 -1.919 -12.970 1.00 0.00 H new ATOM 0 HG21 VAL A 50 20.430 0.032 -13.111 1.00 0.00 H new ATOM 0 HG22 VAL A 50 20.470 -1.464 -14.073 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.103 -1.146 -12.978 1.00 0.00 H new ATOM 724 N ARG A 51 20.908 -4.061 -9.622 1.00 0.00 N ATOM 725 CA ARG A 51 21.619 -4.702 -8.486 1.00 0.00 C ATOM 726 C ARG A 51 21.709 -6.240 -8.670 1.00 0.00 C ATOM 727 O ARG A 51 22.640 -6.882 -8.177 1.00 0.00 O ATOM 728 CB ARG A 51 20.924 -4.338 -7.150 1.00 0.00 C ATOM 729 CG ARG A 51 20.848 -2.813 -6.876 1.00 0.00 C ATOM 730 CD ARG A 51 20.095 -2.474 -5.577 1.00 0.00 C ATOM 731 NE ARG A 51 19.906 -1.019 -5.416 1.00 0.00 N ATOM 732 CZ ARG A 51 19.558 -0.400 -4.284 1.00 0.00 C ATOM 733 NH1 ARG A 51 19.353 -1.083 -3.161 1.00 0.00 N ATOM 734 NH2 ARG A 51 19.409 0.913 -4.283 1.00 0.00 N ATOM 0 H ARG A 51 20.002 -3.665 -9.372 1.00 0.00 H new ATOM 0 HA ARG A 51 22.640 -4.321 -8.461 1.00 0.00 H new ATOM 0 HB2 ARG A 51 19.914 -4.747 -7.154 1.00 0.00 H new ATOM 0 HB3 ARG A 51 21.459 -4.818 -6.331 1.00 0.00 H new ATOM 0 HG2 ARG A 51 21.859 -2.408 -6.820 1.00 0.00 H new ATOM 0 HG3 ARG A 51 20.354 -2.323 -7.715 1.00 0.00 H new ATOM 0 HD2 ARG A 51 19.124 -2.968 -5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 51 20.649 -2.865 -4.723 1.00 0.00 H new ATOM 0 HE ARG A 51 20.054 -0.436 -6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 51 19.461 -2.097 -3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 51 19.088 -0.592 -2.307 1.00 0.00 H new ATOM 0 HH21 ARG A 51 19.559 1.444 -5.141 1.00 0.00 H new ATOM 0 HH22 ARG A 51 19.144 1.395 -3.424 1.00 0.00 H new ATOM 748 N CYS A 52 20.728 -6.806 -9.394 1.00 0.00 N ATOM 749 CA CYS A 52 20.724 -8.236 -9.796 1.00 0.00 C ATOM 750 C CYS A 52 21.635 -8.473 -11.000 1.00 0.00 C ATOM 751 O CYS A 52 22.117 -9.579 -11.186 1.00 0.00 O ATOM 752 CB CYS A 52 19.311 -8.697 -10.148 1.00 0.00 C ATOM 753 SG CYS A 52 18.142 -8.522 -8.800 1.00 0.00 S ATOM 0 H CYS A 52 19.911 -6.290 -9.721 1.00 0.00 H new ATOM 0 HA CYS A 52 21.095 -8.810 -8.947 1.00 0.00 H new ATOM 0 HB2 CYS A 52 18.954 -8.125 -11.004 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.345 -9.742 -10.455 1.00 0.00 H new ATOM 0 HG CYS A 52 17.556 -9.662 -8.583 1.00 0.00 H new ATOM 758 N THR A 53 21.808 -7.438 -11.837 1.00 0.00 N ATOM 759 CA THR A 53 22.734 -7.490 -12.984 1.00 0.00 C ATOM 760 C THR A 53 24.204 -7.414 -12.490 1.00 0.00 C ATOM 761 O THR A 53 25.119 -7.959 -13.126 1.00 0.00 O ATOM 762 CB THR A 53 22.430 -6.340 -13.999 1.00 0.00 C ATOM 763 OG1 THR A 53 21.015 -6.292 -14.244 1.00 0.00 O ATOM 764 CG2 THR A 53 23.169 -6.532 -15.338 1.00 0.00 C ATOM 0 H THR A 53 21.317 -6.549 -11.741 1.00 0.00 H new ATOM 0 HA THR A 53 22.590 -8.439 -13.501 1.00 0.00 H new ATOM 0 HB THR A 53 22.781 -5.407 -13.559 1.00 0.00 H new ATOM 0 HG1 THR A 53 20.817 -5.572 -14.878 1.00 0.00 H new ATOM 0 HG21 THR A 53 22.926 -5.708 -16.009 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.244 -6.550 -15.161 1.00 0.00 H new ATOM 0 