USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 521 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 39 SER OG : rot 170:sc= 0.699 USER MOD Set 1.2: A 41 SER OG : rot 116:sc= 0.391 USER MOD Set 1.3: A 54 TYR OH : rot 180:sc= 0.395 USER MOD Set 2.1: A 8 THR OG1 : rot -87:sc= 0.0761 USER MOD Set 2.2: A 19 LYS NZ :NH3+ 147:sc= 0.175 (180deg=-0.553) USER MOD Single : A 10 CYS SG : rot -30:sc= -0.719 USER MOD Single : A 18 LYS NZ :NH3+ -134:sc= -2.18 (180deg=-6.14!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 174:sc= -1.45 USER MOD Single : A 43 LYS NZ :NH3+ 133:sc= 0.0132 (180deg=-0.142) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.876 USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= 0.881 (180deg=0.879) USER MOD Single : A 50 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.69) USER MOD Single : A 57 ASN : amide:sc= -0.962! C(o=-0.96!,f=-6.4!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -130:sc= -1.03 USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= -0.0358 (180deg=-0.414) USER MOD Single : A 71 MET CE :methyl -174:sc= 0 (180deg=-0.0925) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -4.349 -0.324 12.562 1.00 0.00 N ATOM 53 CA GLY A 6 -3.381 0.791 12.762 1.00 0.00 C ATOM 54 C GLY A 6 -1.963 0.226 12.855 1.00 0.00 C ATOM 55 O GLY A 6 -1.165 0.659 13.662 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.449 1.498 11.935 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.625 1.340 13.671 1.00 0.00 H new ATOM 59 N ARG A 7 -1.643 -0.738 12.036 1.00 0.00 N ATOM 60 CA ARG A 7 -0.281 -1.339 12.090 1.00 0.00 C ATOM 61 C ARG A 7 0.692 -0.472 11.288 1.00 0.00 C ATOM 62 O ARG A 7 0.390 -0.026 10.199 1.00 0.00 O ATOM 63 CB ARG A 7 -0.322 -2.747 11.489 1.00 0.00 C ATOM 64 CG ARG A 7 -1.349 -2.789 10.356 1.00 0.00 C ATOM 65 CD ARG A 7 -1.068 -3.993 9.456 1.00 0.00 C ATOM 66 NE ARG A 7 0.157 -3.732 8.647 1.00 0.00 N ATOM 67 CZ ARG A 7 0.743 -4.712 8.016 1.00 0.00 C ATOM 68 NH1 ARG A 7 0.258 -5.921 8.094 1.00 0.00 N ATOM 69 NH2 ARG A 7 1.815 -4.483 7.308 1.00 0.00 N ATOM 0 H ARG A 7 -2.266 -1.135 11.332 1.00 0.00 H new ATOM 0 HA ARG A 7 0.051 -1.394 13.127 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.663 -3.021 11.111 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.583 -3.474 12.258 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.356 -2.856 10.767 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.302 -1.868 9.774 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.933 -4.890 10.061 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.918 -4.176 8.799 1.00 0.00 H new ATOM 0 HE ARG A 7 0.537 -2.787 8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.579 -6.100 8.648 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.716 -6.687 7.601 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.194 -3.538 7.248 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.274 -5.249 6.815 1.00 0.00 H new ATOM 83 N THR A 8 1.860 -0.230 11.819 1.00 0.00 N ATOM 84 CA THR A 8 2.849 0.614 11.093 1.00 0.00 C ATOM 85 C THR A 8 4.253 0.040 11.294 1.00 0.00 C ATOM 86 O THR A 8 4.552 -0.553 12.312 1.00 0.00 O ATOM 87 CB THR A 8 2.798 2.043 11.638 1.00 0.00 C ATOM 88 OG1 THR A 8 3.109 2.030 13.025 1.00 0.00 O ATOM 89 CG2 THR A 8 1.398 2.621 11.431 1.00 0.00 C ATOM 0 H THR A 8 2.171 -0.581 12.725 1.00 0.00 H new ATOM 0 HA THR A 8 2.609 0.623 10.030 1.00 0.00 H new ATOM 0 HB THR A 8 3.524 2.661 11.109 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.292 