USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 435 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 48 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.115 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 39:sc= 1.32 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0246 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.627 X(o=-0.63,f=-0.84) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 13 GLN : amide:sc= -0.075 K(o=-0.075,f=-1.5!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -156:sc= -0.138 (180deg=-0.668) USER MOD Single : A 20 LYS NZ :NH3+ 149:sc= -0.135 (180deg=-1.28!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.00647 K(o=0.0065,f=-0.58) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -151:sc= -0.35 (180deg=-1.58!) USER MOD Single : A 31 GLN : amide:sc= -0.0338 K(o=-0.034,f=-0.97) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.0417 (180deg=-0.316) USER MOD Single : A 34 GLN : amide:sc= -0.609 K(o=-0.61,f=-2.1!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -4.55! C(o=-4.5!,f=-8.1!) USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= -0.065 (180deg=-0.398) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.532 X(o=-0.53,f=-0.052) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 50.739 25.673 8.036 1.00 0.00 N ATOM 2 CA GLY A 1 49.331 25.831 8.352 1.00 0.00 C ATOM 3 C GLY A 1 48.468 24.770 7.700 1.00 0.00 C ATOM 4 O GLY A 1 48.975 23.885 7.011 1.00 0.00 O ATOM 0 H1 GLY A 1 51.278 25.531 8.914 1.00 0.00 H new ATOM 0 H2 GLY A 1 50.865 24.848 7.415 1.00 0.00 H new ATOM 0 H3 GLY A 1 51.084 26.526 7.552 1.00 0.00 H new ATOM 0 HA2 GLY A 1 49.198 25.790 9.433 1.00 0.00 H new ATOM 0 HA3 GLY A 1 48.997 26.816 8.027 1.00 0.00 H new ATOM 8 N SER A 2 47.159 24.857 7.918 1.00 0.00 N ATOM 9 CA SER A 2 46.224 23.893 7.350 1.00 0.00 C ATOM 10 C SER A 2 44.786 24.385 7.488 1.00 0.00 C ATOM 11 O SER A 2 44.517 25.360 8.190 1.00 0.00 O ATOM 12 CB SER A 2 46.379 22.535 8.038 1.00 0.00 C ATOM 13 OG SER A 2 45.778 22.542 9.321 1.00 0.00 O ATOM 0 H SER A 2 46.723 25.585 8.484 1.00 0.00 H new ATOM 0 HA SER A 2 46.452 23.783 6.290 1.00 0.00 H new ATOM 0 HB2 SER A 2 45.923 21.758 7.424 1.00 0.00 H new ATOM 0 HB3 SER A 2 47.437 22.289 8.130 1.00 0.00 H new ATOM 0 HG SER A 2 45.889 21.663 9.739 1.00 0.00 H new ATOM 19 N SER A 3 43.867 23.702 6.814 1.00 0.00 N ATOM 20 CA SER A 3 42.457 24.071 6.857 1.00 0.00 C ATOM 21 C SER A 3 41.597 23.012 6.174 1.00 0.00 C ATOM 22 O SER A 3 42.111 22.108 5.517 1.00 0.00 O ATOM 23 CB SER A 3 42.242 25.429 6.185 1.00 0.00 C ATOM 24 OG SER A 3 42.439 26.489 7.105 1.00 0.00 O ATOM 0 H SER A 3 44.073 22.890 6.232 1.00 0.00 H new ATOM 0 HA SER A 3 42.157 24.139 7.903 1.00 0.00 H new ATOM 0 HB2 SER A 3 42.931 25.537 5.347 1.00 0.00 H new ATOM 0 HB3 SER A 3 41.233 25.481 5.776 1.00 0.00 H new ATOM 0 HG SER A 3 43.195 26.277 7.691 1.00 0.00 H new ATOM 30 N GLY A 4 40.283 23.131 6.335 1.00 0.00 N ATOM 31 CA GLY A 4 39.371 22.178 5.729 1.00 0.00 C ATOM 32 C GLY A 4 38.030 22.795 5.387 1.00 0.00 C ATOM 33 O GLY A 4 37.899 24.017 5.326 1.00 0.00 O ATOM 0 H GLY A 4 39.833 23.871 6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 4 39.823 21.773 4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 4 39.219 21.341 6.411 1.00 0.00 H new ATOM 37 N SER A 5 37.031 21.948 5.161 1.00 0.00 N ATOM 38 CA SER A 5 35.693 22.417 4.818 1.00 0.00 C ATOM 39 C SER A 5 34.711 21.252 4.747 1.00 0.00 C ATOM 40 O SER A 5 35.093 20.092 4.900 1.00 0.00 O ATOM 41 CB SER A 5 35.718 23.160 3.481 1.00 0.00 C ATOM 42 OG SER A 5 34.501 23.849 3.258 1.00 0.00 O ATOM 0 H SER A 5 37.123 20.933 5.209 1.00 0.00 H new ATOM 0 HA SER A 5 35.362 23.101 5.600 1.00 0.00 H new ATOM 0 HB2 SER A 5 36.547 23.867 3.470 1.00 0.00 H new ATOM 0 HB3 SER A 5 35.892 22.452 2.671 1.00 0.00 H new ATOM 0 HG SER A 5 34.543 24.317 2.398 1.00 0.00 H new ATOM 48 N SER A 6 33.441 21.571 4.515 1.00 0.00 N ATOM 49 CA SER A 6 32.401 20.552 4.427 1.00 0.00 C ATOM 50 C SER A 6 31.127 21.127 3.815 1.00 0.00 C ATOM 51 O SER A 6 31.031 22.329 3.569 1.00 0.00 O ATOM 52 CB SER A 6 32.101 19.979 5.813 1.00 0.00 C ATOM 53 OG SER A 6 31.703 21.000 6.712 1.00 0.00 O ATOM 0 H SER A 6 33.108 22.526 4.385 1.00 0.00 H new ATOM 0 HA SER A 6 32.764 19.752 3.782 1.00 0.00 H new ATOM 0 HB2 SER A 6 31.313 19.229 5.737 1.00 0.00 H new ATOM 0 HB3 SER A 6 32.986 19.474 6.200 1.00 0.00 H new ATOM 0 HG SER A 6 31.515 20.608 7.590 1.00 0.00 H new ATOM 59 N GLY A 7 30.150 20.259 3.572 1.00 0.00 N ATOM 60 CA GLY A 7 28.895 20.698 2.992 1.00 0.00 C ATOM 61 C GLY A 7 27.731 19.813 3.390 1.00 0.00 C ATOM 62 O GLY A 7 27.897 18.868 4.161 1.00 0.00 O ATOM 0 H GLY A 7 30.206 19.259 3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 7 28.692 21.722 3.305 1.00 0.00 H new ATOM 0 HA3 GLY A 7 28.984 20.709 1.906 1.00 0.00 H new ATOM 66 N GLN A 8 26.549 20.120 2.865 1.00 0.00 N ATOM 67 CA GLN A 8 25.352 19.346 3.173 1.00 0.00 C ATOM 68 C GLN A 8 24.223 19.683 2.206 1.00 0.00 C ATOM 69 O GLN A 8 24.057 20.826 1.779 1.00 0.00 O ATOM 70 CB GLN A 8 24.904 19.612 4.611 1.00 0.00 C ATOM 71 CG GLN A 8 24.372 21.019 4.833 1.00 0.00 C ATOM 72 CD GLN A 8 25.473 22.060 4.868 1.00 0.00 C ATOM 73 OE1 GLN A 8 25.739 22.733 3.871 1.00 0.00 O ATOM 74 NE2 GLN A 8 26.120 22.199 6.019 1.00 0.00 N ATOM 0 H GLN A 8 26.395 20.899 2.225 1.00 0.00 H new ATOM 0 HA GLN A 8 25.595 18.289 3.065 1.00 0.00 H new ATOM 0 HB2 GLN A 8 24.130 18.893 4.880 1.00 0.00 H new ATOM 0 HB3 GLN A 8 25.745 19.441 5.282 1.00 0.00 H new ATOM 0 HG2 GLN A 8 23.668 21.267 4.039 1.00 0.00 H new ATOM 0 HG3 GLN A 8 23.818 21.050 5.771 1.00 0.00 H new ATOM 0 HE21 GLN A 8 25.866 21.620 6.820 1.00 0.00 H new ATOM 0 HE22 GLN A 8 26.871 22.885 6.103 1.00 0.00 H new ATOM 83 N PRO A 9 23.426 18.664 1.849 1.00 0.00 N ATOM 84 CA PRO A 9 22.297 18.827 0.927 1.00 0.00 C ATOM 85 C PRO A 9 21.158 19.632 1.543 1.00 0.00 C ATOM 86 O PRO A 9 21.167 19.927 2.739 1.00 0.00 O ATOM 87 CB PRO A 9 21.850 17.389 0.656 1.00 0.00 C ATOM 88 CG PRO A 9 22.292 16.622 1.855 1.00 0.00 C ATOM 89 CD PRO A 9 23.564 17.275 2.318 1.00 0.00 C ATOM 0 HA PRO A 9 22.580 19.376 0.029 1.00 0.00 H new ATOM 0 HB2 PRO A 9 20.770 17.329 0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.305 16.998 -0.254 1.00 0.00 H new ATOM 0 HG2 PRO A 9 21.533 16.648 2.637 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.459 15.574 1.608 1.00 0.00 H new ATOM 0 HD2 PRO A 9 23.669 17.226 3.402 1.00 0.00 H new ATOM 0 HD3 PRO A 9 24.442 16.792 1.890 1.00 0.00 H new ATOM 97 N THR A 10 20.176 19.985 0.719 1.00 0.00 N ATOM 98 CA THR A 10 19.029 20.757 1.182 1.00 0.00 C ATOM 99 C THR A 10 17.785 19.883 1.287 