USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 677 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.12 (180deg=-0.0399) USER MOD Single : A 5 MET CE :methyl -121:sc= -7.6! (180deg=-17.1!) USER MOD Single : A 8 LYS NZ :NH3+ 167:sc=-0.00847 (180deg=-0.161) USER MOD Single : A 12 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.89!) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0744 USER MOD Single : A 15 SER OG : rot 34:sc= 0.991 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0882 USER MOD Single : A 18 THR OG1 : rot -23:sc= -1.29! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -140:sc= -0.645 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 156:sc= -0.0616 (180deg=-0.373) USER MOD Single : A 34 THR OG1 : rot -23:sc= 0.196 USER MOD Single : A 36 THR OG1 : rot -63:sc= -0.318 USER MOD Single : A 43 GLN : amide:sc= -0.343 X(o=-0.34,f=0.03) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -130:sc= -0.029 (180deg=-1.05) USER MOD Single : A 57 ASN : amide:sc= -0.0717 K(o=-0.072,f=-1) USER MOD Single : A 60 LYS NZ :NH3+ 152:sc= -0.185 (180deg=-0.786) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0203) USER MOD Single : A 69 ASN : amide:sc= -0.0526 X(o=-0.053,f=0) USER MOD Single : A 70 THR OG1 : rot -80:sc= 0.086 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -166:sc= 0 (180deg=-0.249) USER MOD Single : A 74 MET CE :methyl 157:sc= -0.0218 (180deg=-1.78) USER MOD Single : A 75 MET CE :methyl -122:sc= -2.14 (180deg=-5.05!) USER MOD Single : A 77 THR OG1 : rot 147:sc= 0.439 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.094 0.536 -0.027 1.00 0.00 N ATOM 2 CA MET A 1 1.761 -0.076 -1.170 1.00 0.00 C ATOM 3 C MET A 1 3.191 -0.473 -0.817 1.00 0.00 C ATOM 4 O MET A 1 3.642 -0.266 0.310 1.00 0.00 O ATOM 5 CB MET A 1 1.766 0.886 -2.360 1.00 0.00 C ATOM 6 CG MET A 1 0.412 1.021 -3.037 1.00 0.00 C ATOM 7 SD MET A 1 0.393 2.307 -4.301 1.00 0.00 S ATOM 8 CE MET A 1 -1.305 2.205 -4.863 1.00 0.00 C ATOM 0 H1 MET A 1 0.255 -0.024 0.226 1.00 0.00 H new ATOM 0 H2 MET A 1 1.748 0.566 0.781 1.00 0.00 H new ATOM 0 H3 MET A 1 0.803 1.504 -0.272 1.00 0.00 H new ATOM 0 HA MET A 1 1.209 -0.976 -1.441 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.093 1.869 -2.021 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.497 0.542 -3.092 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.140 0.068 -3.490 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.345 1.244 -2.285 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.473 2.942 -5.648 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.499 1.206 -5.254 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.977 2.405 -4.028 1.00 0.00 H new ATOM 18 N ALA A 2 3.898 -1.044 -1.786 1.00 0.00 N ATOM 19 CA ALA A 2 5.277 -1.468 -1.577 1.00 0.00 C ATOM 20 C ALA A 2 6.233 -0.692 -2.477 1.00 0.00 C ATOM 21 O ALA A 2 6.194 -0.825 -3.701 1.00 0.00 O ATOM 22 CB ALA A 2 5.413 -2.963 -1.824 1.00 0.00 C ATOM 0 H ALA A 2 3.539 -1.224 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 2 5.543 -1.256 -0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.448 -3.265 -1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.766 -3.506 -1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.123 -3.190 -2.850 1.00 0.00 H new ATOM 28 N LEU A 3 7.089 0.118 -1.865 1.00 0.00 N ATOM 29 CA LEU A 3 8.054 0.917 -2.612 1.00 0.00 C ATOM 30 C LEU A 3 9.406 0.213 -2.680 1.00 0.00 C ATOM 31 O LEU A 3 9.896 -0.339 -1.694 1.00 0.00 O ATOM 32 CB LEU A 3 8.215 2.294 -1.965 1.00 0.00 C ATOM 33 CG LEU A 3 6.957 2.891 -1.336 1.00 0.00 C ATOM 34 CD1 LEU A 3 6.852 2.495 0.128 1.00 0.00 C ATOM 35 CD2 LEU A 3 6.955 4.406 -1.482 1.00 0.00 C ATOM 0 H LEU A 3 7.135 0.239 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 3 7.678 1.041 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.984 2.224 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.583 2.988 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 3 6.088 2.494 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.950 2.930 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.806 1.409 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.725 2.862 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.052 4.814 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.831 4.821 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.981 4.670 -2.539 1.00 0.00 H new ATOM 47 N PRO A 4 10.025 0.234 -3.869 1.00 0.00 N ATOM 48 CA PRO A 4 11.330 -0.395 -4.094 1.00 0.00 C ATOM 49 C PRO A 4 12.459 0.343 -3.383 1.00 0.00 C ATOM 50 O PRO A 4 13.209 1.095 -4.004 1.00 0.00 O ATOM 51 CB PRO A 4 11.508 -0.311 -5.612 1.00 0.00 C ATOM 52 CG PRO A 4 10.673 0.850 -6.027 1.00 0.00 C ATOM 53 CD PRO A 4 9.499 0.874 -5.087 1.00 0.00 C ATOM 0 HA PRO A 4 11.365 -1.412 -3.703 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.554 -0.163 -5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.181 -1.229 -6.100 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.240 1.779 -5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.343 0.744 -7.060 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.161 1.892 -4.892 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.648 0.327 -5.493 1.00 0.00 H new ATOM 61 N MET A 5 12.575 0.123 -2.077 1.00 0.00 N ATOM 62 CA MET A 5 13.615 0.767 -1.283 1.00 0.00 C ATOM 63 C MET A 5 14.560 -0.269 -0.683 1.00 0.00 C ATOM 64 O MET A 5 14.271 -1.466 -0.694 1.00 0.00 O ATOM 65 CB MET A 5 12.988 1.608 -0.170 1.00 0.00 C ATOM 66 CG MET A 5 11.651 2.223 -0.551 1.00 0.00 C ATOM 67 SD MET A 5 11.027 3.360 0.701 1.00 0.00 S ATOM 68 CE MET A 5 10.004 4.438 -0.300 1.00 0.00 C ATOM 0 H MET A 5 11.962 -0.496 -1.547 1.00 0.00 H new ATOM 0 HA MET A 5 14.190 1.419 -1.941 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.853 0.984 0.713 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.679 2.404 0.105 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.756 2.753 -1.498 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.922 1.428 -0.710 1.00 0.00 H new ATOM 0 HE1 MET A 5 10.359 5.465 -0.208 1.00 0.00 H new ATOM 0 HE2 MET A 5 10.059 4.127 -1.343 1.00 0.00 H new ATOM 0 HE3 MET A 5 8.971 4.379 0.042 1.00 0.00 H new ATOM 78 N ILE A 6 15.688 0.199 -0.160 1.00 0.00 N ATOM 79 CA ILE A 6 16.675 -0.688 0.445 1.00 0.00 C ATOM 80 C ILE A 6 16.719 -0.509 1.958 1.00 0.00 C ATOM 81 O ILE A 6 16.648 0.611 2.464 1.00 0.00 O ATOM 82 CB ILE A 6 18.081 -0.442 -0.132 1.00 0.00 C ATOM 83 CG1 ILE A 6 18.093 -0.711 -1.638 1.00 0.00 C ATOM 84 CG2 ILE A 6 19.105 -1.317 0.576 1.00 0.00 C ATOM 85 CD1 ILE A 6 19.365 -0.260 -2.322 1.00 0.00 C ATOM 0 H ILE A 6 15.942 1.187 -0.143 1.00 0.00 H new ATOM 0 HA ILE A 6 16.369 -1.708 0.211 1.00 0.00 H new ATOM 0 HB ILE A 6 18.347 0.602 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.957 -1.779 -1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.244 -0.204 -2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 6 20.094 -1.132 0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 6 19.112 -1.081 1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.844 -2.366 0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.304 -0.482 -3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.493 0.813 -2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.216 -0.786 -1.890 1.00 0.00 H new ATOM 97 N VAL A 7 16.840 -1.621 2.677 1.00 0.00 N ATOM 98 CA VAL A 7 16.897 -1.588 4.133 1.00 0.00 C ATOM 99 C VAL A 7 18.334 -1.704 4.629 1.00 0.00 C ATOM 100 O VAL A 7 19.066 -2.613 4.239 1.00 0.00 O ATOM 101 CB VAL A 7 16.059 -2.720 4.754 1.00 0.00 C ATOM 102 CG1 VAL A 7 16.262 -2.771 6.261 1.00 0.00 C ATOM 103 CG2 VAL A 7 14.587 -2.542 4.413 1.00 0.00 C ATOM 0 H VAL A 7 16.900 -2.556 2.274 1.00 0.00 H new ATOM 0 HA VAL A 7 16.484 -0.628 4.444 1.00 0.00 H new ATOM 0 HB VAL A 7 16.394 -3.668 4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 7 15.661 -3.577 6.682 1.00 0.00 H new ATOM 0 HG12 VAL A 7 17.315 -2.950 6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.956 -1.822 6.702 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.010 -3.351 4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.236 -1.587 4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 7 14.459 -2.560 3.331 1.00 0.00 H new ATOM 113 N LYS A 8 18.733 -0.776 5.493 1.00 0.00 N ATOM 114 CA LYS A 8 20.082 -0.774 6.045 1.00 0.00 C ATOM 115 C LYS A 8 20.054 -0.526 7.550 1.00 0.00 C ATOM 116 O LYS A 8 20.416 0.553 8.018 1.00 0.00 O ATOM 117 CB LYS A 8 20.935 0.295 5.358 1.00 0.00 C ATOM 118 CG LYS A 8 20.972 0.164 3.846 1.00 0.00 C ATOM 119 CD LYS A 8 22.164 0.896 3.251 1.00 0.00 C ATOM 120 CE LYS A 8 22.078 0.962 1.734 1.00 0.00 C ATOM 121 NZ LYS A 8 20.996 1.880 1.280 1.00 0.00 N ATOM 0 H LYS A 8 18.140 -0.015 5.826 1.00 0.00 H new ATOM 0 HA LYS A 8 20.523 -1.754 5.864 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.548 1.280 5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.953 0.239 5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.018 -0.890 3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 8 20.050 0.563 3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.212 1.906 3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 8 23.085 0.391 3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.033 1.298 1.330 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.898 -0.037 1.