1.873 13.542 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.363 3.639 11.820 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.162 2.631 10.367 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.669 2.006 11.959 1.00 0.00 H new ATOM 97 N ASP A 9 5.117 0.211 10.332 1.00 0.00 N ATOM 98 CA ASP A 9 6.505 -0.315 10.474 1.00 0.00 C ATOM 99 C ASP A 9 7.298 0.589 11.420 1.00 0.00 C ATOM 100 O ASP A 9 7.042 1.773 11.524 1.00 0.00 O ATOM 101 CB ASP A 9 7.184 -0.341 9.103 1.00 0.00 C ATOM 102 CG ASP A 9 6.605 -1.485 8.268 1.00 0.00 C ATOM 103 OD1 ASP A 9 5.961 -2.347 8.846 1.00 0.00 O ATOM 104 OD2 ASP A 9 6.815 -1.480 7.067 1.00 0.00 O ATOM 0 H ASP A 9 4.923 0.692 9.454 1.00 0.00 H new ATOM 0 HA ASP A 9 6.471 -1.326 10.881 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.032 0.610 8.592 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.260 -0.471 9.221 1.00 0.00 H new ATOM 109 N CYS A 10 8.261 0.042 12.109 1.00 0.00 N ATOM 110 CA CYS A 10 9.071 0.871 13.046 1.00 0.00 C ATOM 111 C CYS A 10 10.501 0.992 12.514 1.00 0.00 C ATOM 112 O CYS A 10 11.180 0.007 12.305 1.00 0.00 O ATOM 113 CB CYS A 10 9.095 0.206 14.425 1.00 0.00 C ATOM 114 SG CYS A 10 7.398 -0.015 15.016 1.00 0.00 S ATOM 0 H CYS A 10 8.522 -0.943 12.064 1.00 0.00 H new ATOM 0 HA CYS A 10 8.628 1.864 13.128 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.600 -0.758 14.367 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.659 0.820 15.127 1.00 0.00 H new ATOM 0 HG CYS A 10 6.644 0.928 14.534 1.00 0.00 H new ATOM 120 N PRO A 11 10.949 2.199 12.298 1.00 0.00 N ATOM 121 CA PRO A 11 12.314 2.471 11.765 1.00 0.00 C ATOM 122 C PRO A 11 13.401 2.262 12.822 1.00 0.00 C ATOM 123 O PRO A 11 14.524 1.913 12.512 1.00 0.00 O ATOM 124 CB PRO A 11 12.255 3.940 11.343 1.00 0.00 C ATOM 125 CG PRO A 11 11.196 4.557 12.195 1.00 0.00 C ATOM 126 CD PRO A 11 10.195 3.439 12.541 1.00 0.00 C ATOM 0 HA PRO A 11 12.572 1.794 10.950 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.216 4.431 11.495 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.012 4.035 10.285 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.628 4.983 13.101 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.699 5.370 11.666 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.862 3.507 13.577 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.304 3.493 11.916 1.00 0.00 H new ATOM 134 N ALA A 12 13.078 2.472 14.070 1.00 0.00 N ATOM 135 CA ALA A 12 14.096 2.294 15.143 1.00 0.00 C ATOM 136 C ALA A 12 14.286 0.801 15.423 1.00 0.00 C ATOM 137 O ALA A 12 15.224 0.398 16.082 1.00 0.00 O ATOM 138 CB ALA A 12 13.622 2.996 16.417 1.00 0.00 C ATOM 0 H ALA A 12 12.154 2.759 14.392 1.00 0.00 H new ATOM 0 HA ALA A 12 15.043 2.727 14.821 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.366 2.866 17.202 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.486 4.059 16.218 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.675 2.564 16.740 1.00 0.00 H new ATOM 144 N LEU A 13 13.403 -0.022 14.928 1.00 0.00 N ATOM 145 CA LEU A 13 13.533 -1.487 15.169 1.00 0.00 C ATOM 146 C LEU A 13 13.750 -2.206 13.837 1.00 0.00 C ATOM 147 O LEU A 13 13.222 -1.811 12.816 1.00 0.00 O ATOM 148 CB LEU A 13 12.256 -2.010 15.830 1.00 0.00 C ATOM 149 CG LEU A 13 12.008 -1.252 17.134 1.00 0.00 C ATOM 150 CD1 LEU A 13 10.530 -1.358 17.514 1.00 0.00 C ATOM 151 CD2 LEU A 13 12.864 -1.861 18.248 1.00 0.00 C ATOM 0 H LEU A 13 12.598 0.256 14.367 1.00 0.00 H new ATOM 0 HA LEU A 13 14.384 -1.674 15.824 