1.00 0.00 C ATOM 100 O THR A 10 17.157 19.804 2.343 1.00 0.00 O ATOM 101 CB THR A 10 18.733 21.942 0.244 1.00 0.00 C ATOM 102 OG1 THR A 10 18.533 21.470 -1.093 1.00 0.00 O ATOM 103 CG2 THR A 10 19.874 22.948 0.266 1.00 0.00 C ATOM 0 H THR A 10 20.152 19.748 -0.273 1.00 0.00 H new ATOM 0 HA THR A 10 19.284 21.141 2.170 1.00 0.00 H new ATOM 0 HB THR A 10 17.827 22.436 0.594 1.00 0.00 H new ATOM 0 HG1 THR A 10 18.344 22.229 -1.683 1.00 0.00 H new ATOM 0 HG21 THR A 10 19.642 23.776 -0.404 1.00 0.00 H new ATOM 0 HG22 THR A 10 20.005 23.327 1.279 1.00 0.00 H new ATOM 0 HG23 THR A 10 20.793 22.463 -0.062 1.00 0.00 H new ATOM 111 N ALA A 11 17.434 19.227 0.186 1.00 0.00 N ATOM 112 CA ALA A 11 16.265 18.356 0.155 1.00 0.00 C ATOM 113 C ALA A 11 14.975 19.166 0.231 1.00 0.00 C ATOM 114 O ALA A 11 14.037 18.789 0.933 1.00 0.00 O ATOM 115 CB ALA A 11 16.327 17.350 1.294 1.00 0.00 C ATOM 0 H ALA A 11 17.942 19.282 -0.697 1.00 0.00 H new ATOM 0 HA ALA A 11 16.269 17.817 -0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.448 16.706 1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 11 17.226 16.742 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 11 16.351 17.880 2.246 1.00 0.00 H new ATOM 121 N GLN A 12 14.937 20.279 -0.494 1.00 0.00 N ATOM 122 CA GLN A 12 13.761 21.142 -0.507 1.00 0.00 C ATOM 123 C GLN A 12 12.601 20.470 -1.234 1.00 0.00 C ATOM 124 O GLN A 12 12.452 20.614 -2.448 1.00 0.00 O ATOM 125 CB GLN A 12 14.091 22.479 -1.172 1.00 0.00 C ATOM 126 CG GLN A 12 14.880 23.424 -0.281 1.00 0.00 C ATOM 127 CD GLN A 12 15.470 24.592 -1.046 1.00 0.00 C ATOM 128 OE1 GLN A 12 15.092 24.855 -2.188 1.00 0.00 O ATOM 129 NE2 GLN A 12 16.402 25.301 -0.419 1.00 0.00 N ATOM 0 H GLN A 12 15.706 20.605 -1.080 1.00 0.00 H new ATOM 0 HA GLN A 12 13.462 21.323 0.526 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.660 22.292 -2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.162 22.965 -1.471 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.229 23.803 0.507 1.00 0.00 H new ATOM 0 HG3 GLN A 12 15.683 22.872 0.207 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.685 25.047 0.528 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.835 26.099 -0.884 1.00 0.00 H new ATOM 138 N GLN A 13 11.783 19.738 -0.485 1.00 0.00 N ATOM 139 CA GLN A 13 10.637 19.045 -1.060 1.00 0.00 C ATOM 140 C GLN A 13 9.441 19.093 -0.115 1.00 0.00 C ATOM 141 O GLN A 13 9.595 19.325 1.084 1.00 0.00 O ATOM 142 CB GLN A 13 10.997 17.591 -1.372 1.00 0.00 C ATOM 143 CG GLN A 13 10.040 16.922 -2.345 1.00 0.00 C ATOM 144 CD GLN A 13 10.658 15.726 -3.043 1.00 0.00 C ATOM 145 OE1 GLN A 13 11.869 15.677 -3.259 1.00 0.00 O ATOM 146 NE2 GLN A 13 9.828 14.754 -3.399 1.00 0.00 N ATOM 0 H GLN A 13 11.893 19.610 0.521 1.00 0.00 H new ATOM 0 HA GLN A 13 10.366 19.552 -1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 13 12.005 17.556 -1.785 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.013 17.022 -0.442 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.147 16.603 -1.808 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.721 17.649 -3.092 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.831 14.836 -3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.187 13.924 -3.872 1.00 0.00 H new ATOM 155 N GLN A 14 8.250 18.872 -0.663 1.00 0.00 N ATOM 156 CA GLN A 14 7.028 18.892 0.132 1.00 0.00 C ATOM 157 C GLN A 14 6.377 17.513 0.164 1.00 0.00 C ATOM 158 O GLN A 14 5.590 17.166 -0.718 1.00 0.00 O ATOM 159 CB GLN A 14 6.045 19.920 -0.430 1.00 0.00 C ATOM 160 CG GLN A 14 5.054 20.439 0.599 1.00 0.00 C ATOM 161 CD GLN A 14 4.085 21.450 0.018 1.00 0.00 C ATOM 162 OE1 GLN A 14 4.235 22.656 0.216 1.00 0.00 O ATOM 163 NE2 GLN A 14 3.084 20.963 -0.706 1.00 0.00 N ATOM 0 H GLN A 14 8.106 18.677 -1.654 1.00 0.00 H new ATOM 0 HA GLN A 14 7.293 19.173 1.151 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.605 20.761 -0.839 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.496 19.471 -1.257 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.494 19.601 1.013 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.599 20.897 1.424 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.998 19.956 -0.845 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.402 21.596 -1.123 1.00 0.00 H new ATOM 172 N LEU A 15 6.710 16.730 1.185 1.00 0.00 N ATOM 173 CA LEU A 15 6.158 15.388 1.331 1.00 0.00 C ATOM 174 C LEU A 15 6.042 15.005 2.803 1.00 0.00 C ATOM 175 O LEU A 15 6.731 15.563 3.658 1.00 0.00 O ATOM 176 CB LEU A 15 7.034 14.372 0.596 1.00 0.00 C ATOM 177 CG LEU A 15 8.334 13.974 1.296 1.00 0.00 C ATOM 178 CD1 LEU A 15 9.139 15.210 1.669 1.00 0.00 C ATOM 179 CD2 LEU A 15 8.039 13.135 2.531 1.00 0.00 C ATOM 0 H LEU A 15 7.359 17.002 1.923 1.00 0.00 H new ATOM 0 HA LEU A 15 5.160 15.382 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.445 13.470 0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.283 14.779 -0.384 1.00 0.00 H new ATOM 0 HG LEU A 15 8.927 13.373 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.061 14.908 2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.381 15.773 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.553 15.837 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.975 12.861 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.426 13.711 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.504 12.232 2.238 1.00 0.00 H new ATOM 191 N THR A 16 5.166 14.047 3.093 1.00 0.00 N ATOM 192 CA THR A 16 4.960 13.589 4.461 1.00 0.00 C ATOM 193 C THR A 16 5.279 12.104 4.597 1.00 0.00 C ATOM 194 O THR A 16 5.858 11.671 5.593 1.00 0.00 O ATOM 195 CB THR A 16 3.512 13.835 4.924 1.00 0.00 C ATOM 196 OG1 THR A 16 3.334 13.347 6.258 1.00 0.00 O ATOM 197 CG2 THR A 16 2.522 13.152 3.992 1.00 0.00 C ATOM 0 H THR A 16 4.588 13.574 2.398 1.00 0.00 H new ATOM 0 HA THR A 16 5.638 14.164 5.092 1.00 0.00 H new ATOM 0 HB THR A 16 3.325 14.909 4.903 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.411 13.509 6.545 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.506 13.340 4.339 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.640 13.548 2.983 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.710 12.078 3.985 1.00 0.00 H new ATOM 205 N LYS A 17 4.898 11.327 3.588 1.00 0.00 N ATOM 206 CA LYS A 17 5.145 9.890 3.593 1.00 0.00 C ATOM 207 C LYS A 17 5.390 9.375 2.179 1.00 0.00 C ATOM 208 O LYS A 17 4.785 9.836 1.211 1.00 0.00 O ATOM 209 CB LYS A 17 3.960 9.151 4.219 1.00 0.00 C ATOM 210 CG LYS A 17 2.728 9.116 3.331 1.00 0.00 C ATOM 211 CD LYS A 17 1.487 8.721 4.114 1.00 0.00 C ATOM 212 CE LYS A 17 1.413 7.216 4.320 1.00 0.00 C ATOM 213 NZ LYS A 17 1.317 6.483 3.026 1.00 0.00 N ATOM 0 H