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.106 2.071 0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.071 1.437 1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.055 2.774 1.808 1.00 0.00 H new ATOM 135 N TRP A 9 19.623 -1.533 8.302 1.00 0.00 N ATOM 136 CA TRP A 9 19.549 -1.424 9.755 1.00 0.00 C ATOM 137 C TRP A 9 20.825 -1.947 10.405 1.00 0.00 C ATOM 138 O TRP A 9 21.551 -2.746 9.816 1.00 0.00 O ATOM 139 CB TRP A 9 18.339 -2.196 10.284 1.00 0.00 C ATOM 140 CG TRP A 9 18.078 -1.964 11.741 1.00 0.00 C ATOM 141 CD1 TRP A 9 17.917 -2.917 12.706 1.00 0.00 C ATOM 142 CD2 TRP A 9 17.945 -0.699 12.398 1.00 0.00 C ATOM 143 NE1 TRP A 9 17.692 -2.320 13.923 1.00 0.00 N ATOM 144 CE2 TRP A 9 17.706 -0.960 13.761 1.00 0.00 C ATOM 145 CE3 TRP A 9 18.008 0.629 11.967 1.00 0.00 C ATOM 146 CZ2 TRP A 9 17.528 0.058 14.694 1.00 0.00 C ATOM 147 CZ3 TRP A 9 17.831 1.639 12.894 1.00 0.00 C ATOM 148 CH2 TRP A 9 17.594 1.349 14.244 1.00 0.00 C ATOM 0 H TRP A 9 19.320 -2.433 7.930 1.00 0.00 H new ATOM 0 HA TRP A 9 19.439 -0.370 10.011 1.00 0.00 H new ATOM 0 HB2 TRP A 9 17.456 -1.908 9.714 1.00 0.00 H new ATOM 0 HB3 TRP A 9 18.495 -3.262 10.115 1.00 0.00 H new ATOM 0 HD1 TRP A 9 17.960 -3.983 12.537 1.00 0.00 H new ATOM 0 HE1 TRP A 9 17.539 -2.810 14.804 1.00 0.00 H new ATOM 0 HE3 TRP A 9 18.192 0.862 10.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 17.344 -0.163 15.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 17.876 2.669 12.572 1.00 0.00 H new ATOM 0 HH2 TRP A 9 17.461 2.161 14.944 1.00 0.00 H new ATOM 159 N GLY A 10 21.092 -1.492 11.626 1.00 0.00 N ATOM 160 CA GLY A 10 22.281 -1.925 12.336 1.00 0.00 C ATOM 161 C GLY A 10 22.292 -3.420 12.589 1.00 0.00 C ATOM 162 O GLY A 10 23.333 -3.995 12.903 1.00 0.00 O ATOM 0 H GLY A 10 20.506 -0.831 12.136 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.165 -1.650 11.760 1.00 0.00 H new ATOM 0 HA3 GLY A 10 22.344 -1.398 13.288 1.00 0.00 H new ATOM 166 N GLY A 11 21.130 -4.050 12.454 1.00 0.00 N ATOM 167 CA GLY A 11 21.031 -5.481 12.676 1.00 0.00 C ATOM 168 C GLY A 11 20.887 -6.260 11.384 1.00 0.00 C ATOM 169 O GLY A 11 21.527 -7.295 11.201 1.00 0.00 O ATOM 0 H GLY A 11 20.255 -3.595 12.195 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.918 -5.825 13.207 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.175 -5.687 13.318 1.00 0.00 H new ATOM 173 N GLN A 12 20.043 -5.762 10.486 1.00 0.00 N ATOM 174 CA GLN A 12 19.815 -6.420 9.205 1.00 0.00 C ATOM 175 C GLN A 12 19.831 -5.409 8.063 1.00 0.00 C ATOM 176 O GLN A 12 19.349 -4.286 8.210 1.00 0.00 O ATOM 177 CB GLN A 12 18.480 -7.167 9.222 1.00 0.00 C ATOM 178 CG GLN A 12 18.523 -8.472 10.001 1.00 0.00 C ATOM 179 CD GLN A 12 17.197 -8.804 10.656 1.00 0.00 C ATOM 180 OE1 GLN A 12 16.204 -8.102 10.465 1.00 0.00 O ATOM 181 NE2 GLN A 12 17.174 -9.880 11.434 1.00 0.00 N ATOM 0 H GLN A 12 19.506 -4.905 10.622 1.00 0.00 H new ATOM 0 HA GLN A 12 20.622 -7.135 9.044 1.00 0.00 H new ATOM 0 HB2 GLN A 12 17.717 -6.520 9.655 1.00 0.00 H new ATOM 0 HB3 GLN A 12 18.177 -7.376 8.196 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.805 -9.283 9.329 1.00 0.00 H new ATOM 0 HG3 GLN A 12 19.296 -8.409 10.767 1.00 0.00 H new ATOM 0 HE21 GLN A 12 18.021 -10.433 11.564 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.309 -10.153 11.901 1.00 0.00 H new ATOM 190 N GLU A 13 20.388 -5.815 6.927 1.00 0.00 N ATOM 191 CA GLU A 13 20.467 -4.943 5.761 1.00 0.00 C ATOM 192 C GLU A 13 19.997 -5.671 4.504 1.00 0.00 C ATOM 193 O GLU A 13 20.807 -6.190 3.735 1.00 0.00 O ATOM 194 CB GLU A 13 21.899 -4.442 5.568 1.00 0.00 C ATOM 195 CG GLU A 13 22.082 -3.585 4.326 1.00 0.00 C ATOM 196 CD GLU A 13 23.472 -2.987 4.229 1.00 0.00 C ATOM 197 OE1 GLU A 13 24.095 -2.761 5.288 1.00 0.00 O ATOM 198 OE2 GLU A 13 23.937 -2.745 3.096 1.00 0.00 O ATOM 0 H GLU A 13 20.791 -6.742 6.789 1.00 0.00 H new ATOM 0 HA GLU A 13 19.811 -4.089 5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 13 22.194 -3.865 6.444 1.00 0.00 H new ATOM 0 HB3 GLU A 13 22.570 -5.299 5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 13 21.888 -4.190 3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 13 21.345 -2.782 4.331 1.00 0.00 H new ATOM 205 N TYR A 14 18.685 -5.705 4.303 1.00 0.00 N ATOM 206 CA TYR A 14 18.106 -6.371 3.143 1.00 0.00 C ATOM 207 C TYR A 14 17.794 -5.367 2.037 1.00 0.00 C ATOM 208 O TYR A 14 18.193 -4.204 2.109 1.00 0.00 O ATOM 209 CB TYR A 14 16.833 -7.121 3.540 1.00 0.00 C ATOM 210 CG TYR A 14 17.037 -8.103 4.672 1.00 0.00 C ATOM 211 CD1 TYR A 14 18.139 -8.949 4.694 1.00 0.00 C ATOM 212 CD2 TYR A 14 16.128 -8.184 5.719 1.00 0.00 C ATOM 213 CE1 TYR A 14 18.329 -9.848 5.725 1.00 0.00 C ATOM 214 CE2 TYR A 14 16.311 -9.079 6.756 1.00 0.00 C ATOM 215 CZ TYR A 14 17.412 -9.909 6.754 1.00 0.00 C ATOM 216 OH TYR A 14 17.598 -10.803 7.783 1.00 0.00 O ATOM 0 H TYR A 14 18.002 -5.279 4.929 1.00 0.00 H new ATOM 0 HA TYR A 14 18.837 -7.085 2.765 1.00 0.00 H new ATOM 0 HB2 TYR A 14 16.071 -6.398 3.830 1.00 0.00 H new ATOM 0 HB3 TYR A 14 16.450 -7.656 2.671 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.860 -8.903 3.891 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.264 -7.537 5.723 1.00 0.00 H new ATOM 0 HE1 TYR A 14 19.190 -10.499 5.726 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.596 -9.128 7.564 1.00 0.00 H new ATOM 0 HH TYR A 14 16.864 -10.718 8.427 1.00 0.00 H new ATOM 226 N SER A 15 17.078 -5.825 1.015 1.00 0.00 N ATOM 227 CA SER A 15 16.715 -4.969 -0.108 1.00 0.00 C ATOM 228 C SER A 15 15.238 -5.130 -0.458 1.00 0.00 C ATOM 229 O SER A 15 14.832 -6.137 -1.038 1.00 0.00 O ATOM 230 CB SER A 15 17.578 -5.298 -1.327 1.00 0.00 C ATOM 231 OG SER A 15 17.315 -6.607 -1.801 1.00 0.00 O ATOM 0 H SER A 15 16.738 -6.784 0.942 1.00 0.00 H new ATOM 0 HA SER A 15 16.891 -3.934 0.184 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.384 -4.575 -2.119 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.632 -5.208 -1.065 1.00 0.00 H new ATOM 0 HG SER A 15 16.368 -6.819 -1.668 1.00 0.00 H new ATOM 237 N VAL A 16 14.439 -4.130 -0.099 1.00 0.00 N ATOM 238 CA VAL A 16 13.008 -4.158 -0.376 1.00 0.00 C ATOM 239 C VAL A 16 12.697 -3.532 -1.730 1.00 0.00 C ATOM 240 O VAL A 16 11.784 -2.715 -1.855 1.00 0.00 O ATOM 241 CB VAL A 16 12.211 -3.418 0.715 1.00 0.00 C ATOM 242 CG1 VAL A 16 10.725 -3.715 0.585 1.00 0.00 C ATOM 243 CG2 VAL A 16 12.720 -3.798 2.097 1.00 0.00 C ATOM 0 H VAL A 16 14.759 -3.291 0.384 1.00 0.00 H new ATOM 0 HA VAL A 16 12.709 -5.206 -0.387 1.00 0.00 H new ATOM 0 HB VAL A 16 12.356 -2.346 0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.178 -3.184 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.373 -3.388 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.558 -4.787 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 16 12.146 -3.266 2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.607 -4.872 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.773 -3.529 2.184 1.00 0.00 H new ATOM 253 N THR A 17 13.463 -3.920 -2.745 1.00 0.00 N ATOM 254 CA THR A 17 13.270 -3.396 -4.092 1.00 0.00 C ATOM 255 C THR A 17 12.074 -4.053 -4.771 1.00 0.00 C ATOM 256 O THR A 17 11.441 -4.948 -4.210 1.00 0.00 O ATOM 257 CB THR A 17 14.523 -3.611 -4.963 1.00 0.00 C ATOM 258 OG1 THR A 17 14.371 -2.933 -6.215 1.00 0.00 O ATOM 259 CG2 THR A 17 14.763 -5.093 -5.208 1.00 0.00 C ATOM 0 H THR A 17 14.223 -4.595 -2.660 1.00 0.00 H new ATOM 0 HA THR A 17 13.085 -2.326 -3.992 1.00 0.00 H new ATOM 0 HB THR A 17 15.383 -3.203 -4.432 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.172 -3.073 -6.762 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.652 -5.220 -5.825 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.907 -5.601 -4.254 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.902 -5.521 -5.721 1.00 0.00 H new ATOM 267 N THR A 18 11.768 -3.603 -5.984 1.00 0.00 N ATOM 268 CA THR A 18 10.647 -4.147 -6.740 1.00 0.00 C ATOM 269 C THR A 18 11.105 -5.252 -7.685 1.00 0.00 C ATOM 270 O THR A 18 10.286 -5.926 -8.312 1.00 0.00 O ATOM 271 CB THR A 18 9.936 -3.051 -7.557 1.00 0.00 C ATOM 272 OG1 THR A 18 8.777 -3.593 -8.199 1.00 0.00 O ATOM 273 CG2 THR A 18 10.872 -2.462 -8.601 1.00 0.00 C ATOM 0 H THR A 18 12.281 -2.863 -6.464 1.00 0.00 H new ATOM 0 HA THR A 18 9.947 -4.561 -6.014 1.00 0.00 H new ATOM 0 HB THR A 18 9.634 -2.257 -6.874 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.881 -4.562 -8.298 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.348 -1.691 -9.165 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.739 -2.024 -8.107 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.200 -3.249 -9.280 1.00 0.00 H new ATOM 281 N LEU A 19 12.417 -5.434 -7.782 1.00 0.00 N ATOM 282 CA LEU A 19 12.985 -6.460 -8.651 1.00 0.00 C ATOM 283 C LEU A 19 12.617 -6.203 -10.109 1.00 0.00 C ATOM 284 O LEU A 19 12.064 -5.156 -10.445 1.00 0.00 O ATOM 285 CB LEU A 19 12.494 -7.845 -8.226 1.00 0.00 C ATOM 286 CG LEU A 19 12.682 -8.200 -6.750 1.00 0.00 C ATOM 287 CD1 LEU A 19 11.482 -7.745 -5.935 1.00 0.00 C ATOM 288 CD2 LEU A 19 12.904 -9.696 -6.586 1.00 0.00 C ATOM 0 H LEU A 19 13.108 -4.885 -7.270 1.00 0.00 H new ATOM 0 HA LEU A 19 14.070 -6.421 -8.557 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.433 -7.922 -8.465 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.011 -8.592 -8.828 1.00 0.00 H new ATOM 0 HG LEU A 19 13.565 -7.679 -6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.633 -8.006 -4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.368 -6.665 -6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.583 -8.238 -6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.036 -9.931 -5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.040 -10.237 -6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.795 -9.994 -7.138 1.00 0.00 H new ATOM 300 N SER A 20 12.927 -7.167 -10.970 1.00 0.00 N ATOM 301 CA SER A 20 12.631 -7.045 -12.393 1.00 0.00 C ATOM 302 C SER A 20 11.132 -7.177 -12.649 1.00 0.00 C ATOM 303 O SER A 20 10.396 -7.714 -11.823 1.00 0.00 O ATOM 304 CB SER A 20 13.391 -8.109 -13.187 1.00 0.00 C ATOM 305 OG SER A 20 14.792 -7.946 -13.046 1.00 0.00 O ATOM 0 H SER A 20 13.383 -8.041 -10.707 1.00 0.00 H new ATOM 0 HA SER A 20 12.953 -6.057 -12.723 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.101 -9.101 -12.842 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.118 -8.045 -14.240 1.00 0.00 H new ATOM 0 HG SER A 20 15.255 -8.639 -13.561 1.00 0.00 H new ATOM 311 N GLU A 21 