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.408 -1.884 15.157 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.348 -3.078 16.030 1.00 0.00 H new ATOM 0 HG LEU A 13 12.275 -0.204 17.000 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.354 -0.817 18.444 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.919 -0.926 16.722 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.263 -2.406 17.648 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.688 -1.321 19.178 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.597 -2.909 18.380 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.918 -1.787 17.979 1.00 0.00 H new ATOM 163 N PRO A 14 14.525 -3.256 13.852 1.00 0.00 N ATOM 164 CA PRO A 14 14.830 -4.053 12.629 1.00 0.00 C ATOM 165 C PRO A 14 13.601 -4.232 11.732 1.00 0.00 C ATOM 166 O PRO A 14 12.478 -4.206 12.193 1.00 0.00 O ATOM 167 CB PRO A 14 15.293 -5.406 13.175 1.00 0.00 C ATOM 168 CG PRO A 14 15.794 -5.130 14.555 1.00 0.00 C ATOM 169 CD PRO A 14 15.194 -3.798 15.044 1.00 0.00 C ATOM 0 HA PRO A 14 15.575 -3.560 12.004 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.473 -6.124 13.192 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.078 -5.833 12.551 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.513 -5.940 15.228 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.883 -5.077 14.558 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.490 -3.953 15.862 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.966 -3.122 15.411 1.00 0.00 H new ATOM 177 N PRO A 15 13.823 -4.412 10.459 1.00 0.00 N ATOM 178 CA PRO A 15 12.726 -4.611 9.469 1.00 0.00 C ATOM 179 C PRO A 15 11.740 -5.697 9.907 1.00 0.00 C ATOM 180 O PRO A 15 12.123 -6.808 10.217 1.00 0.00 O ATOM 181 CB PRO A 15 13.459 -5.036 8.196 1.00 0.00 C ATOM 182 CG PRO A 15 14.840 -4.483 8.329 1.00 0.00 C ATOM 183 CD PRO A 15 15.149 -4.445 9.824 1.00 0.00 C ATOM 0 HA PRO A 15 12.124 -3.711 9.345 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.478 -6.121 8.098 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.963 -4.644 7.308 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.560 -5.107 7.800 1.00 0.00 H new ATOM 0 HG3 PRO A 15 14.902 -3.485 7.894 1.00 0.00 H new ATOM 0 HD2 PRO A 15 15.720 -5.320 10.136 1.00 0.00 H new ATOM 0 HD3 PRO A 15 15.740 -3.568 10.088 1.00 0.00 H new ATOM 191 N GLY A 16 10.472 -5.385 9.935 1.00 0.00 N ATOM 192 CA GLY A 16 9.464 -6.401 10.347 1.00 0.00 C ATOM 193 C GLY A 16 8.758 -5.935 11.621 1.00 0.00 C ATOM 194 O GLY A 16 7.600 -6.228 11.844 1.00 0.00 O ATOM 0 H GLY A 16 10.092 -4.471 9.690 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.736 -6.550 9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.950 -7.361 10.519 1.00 0.00 H new ATOM 198 N TRP A 17 9.447 -5.210 12.459 1.00 0.00 N ATOM 199 CA TRP A 17 8.815 -4.723 13.718 1.00 0.00 C ATOM 200 C TRP A 17 7.585 -3.879 13.376 1.00 0.00 C ATOM 201 O TRP A 17 7.628 -3.021 12.517 1.00 0.00 O ATOM 202 CB TRP A 17 9.818 -3.870 14.496 1.00 0.00 C ATOM 203 CG TRP A 17 10.561 -4.734 15.464 1.00 0.00 C ATOM 204 CD1 TRP A 17 11.740 -5.347 15.211 1.00 0.00 C ATOM 205 CD2 TRP A 17 10.198 -5.092 16.829 1.00 0.00 C ATOM 206 NE1 TRP A 17 12.125 -6.058 16.334 1.00 0.00 N ATOM 207 CE2 TRP A 17 11.207 -5.932 17.358 1.00 0.00 C ATOM 208 CE3 TRP A 17 9.102 -4.773 17.651 1.00 0.00 C ATOM 209 CZ2 TRP A 17 11.131 -6.436 18.657 1.00 0.00 C ATOM 210 CZ3 TRP A 17 9.023 -5.280 18.959 1.00 0.00 C ATOM 211 CH2 TRP A 17 10.035 -6.110 19.460 1.00 0.00 C ATOM 0 H TRP A 17 10.420 -4.934 12.327 1.00 0.00 H new ATOM 0 HA TRP A 17 8.514 -5.575 14.327 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.516 -3.392 13.808 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.298 -3.073 15.028 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.291 -5.291 14.284 1.00 0.00 H new ATOM 0 HE1 TRP A 17 12.982 -6.608 16.398 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.317 -4.135 17.