HG23 THR A 53 22.860 -7.473 -15.792 1.00 0.00 H new ATOM 772 N VAL A 54 24.400 -6.741 -11.339 1.00 0.00 N ATOM 773 CA VAL A 54 25.687 -6.710 -10.618 1.00 0.00 C ATOM 774 C VAL A 54 25.938 -8.082 -9.959 1.00 0.00 C ATOM 775 O VAL A 54 26.992 -8.705 -10.157 1.00 0.00 O ATOM 776 CB VAL A 54 25.719 -5.558 -9.531 1.00 0.00 C ATOM 777 CG1 VAL A 54 27.011 -5.607 -8.673 1.00 0.00 C ATOM 778 CG2 VAL A 54 25.554 -4.168 -10.196 1.00 0.00 C ATOM 0 H VAL A 54 23.666 -6.201 -10.881 1.00 0.00 H new ATOM 0 HA VAL A 54 26.479 -6.499 -11.336 1.00 0.00 H new ATOM 0 HB VAL A 54 24.876 -5.723 -8.860 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.992 -4.800 -7.940 1.00 0.00 H new ATOM 0 HG12 VAL A 54 27.068 -6.565 -8.156 1.00 0.00 H new ATOM 0 HG13 VAL A 54 27.881 -5.490 -9.319 1.00 0.00 H new ATOM 0 HG21 VAL A 54 25.579 -3.393 -9.430 1.00 0.00 H new ATOM 0 HG22 VAL A 54 26.366 -4.005 -10.904 1.00 0.00 H new ATOM 0 HG23 VAL A 54 24.600 -4.127 -10.722 1.00 0.00 H new ATOM 788 N LYS A 55 24.938 -8.547 -9.192 1.00 0.00 N ATOM 789 CA LYS A 55 24.969 -9.858 -8.517 1.00 0.00 C ATOM 790 C LYS A 55 24.269 -10.918 -9.382 1.00 0.00 C ATOM 791 O LYS A 55 23.333 -11.605 -8.950 1.00 0.00 O ATOM 792 CB LYS A 55 24.333 -9.760 -7.108 1.00 0.00 C ATOM 793 CG LYS A 55 25.052 -8.789 -6.144 1.00 0.00 C ATOM 794 CD LYS A 55 24.480 -8.844 -4.709 1.00 0.00 C ATOM 795 CE LYS A 55 25.209 -7.896 -3.737 1.00 0.00 C ATOM 796 NZ LYS A 55 24.726 -8.063 -2.342 1.00 0.00 N ATOM 0 H LYS A 55 24.080 -8.022 -9.021 1.00 0.00 H new ATOM 0 HA LYS A 55 26.007 -10.165 -8.387 1.00 0.00 H new ATOM 0 HB2 LYS A 55 23.295 -9.444 -7.213 1.00 0.00 H new ATOM 0 HB3 LYS A 55 24.320 -10.753 -6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 55 26.115 -9.030 -6.117 1.00 0.00 H new ATOM 0 HG3 LYS A 55 24.965 -7.772 -6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 55 23.421 -8.586 -4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 55 24.550 -9.865 -4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 55 26.281 -8.088 -3.776 1.00 0.00 H new ATOM 0 HE3 LYS A 55 25.058 -6.864 -4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 25.239 -7.409 -1.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 23.708 -7.855 -2.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 24.893 -9.042 -2.032 1.00 0.00 H new ATOM 810 N ASP A 56 24.753 -11.035 -10.619 1.00 0.00 N ATOM 811 CA ASP A 56 24.274 -12.012 -11.619 1.00 0.00 C ATOM 812 C ASP A 56 25.294 -13.168 -11.737 1.00 0.00 C ATOM 813 O ASP A 56 25.319 -13.904 -12.733 1.00 0.00 O ATOM 814 CB ASP A 56 24.065 -11.268 -12.978 1.00 0.00 C ATOM 815 CG ASP A 56 23.373 -12.109 -14.063 1.00 0.00 C ATOM 816 OD1 ASP A 56 22.184 -12.451 -13.893 1.00 0.00 O ATOM 817 OD2 ASP A 56 24.015 -12.445 -15.082 1.00 0.00 O ATOM 0 H ASP A 56 25.506 -10.443 -10.969 1.00 0.00 H new ATOM 0 HA ASP A 56 23.322 -12.448 -11.318 1.00 0.00 H new ATOM 0 HB2 ASP A 56 23.474 -10.370 -12.799 1.00 0.00 H new ATOM 0 HB3 ASP A 56 25.035 -10.941 -13.352 1.00 0.00 H new