10.690 -6.682 -13.801 1.00 0.00 N ATOM 312 CA GLU A 21 9.279 -6.743 -14.166 1.00 0.00 C ATOM 313 C GLU A 21 8.814 -8.190 -14.299 1.00 0.00 C ATOM 314 O GLU A 21 7.653 -8.507 -14.041 1.00 0.00 O ATOM 315 CB GLU A 21 9.036 -5.995 -15.478 1.00 0.00 C ATOM 316 CG GLU A 21 9.864 -6.519 -16.640 1.00 0.00 C ATOM 317 CD GLU A 21 9.829 -5.598 -17.844 1.00 0.00 C ATOM 318 OE1 GLU A 21 8.837 -5.650 -18.601 1.00 0.00 O ATOM 319 OE2 GLU A 21 10.793 -4.826 -18.029 1.00 0.00 O ATOM 0 H GLU A 21 11.287 -6.235 -14.497 1.00 0.00 H new ATOM 0 HA GLU A 21 8.704 -6.266 -13.373 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.979 -6.064 -15.736 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.260 -4.938 -15.331 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.897 -6.648 -16.316 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.495 -7.503 -16.929 1.00 0.00 H new ATOM 326 N ASP A 22 9.729 -9.065 -14.704 1.00 0.00 N ATOM 327 CA ASP A 22 9.414 -10.479 -14.871 1.00 0.00 C ATOM 328 C ASP A 22 8.799 -11.053 -13.599 1.00 0.00 C ATOM 329 O ASP A 22 7.938 -11.931 -13.655 1.00 0.00 O ATOM 330 CB ASP A 22 10.673 -11.263 -15.243 1.00 0.00 C ATOM 331 CG ASP A 22 11.127 -10.991 -16.663 1.00 0.00 C ATOM 332 OD1 ASP A 22 10.423 -10.248 -17.378 1.00 0.00 O ATOM 333 OD2 ASP A 22 12.186 -11.521 -17.060 1.00 0.00 O ATOM 0 H ASP A 22 10.695 -8.820 -14.923 1.00 0.00 H new ATOM 0 HA ASP A 22 8.687 -10.571 -15.678 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.476 -11.004 -14.552 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.482 -12.329 -15.124 1.00 0.00 H new ATOM 338 N ASP A 23 9.247 -10.551 -12.453 1.00 0.00 N ATOM 339 CA ASP A 23 8.740 -11.014 -11.166 1.00 0.00 C ATOM 340 C ASP A 23 7.733 -10.024 -10.591 1.00 0.00 C ATOM 341 O ASP A 23 7.460 -8.981 -11.187 1.00 0.00 O ATOM 342 CB ASP A 23 9.894 -11.216 -10.183 1.00 0.00 C ATOM 343 CG ASP A 23 10.861 -12.292 -10.638 1.00 0.00 C ATOM 344 OD1 ASP A 23 10.398 -13.303 -11.206 1.00 0.00 O ATOM 345 OD2 ASP A 23 12.080 -12.124 -10.424 1.00 0.00 O ATOM 0 H ASP A 23 9.960 -9.824 -12.389 1.00 0.00 H new ATOM 0 HA ASP A 23 8.235 -11.967 -11.323 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.432 -10.276 -10.061 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.492 -11.482 -9.205 1.00 0.00 H new ATOM 350 N THR A 24 7.181 -10.357 -9.428 1.00 0.00 N ATOM 351 CA THR A 24 6.202 -9.498 -8.773 1.00 0.00 C ATOM 352 C THR A 24 6.520 -9.333 -7.291 1.00 0.00 C ATOM 353 O THR A 24 7.486 -9.906 -6.785 1.00 0.00 O ATOM 354 CB THR A 24 4.775 -10.059 -8.920 1.00 0.00 C ATOM 355 OG1 THR A 24 4.818 -11.487 -9.022 1.00 0.00 O ATOM 356 CG2 THR A 24 4.090 -9.478 -10.148 1.00 0.00 C ATOM 0 H THR A 24 7.395 -11.215 -8.921 1.00 0.00 H new ATOM 0 HA THR A 24 6.255 -8.526 -9.264 1.00 0.00 H new ATOM 0 HB THR A 24 4.204 -9.776 -8.036 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.165 -11.787 -9.688 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.084 -9.888 -10.232 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.033 -8.394 -10.054 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.662 -9.735 -11.040 1.00 0.00 H new ATOM 364 N VAL A 25 5.702 -8.547 -6.599 1.00 0.00 N ATOM 365 CA VAL A 25 5.895 -8.308 -5.173 1.00 0.00 C ATOM 366 C VAL A 25 5.588 -9.561 -4.360 1.00 0.00 C ATOM 367 O VAL A 25 6.137 -9.760 -3.275 1.00 0.00 O ATOM 368 CB VAL A 25 5.007 -7.154 -4.673 1.00 0.00 C ATOM 369 CG1 VAL A 25 5.013 -7.096 -3.153 1.00 0.00 C ATOM 370 CG2 VAL A 25 5.469 -5.831 -5.266 1.00 0.00 C ATOM 0 H VAL A 25 4.899 -8.065 -7.002 1.00 0.00 H new ATOM 0 HA VAL A 25 6.942 -8.037 -5.035 1.00 0.00 H new ATOM 0 HB VAL A 25 3.984 -7.337 -5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.380 -6.274 -2.818 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.632 -8.035 -2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.032 -6.937 -2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.830 -5.026 -4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.500 -5.639 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.408 -5.879 -6.353 1.00 0.00 H new ATOM 380 N LEU A 26 4.708 -10.403 -4.890 1.00 0.00 N ATOM 381 CA LEU A 26 4.327 -11.638 -4.213 1.00 0.00 C ATOM 382 C LEU A 26 5.539 -12.541 -4.007 1.00 0.00 C ATOM 383 O LEU A 26 5.656 -13.214 -2.983 1.00 0.00 O ATOM 384 CB LEU A 26 3.258 -12.376 -5.020 1.00 0.00 C ATOM 385 CG LEU A 26 3.614 -12.696 -6.473 1.00 0.00 C ATOM 386 CD1 LEU A 26 4.248 -14.074 -6.576 1.00 0.00 C ATOM 387 CD2 LEU A 26 2.379 -12.607 -7.357 1.00 0.00 C ATOM 0 H LEU A 26 4.245 -10.253 -5.786 1.00 0.00 H new ATOM 0 HA LEU A 26 3.920 -11.378 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.027 -13.311 -4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.348 -11.776 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 26 4.338 -11.959 -6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.494 -14.284 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.157 -14.102 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.548 -14.825 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.651 -12.838 -8.387 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.631 -13.321 -7.011 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.968 -11.599 -7.308 1.00 0.00 H new ATOM 399 N ASP A 27 6.437 -12.549 -4.985 1.00 0.00 N ATOM 400 CA ASP A 27 7.642 -13.367 -4.910 1.00 0.00 C ATOM 401 C ASP A 27 8.476 -12.995 -3.688 1.00 0.00 C ATOM 402 O ASP A 27 8.569 -13.763 -2.729 1.00 0.00 O ATOM 403 CB ASP A 27 8.476 -13.203 -6.181 1.00 0.00 C ATOM 404 CG ASP A 27 9.637 -14.176 -6.242 1.00 0.00 C ATOM 405 OD1 ASP A 27 9.402 -15.391 -6.079 1.00 0.00 O ATOM 406 OD2 ASP A 27 10.782 -13.722 -6.450 1.00 0.00 O ATOM 0 H ASP A 27 6.354 -11.998 -5.839 1.00 0.00 H new ATOM 0 HA ASP A 27 7.338 -14.410 -4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.837 -13.349 -7.052 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.857 -12.183 -6.233 1.00 0.00 H new ATOM 411 N LEU A 28 9.082 -11.814 -3.729 1.00 0.00 N ATOM 412 CA LEU A 28 9.909 -11.339 -2.625 1.00 0.00 C ATOM 413 C LEU A 28 9.172 -11.471 -1.296 1.00 0.00 C ATOM 414 O LEU A 28 9.781 -11.739 -0.260 1.00 0.00 O ATOM 415 CB LEU A 28 10.314 -9.882 -2.855 1.00 0.00 C ATOM 416 CG LEU A 28 9.237 -8.834 -2.571 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.379 -8.293 -1.156 1.00 0.00 C ATOM 418 CD2 LEU A 28 9.312 -7.703 -3.586 1.00 0.00 C ATOM 0 H LEU A 28 9.016 -11.167 -4.515 1.00 0.00 H new ATOM 0 HA LEU A 28 10.806 -11.956 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.180 -9.663 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.634 -9.774 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 28 8.261 -9.311 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.604 -7.549 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.274 -9.110 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.360 -7.832 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.538 -6.967 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.291 -7.228 -3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.160 -8.103 -4.588 1.00 0.00 H new ATOM 430 N LYS A 29 7.858 -11.282 -1.333 1.00 0.00 N ATOM 431 CA LYS A 29 7.035 -11.384 -0.134 1.00 0.00 C ATOM 432 C LYS A 29 7.307 -12.691 0.604 1.00 0.00 C ATOM 433 O LYS A 29 7.734 -12.685 1.758 1.00 0.00 O ATOM 434 CB LYS A 29 5.552 -11.290 -0.498 1.00 0.00 C ATOM 435 CG LYS A 29 4.662 -10.902 0.671 1.00 0.00 C ATOM 436 CD LYS A 29 4.051 -12.124 1.336 1.00 0.00 C ATOM 437 CE LYS A 29 2.737 -12.517 0.679 1.00 0.00 C ATOM 438 NZ LYS A 29 2.219 -13.810 1.206 1.00 0.00 N ATOM 0 H LYS A 29 7.339 -11.057 -2.182 1.00 0.00 H new ATOM 0 HA LYS A 29 7.294 -10.555 0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.428 -10.558 -1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.222 -12.251 -0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.244 -10.342 1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.868 -10.242 0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.751 -12.958 1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.883 -11.919 2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.998 -11.734 0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.879 -12.595 -0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.322 -14.043 0.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.913 -14.563 1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.059 -13.728 2.230 1.00 0.00 H new ATOM 452 N GLN A 30 7.059 -13.809 -0.071 1.00 0.00 N ATOM 453 CA GLN A 30 7.278 -15.123 0.521 1.00 0.00 C ATOM 454 C GLN A 30 8.727 -15.283 0.969 1.00 0.00 C ATOM 455 O GLN A 30 9.014 -15.986 1.938 1.00 0.00 O ATOM 456 CB GLN A 30 6.916 -16.223 -0.479 1.00 0.00 C ATOM 457 CG GLN A 30 5.465 -16.666 -0.396 1.00 0.00 C ATOM 458 CD GLN A 30 5.278 -17.896 0.469 1.00 0.00 C ATOM 459 OE1 GLN A 30 5.908 -17.899 1.638 1.00 0.00 O flip ATOM 460 NE2 GLN A 30 4.576 -18.835 0.092 1.00 0.00 N flip ATOM 0 H GLN A 30 6.706 -13.831 -1.028 1.00 0.00 H new ATOM 0 HA GLN A 30 6.634 -15.212 1.396 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.121 -15.867 -1.488 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.561 -17.085 -0.308 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.863 -15.850 0.004 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.095 -16.873 -1.400 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.110 -18.791 -0.814 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.461 -19.656 0.686 1.00 0.00 H new ATOM 469 N PHE A 31 9.638 -14.627 0.256 1.00 0.00 N ATOM 470 CA PHE A 31 11.058 -14.698 0.580 1.00 0.00 C ATOM 471 C PHE A 31 11.352 -13.983 1.895 1.00 0.00 C ATOM 472 O PHE A 31 12.228 -14.395 2.657 1.00 0.00 O ATOM 473 CB PHE A 31 11.890 -14.082 -0.546 1.00 0.00 C ATOM 474 CG PHE A 31 13.078 -14.914 -0.938 1.00 0.00 C ATOM 475 CD1 PHE A 31 12.922 -16.035 -1.736 1.00 0.00 C ATOM 476 CD2 PHE A 31 14.351 -14.574 -0.507 1.00 