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 11.914 -7.074 19.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 8.177 -5.029 19.582 1.00 0.00 H new ATOM 0 HH2 TRP A 17 9.968 -6.497 20.466 1.00 0.00 H new ATOM 222 N LYS A 18 6.487 -4.114 14.043 1.00 0.00 N ATOM 223 CA LYS A 18 5.260 -3.317 13.763 1.00 0.00 C ATOM 224 C LYS A 18 4.671 -2.811 15.081 1.00 0.00 C ATOM 225 O LYS A 18 4.893 -3.380 16.130 1.00 0.00 O ATOM 226 CB LYS A 18 4.233 -4.197 13.048 1.00 0.00 C ATOM 227 CG LYS A 18 4.763 -4.583 11.666 1.00 0.00 C ATOM 228 CD LYS A 18 3.870 -5.669 11.062 1.00 0.00 C ATOM 229 CE LYS A 18 2.478 -5.095 10.795 1.00 0.00 C ATOM 230 NZ LYS A 18 1.661 -5.177 12.038 1.00 0.00 N ATOM 0 H LYS A 18 6.388 -4.823 14.769 1.00 0.00 H new ATOM 0 HA LYS A 18 5.514 -2.468 13.129 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.035 -5.093 13.636 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.287 -3.664 12.950 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.782 -3.709 11.015 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.789 -4.943 11.746 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.306 -6.039 10.134 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.801 -6.518 11.742 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.557 -4.059 10.467 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.993 -5.648 9.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.718 -5.552 11.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.128 -5.808 12.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.565 -4.229 12.454 1.00 0.00 H new ATOM 244 N LYS A 19 3.920 -1.745 15.034 1.00 0.00 N ATOM 245 CA LYS A 19 3.321 -1.201 16.285 1.00 0.00 C ATOM 246 C LYS A 19 1.893 -0.728 16.004 1.00 0.00 C ATOM 247 O LYS A 19 1.574 -0.297 14.914 1.00 0.00 O ATOM 248 CB LYS A 19 4.160 -0.021 16.781 1.00 0.00 C ATOM 249 CG LYS A 19 4.027 1.148 15.802 1.00 0.00 C ATOM 250 CD LYS A 19 4.957 2.284 16.234 1.00 0.00 C ATOM 251 CE LYS A 19 4.839 3.445 15.244 1.00 0.00 C ATOM 252 NZ LYS A 19 3.447 3.977 15.266 1.00 0.00 N ATOM 0 H LYS A 19 3.696 -1.228 14.184 1.00 0.00 H new ATOM 0 HA LYS A 19 3.302 -1.980 17.047 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.828 0.283 17.774 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.205 -0.317 16.871 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.279 0.822 14.793 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.995 1.499 15.776 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.696 2.620 17.238 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.987 1.930 16.274 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.545 4.233 15.505 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.095 3.108 14.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.464 5.002 15.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.884 3.507 14.