LYS A 17 4.417 11.669 2.756 1.00 0.00 H new ATOM 0 HA LYS A 17 6.038 9.702 4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.261 8.129 4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.703 9.629 5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.577 10.096 2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.886 8.409 2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.492 9.222 5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.597 9.061 3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.296 6.880 4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.548 6.976 4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.873 5.556 3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.741 7.033 2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.270 6.348 2.632 1.00 0.00 H new ATOM 227 N PRO A 18 6.297 8.395 2.054 1.00 0.00 N ATOM 228 CA PRO A 18 6.641 7.795 0.761 1.00 0.00 C ATOM 229 C PRO A 18 5.506 6.950 0.194 1.00 0.00 C ATOM 230 O PRO A 18 4.673 6.434 0.938 1.00 0.00 O ATOM 231 CB PRO A 18 7.851 6.916 1.089 1.00 0.00 C ATOM 232 CG PRO A 18 7.704 6.594 2.537 1.00 0.00 C ATOM 233 CD PRO A 18 7.057 7.797 3.165 1.00 0.00 C ATOM 0 HA PRO A 18 6.839 8.550 0.001 1.00 0.00 H new ATOM 0 HB2 PRO A 18 7.860 6.011 0.481 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.786 7.441 0.893 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.092 5.703 2.679 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.673 6.390 2.992 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.405 7.517 3.993 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.798 8.490 3.564 1.00 0.00 H new ATOM 241 N ALA A 19 5.481 6.812 -1.127 1.00 0.00 N ATOM 242 CA ALA A 19 4.449 6.027 -1.794 1.00 0.00 C ATOM 243 C ALA A 19 4.909 4.589 -2.013 1.00 0.00 C ATOM 244 O ALA A 19 4.661 4.001 -3.065 1.00 0.00 O ATOM 245 CB ALA A 19 4.070 6.670 -3.120 1.00 0.00 C ATOM 0 H ALA A 19 6.164 7.233 -1.757 1.00 0.00 H new ATOM 0 HA ALA A 19 3.570 6.006 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.299 6.073 -3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.691 7.676 -2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.948 6.722 -3.763 1.00 0.00 H new ATOM 251 N LYS A 20 5.580 4.029 -1.012 1.00 0.00 N ATOM 252 CA LYS A 20 6.075 2.660 -1.094 1.00 0.00 C ATOM 253 C LYS A 20 4.972 1.709 -1.550 1.00 0.00 C ATOM 254 O LYS A 20 3.788 2.042 -1.487 1.00 0.00 O ATOM 255 CB LYS A 20 6.621 2.211 0.263 1.00 0.00 C ATOM 256 CG LYS A 20 7.355 0.882 0.213 1.00 0.00 C ATOM 257 CD LYS A 20 7.949 0.523 1.565 1.00 0.00 C ATOM 258 CE LYS A 20 9.359 1.073 1.719 1.00 0.00 C ATOM 259 NZ LYS A 20 9.354 2.497 2.154 1.00 0.00 N ATOM 0 H LYS A 20 5.794 4.502 -0.134 1.00 0.00 H new ATOM 0 HA LYS A 20 6.880 2.635 -1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.297 2.976 0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.795 2.134 0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.668 0.097 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.148 0.931 -0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.315 0.918 2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.966 -0.561 1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.906 0.473 2.447 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.889 0.985 0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.198 2.687 2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.361 3.115 1.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.500 2.685 2.717 1.00 0.00 H new ATOM 273 N ILE A 21 5.368 0.526 -2.006 1.00 0.00 N ATOM 274 CA ILE A 21 4.412 -0.473 -2.469 1.00 0.00 C ATOM 275 C ILE A 21 4.645 -1.815 -1.783 1.00 0.00 C ATOM 276 O ILE A 21 5.784 -2.249 -1.613 1.00 0.00 O ATOM 277 CB ILE A 21 4.495 -0.667 -3.994 1.00 0.00 C ATOM 278 CG1 ILE A 21 4.269 0.665 -4.713 1.00 0.00 C ATOM 279 CG2 ILE A 21 3.479 -1.702 -4.453 1.00 0.00 C ATOM 280 CD1 ILE A 21 4.567 0.610 -6.195 1.00 0.00 C ATOM 0 H ILE A 21 6.344 0.235 -2.065 1.00 0.00 H new ATOM 0 HA ILE A 21 3.419 -0.104 -2.212 1.00 0.00 H new ATOM 0 HB ILE A 21 5.492 -1.029 -4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.234 0.975 -4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.896 1.428 -4.253 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.550 -1.828 -5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.683 -2.654 -3.963 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.475 -1.367 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.385 1.589 -6.639 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.610 0.331 -6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.921 -0.129 -6.669 1.00 0.00 H new ATOM 292 N THR A 22 3.556 -2.470 -1.393 1.00 0.00 N ATOM 293 CA THR A 22 3.640 -3.763 -0.726 1.00 0.00 C ATOM 294 C THR A 22 2.564 -4.716 -1.236 1.00 0.00 C ATOM 295 O THR A 22 1.558 -4.286 -1.802 1.00 0.00 O ATOM 296 CB THR A 22 3.499 -3.619 0.801 1.00 0.00 C ATOM 297 OG1 THR A 22 2.513 -2.627 1.110 1.00 0.00 O ATOM 298 CG2 THR A 22 4.828 -3.235 1.433 1.00 0.00 C ATOM 0 H THR A 22 2.605 -2.126 -1.528 1.00 0.00 H new ATOM 0 HA THR A 22 4.624 -4.173 -0.955 1.00 0.00 H new ATOM 0 HB THR A 22 3.186 -4.581 1.208 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.428 -2.542 2.083 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.704 -3.139 2.512 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.568 -4.006 1.220 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.166 -2.284 1.021 1.00 0.00 H new ATOM 306 N CYS A 23 2.782 -6.011 -1.033 1.00 0.00 N ATOM 307 CA CYS A 23 1.831 -7.025 -1.472 1.00 0.00 C ATOM 308 C CYS A 23 0.496 -6.868 -0.749 1.00 0.00 C ATOM 309 O CYS A 23 0.455 -6.665 0.464 1.00 0.00 O ATOM 310 CB CYS A 23 2.396 -8.425 -1.224 1.00 0.00 C ATOM 311 SG CYS A 23 1.287 -9.776 -1.737 1.00 0.00 S ATOM 0 H CYS A 23 3.610 -6.383 -0.567 1.00 0.00 H new ATOM 0 HA CYS A 23 1.663 -6.892 -2.541 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.342 -8.523 -1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.616 -8.533 -0.162 1.00 0.00 H new ATOM 316 N ALA A 24 -0.593 -6.964 -1.504 1.00 0.00 N ATOM 317 CA ALA A 24 -1.930 -6.835 -0.936 1.00 0.00 C ATOM 318 C ALA A 24 -2.391 -8.149 -0.315 1.00 0.00 C ATOM 319 O ALA A 24 -3.583 -8.358 -0.096 1.00 0.00 O ATOM 320 CB ALA A 24 -2.914 -6.379 -2.002 1.00 0.00 C ATOM 0 H ALA A 24 -0.576 -7.131 -2.510 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.892 -6.084 -0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.908 -6.287 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.601 -5.413 -2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.940 -7.110 -2.810 1.00 0.00 H new ATOM 326 N ASN A 25 -1.438 -9.033 -0.035 