0.00 C ATOM 477 CE1 PHE A 31 14.014 -16.803 -2.097 1.00 0.00 C ATOM 478 CE2 PHE A 31 15.446 -15.338 -0.865 1.00 0.00 C ATOM 479 CZ PHE A 31 15.277 -16.453 -1.662 1.00 0.00 C ATOM 0 H PHE A 31 9.418 -14.041 -0.549 1.00 0.00 H new ATOM 0 HA PHE A 31 11.329 -15.748 0.690 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.254 -13.937 -1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 31 12.234 -13.096 -0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 31 11.937 -16.313 -2.080 1.00 0.00 H new ATOM 0 HD2 PHE A 31 14.489 -13.702 0.116 1.00 0.00 H new ATOM 0 HE1 PHE A 31 13.879 -17.676 -2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 31 16.432 -15.063 -0.522 1.00 0.00 H new ATOM 0 HZ PHE A 31 16.131 -17.050 -1.945 1.00 0.00 H new ATOM 489 N LEU A 32 10.616 -12.908 2.155 1.00 0.00 N ATOM 490 CA LEU A 32 10.797 -12.134 3.378 1.00 0.00 C ATOM 491 C LEU A 32 10.298 -12.909 4.593 1.00 0.00 C ATOM 492 O LEU A 32 10.846 -12.788 5.688 1.00 0.00 O ATOM 493 CB LEU A 32 10.059 -10.798 3.273 1.00 0.00 C ATOM 494 CG LEU A 32 10.614 -9.803 2.254 1.00 0.00 C ATOM 495 CD1 LEU A 32 9.876 -8.476 2.345 1.00 0.00 C ATOM 496 CD2 LEU A 32 12.108 -9.599 2.465 1.00 0.00 C ATOM 0 H LEU A 32 9.888 -12.553 1.535 1.00 0.00 H new ATOM 0 HA LEU A 32 11.863 -11.945 3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.017 -11.000 3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.066 -10.324 4.255 1.00 0.00 H new ATOM 0 HG LEU A 32 10.461 -10.213 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.285 -7.781 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.817 -8.634 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.996 -8.061 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.485 -8.888 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.284 -9.212 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.625 -10.551 2.347 1.00 0.00 H new ATOM 508 N LYS A 33 9.256 -13.708 4.391 1.00 0.00 N ATOM 509 CA LYS A 33 8.684 -14.508 5.468 1.00 0.00 C ATOM 510 C LYS A 33 9.605 -15.667 5.833 1.00 0.00 C ATOM 511 O LYS A 33 9.678 -16.075 6.993 1.00 0.00 O ATOM 512 CB LYS A 33 7.310 -15.043 5.059 1.00 0.00 C ATOM 513 CG LYS A 33 6.366 -13.969 4.546 1.00 0.00 C ATOM 514 CD LYS A 33 5.181 -14.573 3.811 1.00 0.00 C ATOM 515 CE LYS A 33 3.990 -14.765 4.737 1.00 0.00 C ATOM 516 NZ LYS A 33 3.412 -13.463 5.174 1.00 0.00 N ATOM 0 H LYS A 33 8.790 -13.819 3.491 1.00 0.00 H new ATOM 0 HA LYS A 33 8.572 -13.867 6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.440 -15.800 4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.852 -15.538 5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.009 -13.368 5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.906 -13.298 3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.898 -13.925 2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.468 -15.533 3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.224 -15.350 4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.299 -15.337 5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.417 -13.598 5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.946 -13.103 5.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.470 -12.778 4.394 1.00 0.00 H new ATOM 530 N THR A 34 10.309 -16.194 4.836 1.00 0.00 N ATOM 531 CA THR A 34 11.226 -17.306 5.053 1.00 0.00 C ATOM 532 C THR A 34 12.615 -16.807 5.435 1.00 0.00 C ATOM 533 O THR A 34 13.367 -17.499 6.123 1.00 0.00 O ATOM 534 CB THR A 34 11.339 -18.194 3.799 1.00 0.00 C ATOM 535 OG1 THR A 34 11.987 -17.473 2.745 1.00 0.00 O ATOM 536 CG2 THR A 34 9.965 -18.654 3.336 1.00 0.00 C ATOM 0 H THR A 34 10.262 -15.869 3.870 1.00 0.00 H new ATOM 0 HA THR A 34 10.817 -17.897 5.872 1.00 0.00 H new ATOM 0 HB THR A 34 11.931 -19.073 4.055 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.884 -16.510 2.896 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.070 -19.279 2.449 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.487 -19.228 4.130 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.352 -17.785 3.096 1.00 0.00 H new ATOM 544 N LEU A 35 12.950 -15.603 4.986 1.00 0.00 N ATOM 545 CA LEU A 35 14.250 -15.010 5.282 1.00 0.00 C ATOM 546 C LEU A 35 14.237 -14.321 6.643 1.00 0.00 C ATOM 547 O LEU A 35 15.147 -14.505 7.452 1.00 0.00 O ATOM 548 CB LEU A 35 14.634 -14.006 4.193 1.00 0.00 C ATOM 549 CG LEU A 35 15.961 -13.273 4.395 1.00 0.00 C ATOM 550 CD1 LEU A 35 17.111 -14.081 3.814 1.00 0.00 C ATOM 551 CD2 LEU A 35 15.906 -11.889 3.763 1.00 0.00 C ATOM 0 H LEU A 35 12.340 -15.018 4.415 1.00 0.00 H new ATOM 0 HA LEU A 35 14.990 -15.810 5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.674 -14.532 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.840 -13.264 4.115 1.00 0.00 H new ATOM 0 HG LEU A 35 16.131 -13.156 5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 35 18.047 -13.544 3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 35 17.163 -15.050 4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 35 16.948 -14.230 2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.858 -11.381 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.713 -11.984 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.107 -11.309 4.226 1.00 0.00 H new ATOM 563 N THR A 36 13.199 -13.529 6.890 1.00 0.00 N ATOM 564 CA THR A 36 13.066 -12.814 8.153 1.00 0.00 C ATOM 565 C THR A 36 11.902 -13.358 8.973 1.00 0.00 C ATOM 566 O THR A 36 12.003 -13.505 10.191 1.00 0.00 O ATOM 567 CB THR A 36 12.859 -11.305 7.926 1.00 0.00 C ATOM 568 OG1 THR A 36 11.460 -11.009 7.851 1.00 0.00 O ATOM 569 CG2 THR A 36 13.547 -10.851 6.648 1.00 0.00 C ATOM 0 H THR A 36 12.437 -13.366 6.231 1.00 0.00 H new ATOM 0 HA THR A 36 13.996 -12.967 8.701 1.00 0.00 H new ATOM 0 HB THR A 36 13.299 -10.769 8.767 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.070 -11.467 7.077 1.00 0.00 H new ATOM 0 HG21 THR A 36 13.387 -9.782 6.509 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.616 -11.052 6.719 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.132 -11.394 5.799 1.00 0.00 H new ATOM 577 N GLY A 37 10.796 -13.656 8.298 1.00 0.00 N ATOM 578 CA GLY A 37 9.628 -14.181 8.981 1.00 0.00 C ATOM 579 C GLY A 37 9.240 -13.350 10.188 1.00 0.00 C ATOM 580 O GLY A 37 8.651 -13.862 11.140 1.00 0.00 O ATOM 0 H GLY A 37 10.688 -13.543 7.290 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.790 -14.218 8.285 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.826 -15.205 9.297 1.00 0.00 H new ATOM 584 N VAL A 38 9.573 -12.064 10.151 1.00 0.00 N ATOM 585 CA VAL A 38 9.257 -11.160 11.251 1.00 0.00 C ATOM 586 C VAL A 38 8.297 -10.063 10.802 1.00 0.00 C ATOM 587 O VAL A 38 7.593 -9.467 11.618 1.00 0.00 O ATOM 588 CB VAL A 38 10.529 -10.510 11.827 1.00 0.00 C ATOM 589 CG1 VAL A 38 11.324 -9.824 10.727 1.00 0.00 C ATOM 590 CG2 VAL A 38 10.170 -9.526 12.930 1.00 0.00 C ATOM 0 H VAL A 38 10.062 -11.624 9.371 1.00 0.00 H new ATOM 0 HA VAL A 38 8.782 -11.760 12.027 1.00 0.00 H new ATOM 0 HB VAL A 38 11.153 -11.293 12.258 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.219 -9.371 11.153 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.612 -10.558 9.975 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.711 -9.051 10.263 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.080 -9.076 13.326 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.525 -8.746 12.526 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.647 -10.051 13.730 1.00 0.00 H new ATOM 600 N LEU A 39 8.275 -9.801 9.500 1.00 0.00 N ATOM 601 CA LEU A 39 7.401 -8.776 8.941 1.00 0.00 C ATOM 602 C LEU A 39 5.947 -9.029 9.327 1.00 0.00 C ATOM 603 O LEU A 39 5.242 -8.140 9.804 1.00 0.00 O ATOM 604 CB LEU A 39 7.536 -8.737 7.418 1.00 0.00 C ATOM 605 CG LEU A 39 8.962 -8.651 6.873 1.00 0.00 C ATOM 606 CD1 LEU A 39 8.948 -8.304 5.392 1.00 0.00 C ATOM 607 CD2 LEU A 39 9.771 -7.626 7.655 1.00 0.00 C ATOM 0 H LEU A 39 8.852 -10.284 8.812 1.00 0.00 H new ATOM 0 HA LEU A 39 7.704 -7.813 9.352 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.065 -9.631 7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.974 -7.881 7.045 1.00 0.00 H new ATOM 0 HG LEU A 39 9.435 -9.626 6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.972 -8.247 5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.406 -9.074 4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.456 -7.342 5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.783 -7.578 7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.299 -6.647 7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.811 -7.918 8.705 1.00 0.00 H new ATOM 619 N PRO A 40 5.487 -10.272 9.120 1.00 0.00 N ATOM 620 CA PRO A 40 4.114 -10.672 9.442 1.00 0.00 C ATOM 621 C PRO A 40 3.864 -10.725 10.945 1.00 0.00 C ATOM 622 O PRO A 40 2.730 -10.904 11.388 1.00 0.00 O ATOM 623 CB PRO A 40 4.000 -12.071 8.831 1.00 0.00 C ATOM 624 CG PRO A 40 5.399 -12.583 8.792 1.00 0.00 C ATOM 625 CD PRO A 40 6.272 -11.382 8.555 1.00 0.00 C ATOM 0 HA PRO A 40 3.381 -9.963 9.057 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.359 -12.715 9.434 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.565 -12.033 7.832 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.660 -13.077 9.728 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.523 -13.319 7.998 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.238 -11.484 9.050 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.472 -11.234 7.494 1.00 0.00 H new ATOM 633 N GLU A 41 4.929 -10.568 11.724 1.00 0.00 N ATOM 634 CA GLU A 41 4.823 -10.599 13.178 1.00 0.00 C ATOM 635 C GLU A 41 4.770 -9.185 13.750 1.00 0.00 C ATOM 636 O GLU A 41 3.912 -8.870 14.575 1.00 0.00 O ATOM 637 CB GLU A 41 6.004 -11.361 13.782 1.00 0.00 C ATOM 638 CG GLU A 41 6.255 -12.711 13.131 1.00 0.00 C ATOM 639 CD GLU A 41 5.142 -13.705 13.402 1.00 0.00 C ATOM 640 OE1 GLU A 41 4.081 -13.601 12.751 1.00 0.00 O ATOM 641 OE2 GLU A 41 5.333 -14.587 14.266 1.00 0.00 