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.020 3.794 16.197 1.00 0.00 H new ATOM 266 N GLU A 20 1.030 -0.805 16.981 1.00 0.00 N ATOM 267 CA GLU A 20 -0.377 -0.362 16.769 1.00 0.00 C ATOM 268 C GLU A 20 -0.710 0.762 17.752 1.00 0.00 C ATOM 269 O GLU A 20 -0.133 0.861 18.816 1.00 0.00 O ATOM 270 CB GLU A 20 -1.323 -1.541 17.003 1.00 0.00 C ATOM 271 CG GLU A 20 -2.769 -1.084 16.796 1.00 0.00 C ATOM 272 CD GLU A 20 -3.708 -2.283 16.942 1.00 0.00 C ATOM 273 OE1 GLU A 20 -3.220 -3.400 16.921 1.00 0.00 O ATOM 274 OE2 GLU A 20 -4.902 -2.063 17.072 1.00 0.00 O ATOM 0 H GLU A 20 1.239 -1.155 17.916 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.495 0.001 15.748 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.085 -2.354 16.316 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.194 -1.929 18.013 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.027 -0.316 17.525 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.883 -0.637 15.808 1.00 0.00 H new ATOM 281 N GLU A 21 -1.637 1.612 17.404 1.00 0.00 N ATOM 282 CA GLU A 21 -2.006 2.728 18.320 1.00 0.00 C ATOM 283 C GLU A 21 -3.520 2.728 18.541 1.00 0.00 C ATOM 284 O GLU A 21 -4.288 3.014 17.644 1.00 0.00 O ATOM 285 CB GLU A 21 -1.582 4.061 17.699 1.00 0.00 C ATOM 286 CG GLU A 21 -1.855 5.196 18.687 1.00 0.00 C ATOM 287 CD GLU A 21 -1.332 6.512 18.111 1.00 0.00 C ATOM 288 OE1 GLU A 21 -0.553 6.458 17.174 1.00 0.00 O ATOM 289 OE2 GLU A 21 -1.720 7.553 18.616 1.00 0.00 O ATOM 0 H GLU A 21 -2.154 1.582 16.526 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.499 2.595 19.276 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.523 4.034 17.444 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.129 4.232 16.772 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.925 5.272 18.883 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.371 4.986 19.641 1.00 0.00 H new ATOM 296 N VAL A 22 -3.955 2.409 19.730 1.00 0.00 N ATOM 297 CA VAL A 22 -5.420 2.383 20.006 1.00 0.00 C ATOM 298 C VAL A 22 -5.799 3.598 20.854 1.00 0.00 C ATOM 299 O VAL A 22 -5.190 3.874 21.868 1.00 0.00 O ATOM 300 CB VAL A 22 -5.773 1.101 20.763 1.00 0.00 C ATOM 301 CG1 VAL A 22 -7.202 1.203 21.300 1.00 0.00 C ATOM 302 CG2 VAL A 22 -5.672 -0.095 19.813 1.00 0.00 C ATOM 0 H VAL A 22 -3.360 2.165 20.522 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.969 2.411 19.065 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.080 0.967 21.594 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.454 0.290 21.839 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.277 2.056 21.975 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.894 1.336 20.469 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.923 -1.009 20.351 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.366 0.040 18.983 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.655 -0.169 19.428 1.00 0.00 H new ATOM 312 N ILE A 23 -6.803 4.327 20.448 1.00 0.00 N ATOM 313 CA ILE A 23 -7.217 5.525 21.230 1.00 0.00 C ATOM 314 C ILE A 23 -8.453 5.187 22.065 1.00 0.00 C ATOM 315 O ILE A 23 -9.454 4.727 21.552 1.00 0.00 O ATOM 316 CB ILE A 23 -7.547 6.671 20.272 1.00 0.00 C ATOM 317 CG1 ILE A 23 -6.314 6.997 19.426 1.00 0.00 C ATOM 318 CG2 ILE A 23 -7.956 7.907 21.075 1.00 0.00 C ATOM 319 CD1 ILE A 23 -6.706 7.955 18.300 1.00 0.00 C ATOM 0 H ILE A 23 -7.354 4.144 19.609 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.404 5.826 21.890 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.369 6.375 19.620 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.541 7.448 20.049 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.894 6.082 19.009 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.191 8.723 