1.00 0.00 N ATOM 327 CA ASN A 25 -1.748 -10.328 0.560 1.00 0.00 C ATOM 328 C ASN A 25 -0.869 -10.590 1.779 1.00 0.00 C ATOM 329 O ASN A 25 -1.367 -10.750 2.895 1.00 0.00 O ATOM 330 CB ASN A 25 -1.559 -11.444 -0.469 1.00 0.00 C ATOM 331 CG ASN A 25 -2.310 -12.707 -0.097 1.00 0.00 C ATOM 332 OD1 ASN A 25 -3.518 -12.809 -0.307 1.00 0.00 O ATOM 333 ND2 ASN A 25 -1.595 -13.678 0.460 1.00 0.00 N ATOM 0 H ASN A 25 -0.446 -8.876 -0.211 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.789 -10.313 0.881 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.899 -11.096 -1.444 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.497 -11.671 -0.564 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.046 -14.552 0.732 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.595 -13.550 0.616 1.00 0.00 H new ATOM 340 N CYS A 26 0.440 -10.634 1.560 1.00 0.00 N ATOM 341 CA CYS A 26 1.390 -10.877 2.639 1.00 0.00 C ATOM 342 C CYS A 26 1.896 -9.561 3.224 1.00 0.00 C ATOM 343 O CYS A 26 2.480 -9.535 4.308 1.00 0.00 O ATOM 344 CB CYS A 26 2.569 -11.709 2.131 1.00 0.00 C ATOM 345 SG CYS A 26 3.449 -10.967 0.719 1.00 0.00 S ATOM 0 H CYS A 26 0.868 -10.504 0.643 1.00 0.00 H new ATOM 0 HA CYS A 26 0.876 -11.430 3.425 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.275 -11.856 2.948 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.206 -12.695 1.842 1.00 0.00 H new ATOM 350 N LYS A 27 1.668 -8.471 2.500 1.00 0.00 N ATOM 351 CA LYS A 27 2.098 -7.151 2.946 1.00 0.00 C ATOM 352 C LYS A 27 3.618 -7.082 3.052 1.00 0.00 C ATOM 353 O LYS A 27 4.161 -6.647 4.068 1.00 0.00 O ATOM 354 CB LYS A 27 1.467 -6.817 4.300 1.00 0.00 C ATOM 355 CG LYS A 27 -0.052 -6.853 4.288 1.00 0.00 C ATOM 356 CD LYS A 27 -0.637 -5.524 3.838 1.00 0.00 C ATOM 357 CE LYS A 27 -2.056 -5.337 4.353 1.00 0.00 C ATOM 358 NZ LYS A 27 -3.039 -6.140 3.574 1.00 0.00 N ATOM 0 H LYS A 27 1.187 -8.476 1.600 1.00 0.00 H new ATOM 0 HA LYS A 27 1.768 -6.420 2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.833 -7.522 5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.796 -5.825 4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.393 -7.646 3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.419 -7.094 5.286 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.008 -4.709 4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.634 -5.474 2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.102 -5.626 5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.326 -4.282 4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.994 -5.985 3.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.013 -5.847 2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.797 -7.149 3.645 1.00 0.00 H new ATOM 372 N LYS A 28 4.300 -7.510 1.995 1.00 0.00 N ATOM 373 CA LYS A 28 5.758 -7.494 1.967 1.00 0.00 C ATOM 374 C LYS A 28 6.273 -6.299 1.172 1.00 0.00 C ATOM 375 O LYS A 28 5.681 -5.883 0.176 1.00 0.00 O ATOM 376 CB LYS A 28 6.291 -8.793 1.358 1.00 0.00 C ATOM 377 CG LYS A 28 6.445 -9.919 2.365 1.00 0.00 C ATOM 378 CD LYS A 28 6.755 -11.240 1.682 1.00 0.00 C ATOM 379 CE LYS A 28 8.254 -11.454 1.536 1.00 0.00 C ATOM 380 NZ LYS A 28 8.851 -10.529 0.533 1.00 0.00 N ATOM 0 H LYS A 28 3.866 -7.872 1.146 1.00 0.00 H new ATOM 0 HA LYS A 28 6.116 -7.407 2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.617 -9.116 0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.258 -8.597 0.894 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.243 -9.675 3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.528 -10.016 2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.324 -12.059 2.258 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.286 -11.261 0.698 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.738 -11.305 2.501 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.447 -12.485 1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.684 -10.977 0.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.149 -10.317 -0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.138 -9.646 1.002 1.00 0.00 H new ATOM 394 N PRO A 29 7.403 -5.732 1.619 1.00 0.00 N ATOM 395 CA PRO A 29 8.024 -4.578 0.963 1.00 0.00 C ATOM 396 C PRO A 29 8.624 -4.935 -0.393 1.00 0.00 C ATOM 397 O PRO A 29 9.749 -5.431 -0.474 1.00 0.00 O ATOM 398 CB PRO A 29 9.125 -4.162 1.942 1.00 0.00 C ATOM 399 CG PRO A 29 9.450 -5.405 2.696 1.00 0.00 C ATOM 400 CD PRO A 29 8.163 -6.175 2.800 1.00 0.00 C ATOM 0 HA PRO A 29 7.300 -3.790 0.755 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.999 -3.778 1.415 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.783 -3.372 2.610 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.212 -5.987 2.178 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.845 -5.170 3.684 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.336 -7.251 2.786 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.634 -5.950 3.726 1.00 0.00 H new ATOM 408 N LEU A 30 7.868 -4.680 -1.455 1.00 0.00 N ATOM 409 CA LEU A 30 8.326 -4.975 -2.808 1.00 0.00 C ATOM 410 C LEU A 30 9.356 -3.949 -3.270 1.00 0.00 C ATOM 411 O LEU A 30 9.235 -2.760 -2.977 1.00 0.00 O ATOM 412 CB LEU A 30 7.141 -4.995 -3.775 1.00 0.00 C ATOM 413 CG LEU A 30 5.929 -5.816 -3.334 1.00 0.00 C ATOM 414 CD1 LEU A 30 4.775 -5.630 -4.308 1.00 0.00 C ATOM 415 CD2 LEU A 30 6.296 -7.287 -3.213 1.00 0.00 C ATOM 0 H LEU A 30 6.935 -4.270 -1.405 1.00 0.00 H new ATOM 0 HA LEU A 30 8.798 -5.958 -2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.817 -3.968 -3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.487 -5.381 -4.734 1.00 0.00 H new ATOM 0 HG LEU A 30 5.611 -5.461 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.921 -6.222 -3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.495 -4.577 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.081 -5.958 -5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.421 -7.856 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.641 -7.657 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.090 -7.404 -2.475 1.00 0.00 H new ATOM 427 N GLN A 31 10.367 -4.418 -3.995 1.00 0.00 N ATOM 428 CA GLN A 31 11.417 -3.540 -4.498 1.00 0.00 C ATOM 429 C GLN A 31 11.191 -3.210 -5.970 1.00 0.00 C ATOM 430 O GLN A 31 10.615 -4.004 -6.714 1.00 0.00 O ATOM 431 CB GLN A 31 12.788 -4.193 -4.314 1.00 0.00 C ATOM 432 CG GLN A 31 13.853 -3.647 -5.252 1.00 0.00 C ATOM 433 CD GLN A 31 15.248 -3.735 -4.666 1.00 0.00 C ATOM 434 OE1 GLN A 31 15.479 -4.446 -3.688 1.00 0.00 O ATOM 435 NE2 GLN A 31 16.188 -3.012 -5.263 1.00 0.00 N ATOM 0 H GLN A 31 10.481 -5.400 -4.247 1.00 0.00 H new ATOM 0 HA GLN A 31 11.385 -2.612 -3.927 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.114 -4.049 -3.284 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.693 -5.267 -4.471 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.822 -4.199 -6.191 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.627 -2.607 -5.486 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.952 -2.436 -6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.146 -3.032 -4.913 1.00 0.00 H new ATOM 444 N LYS A 32 11.649 -2.033 -6.384 1.00 0.00 N ATOM 445 CA LYS A 32 11.498 -1.597 -7.767 1.00 0.00 C ATOM 446 C LYS A 32 11.812 -2.735 -8.734 1.00 0.00 C ATOM 447 O LYS A 32 11.016 -3.049 -9.617 1.00 0.00 O ATOM 448 CB LYS A 32 12.416 -0.405 -8.051 1.00 0.00 C ATOM 449 CG LYS A 32 11.942 0.467 -9.200 1.00 0.00 C ATOM 450 CD LYS A 32 12.984 1.507 -9.577 1.00 0.00 C ATOM 451 CE LYS A 32 12.894 2.735 -8.684 1.00 0.00 C ATOM 452 NZ LYS A 32 11.654 3.518 -8.941 1.00 0.00 N ATOM 0 H LYS A 32 12.128 -1.364 -5.781 1.00 0.00 H new ATOM 0 HA LYS A 32 10.462 -1.293 -7.915 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.494 0.205 -7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.417 -0.773 -8.274 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.721 -0.158 -10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.014 0.965 -8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.980 1.071 -9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.846 1.801 -10.617 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.919 2.427 -7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.765 3.369 -8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.776 4.488 -8.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.466 3.545 -9.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.853 3.069 -8.453 1.00 0.00 H new ATOM 466 N GLY A 33 12.977 -3.350 -8.558 1.00 0.00 N ATOM 467 CA GLY A 33 13.375 -4.447 -9.421 1.00 0.00 C ATOM 468 C GLY A 33 12.442 -5.637 -9.312 1.00 0.00 C ATOM 469 O GLY A 33 12.067 -6.233 -10.321 1.00 0.00 O ATOM 0 H GLY A 33 13.653 -3.108 -7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.400 -4.102 -10.455 1.00 0.00 H new ATOM 0 HA3 GLY A 33 14.388 -4.758 -9.165 1.00 0.00 H new ATOM 473 N GLN A 34 12.070 -5.985 -8.085 1.00 0.00 N ATOM 474 CA GLN A 34 11.178 -7.114 -7.849 1.00 0.00 C ATOM 475 C GLN A 34 9.920 -7.002 -8.703 1.00 0.00 C ATOM 476 O GLN A 34 9.292 -5.944 -8.768 1.00 0.00 O ATOM 477 CB GLN A 34 10.798 -7.190 -6.369 1.00 0.00 C ATOM 478 CG GLN A 34 11.910 -7.725 -5.482 1.00 0.00 C ATOM 479 CD GLN A 34 12.399 -9.092 -5.919 1.00 0.00 C ATOM 480 OE1 GLN A 34 11.715 -9.802 -6.658 1.00 0.00 O ATOM 481 NE2 GLN A 34 13.589 -9.469 -5.466 1.00 0.00 N ATOM 0 H GLN A 34 12.372 -5.502 -7.239 1.00 0.00 H new ATOM 0 HA GLN A 34 11.706 -8.026 -8.129 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.516 -6.196 -6.023 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.920 -7.826 -6.260 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.745 -7.025 -5.491 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.553 -7.783 -4.454 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.122 -8.849 -4.856 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.970 -10.378 -5.728 1.00 0.00 H new ATOM 490 N THR A 35 9.557 -8.099 -9.360 1.00 0.00 N ATOM 491 CA THR A 35 8.375 -8.124 -10.212 1.00 0.00 C ATOM 492 C THR A 35 7.098 -8.155 -9.381 1.00 0.00 C ATOM 493 O THR A 35 7.095 -8.633 -8.247 1.00 0.00 O ATOM 494 CB THR A 35 8.388 -9.341 -11.156 1.00 0.00 C ATOM 495 OG1 THR A 35 7.390 -9.185 -12.171 1.00 0.00 O ATOM 496 CG2 THR A 35 8.137 -10.628 -10.384 1.00 0.00 C ATOM 0 H THR A 35 10.065 -8.982 -9.318 1.00 0.00 H new ATOM 0 HA THR A 35 8.396 -7.211 -10.807 1.00 0.00 H new ATOM 0 HB THR A 35 9.372 -9.401 -11.621 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.406 -9.962 -12.768 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.151 -11.473 -11.072 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.915 -10.759 -9.632 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.165 -10.575 -9.894 1.00 0.00 H new ATOM 504 N ALA A 36 6.012 -7.643 -9.952 1.00 0.00 N ATOM 505 CA ALA A 36 4.728 -7.614 -9.264 1.00 0.00 C ATOM 506 C ALA A 36 3.619 -8.176 -10.147 1.00 0.00 C ATOM 507 O ALA A 36 3.630 -7.993 -11.365 1.00 0.00 O ATOM 508 CB ALA A 36 4.392 -6.194 -8.831 1.00 0.00 C ATOM 0 H ALA A 36 5.997 -7.243 -10.890 1.00 0.00 H new ATOM 0 HA ALA A 36 4.805 -8.243 -8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.430 -6.188 -8.318 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.165 -5.827 -8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.340 -5.549 -9.708 1.00 0.00 H new ATOM 514 N TYR A 37 2.665 -8.861 -9.527 1.00 0.00 N ATOM 515 CA TYR A 37 1.551 -9.453 -10.258 1.00 0.00 C ATOM 516 C TYR A 37 0.279 -8.632 -10.070 1.00 0.00 C ATOM 517 O TYR A 37 -0.029 -8.190 -8.963 1.00 0.00 O ATOM 518 CB TYR A 37 1.316 -10.891 -9.794 1.00 0.00 C ATOM 519 CG TYR A 37 2.425 -11.842 -10.182 1.00 0.00 C ATOM 520 CD1 TYR A 37 3.727 -11.640 -9.739 1.00 0.00 C ATOM 521 CD2 TYR A 37 2.173 -12.941 -10.993 1.00 0.00 C ATOM 522 CE1 TYR A 37 4.744 -12.505 -10.092 1.00 0.00 C ATOM 523 CE2 TYR A 37 3.184 -13.813 -11.350 1.00 0.00 C ATOM 524 CZ TYR A 37 4.468 -13.590 -10.897 1.00 0.00 C ATOM 525 OH TYR A 37 5.478 -14.455 -11.252 1.00 0.00 O ATOM 0 H TYR A 37 2.641 -9.020 -8.520 1.00 0.00 H new ATOM 0 HA TYR A 37 1.806 -9.457 -11.318 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.204 -10.900 -8.710 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.377 -11.251 -10.215 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.947 -10.792 -9.108 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.169 -13.117 -11.351 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.750 -12.333 -9.739 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.970 -14.664 -11.980 1.00 0.00 H new ATOM 0 HH TYR A 37 5.115 -15.166 -11.821 1.00 0.00 H new ATOM 535 N GLN A 38 -0.456 -8.433 -11.159 1.00 0.00 N ATOM 536 CA GLN A 38 -1.695 -7.665 -11.116 1.00 0.00 C ATOM 537 C GLN A 38 -2.865 -8.490 -11.641 1.00 0.00 C ATOM 538 O GLN A 38 -2.736 -9.207 -12.633 1.00 0.00 O ATOM 539 CB GLN A 38 -1.553 -6.381 -11.934 1.00 0.00 C ATOM 540 CG GLN A 38 -2.400 -5.231 -11.414 1.00 0.00 C ATOM 541 CD GLN A 38 -3.867 -5.595 -11.295 1.00 0.00 C ATOM 542 OE1 GLN A 38 -4.467 -6.120 -12.234 1.00 0.00 O ATOM 543 NE2 GLN A 38 -4.454 -5.318 -10.136 1.00 0.00 N ATOM 0 H GLN A 38 -0.215 -8.793 -12.082 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.895 -7.404 -10.077 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.506 -6.077 -11.939 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.830 -6.586 -12.968 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.026 -4.921 -10.438 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.295 -4.376 -12.082 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.919 -4.883 -9.385 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.440 -5.541 -9.997 1.00 0.00 H new ATOM 552 N ARG A 39 -4.007 -8.383 -10.968 1.00 0.00 N ATOM 553 CA ARG A 39 -5.200 -9.120 -11.366 1.00 0.00 C ATOM 554 C ARG A 39 -6.200 -8.201 -12.061 1.00 0.00 C ATOM 555 O ARG A 39 -6.769 -7.303 -11.440 1.00 0.00 O ATOM 556 CB ARG A 39 -5.852 -9.774 -10.147 1.00 0.00 C ATOM 557 CG ARG A 39 -7.131 -10.528 -10.471 1.00 0.00 C ATOM 558 CD ARG A 39 -7.562 -11.416 -9.314 1.00 0.00 C ATOM 559 NE ARG A 39 -8.256 -10.662 -8.274 1.00 0.00 N ATOM 560 CZ ARG A 39 -7.631 -10.012 -7.298 1.00 0.00 C ATOM 561 NH1 ARG A 39 -6.307 -10.025 -7.229 1.00 0.00 N ATOM 562 NH2 ARG A 39 -8.332 -9.348 -6.387 1.00 0.00 N ATOM 0 H ARG A 39 -4.130 -7.793 -10.145 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.899 -9.897 -12.068 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.140 -10.462 -9.691 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.071 -9.005 -9.407 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.925 -9.818 -10.701 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.980 -11.137 -11.362 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.215 -12.205 -9.687 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.686 -11.903 -8.885 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.275 -10.633 -8.298 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.765 -10.535 -7.926 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.830 -9.525 -6.478 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.351 -9.337 -6.436 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.852 -8.849 -5.638 1.00 0.00 H new ATOM 576 N LYS A 40 -6.410 -8.432 -13.352 1.00 0.00 N ATOM 577 CA LYS A 40 -7.343 -7.626 -14.132 1.00 0.00 C ATOM 578 C LYS A 40 -8.530 -7.191 -13.280 1.00 0.00 C ATOM 579 O LYS A 40 -9.062 -7.973 -12.493 1.00 0.00 O ATOM 580 CB LYS A 40 -7.836 -8.414 -15.348 1.00 0.00 C ATOM 581 CG LYS A 40 -8.477 -9.744 -14.992 1.00 0.00 C ATOM 582 CD LYS A 40 -9.126 -10.392 -16.203 1.00 0.00 C ATOM 583 CE LYS A 40 -10.385 -9.650 -16.625 1.00 0.00 C ATOM 584 NZ LYS A 40 -11.434 -9.694 -15.569 1.00 0.00 N ATOM 0 H LYS A 40 -5.947 -9.171 -13.881 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.817 -6.734 -14.473 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.558 -7.807 -15.895 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.996 -8.593 -16.019 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.722 -10.414 -14.580 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.226 -9.592 -14.215 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.418 -10.409 -17.031 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.373 -11.429 -15.974 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.137 -8.612 -16.848 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.775 -10.089 -17.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.362 -9.492 -15.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.450 -10.639 -15.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.224 -8.982 -14.841 1.00 0.00 H new ATOM 598 N GLY A 41 -8.941 -5.937 -13.443 1.00 0.00 N ATOM 599 CA GLY A 41 -10.064 -5.419 -12.683 1.00 0.00 C ATOM 600 C GLY A 41 -9.662 -4.955 -11.297 1.00 0.00 C ATOM 601 O GLY A 41 -9.940 -3.821 -10.910 1.00 0.00 O ATOM 0 H GLY A 41 -8.516 -5.271 -14.088 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.513 -4.587 -13.225 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.828 -6.192 -12.597 1.00 0.00 H new ATOM 605 N SER A 42 -9.005 -5.835 -10.547 1.00 0.00 N ATOM 606 CA SER A 42 -8.569 -5.511 -9.194 1.00 0.00 C ATOM 607 C SER A 42 -7.668 -4.280 -9.195 1.00 0.00 C ATOM 608 O SER A 42 -6.913 -4.049 -10.139 1.00 0.00 O ATOM 609 CB SER A 42 -7.828 -6.699 -8.577 1.00 0.00 C ATOM 610 OG SER A 42 -7.288 -6.361 -7.311 1.00 0.00 O ATOM 0 H SER A 42 -8.763 -6.777 -10.854 1.00 0.00 H new ATOM 0 HA SER A 42 -9.453 -5.293 -8.595 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.510 -7.542 -8.471 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.027 -7.018 -9.244 1.00 0.00 H new ATOM 0 HG SER A 42 -6.821 -7.137 -6.937 1.00 0.00 H new ATOM 616 N ALA A 43 -7.753 -3.492 -8.128 1.00 0.00 N ATOM 617 CA ALA A 43 -6.946 -2.285 -8.003 1.00 0.00 C ATOM 618 C ALA A 43 -5.867 -2.454 -6.938 1.00 0.00 C ATOM 619 O ALA A 43 -5.604 -1.541 -6.155 1.00 0.00 O ATOM 620 CB ALA A 43 -7.829 -1.090 -7.677 1.00 0.00 C ATOM 0 H ALA A 43 -8.373 -3.668 -7.338 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.453 -2.108 -8.959 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.212 -0.196 -7.587 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.559 -0.949 -8.474 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.350 -1.268 -6.736 1.00 0.00 H new ATOM 626 N HIS A 44 -5.245 -3.629 -6.914 1.00 0.00 N ATOM 627 CA HIS A 44 -4.194 -3.918 -5.944 1.00 0.00 C ATOM 628 C HIS A 44 -3.093 -4.767 -6.573 1.00 0.00 C ATOM 629 O HIS A 44 -3.352 -5.575 -7.466 1.00 0.00 O ATOM 630 CB HIS A 44 -4.778 -4.637 -4.728 1.00 0.00 C ATOM 631 CG HIS A 44 -5.351 -3.710 -3.701 1.00 0.00 C ATOM 632 ND1 HIS A 44 -6.342 -4.085 -2.818 1.00 0.00 N ATOM 633 CD2 HIS A 44 -5.067 -2.417 -3.419 1.00 0.00 C ATOM 634 CE1 HIS A 44 -6.643 -3.062 -2.038 1.00 0.00 C ATOM 635 NE2 HIS A 44 -5.884 -2.038 -2.382 1.00 0.00 N ATOM 0 H HIS A 44 -5.450 -4.396 -7.555 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.759 -2.972 -5.623 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.557 -5.323 -5.061 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.998 -5.242 -4.265 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.335 -1.799 -3.917 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.384 -3.063 -1.252 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.901 -1.115 -1.948 1.00 0.00 H new ATOM 644 N LEU A 45 -1.866 -4.577 -6.102 1.00 0.00 N ATOM 645 CA LEU A 45 -0.725 -5.325 -6.618 1.00 0.00 C ATOM 646 C LEU A 45 -0.353 -6.469 -5.680 1.00 0.00 C ATOM 647 O LEU A 45 -0.862 -6.558 -4.562 1.00 0.00 O ATOM 648 CB LEU A 45 0.475 -4.396 -6.809 1.00 0.00 C ATOM 649 CG LEU A 45 0.420 -3.468 -8.023 1.00 0.00 C ATOM 650 CD1 LEU A 45 1.571 -2.475 -7.988 1.00 0.00 C ATOM 651 CD2 LEU A 45 0.448 -4.275 -9.312 1.00 0.00 C ATOM 0 H LEU A 45 -1.635 -3.912 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.006 -5.748 -7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.581 -3.784 -5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.374 -5.008 -6.885 