O ATOM 0 H GLU A 41 5.875 -10.418 11.373 1.00 0.00 H new ATOM 0 HA GLU A 41 3.897 -11.113 13.438 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.903 -10.751 13.692 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.824 -11.509 14.847 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.363 -12.577 12.055 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.197 -13.118 13.498 1.00 0.00 H new ATOM 648 N ARG A 42 5.693 -8.339 13.306 1.00 0.00 N ATOM 649 CA ARG A 42 5.753 -6.959 13.774 1.00 0.00 C ATOM 650 C ARG A 42 6.782 -6.160 12.980 1.00 0.00 C ATOM 651 O ARG A 42 7.819 -6.689 12.580 1.00 0.00 O ATOM 652 CB ARG A 42 6.100 -6.919 15.264 1.00 0.00 C ATOM 653 CG ARG A 42 7.513 -7.387 15.573 1.00 0.00 C ATOM 654 CD ARG A 42 7.910 -7.052 17.002 1.00 0.00 C ATOM 655 NE ARG A 42 7.352 -8.000 17.962 1.00 0.00 N ATOM 656 CZ ARG A 42 7.637 -7.987 19.259 1.00 0.00 C ATOM 657 NH1 ARG A 42 8.470 -7.079 19.749 1.00 0.00 N ATOM 658 NH2 ARG A 42 7.089 -8.884 20.070 1.00 0.00 N ATOM 0 H ARG A 42 6.410 -8.584 12.623 1.00 0.00 H new ATOM 0 HA ARG A 42 4.773 -6.507 13.623 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.976 -5.900 15.630 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.392 -7.543 15.810 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.583 -8.464 15.417 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.212 -6.919 14.880 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.997 -7.050 17.085 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.569 -6.046 17.246 1.00 0.00 H new ATOM 0 HE ARG A 42 6.708 -8.712 17.617 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.894 -6.388 19.129 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.687 -7.071 20.746 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.448 -9.584 19.697 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.309 -8.873 21.066 1.00 0.00 H new ATOM 672 N GLN A 43 6.486 -4.884 12.754 1.00 0.00 N ATOM 673 CA GLN A 43 7.385 -4.012 12.006 1.00 0.00 C ATOM 674 C GLN A 43 7.295 -2.576 12.511 1.00 0.00 C ATOM 675 O GLN A 43 6.205 -2.061 12.760 1.00 0.00 O ATOM 676 CB GLN A 43 7.053 -4.063 10.514 1.00 0.00 C ATOM 677 CG GLN A 43 6.900 -5.475 9.972 1.00 0.00 C ATOM 678 CD GLN A 43 6.480 -5.499 8.516 1.00 0.00 C ATOM 679 OE1 GLN A 43 5.420 -6.022 8.172 1.00 0.00 O ATOM 680 NE2 GLN A 43 7.312 -4.932 7.650 1.00 0.00 N ATOM 0 H GLN A 43 5.631 -4.431 13.078 1.00 0.00 H new ATOM 0 HA GLN A 43 8.405 -4.367 12.156 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.129 -3.513 10.337 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.839 -3.553 9.958 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.845 -6.007 10.082 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.161 -6.011 10.568 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.180 -4.510 7.979 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.083 -4.919 6.656 1.00 0.00 H new ATOM 689 N LYS A 44 8.449 -1.934 12.661 1.00 0.00 N ATOM 690 CA LYS A 44 8.502 -0.556 13.135 1.00 0.00 C ATOM 691 C LYS A 44 9.184 0.346 12.111 1.00 0.00 C ATOM 692 O LYS A 44 9.508 1.498 12.401 1.00 0.00 O ATOM 693 CB LYS A 44 9.246 -0.483 14.470 1.00 0.00 C ATOM 694 CG LYS A 44 8.333 -0.578 15.681 1.00 0.00 C ATOM 695 CD LYS A 44 9.008 -0.041 16.931 1.00 0.00 C ATOM 696 CE LYS A 44 8.716 1.439 17.129 1.00 0.00 C ATOM 697 NZ LYS A 44 7.451 1.659 17.883 1.00 0.00 N ATOM 0 H LYS A 44 9.360 -2.346 12.461 1.00 0.00 H new ATOM 0 HA LYS A 44 7.479 -0.207 13.276 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.978 -1.290 14.513 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.801 0.454 14.516 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.417 -0.018 15.492 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.045 -1.617 15.840 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.664 -0.601 17.801 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.085 -0.194 16.859 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.544 1.904 17.665 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.650 1.929 16.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.288 2.680 17.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.657 1.238 17.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.523 1.213 18.820 1.00 0.00 H new ATOM 711 N LEU A 45 9.398 -0.184 10.912 1.00 0.00 N ATOM 712 CA LEU A 45 10.040 0.574 9.844 1.00 0.00 C ATOM 713 C LEU A 45 9.296 1.878 9.578 1.00 0.00 C ATOM 714 O LEU A 45 8.287 2.172 10.222 1.00 0.00 O ATOM 715 CB LEU A 45 10.100 -0.262 8.564 1.00 0.00 C ATOM 716 CG LEU A 45 8.857 -1.092 8.245 1.00 0.00 C ATOM 717 CD1 LEU A 45 7.642 -0.192 8.082 1.00 0.00 C ATOM 718 CD2 LEU A 45 9.078 -1.925 6.991 1.00 0.00 C ATOM 0 H LEU A 45 9.136 -1.136 10.655 1.00 0.00 H new ATOM 0 HA LEU A 45 11.054 0.815 10.162 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.290 0.408 7.725 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.954 -0.936 8.634 1.00 0.00 H new ATOM 0 HG LEU A 45 8.673 -1.770 9.079 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.766 -0.800 7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.471 0.360 9.006 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.816 0.511 7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.182 -2.509 6.780 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.288 -1.266 6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.922 -2.598 7.145 1.00 0.00 H new ATOM 730 N LEU A 46 9.797 2.656 8.625 1.00 0.00 N ATOM 731 CA LEU A 46 9.179 3.929 8.272 1.00 0.00 C ATOM 732 C LEU A 46 7.693 3.750 7.979 1.00 0.00 C ATOM 733 O LEU A 46 6.847 3.980 8.842 1.00 0.00 O ATOM 734 CB LEU A 46 9.880 4.540 7.058 1.00 0.00 C ATOM 735 CG LEU A 46 11.135 5.363 7.351 1.00 0.00 C ATOM 736 CD1 LEU A 46 10.765 6.687 8.002 1.00 0.00 C ATOM 737 CD2 LEU A 46 12.092 4.579 8.238 1.00 0.00 C ATOM 0 H LEU A 46 10.630 2.427 8.083 1.00 0.00 H new ATOM 0 HA LEU A 46 9.284 4.604 9.122 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.150 3.734 6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.167 5.176 6.534 1.00 0.00 H new ATOM 0 HG LEU A 46 11.637 5.574 6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.671 7.259 8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.119 7.254 7.332 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.240 6.498 8.938 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.979 5.180 8.436 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.600 4.337 9.180 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.383 3.657 7.734 1.00 0.00 H new ATOM 749 N GLY A 47 7.383 3.335 6.754 1.00 0.00 N ATOM 750 CA GLY A 47 5.999 3.129 6.369 1.00 0.00 C ATOM 751 C GLY A 47 5.850 2.095 5.271 1.00 0.00 C ATOM 752 O GLY A 47 4.801 2.005 4.630 1.00 0.00 O ATOM 0 H GLY A 47 8.065 3.138 6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.426 2.814 7.241 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.574 4.075 6.033 1.00 0.00 H new ATOM 756 N LEU A 48 6.901 1.313 5.050 1.00 0.00 N ATOM 757 CA LEU A 48 6.884 0.281 4.020 1.00 0.00 C ATOM 758 C LEU A 48 6.281 -1.014 4.557 1.00 0.00 C ATOM 759 O LEU A 48 6.638 -1.475 5.642 1.00 0.00 O ATOM 760 CB LEU A 48 8.301 0.022 3.506 1.00 0.00 C ATOM 761 CG LEU A 48 8.434 -1.032 2.405 1.00 0.00 C ATOM 762 CD1 LEU A 48 8.459 -2.429 3.005 1.00 0.00 C ATOM 763 CD2 LEU A 48 7.298 -0.900 1.401 1.00 0.00 C ATOM 0 H LEU A 48 7.776 1.374 5.571 1.00 0.00 H new ATOM 0 HA LEU A 48 6.264 0.635 3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.708 0.962 3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.922 -0.282 4.349 1.00 0.00 H new ATOM 0 HG LEU A 48 9.376 -0.867 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.554 -3.166 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.307 -2.518 3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.534 -2.606 3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.408 -1.657 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.344 -1.039 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.326 0.091 0.948 1.00 0.00 H new ATOM 775 N LYS A 49 5.367 -1.598 3.789 1.00 0.00 N ATOM 776 CA LYS A 49 4.717 -2.842 4.185 1.00 0.00 C ATOM 777 C LYS A 49 3.914 -2.652 5.467 1.00 0.00 C ATOM 778 O LYS A 49 4.304 -3.129 6.533 1.00 0.00 O ATOM 779 CB LYS A 49 5.759 -3.946 4.381 1.00 0.00 C ATOM 780 CG LYS A 49 5.947 -4.829 3.160 1.00 0.00 C ATOM 781 CD LYS A 49 4.860 -5.886 3.063 1.00 0.00 C ATOM 782 CE LYS A 49 5.401 -7.192 2.501 1.00 0.00 C ATOM 783 NZ LYS A 49 5.763 -8.152 3.579 1.00 0.00 N ATOM 0 H LYS A 49 5.060 -1.230 2.889 1.00 0.00 H new ATOM 0 HA LYS A 49 4.032 -3.135 3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.715 -3.490 4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.463 -4.567 5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.939 -4.214 2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.923 -5.313 3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.434 -6.063 4.050 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.053 -5.522 2.428 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.654 -7.644 1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.278 -6.987 1.