20.392 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.833 7.675 21.679 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.135 8.205 21.728 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.828 8.187 17.698 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.464 7.487 17.672 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.106 8.874 18.727 1.00 0.00 H new ATOM 331 N ARG A 24 -8.393 5.410 23.350 1.00 0.00 N ATOM 332 CA ARG A 24 -9.559 5.087 24.218 1.00 0.00 C ATOM 333 C ARG A 24 -10.833 5.663 23.597 1.00 0.00 C ATOM 334 O ARG A 24 -11.062 6.857 23.622 1.00 0.00 O ATOM 335 CB ARG A 24 -9.346 5.696 25.605 1.00 0.00 C ATOM 336 CG ARG A 24 -8.017 5.205 26.180 1.00 0.00 C ATOM 337 CD ARG A 24 -8.285 4.232 27.331 1.00 0.00 C ATOM 338 NE ARG A 24 -6.990 3.777 27.909 1.00 0.00 N ATOM 339 CZ ARG A 24 -6.969 3.179 29.069 1.00 0.00 C ATOM 340 NH1 ARG A 24 -8.083 2.971 29.716 1.00 0.00 N ATOM 341 NH2 ARG A 24 -5.834 2.788 29.581 1.00 0.00 N ATOM 0 H ARG A 24 -7.586 5.802 23.835 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.657 4.005 24.308 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.346 6.784 25.540 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.166 5.416 26.266 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.432 4.713 25.403 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.428 6.051 26.535 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.887 4.717 28.099 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.856 3.376 26.972 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.120 3.933 27.399 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.970 3.276 29.315 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.067 2.504 30.622 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.963 2.950 29.075 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.817 2.321 30.488 1.00 0.00 H new ATOM 355 N LYS A 25 -11.664 4.825 23.041 1.00 0.00 N ATOM 356 CA LYS A 25 -12.926 5.326 22.425 1.00 0.00 C ATOM 357 C LYS A 25 -14.055 5.265 23.456 1.00 0.00 C ATOM 358 O LYS A 25 -15.070 5.918 23.318 1.00 0.00 O ATOM 359 CB LYS A 25 -13.287 4.454 21.221 1.00 0.00 C ATOM 360 CG LYS A 25 -13.442 3.000 21.671 1.00 0.00 C ATOM 361 CD LYS A 25 -13.723 2.115 20.454 1.00 0.00 C ATOM 362 CE LYS A 25 -13.860 0.659 20.902 1.00 0.00 C ATOM 363 NZ LYS A 25 -14.081 -0.208 19.710 1.00 0.00 N ATOM 0 H LYS A 25 -11.524 3.816 22.986 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.787 6.357 22.098 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.214 4.806 20.768 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.511 4.529 20.459 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.535 2.666 22.175 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.256 2.916 22.391 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.637 2.441 19.957 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.915 2.209 19.729 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.961 0.344 21.432 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.693 0.558 21.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.174 -1.198 20.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.950 0.088 19.