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.515 -2.910 -7.988 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.516 -1.823 -8.860 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.506 -1.874 -7.081 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.518 -3.015 -7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.408 -3.599 -10.166 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.367 -4.860 -9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.411 -4.946 -9.340 1.00 0.00 H new ATOM 663 N PHE A 46 0.538 -7.340 -6.141 1.00 0.00 N ATOM 664 CA PHE A 46 0.980 -8.477 -5.342 1.00 0.00 C ATOM 665 C PHE A 46 2.453 -8.781 -5.596 1.00 0.00 C ATOM 666 O PHE A 46 3.021 -8.361 -6.605 1.00 0.00 O ATOM 667 CB PHE A 46 0.130 -9.710 -5.659 1.00 0.00 C ATOM 668 CG PHE A 46 -1.325 -9.535 -5.332 1.00 0.00 C ATOM 669 CD1 PHE A 46 -1.806 -9.836 -4.068 1.00 0.00 C ATOM 670 CD2 PHE A 46 -2.212 -9.070 -6.290 1.00 0.00 C ATOM 671 CE1 PHE A 46 -3.145 -9.677 -3.766 1.00 0.00 C ATOM 672 CE2 PHE A 46 -3.552 -8.908 -5.993 1.00 0.00 C ATOM 673 CZ PHE A 46 -4.019 -9.211 -4.729 1.00 0.00 C ATOM 0 H PHE A 46 0.968 -7.280 -7.064 1.00 0.00 H new ATOM 0 HA PHE A 46 0.857 -8.220 -4.290 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.230 -9.948 -6.718 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.519 -10.563 -5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.127 -10.199 -3.311 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.852 -8.832 -7.280 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.508 -9.917 -2.778 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.233 -8.545 -6.748 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.065 -9.084 -4.494 1.00 0.00 H new ATOM 683 N CYS A 47 3.067 -9.515 -4.674 1.00 0.00 N ATOM 684 CA CYS A 47 4.475 -9.875 -4.795 1.00 0.00 C ATOM 685 C CYS A 47 4.664 -10.986 -5.824 1.00 0.00 C ATOM 686 O CYS A 47 5.611 -10.963 -6.610 1.00 0.00 O ATOM 687 CB CYS A 47 5.027 -10.321 -3.440 1.00 0.00 C ATOM 688 SG CYS A 47 4.437 -11.956 -2.897 1.00 0.00 S ATOM 0 H CYS A 47 2.611 -9.872 -3.834 1.00 0.00 H new ATOM 0 HA CYS A 47 5.023 -8.994 -5.131 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.116 -10.338 -3.491 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.755 -9.581 -2.688 1.00 0.00 H new ATOM 693 N SER A 48 3.757 -11.958 -5.812 1.00 0.00 N ATOM 694 CA SER A 48 3.826 -13.079 -6.741 1.00 0.00 C ATOM 695 C SER A 48 2.441 -13.673 -6.980 1.00 0.00 C ATOM 696 O SER A 48 1.553 -13.570 -6.132 1.00 0.00 O ATOM 697 CB SER A 48 4.770 -14.157 -6.204 1.00 0.00 C ATOM 698 OG SER A 48 4.930 -15.208 -7.141 1.00 0.00 O ATOM 0 H SER A 48 2.966 -11.991 -5.169 1.00 0.00 H new ATOM 0 HA SER A 48 4.212 -12.708 -7.691 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.741 -13.715 -5.979 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.377 -14.556 -5.269 1.00 0.00 H new ATOM 0 HG SER A 48 5.539 -15.883 -6.775 1.00 0.00 H new ATOM 704 N THR A 49 2.263 -14.296 -8.140 1.00 0.00 N ATOM 705 CA THR A 49 0.987 -14.906 -8.493 1.00 0.00 C ATOM 706 C THR A 49 0.414 -15.697 -7.322 1.00 0.00 C ATOM 707 O THR A 49 -0.803 -15.830 -7.185 1.00 0.00 O ATOM 708 CB THR A 49 1.128 -15.840 -9.709 1.00 0.00 C ATOM 709 OG1 THR A 49 -0.126 -16.475 -9.987 1.00 0.00 O ATOM 710 CG2 THR A 49 2.193 -16.897 -9.460 1.00 0.00 C ATOM 0 H THR A 49 2.987 -14.392 -8.852 1.00 0.00 H new ATOM 0 HA THR A 49 0.307 -14.093 -8.747 1.00 0.00 H new ATOM 0 HB THR A 49 1.429 -15.239 -10.567 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.029 -17.066 -10.763 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.274 -17.545 -10.333 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.152 -16.412 -9.278 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.917 -17.493 -8.590 1.00 0.00 H new ATOM 718 N THR A 50 1.298 -16.222 -6.479 1.00 0.00 N ATOM 719 CA THR A 50 0.880 -17.001 -5.321 1.00 0.00 C ATOM 720 C THR A 50 -0.099 -16.216 -4.455 1.00 0.00 C ATOM 721 O THR A 50 -1.071 -16.770 -3.941 1.00 0.00 O ATOM 722 CB THR A 50 2.087 -17.420 -4.460 1.00 0.00 C ATOM 723 OG1 THR A 50 3.080 -18.044 -5.281 1.00 0.00 O ATOM 724 CG2 THR A 50 1.659 -18.375 -3.357 1.00 0.00 C ATOM 0 H THR A 50 2.308 -16.121 -6.577 1.00 0.00 H new ATOM 0 HA THR A 50 0.388 -17.895 -5.703 1.00 0.00 H new ATOM 0 HB THR A 50 2.506 -16.525 -4.000 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.845 -18.306 -4.727 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.528 -18.657 -2.762 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.925 -17.886 -2.717 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.217 -19.268 -3.800 1.00 0.00 H new ATOM 732 N CYS A 51 0.163 -14.923 -4.297 1.00 0.00 N ATOM 733 CA CYS A 51 -0.695 -14.061 -3.493 1.00 0.00 C ATOM 734 C CYS A 51 -1.840 -13.500 -4.331 1.00 0.00 C ATOM 735 O CYS A 51 -3.011 -13.634 -3.972 1.00 0.00 O ATOM 736 CB CYS A 51 0.119 -12.915 -2.890 1.00 0.00 C ATOM 737 SG CYS A 51 1.179 -13.411 -1.493 1.00 0.00 S ATOM 0 H CYS A 51 0.963 -14.449 -4.715 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.117 -14.661 -2.687 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.744 -12.478 -3.669 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.565 -12.135 -2.555 1.00 0.00 H new ATOM 742 N LEU A 52 -1.494 -12.871 -5.449 1.00 0.00 N ATOM 743 CA LEU A 52 -2.493 -12.289 -6.340 1.00 0.00 C ATOM 744 C LEU A 52 -3.717 -13.192 -6.450 1.00 0.00 C ATOM 745 O LEU A 52 -4.851 -12.716 -6.483 1.00 0.00 O ATOM 746 CB LEU A 52 -1.892 -12.052 -7.726 1.00 0.00 C ATOM 747 CG LEU A 52 -2.885 -12.000 -8.888 1.00 0.00 C ATOM 748 CD1 LEU A 52 -2.401 -11.037 -9.961 1.00 0.00 C ATOM 749 CD2 LEU A 52 -3.097 -13.389 -9.472 1.00 0.00 C ATOM 0 H LEU A 52 -0.530 -12.751 -5.760 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.807 -11.334 -5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.339 -11.113 -7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.169 -12.843 -7.927 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.840 -11.638 -8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.120 -11.013 -10.780 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.302 -10.038 -9.536 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.433 -11.368 -10.338 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.807 -13.332 -10.298 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.147 -13.779 -9.836 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.490 -14.052 -8.701 1.00 0.00 H new ATOM 761 N SER A 53 -3.478 -14.499 -6.506 1.00 0.00 N ATOM 762 CA SER A 53 -4.561 -15.470 -6.615 1.00 0.00 C ATOM 763 C SER A 53 -5.084 -15.856 -5.235 1.00 0.00 C ATOM 764 O SER A 53 -6.292 -15.963 -5.024 1.00 0.00 O