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.127 -9.029 3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.494 -7.732 4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.920 -8.367 4.149 1.00 0.00 H new ATOM 797 N VAL A 50 2.788 -1.953 5.357 1.00 0.00 N ATOM 798 CA VAL A 50 1.928 -1.702 6.508 1.00 0.00 C ATOM 799 C VAL A 50 1.083 -2.927 6.839 1.00 0.00 C ATOM 800 O VAL A 50 0.650 -3.656 5.946 1.00 0.00 O ATOM 801 CB VAL A 50 0.997 -0.501 6.261 1.00 0.00 C ATOM 802 CG1 VAL A 50 1.808 0.763 6.020 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.067 -0.779 5.090 1.00 0.00 C ATOM 0 H VAL A 50 2.450 -1.551 4.483 1.00 0.00 H new ATOM 0 HA VAL A 50 2.583 -1.477 7.350 1.00 0.00 H new ATOM 0 HB VAL A 50 0.387 -0.348 7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.133 1.601 5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.427 0.970 6.893 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.446 0.625 5.147 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.584 0.081 4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.657 -0.959 4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.540 -1.658 5.308 1.00 0.00 H new ATOM 813 N LYS A 51 0.850 -3.147 8.128 1.00 0.00 N ATOM 814 CA LYS A 51 0.055 -4.283 8.580 1.00 0.00 C ATOM 815 C LYS A 51 -1.436 -3.995 8.434 1.00 0.00 C ATOM 816 O LYS A 51 -1.853 -2.838 8.381 1.00 0.00 O ATOM 817 CB LYS A 51 0.381 -4.613 10.038 1.00 0.00 C ATOM 818 CG LYS A 51 -0.020 -3.520 11.013 1.00 0.00 C ATOM 819 CD LYS A 51 1.148 -2.603 11.335 1.00 0.00 C ATOM 820 CE LYS A 51 1.077 -2.091 12.765 1.00 0.00 C ATOM 821 NZ LYS A 51 2.071 -1.011 13.018 1.00 0.00 N ATOM 0 H LYS A 51 1.201 -2.553 8.879 1.00 0.00 H new ATOM 0 HA LYS A 51 0.305 -5.141 7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.125 -5.538 10.314 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.452 -4.795 10.130 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.837 -2.935 10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.394 -3.971 11.932 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.085 -3.140 11.186 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.150 -1.759 10.645 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.074 -1.716 12.967 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.254 -2.916 13.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.991 -0.689 14.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.030 -1.376 12.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.887 -0.213 12.377 1.00 0.00 H new ATOM 835 N GLY A 52 -2.236 -5.055 8.371 1.00 0.00 N ATOM 836 CA GLY A 52 -3.672 -4.894 8.233 1.00 0.00 C ATOM 837 C GLY A 52 -4.078 -4.483 6.832 1.00 0.00 C ATOM 838 O GLY A 52 -5.257 -4.256 6.560 1.00 0.00 O ATOM 0 H GLY A 52 -1.915 -6.022 8.413 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.166 -5.831 8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.020 -4.144 8.943 1.00 0.00 H new ATOM 842 N LYS A 53 -3.099 -4.386 5.939 1.00 0.00 N ATOM 843 CA LYS A 53 -3.358 -3.999 4.557 1.00 0.00 C ATOM 844 C LYS A 53 -2.061 -3.933 3.758 1.00 0.00 C ATOM 845 O LYS A 53 -1.611 -2.864 3.347 1.00 0.00 O ATOM 846 CB LYS A 53 -4.069 -2.645 4.510 1.00 0.00 C ATOM 847 CG LYS A 53 -3.458 -1.605 5.433 1.00 0.00 C ATOM 848 CD LYS A 53 -4.280 -0.327 5.456 1.00 0.00 C ATOM 849 CE LYS A 53 -3.993 0.542 4.241 1.00 0.00 C ATOM 850 NZ LYS A 53 -4.905 0.227 3.106 1.00 0.00 N ATOM 0 H LYS A 53 -2.118 -4.570 6.148 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.001 -4.756 4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.048 -2.268 3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.117 -2.785 4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.386 -2.010 6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.443 -1.380 5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.341 -0.576 5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.059 0.232 6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.100 1.592 4.512 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.959 0.398 3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.346 0.083 2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.440 -0.639 3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.567 1.017 2.963 1.00 0.00 H new ATOM 864 N PRO A 54 -1.445 -5.103 3.529 1.00 0.00 N ATOM 865 CA PRO A 54 -0.192 -5.204 2.775 1.00 0.00 C ATOM 866 C PRO A 54 -0.382 -4.902 1.293 1.00 0.00 C ATOM 867 O PRO A 54 -1.467 -5.094 0.745 1.00 0.00 O ATOM 868 CB PRO A 54 0.226 -6.663 2.975 1.00 0.00 C ATOM 869 CG PRO A 54 -1.047 -7.387 3.249 1.00 0.00 C ATOM 870 CD PRO A 54 -1.925 -6.417 3.989 1.00 0.00 C ATOM 0 HA PRO A 54 0.550 -4.483 3.119 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.723 -7.058 2.089 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.926 -6.764 3.805 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.519 -7.711 2.321 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.866 -8.282 3.844 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.978 -6.566 3.751 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.824 -6.526 5.069 1.00 0.00 H new ATOM 878 N ALA A 55 0.681 -4.431 0.649 1.00 0.00 N ATOM 879 CA ALA A 55 0.631 -4.105 -0.771 1.00 0.00 C ATOM 880 C ALA A 55 0.053 -5.262 -1.580 1.00 0.00 C ATOM 881 O ALA A 55 0.081 -6.412 -1.142 1.00 0.00 O ATOM 882 CB ALA A 55 2.020 -3.746 -1.279 1.00 0.00 C ATOM 0 H ALA A 55 1.587 -4.267 1.088 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.025 -3.244 -0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.968 -3.505 -2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.397 -2.884 -0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.691 -4.592 -1.132 1.00 0.00 H new ATOM 888 N GLU A 56 -0.472 -4.949 -2.760 1.00 0.00 N ATOM 889 CA GLU A 56 -1.058 -5.964 -3.628 1.00 0.00 C ATOM 890 C GLU A 56 0.028 -6.750 -4.357 1.00 0.00 C ATOM 891 O GLU A 56 1.116 -6.235 -4.612 1.00 0.00 O ATOM 892 CB GLU A 56 -2.001 -5.315 -4.644 1.00 0.00 C ATOM 893 CG GLU A 56 -2.948 -6.299 -5.309 1.00 0.00 C ATOM 894 CD GLU A 56 -4.191 -5.629 -5.862 1.00 0.00 C ATOM 895 OE1 GLU A 56 -5.074 -5.260 -5.060 1.00 0.00 O ATOM 896 OE2 GLU A 56 -4.280 -5.473 -7.098 1.00 0.00 O ATOM 0 H GLU A 56 -0.504 -4.002 -3.137 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.626 -6.654 -3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.585 -4.543 -4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.408 -4.818 -5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.426 -6.811 -6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.241 -7.061 -4.586 1.00 0.00 H new ATOM 903 N ASN A 57 -0.276 -8.001 -4.687 1.00 0.00 N ATOM 904 CA ASN A 57 0.674 -8.860 -5.385 1.00 0.00 C ATOM 905 C ASN A 57 0.914 -8.362 -6.807 1.00 0.00 C ATOM 906 O ASN A 57 2.026 -8.453 -7.328 1.00 0.00 O ATOM 907 CB ASN A 57 0.162 -10.301 -5.416 1.00 0.00 C ATOM 908 CG ASN A 57 -1.220 -10.411 -6.030 1.00 0.00 C ATOM 909 OD1 ASN A 57 -2.229 -10.193 -5.358 1.00 0.00 O ATOM 910 ND2 ASN A 57 -1.272 -10.750 -7.313 1.00 0.00 N ATOM 0 H ASN A 57 -1.172 -8.443 -4.482 1.00 0.00 H new ATOM 0 HA ASN A 57 1.620 -8.829 -4.844 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.858 -10.919 -5.983 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.138 -10.697 -4.401 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.174 -10.839 -7.781 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.410 -10.921 -7.831 1.00 0.00 H new ATOM 917 N ASP A 58 -0.136 -7.837 -7.429 1.00 0.00 N ATOM 918 CA ASP A 58 -0.039 -7.323 -8.790 1.00 0.00 C ATOM 919 C ASP A 58 1.083 -6.296 -8.905 1.00 0.00 C ATOM 920 O ASP A 58 1.649 -6.098 -9.980 1.00 0.00 O ATOM 921 CB ASP A 58 -1.367 -6.696 -9.216 1.00 0.00 C ATOM 922 CG ASP A 58 -1.337 -6.190 -10.645 1.00 0.00 C ATOM 923 OD1 ASP A 58 -1.223 -7.024 -11.568 1.00 0.00 O ATOM 924 OD2 ASP A 58 -1.427 -4.960 -10.841 1.00 0.00 O ATOM 0 H ASP A 58 -1.064 -7.756 -7.013 1.00 0.00 H new ATOM 0 HA ASP A 58 0.189 -8.158 -9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.163 -7.433 -9.111 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.607 -5.870 -8.546 1.00 0.00 H new ATOM 929 N VAL A 59 1.398 -5.644 -7.790 1.00 0.00 N ATOM 930 CA VAL A 59 2.453 -4.637 -7.766 1.00 0.00 C ATOM 931 C VAL A 59 3.739 -5.173 -8.384 1.00 0.00 C ATOM 932 O VAL A 59 4.078 -6.345 -8.221 1.00 0.00 O ATOM 933 CB VAL A 59 2.744 -4.165 -6.329 1.00 0.00 C ATOM 934 CG1 VAL A 59 3.892 -3.167 -6.317 1.00 0.00 C ATOM 935 CG2 VAL A 59 1.496 -3.562 -5.703 1.00 0.00 C ATOM 0 H VAL A 59 0.938 -5.795 -6.892 1.00 0.00 H new ATOM 0 HA VAL A 59 2.097 -3.791 -8.354 1.00 0.00 H new ATOM 0 HB VAL A 59 3.039 -5.029 -5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.083 -2.845 -5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.788 -3.638 -6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.629 -2.302 -6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.720 -3.234 -4.688 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.168 -2.708 -6.296 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.704 -4.311 -5.676 1.00 0.00 H new ATOM 945 N LYS A 60 4.453 -4.307 -9.095 1.00 0.00 N ATOM 946 CA LYS A 60 5.704 -4.691 -9.737 1.00 0.00 C ATOM 947 C LYS A 60 6.494 -3.459 -10.169 1.00 0.00 C ATOM 948 O LYS A 60 6.062 -2.326 -9.956 1.00 0.00 O ATOM 949 CB LYS A 60 5.426 -5.582 -10.950 1.00 0.00 C ATOM 950 CG LYS A 60 4.269 -5.099 -11.807 1.00 0.00 C ATOM 951 CD LYS A 60 4.555 -5.288 -13.288 1.00 0.00 C ATOM 952 CE LYS A 60 4.089 -6.651 -13.776 1.00 0.00 C ATOM 953 NZ LYS A 60 2.617 -6.819 -13.631 1.00 0.00 N ATOM 0 H LYS A 60 4.186 -3.333 -9.241 1.00 0.00 H new ATOM 0 HA LYS A 60 6.299 -5.248 -9.013 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.325 -5.636 -11.564 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.214 -6.594 -10.606 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.364 -5.643 -11.538 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.080 -4.045 -11.604 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.055 -4.506 -13.859 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.624 -5.181 -13.470 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.367 -6.777 -14.822 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.601 -7.432 -13.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.271 -7.483 -14.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.402 -7.193 -12.