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.273 -0.119 19.062 1.00 0.00 H new ATOM 377 N SER A 26 -13.888 4.483 24.488 1.00 0.00 N ATOM 378 CA SER A 26 -14.961 4.363 25.514 1.00 0.00 C ATOM 379 C SER A 26 -14.601 5.216 26.731 1.00 0.00 C ATOM 380 O SER A 26 -13.497 5.163 27.234 1.00 0.00 O ATOM 381 CB SER A 26 -15.100 2.901 25.938 1.00 0.00 C ATOM 382 OG SER A 26 -15.823 2.190 24.943 1.00 0.00 O ATOM 0 H SER A 26 -13.054 3.922 24.664 1.00 0.00 H new ATOM 0 HA SER A 26 -15.905 4.710 25.094 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.115 2.455 26.076 1.00 0.00 H new ATOM 0 HB3 SER A 26 -15.617 2.836 26.896 1.00 0.00 H new ATOM 0 HG SER A 26 -15.912 1.252 25.211 1.00 0.00 H new ATOM 388 N GLY A 27 -15.526 6.005 27.210 1.00 0.00 N ATOM 389 CA GLY A 27 -15.246 6.837 28.413 1.00 0.00 C ATOM 390 C GLY A 27 -15.049 8.295 27.993 1.00 0.00 C ATOM 391 O GLY A 27 -14.502 8.581 26.946 1.00 0.00 O ATOM 0 H GLY A 27 -16.463 6.108 26.819 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -16.071 6.760 29.121 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.354 6.471 28.922 1.00 0.00 H new ATOM 395 N LEU A 28 -15.491 9.220 28.800 1.00 0.00 N ATOM 396 CA LEU A 28 -15.336 10.658 28.441 1.00 0.00 C ATOM 397 C LEU A 28 -13.847 11.008 28.373 1.00 0.00 C ATOM 398 O LEU A 28 -13.453 11.961 27.730 1.00 0.00 O ATOM 399 CB LEU A 28 -16.015 11.525 29.504 1.00 0.00 C ATOM 400 CG LEU A 28 -15.857 13.001 29.135 1.00 0.00 C ATOM 401 CD1 LEU A 28 -16.508 13.260 27.775 1.00 0.00 C ATOM 402 CD2 LEU A 28 -16.537 13.866 30.199 1.00 0.00 C ATOM 0 H LEU A 28 -15.953 9.042 29.692 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.798 10.843 27.471 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -17.072 11.268 29.577 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.572 11.334 30.482 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.798 13.252 29.083 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -16.395 14.312 27.512 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.025 12.643 27.017 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -17.568 13.010 27.825 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -16.426 14.918 29.938 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -17.596 13.615 30.249 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -16.074 13.682 31.168 1.00 0.00 H new ATOM 414 N SER A 29 -13.018 10.244 29.030 1.00 0.00 N ATOM 415 CA SER A 29 -11.557 10.539 29.008 1.00 0.00 C ATOM 416 C SER A 29 -11.028 10.384 27.581 1.00 0.00 C ATOM 417 O SER A 29 -9.857 10.141 27.366 1.00 0.00 O ATOM 418 CB SER A 29 -10.827 9.564 29.932 1.00 0.00 C ATOM 419 OG SER A 29 -11.351 9.683 31.248 1.00 0.00 O ATOM 0 H SER A 29 -13.289 9.429 29.581 1.00 0.00 H new ATOM 0 HA SER A 29 -11.386 11.560 29.350 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.948 8.543 29.571 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.758 9.777 29.933 1.00 0.00 H new ATOM 0 HG SER A 29 -10.886 9.058 31.843 1.00 0.00 H new ATOM 425 N ALA A 30 -11.881 10.521 26.603 1.00 0.00 N ATOM 426 CA ALA A 30 -11.427 10.377 25.192 1.00 0.00 C ATOM 427 C ALA A 30 -10.154 11.199 24.979 1.00 0.00 C ATOM 428 O ALA A 30 -10.074 12.349 25.364 1.00 0.00 O ATOM 429 CB ALA A 30 -12.522 10.881 24.249 1.00 0.00 C ATOM 0 H ALA A 30 -12.873 10.727 26.721 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.222 9.327 24.983 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.190 10.776 23.216 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.429 10.296 24.400 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.728 11.931 24.459 1.00 0.00 H new ATOM 435 N GLY A 31 -9.156 10.619 24.370 1.00 0.00 N ATOM 436 CA GLY A 31 -7.881 11.359 24.155 1.00 0.00 C ATOM 437 C GLY A 31 -6.709 10.518 24.661 1.00 0.00 C ATOM 438 O GLY A 31 -5.589 