ATOM 765 CB SER A 53 -4.082 -16.718 -7.359 1.00 0.00 C ATOM 766 OG SER A 53 -5.112 -17.687 -7.443 1.00 0.00 O ATOM 0 H SER A 53 -2.545 -14.909 -6.478 1.00 0.00 H new ATOM 0 HA SER A 53 -5.374 -15.010 -7.177 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.753 -16.444 -8.361 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.219 -17.143 -6.846 1.00 0.00 H new ATOM 0 HG SER A 53 -4.782 -18.474 -7.924 1.00 0.00 H new ATOM 772 N SER A 54 -4.165 -16.066 -4.297 1.00 0.00 N ATOM 773 CA SER A 54 -4.532 -16.444 -2.938 1.00 0.00 C ATOM 774 C SER A 54 -5.569 -15.482 -2.367 1.00 0.00 C ATOM 775 O SER A 54 -6.583 -15.904 -1.810 1.00 0.00 O ATOM 776 CB SER A 54 -3.293 -16.468 -2.040 1.00 0.00 C ATOM 777 OG SER A 54 -3.641 -16.766 -0.699 1.00 0.00 O ATOM 0 H SER A 54 -3.161 -15.981 -4.454 1.00 0.00 H new ATOM 0 HA SER A 54 -4.968 -17.443 -2.971 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.587 -17.211 -2.409 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.790 -15.502 -2.082 1.00 0.00 H new ATOM 0 HG SER A 54 -2.832 -16.777 -0.146 1.00 0.00 H new ATOM 783 N PHE A 55 -5.308 -14.187 -2.510 1.00 0.00 N ATOM 784 CA PHE A 55 -6.218 -13.164 -2.009 1.00 0.00 C ATOM 785 C PHE A 55 -7.665 -13.511 -2.344 1.00 0.00 C ATOM 786 O PHE A 55 -8.554 -13.394 -1.501 1.00 0.00 O ATOM 787 CB PHE A 55 -5.859 -11.799 -2.599 1.00 0.00 C ATOM 788 CG PHE A 55 -6.443 -10.644 -1.838 1.00 0.00 C ATOM 789 CD1 PHE A 55 -5.766 -10.092 -0.762 1.00 0.00 C ATOM 790 CD2 PHE A 55 -7.670 -10.110 -2.197 1.00 0.00 C ATOM 791 CE1 PHE A 55 -6.301 -9.029 -0.059 1.00 0.00 C ATOM 792 CE2 PHE A 55 -8.210 -9.046 -1.498 1.00 0.00 C ATOM 793 CZ PHE A 55 -7.525 -8.506 -0.427 1.00 0.00 C ATOM 0 H PHE A 55 -4.474 -13.821 -2.969 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.115 -13.122 -0.925 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.774 -11.697 -2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.206 -11.756 -3.631 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.809 -10.497 -0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.211 -10.530 -3.032 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.762 -8.608 0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.166 -8.638 -1.789 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.946 -7.676 0.122 1.00 0.00 H new ATOM 803 N SER A 56 -7.893 -13.939 -3.582 1.00 0.00 N ATOM 804 CA SER A 56 -9.233 -14.300 -4.031 1.00 0.00 C ATOM 805 C SER A 56 -9.944 -15.157 -2.988 1.00 0.00 C ATOM 806 O SER A 56 -11.003 -14.787 -2.482 1.00 0.00 O ATOM 807 CB SER A 56 -9.163 -15.050 -5.362 1.00 0.00 C ATOM 808 OG SER A 56 -10.421 -15.051 -6.014 1.00 0.00 O ATOM 0 H SER A 56 -7.168 -14.044 -4.291 1.00 0.00 H new ATOM 0 HA SER A 56 -9.802 -13.381 -4.169 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.417 -14.585 -6.006 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.839 -16.076 -5.188 1.00 0.00 H new ATOM 0 HG SER A 56 -10.349 -15.535 -6.863 1.00 0.00 H new ATOM 814 N SER A 57 -9.352 -16.304 -2.671 1.00 0.00 N ATOM 815 CA SER A 57 -9.929 -17.217 -1.691 1.00 0.00 C ATOM 816 C SER A 57 -10.072 -16.537 -0.333 1.00 0.00 C ATOM 817 O SER A 57 -11.135 -16.577 0.285 1.00 0.00 O ATOM 818 CB SER A 57 -9.062 -18.470 -1.558 1.00 0.00 C ATOM 819 OG SER A 57 -9.750 -19.494 -0.860 1.00 0.00 O ATOM 0 H SER A 57 -8.473 -16.623 -3.078 1.00 0.00 H new ATOM 0 HA SER A 57 -10.921 -17.505 -2.039 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.779 -18.827 -2.548 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.139 -18.224 -1.032 1.00 0.00 H new ATOM 0 HG SER A 57 -9.176 -20.285 -0.790 1.00 0.00 H new ATOM 825 N GLY A 58 -8.992 -15.911 0.125 1.00 0.00 N ATOM 826 CA GLY A 58 -9.017 -15.230 1.407 1.00 0.00 C ATOM 827 C GLY A 58 -7.637 -14.795 1.858 1.00 0.00 C ATOM 828 O GLY A 58 -6.650 -15.511 1.688 1.00 0.00 O ATOM 0 H GLY A 58 -8.101 -15.863 -0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.666 -14.357 1.339 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.450 -15.891 2.158 1.00 0.00 H new ATOM 832 N PRO A 59 -7.555 -13.593 2.448 1.00 0.00 N ATOM 833 CA PRO A 59 -6.290 -13.035 2.936 1.00 0.00 C ATOM 834 C PRO A 59 -5.762 -13.779 4.158 1.00 0.00 C ATOM 835 O PRO A 59 -6.533 -14.204 5.019 1.00 0.00 O ATOM 836 CB PRO A 59 -6.656 -11.595 3.304 1.00 0.00 C ATOM 837 CG PRO A 59 -8.116 -11.638 3.596 1.00 0.00 C ATOM 838 CD PRO A 59 -8.691 -12.686 2.683 1.00 0.00 C ATOM 0 HA PRO A 59 -5.497 -13.111 2.192 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.089 -11.251 4.169 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.436 -10.909 2.486 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.298 -11.889 4.641 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -8.579 -10.668 3.416 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -9.531 -13.205 3.145 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -9.058 -12.252 1.753 1.00 0.00 H new ATOM 846 N SER A 60 -4.444 -13.933 4.228 1.00 0.00 N ATOM 847 CA SER A 60 -3.813 -14.629 5.343 1.00 0.00 C ATOM 848 C SER A 60 -2.875 -13.697 6.104 1.00 0.00 C ATOM 849 O SER A 60 -1.713 -13.531 5.734 1.00 0.00 O ATOM 850 CB SER A 60 -3.040 -15.849 4.839 1.00 0.00 C ATOM 851 OG SER A 60 -3.887 -16.727 4.118 1.00 0.00 O ATOM 0 H SER A 60 -3.792 -13.585 3.525 1.00 0.00 H new ATOM 0 HA SER A 60 -4.598 -14.961 6.023 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.219 -15.525 4.200 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.597 -16.377 5.683 1.00 0.00 H new ATOM 0 HG SER A 60 -3.369 -17.498 3.805 1.00 0.00 H new ATOM 857 N SER A 61 -3.388 -13.092 7.170 1.00 0.00 N ATOM 858 CA SER A 61 -2.599 -12.173 7.982 1.00 0.00 C ATOM 859 C SER A 61 -1.942 -12.906 9.148 1.00 0.00 C ATOM 860 O SER A 61 -2.597 -13.651 9.876 1.00 0.00 O ATOM 861 CB SER A 61 -3.479 -11.039 8.509 1.00 0.00 C ATOM 862 OG SER A 61 -4.399 -11.515 9.476 1.00 0.00 O ATOM 0 H SER A 61 -4.347 -13.222 7.492 1.00 0.00 H new ATOM 0 HA SER A 61 -1.816 -11.752 7.352 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.853 -10.263 8.949 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.021 -10.580 7.682 1.00 0.00 H new ATOM 0 HG SER A 61 -4.949 -10.771 9.799 1.00 0.00 H new ATOM 868 N GLY A 62 -0.641 -12.689 9.318 1.00 0.00 N ATOM 869 CA GLY A 62 0.084 -13.336 10.396 1.00 0.00 C ATOM 870 C GLY A 62 1.568 -13.028 10.363 1.00 0.00 C ATOM 871 O GLY A 62 2.019 -12.353 9.439 1.00 0.00 O ATOM 0 H GLY A 62 -0.077 -12.077 8.729 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.329 -13.015 11.352 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.062 -14.414 10.332 1.00 0.00 H new TER 875 GLY A 62 HETATM 876 ZN ZN A 101 2.701 -11.650 -1.379 1.00 0.00 ZN