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.149 -5.899 -13.754 1.00 0.00 H new ATOM 967 N LEU A 61 7.653 -3.689 -10.777 1.00 0.00 N ATOM 968 CA LEU A 61 8.503 -2.598 -11.240 1.00 0.00 C ATOM 969 C LEU A 61 7.753 -1.702 -12.222 1.00 0.00 C ATOM 970 O LEU A 61 7.891 -0.480 -12.193 1.00 0.00 O ATOM 971 CB LEU A 61 9.765 -3.154 -11.902 1.00 0.00 C ATOM 972 CG LEU A 61 10.829 -2.126 -12.289 1.00 0.00 C ATOM 973 CD1 LEU A 61 12.220 -2.730 -12.180 1.00 0.00 C ATOM 974 CD2 LEU A 61 10.580 -1.606 -13.698 1.00 0.00 C ATOM 0 H LEU A 61 8.025 -4.621 -10.961 1.00 0.00 H new ATOM 0 HA LEU A 61 8.787 -2.000 -10.374 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.218 -3.878 -11.224 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.471 -3.698 -12.800 1.00 0.00 H new ATOM 0 HG LEU A 61 10.765 -1.287 -11.596 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.964 -1.984 -12.459 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.397 -3.053 -11.154 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.298 -3.587 -12.848 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.346 -0.876 -13.957 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.616 -2.436 -14.404 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.599 -1.134 -13.743 1.00 0.00 H new ATOM 986 N GLY A 62 6.957 -2.320 -13.090 1.00 0.00 N ATOM 987 CA GLY A 62 6.196 -1.564 -14.066 1.00 0.00 C ATOM 988 C GLY A 62 4.990 -0.877 -13.456 1.00 0.00 C ATOM 989 O GLY A 62 4.276 -0.141 -14.136 1.00 0.00 O ATOM 0 H GLY A 62 6.826 -3.331 -13.134 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.842 -0.816 -14.526 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.866 -2.232 -14.861 1.00 0.00 H new ATOM 993 N ALA A 63 4.762 -1.119 -12.169 1.00 0.00 N ATOM 994 CA ALA A 63 3.634 -0.518 -11.467 1.00 0.00 C ATOM 995 C ALA A 63 4.106 0.539 -10.475 1.00 0.00 C ATOM 996 O ALA A 63 3.327 1.390 -10.042 1.00 0.00 O ATOM 997 CB ALA A 63 2.825 -1.591 -10.753 1.00 0.00 C ATOM 0 H ALA A 63 5.343 -1.727 -11.592 1.00 0.00 H new ATOM 0 HA ALA A 63 2.997 -0.029 -12.204 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.986 -1.128 -10.233 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.449 -2.309 -11.482 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.460 -2.106 -10.032 1.00 0.00 H new ATOM 1003 N LEU A 64 5.384 0.481 -10.119 1.00 0.00 N ATOM 1004 CA LEU A 64 5.960 1.435 -9.177 1.00 0.00 C ATOM 1005 C LEU A 64 6.877 2.421 -9.893 1.00 0.00 C ATOM 1006 O LEU A 64 6.767 3.634 -9.710 1.00 0.00 O ATOM 1007 CB LEU A 64 6.738 0.697 -8.086 1.00 0.00 C ATOM 1008 CG LEU A 64 6.008 -0.464 -7.410 1.00 0.00 C ATOM 1009 CD1 LEU A 64 7.003 -1.498 -6.904 1.00 0.00 C ATOM 1010 CD2 LEU A 64 5.138 0.044 -6.270 1.00 0.00 C ATOM 0 H LEU A 64 6.042 -0.216 -10.468 1.00 0.00 H new ATOM 0 HA LEU A 64 5.144 1.994 -8.718 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.661 0.315 -8.521 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.021 1.418 -7.319 1.00 0.00 H new ATOM 0 HG LEU A 64 5.363 -0.941 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.465 -2.317 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.583 -1.885 -7.742 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.674 -1.034 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.626 -0.796 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.763 0.547 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.401 0.746 -6.660 1.00 0.00 H new ATOM 1022 N LYS A 65 7.782 1.894 -10.710 1.00 0.00 N ATOM 1023 CA LYS A 65 8.717 2.727 -11.457 1.00 0.00 C ATOM 1024 C LYS A 65 9.475 3.666 -10.524 1.00 0.00 C ATOM 1025 O LYS A 65 9.880 4.759 -10.922 1.00 0.00 O ATOM 1026 CB LYS A 65 7.973 3.537 -12.520 1.00 0.00 C ATOM 1027 CG LYS A 65 6.911 2.742 -13.259 1.00 0.00 C ATOM 1028 CD LYS A 65 6.845 3.127 -14.727 1.00 0.00 C ATOM 1029 CE LYS A 65 6.029 4.394 -14.934 1.00 0.00 C ATOM 1030 NZ LYS A 65 6.082 4.864 -16.346 1.00 0.00 N ATOM 0 H LYS A 65 7.888 0.893 -10.872 1.00 0.00 H new ATOM 0 HA LYS A 65 9.437 2.072 -11.947 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.505 4.399 -12.046 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.694 3.922 -13.241 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.126 1.677 -13.171 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.940 2.911 -12.794 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.854 3.276 -15.111 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.403 2.311 -15.299 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.993 4.209 -14.652 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.403 5.178 -14.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.514 5.729 -16.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.068 5.066 -16.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.701 4.126 -16.972 1.00 0.00 H new ATOM 1044 N LEU A 66 9.664 3.233 -9.282 1.00 0.00 N ATOM 1045 CA LEU A 66 10.374 4.036 -8.292 1.00 0.00 C ATOM 1046 C LEU A 66 11.865 3.713 -8.299 1.00 0.00 C ATOM 1047 O LEU A 66 12.329 2.885 -9.083 1.00 0.00 O ATOM 1048 CB LEU A 66 9.794 3.792 -6.898 1.00 0.00 C ATOM 1049 CG LEU A 66 8.833 4.860 -6.375 1.00 0.00 C ATOM 1050 CD1 LEU A 66 7.696 4.219 -5.595 1.00 0.00 C ATOM 1051 CD2 LEU A 66 9.575 5.868 -5.509 1.00 0.00 C ATOM 0 H LEU A 66 9.336 2.331 -8.937 1.00 0.00 H new ATOM 0 HA LEU A 66 10.247 5.087 -8.552 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.273 2.835 -6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.621 3.699 -6.194 1.00 0.00 H new ATOM 0 HG LEU A 66 8.408 5.388 -7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.022 4.994 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.147 3.538 -6.245 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.102 3.665 -4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.875 6.620 -5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.029 5.355 -4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.353 6.351 -6.099 1.00 0.00 H new ATOM 1063 N LYS A 67 12.611 4.371 -7.418 1.00 0.00 N ATOM 1064 CA LYS A 67 14.050 4.153 -7.319 1.00 0.00 C ATOM 1065 C LYS A 67 14.452 3.822 -5.885 1.00 0.00 C ATOM 1066 O LYS A 67 13.773 4.185 -4.925 1.00 0.00 O ATOM 1067 CB LYS A 67 14.809 5.392 -7.799 1.00 0.00 C ATOM 1068 CG LYS A 67 14.751 6.556 -6.826 1.00 0.00 C ATOM 1069 CD LYS A 67 15.565 7.739 -7.322 1.00 0.00 C ATOM 1070 CE LYS A 67 14.897 8.418 -8.507 1.00 0.00 C ATOM 1071 NZ LYS A 67 13.717 9.226 -8.091 1.00 0.00 N ATOM 0 H LYS A 67 12.243 5.060 -6.762 1.00 0.00 H new ATOM 0 HA LYS A 67 14.309 3.307 -7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.852 5.125 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.399 5.710 -8.758 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.714 6.861 -6.684 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.126 6.237 -5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.692 8.459 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.561 7.402 -7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.618 9.061 -9.011 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.584 7.664 -9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.372 9.779 -8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.963 8.593 -7.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.992 9.872 -7.323 1.00 0.00 H new ATOM 1085 N PRO A 68 15.582 3.116 -5.735 1.00 0.00 N ATOM 1086 CA PRO A 68 16.101 2.722 -4.421 1.00 0.00 C ATOM 1087 C PRO A 68 16.622 3.913 -3.623 1.00 0.00 C ATOM 1088 O PRO A 68 16.870 3.806 -2.423 1.00 0.00 O ATOM 1089 CB PRO A 68 17.246 1.766 -4.764 1.00 0.00 C ATOM 1090 CG PRO A 68 17.681 2.171 -6.130 1.00 0.00 C ATOM 1091 CD PRO A 68 16.442 2.649 -6.835 1.00 0.00 C ATOM 0 HA PRO A 68 15.329 2.276 -3.794 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.062 1.852 -4.047 1.00 0.00 H new ATOM 0 HB3 PRO A 68 16.914 0.728 -4.746 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.432 2.960 -6.083 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.133 1.333 -6.660 1.00 0.00 H new ATOM 0 HD2 PRO A 68 16.664 3.451 -7.539 1.00 0.00 H new ATOM 0 HD3 PRO A 68 15.969 1.848 -7.403 1.00 0.00 H new ATOM 1099 N ASN A 69 16.785 5.046 -4.298 1.00 0.00 N ATOM 1100 CA ASN A 69 17.276 6.257 -3.650 1.00 0.00 C ATOM 1101 C ASN A 69 16.434 6.599 -2.426 1.00 0.00 C ATOM 1102 O ASN A 69 16.902 7.266 -1.502 1.00 0.00 O ATOM 1103 CB ASN A 69 17.264 7.428 -4.635 1.00 0.00 C ATOM 1104 CG ASN A 69 18.251 8.514 -4.254 1.00 0.00 C ATOM 1105 OD1 ASN A 69 17.864 9.647 -3.966 1.00 0.00 O ATOM 1106 ND2 ASN A 69 19.535 8.173 -4.251 1.00 0.00 N ATOM 0 H ASN A 69 16.585 5.151 -5.293 1.00 0.00 H new ATOM 0 HA ASN A 69 18.300 6.075 -3.324 1.00 0.00 H new ATOM 0 HB2 ASN A 69 17.499 7.061 -5.634 1.00 0.00 H new ATOM 0 HB3 ASN A 69 16.261 7.852 -4.679 1.00 0.00 H new ATOM 0 HD21 ASN A 69 20.245 8.862 -4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 69 19.811 7.222 -4.496 1.00 0.00 H new ATOM 1113 N THR A 70 15.187 6.139 -2.424 1.00 0.00 N ATOM 1114 CA THR A 70 14.278 6.396 -1.315 1.00 0.00 C ATOM 1115 C THR A 70 14.929 6.053 0.020 1.00 0.00 C ATOM 1116 O THR A 70 14.812 6.801 0.991 1.00 0.00 O ATOM 1117 CB THR A 70 12.973 5.591 -1.459 1.00 0.00 C ATOM 1118 OG1 THR A 70 13.215 4.395 -2.208 1.00 0.00 O ATOM 1119 CG2 THR A 70 11.899 6.419 -2.149 1.00 0.00 C ATOM 0 H THR A 70 14.783 5.586 -3.180 1.00 0.00 H new ATOM 0 HA THR A 70 14.043 7.460 -1.339 1.00 0.00 H new ATOM 0 HB THR A 70 12.622 5.329 -0.461 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.240 4.607 -3.164 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.987 5.829 -2.239 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.696 7.314 -1.561 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.244 6.708 -3.142 1.00 0.00 H new ATOM 1127 N LYS A 71 15.616 4.916 0.063 1.00 0.00 N ATOM 1128 CA LYS A 71 16.288 4.473 1.279 1.00 0.00 C ATOM 1129 C LYS A 71 15.285 4.254 2.406 1.00 0.00 C ATOM 1130 O LYS A 71 14.755 5.211 2.973 1.00 0.00 O ATOM 1131 CB LYS A 71 17.338 5.500 1.709 1.00 0.00 C ATOM 1132 CG LYS A 71 18.724 5.222 1.153 1.00 0.00 C ATOM 1133 CD LYS A 71 19.534 6.500 1.010 1.00 0.00 C ATOM 1134 CE LYS A 71 21.027 6.212 0.978 1.00 0.00 C ATOM 1135 NZ LYS A 71 21.438 5.549 -0.291 1.00 0.00 N ATOM 0 H LYS A 71 15.722 4.284 -0.731 1.00 0.00 H new ATOM 0 HA LYS A 71 16.782 3.525 1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 71 17.018 6.491 1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 71 17.390 5.520 2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 71 19.249 4.529 1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.637 4.735 0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 71 19.242 7.017 0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 71 19.309 7.170 1.840 1.00 0.00 H new ATOM 0 HE2 LYS A 71 21.579 7.144 1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 71 21.292 5.576 1.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.462 5.370 -0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.930 4.647 -0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 21.209 6.167 -1.096 1.00 0.00 H new ATOM 1149 N ILE A 72 15.029 2.991 2.728 1.00 0.00 N ATOM 1150 CA ILE A 72 14.092 2.647 3.790 1.00 0.00 C ATOM 1151 C ILE A 72 14.825 2.164 5.036 1.00 0.00 C ATOM 1152 O ILE A 72 15.861 1.506 4.943 1.00 0.00 O ATOM 1153 CB ILE A 72 13.101 1.559 3.336 1.00 0.00 C ATOM 1154 CG1 ILE A 72 12.063 1.296 4.429 1.00 0.00 C ATOM 1155 CG2 ILE A 72 13.845 0.279 2.986 1.00 0.00 C ATOM 1156 CD1 ILE A 72 12.445 0.174 5.368 1.00 0.00 C ATOM 0 H ILE A 72 15.458 2.188 2.268 1.00 0.00 H new ATOM 0 HA ILE A 72 13.538 3.555 4.028 1.00 0.00 H new ATOM 0 HB ILE A 72 12.581 1.910 2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.917 2.209 5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 72 11.107 1.058 3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.132 -0.481 2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.550 0.477 2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.387 -0.078 3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.663 0.044 6.116 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.563 -0.750 4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.385 0.418 5.864 1.00 0.00 H new ATOM 1168 N MET A 73 14.280 2.493 6.202 1.00 0.00 N ATOM 1169 CA MET A 73 14.881 2.090 7.468 1.00 0.00 C ATOM 1170 C MET A 73 13.968 1.128 8.222 1.00 0.00 C ATOM 1171 O MET A 73 12.799 1.427 8.462 1.00 0.00 O ATOM 1172 CB MET A 73 15.173 3.318 8.333 1.00 0.00 C ATOM 1173 CG MET A 73 16.646 3.686 8.388 1.00 0.00 C ATOM 1174 SD MET A 73 17.103 4.495 9.934 1.00 0.00 S ATOM 1175 CE MET A 73 15.874 5.796 10.010 1.00 0.00 C ATOM 0 H MET A 73 13.423 3.038 6.297 1.00 0.00 H new ATOM 0 HA MET A 73 15.818 1.578 7.249 1.00 0.00 H new ATOM 0 HB2 MET A 73 14.609 4.167 7.946 1.00 0.00 H new ATOM 0 HB3 MET A 73 14.815 3.132 9.346 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.246 2.785 8.263 1.00 0.00 H new ATOM 0 HG3 MET A 73 16.883 4.346 7.553 1.00 0.00 H new ATOM 0 HE1 MET A 73 16.165 6.528 10.763 1.00 0.00 H new ATOM 0 HE2 MET A 73 15.800 6.284 9.038 1.00 0.00 H new ATOM 0 HE3 MET A 73 14.907 5.368 10.275 1.00 0.00 H new ATOM 1185 N MET A 74 14.510 -0.028 8.591 1.00 0.00 N ATOM 1186 CA MET A 74 13.743 -1.033 9.318 1.00 0.00 C ATOM 1187 C MET A 74 14.197 -1.116 10.772 1.00 0.00 C ATOM 1188 O MET A 74 15.393 -1.130 11.059 1.00 0.00 O ATOM 1189 CB MET A 74 13.890 -2.401 8.648 1.00 0.00 C ATOM 1190 CG MET A 74 12.637 -3.257 8.734 1.00 0.00 C ATOM 1191 SD MET A 74 12.812 -4.833 7.877 1.00 0.00 S ATOM 1192 CE MET A 74 11.832 -4.530 6.408 1.00 0.00 C ATOM 0 H MET A 74 15.476 -0.292 8.399 1.00 0.00 H new ATOM 0 HA MET A 74 12.694 -0.737 9.299 1.00 0.00 H new ATOM 0 HB2 MET A 74 14.150 -2.257 7.599 1.00 0.00 H new ATOM 0 HB3 MET A 74 14.719 -2.936 9.112 1.00 0.00 H new ATOM 0 HG2 MET A 74 12.399 -3.442 9.782 1.00 0.00 H new ATOM 0 HG3 MET A 74 11.797 -2.708 8.309 1.00 0.00 H new ATOM 0 HE1 MET A 74 12.152 -5.202 5.612 1.00 0.00 H new ATOM 0 HE2 MET A 74 10.779 -4.706 6.630 1.00 0.00 H new ATOM 0 HE3 MET A 74 11.968 -3.497 6.087 1.00 0.00 H new ATOM 1202 N MET A 75 13.233 -1.170 11.686 1.00 0.00 N ATOM 1203 CA MET A 75 13.534 -1.252 13.110 1.00 0.00 C ATOM 1204 C MET A 75 12.604 -2.240 13.807 1.00 0.00 C ATOM 1205 O MET A 75 11.499 -2.504 13.336 1.00 0.00 O ATOM 1206 CB MET A 75 13.410 0.128 13.760 1.00 0.00 C ATOM 1207 CG MET A 75 12.292 0.976 13.176 1.00 0.00 C ATOM 1208 SD MET A 75 12.163 2.593 13.963 1.00 0.00 S ATOM 1209 CE MET A 75 11.544 2.134 15.580 1.00 0.00 C ATOM 0 H MET A 75 12.237 -1.158 11.465 1.00 0.00 H new ATOM 0 HA MET A 75 14.559 -1.606 13.219 1.00 0.00 H new ATOM 0 HB2 MET A 75 13.240 0.003 14.829 1.00 0.00 H new ATOM 0 HB3 MET A 75 14.355 0.660 13.648 1.00 0.00 H new ATOM 0 HG2 MET A 75 12.462 1.109 12.108 1.00 0.00 H new ATOM 0 HG3 MET A 75 11.345 0.447 13.285 1.00 0.00 H new ATOM 0 HE1 MET A 75 10.597 2.641 15.765 1.00 0.00 H new ATOM 0 HE2 MET A 75 11.391 1.055 15.618 1.00 0.00 H new ATOM 0 HE3 MET A 75 12.266 2.426 16.342 1.00 0.00 H new ATOM 1219 N GLY A 76 13.061 -2.784 14.931 1.00 0.00 N ATOM 1220 CA GLY A 76 12.257 -3.737 15.673 1.00 0.00 C ATOM 1221 C GLY A 76 11.774 -4.885 14.809 1.00 0.00 C ATOM 1222 O GLY A 76 10.697 -5.437 15.040 1.00 0.00 O ATOM 0 H GLY A 76 13.973 -2.582 15.340 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.842 -4.132 16.503 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.397 -3.224 16.104 1.00 0.00 H new ATOM 1226 N THR A 77 12.571 -5.247 13.809 1.00 0.00 N ATOM 1227 CA THR A 77 12.218 -6.335 12.905 1.00 0.00 C ATOM 1228 C THR A 77 13.317 -7.390 12.859 1.00 0.00 C ATOM 1229 O THR A 77 13.953 -7.592 11.824 1.00 0.00 O ATOM 1230 CB THR A 77 11.958 -5.817 11.478 1.00 0.00 C ATOM 1231 OG1 THR A 77 13.167 -5.292 10.919 1.00 0.00 O ATOM 1232 CG2 THR A 77 10.884 -4.739 11.480 1.00 0.00 C ATOM 0 H THR A 77 13.466 -4.802 13.604 1.00 0.00 H new ATOM 0 HA THR A 77 11.304 -6.784 13.292 1.00 0.00 H new ATOM 0 HB THR A 77 11.610 -6.652 10.870 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.181 -5.460 9.954 1.00 0.00 H new ATOM 0 HG21 THR A 77 10.718 -4.389 10.461 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.956 -5.150 11.878 1.00 0.00 H new ATOM 0 HG23 THR A 77 11.207 -3.905 12.102 1.00 0.00 H new ATOM 1240 N ARG A 78 13.536 -8.060 13.985 1.00 0.00 N ATOM 1241 CA ARG A 78 14.559 -9.094 14.072 1.00 0.00 C ATOM 1242 C ARG A 78 13.993 -10.369 14.691 1.00 0.00 C ATOM 1243 O ARG A 78 14.449 -10.816 15.743 1.00 0.00 O ATOM 1244 CB ARG A 78 15.747 -8.598 14.899 1.00 0.00 C ATOM 1245 CG ARG A 78 16.352 -7.304 14.380 1.00 0.00 C ATOM 1246 CD ARG A 78 16.921 -6.462 15.511 1.00 0.00 C ATOM 1247 NE ARG A 78 17.968 -5.557 15.047 1.00 0.00 N ATOM 1248 CZ ARG A 78 18.875 -5.009 15.848 1.00 0.00 C ATOM 1249 NH1 ARG A 78 18.863 -5.274 17.147 1.00 0.00 N ATOM 1250 NH2 ARG A 78 19.797 -4.195 15.350 1.00 0.00 N ATOM 0 H ARG A 78 13.018 -7.905 14.850 1.00 0.00 H new ATOM 0 HA ARG A 78 14.897 -9.320 13.061 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.425 -8.451 15.930 1.00 0.00 H new ATOM 0 HB3 ARG A 78 16.517 -9.369 14.912 1.00 0.00 H new ATOM 0 HG2 ARG A 78 17.140 -7.532 13.662 1.00 0.00 H new ATOM 0 HG3 ARG A 78 15.591 -6.733 13.847 1.00 0.00 H new ATOM 0 HD2 ARG A 78 16.120 -5.884 15.971 1.00 0.00 H new ATOM 0 HD3 ARG A 78 17.324 -7.117 16.283 1.00 0.00 H new ATOM 0 HE ARG A 78 18.005 -5.333 14.053 1.00 0.00 H new ATOM 0 HH11 ARG A 78 18.156 -5.900 17.533 1.00 0.00 H new ATOM 0 HH12 ARG A 78 19.561 -4.852 17.760 1.00 0.00 H new ATOM 0 HH21 ARG A 78 19.810 -3.989 14.351 1.00 0.00 H new ATOM 0 HH22 ARG A 78 20.493 -3.775 15.966 1.00 0.00 H new ATOM 1264 N GLU A 79 12.996 -10.949 14.030 1.00 0.00 N ATOM 1265 CA GLU A 79 12.366 -12.171 14.516 1.00 0.00 C ATOM 1266 C GLU A 79 11.922 -12.014 15.967 1.00 0.00 C ATOM 1267 O GLU A 79 11.896 -12.982 16.727 1.00 0.00 O ATOM 1268 CB GLU A 79 13.331 -13.352 14.392 1.00 0.00 C ATOM 1269 CG GLU A 79 13.782 -13.623 12.966 1.00 0.00 C ATOM 1270 CD GLU A 79 15.102 -14.366 12.902 1.00 0.00 C ATOM 1271 OE1 GLU A 79 15.702 -14.603 13.971 1.00 0.00 O ATOM 1272 OE2 GLU A 79 15.534 -14.711 11.782 1.00 0.00 O ATOM 0 H GLU A 79 12.607 -10.592 13.157 1.00 0.00 H new ATOM 0 HA GLU A 79 11.485 -12.364 13.903 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.207 -13.161 15.011 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.850 -14.246 14.788 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.017 -14.204 12.451 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.876 -12.677 12.433 1.00 0.00 H new ATOM 1279 N GLU A 80 11.573 -10.788 16.344 1.00 0.00 N ATOM 1280 CA GLU A 80 11.132 -10.504 17.704 1.00 0.00 C ATOM 1281 C GLU A 80 9.980 -11.421 18.105 1.00 0.00 C ATOM 1282 O GLU A 80 10.033 -12.087 19.139 1.00 0.00 O ATOM 1283 CB GLU A 80 10.701 -9.041 17.830 1.00 0.00 C ATOM 1284 CG GLU A 80 11.861 -8.079 18.026 1.00 0.00 C ATOM 1285 CD GLU A 80 11.420 -6.737 18.575 1.00 0.00 C ATOM 1286 OE1 GLU A 80 11.371 -6.589 19.814 1.00 0.00 O ATOM 1287 OE2 GLU A 80 11.122 -5.834 17.765 1.00 0.00 O ATOM 0 H GLU A 80 11.587 -9.976 15.727 1.00 0.00 H new ATOM 0 HA GLU A 80 11.971 -10.687 18.376 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.150 -8.755 16.934 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.014 -8.945 18.671 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.587 -8.525 18.706 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.368 -7.928 17.073 1.00 0.00 H new ATOM 1294 N SER A 81 8.939 -11.449 17.279 1.00 0.00 N ATOM 1295 CA SER A 81 7.771 -12.280 17.548 1.00 0.00 C ATOM 1296 C SER A 81 7.238 -12.028 18.956 1.00 0.00 C ATOM 1297 O SER A 81 6.951 -12.966 19.698 1.00 0.00 O ATOM 1298 CB SER A 81 8.122 -13.759 17.380 1.00 0.00 C ATOM 1299 OG SER A 81 8.575 -14.030 16.065 1.00 0.00 O ATOM 0 H SER A 81 8.880 -10.906 16.418 1.00 0.00 H new ATOM 0 HA SER A 81 6.994 -12.015 16.831 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.894 -14.037 18.098 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.247 -14.371 17.600 1.00 0.00 H new ATOM 0 HG SER A 81 8.794 -14.982 15.984 1.00 0.00 H new TER 1305 SER A 81