10.664 24.212 1.00 0.00 O ATOM 0 H GLY A 31 -9.169 9.664 24.012 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.752 11.581 23.096 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.910 12.314 24.680 1.00 0.00 H new ATOM 442 N LYS A 32 -6.955 9.641 25.595 1.00 0.00 N ATOM 443 CA LYS A 32 -5.863 8.761 26.098 1.00 0.00 C ATOM 444 C LYS A 32 -5.643 7.610 25.114 1.00 0.00 C ATOM 445 O LYS A 32 -6.580 7.003 24.634 1.00 0.00 O ATOM 446 CB LYS A 32 -6.252 8.196 27.465 1.00 0.00 C ATOM 447 CG LYS A 32 -5.821 9.172 28.562 1.00 0.00 C ATOM 448 CD LYS A 32 -6.659 10.449 28.468 1.00 0.00 C ATOM 449 CE LYS A 32 -6.287 11.389 29.617 1.00 0.00 C ATOM 450 NZ LYS A 32 -7.047 12.663 29.482 1.00 0.00 N ATOM 0 H LYS A 32 -7.865 9.496 26.032 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.944 9.339 26.193 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.329 8.034 27.510 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.777 7.227 27.618 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.948 8.713 29.542 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.763 9.410 28.456 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.486 10.941 27.511 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.720 10.204 28.513 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.513 10.918 30.574 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.216 11.589 29.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.795 13.302 30.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.811 13.114 28.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.067 12.464 29.514 1.00 0.00 H new ATOM 464 N SER A 33 -4.411 7.305 24.810 1.00 0.00 N ATOM 465 CA SER A 33 -4.133 6.232 23.814 1.00 0.00 C ATOM 466 C SER A 33 -2.965 5.372 24.301 1.00 0.00 C ATOM 467 O SER A 33 -2.164 5.797 25.109 1.00 0.00 O ATOM 468 CB SER A 33 -3.772 6.867 22.470 1.00 0.00 C ATOM 469 OG SER A 33 -2.490 7.473 22.566 1.00 0.00 O ATOM 0 H SER A 33 -3.585 7.752 25.208 1.00 0.00 H new ATOM 0 HA SER A 33 -5.019 5.608 23.696 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.771 6.110 21.686 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.519 7.611 22.194 1.00 0.00 H new ATOM 0 HG SER A 33 -2.255 7.879 21.706 1.00 0.00 H new ATOM 475 N ASP A 34 -2.862 4.165 23.815 1.00 0.00 N ATOM 476 CA ASP A 34 -1.733 3.287 24.233 1.00 0.00 C ATOM 477 C ASP A 34 -1.032 2.734 22.991 1.00 0.00 C ATOM 478 O ASP A 34 -1.648 2.507 21.968 1.00 0.00 O ATOM 479 CB ASP A 34 -2.273 2.128 25.073 1.00 0.00 C ATOM 480 CG ASP A 34 -2.727 2.654 26.436 1.00 0.00 C ATOM 481 OD1 ASP A 34 -2.338 3.756 26.784 1.00 0.00 O ATOM 482 OD2 ASP A 34 -3.457 1.944 27.109 1.00 0.00 O ATOM 0 H ASP A 34 -3.511 3.749 23.147 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.022 3.864 24.825 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.107 1.650 24.559 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.502 1.369 25.203 1.00 0.00 H new ATOM 487 N VAL A 35 0.252 2.515 23.070 1.00 0.00 N ATOM 488 CA VAL A 35 0.995 2.002 21.886 1.00 0.00 C ATOM 489 C VAL A 35 1.423 0.555 22.138 1.00 0.00 C ATOM 490 O VAL A 35 2.004 0.238 23.157 1.00 0.00 O ATOM 491 CB VAL A 35 2.234 2.865 21.646 1.00 0.00 C ATOM 492 CG1 VAL A 35 3.025 2.309 20.461 1.00 0.00 C ATOM 493 CG2 VAL A 35 1.802 4.301 21.341 1.00 0.00 C ATOM 0 H VAL A 35 0.818 2.669 23.904 1.00 0.00 H new ATOM 0 HA VAL A 35 0.349 2.042 21.009 1.00 0.00 H new ATOM 0 HB VAL A 35 2.862 2.854 22.537 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.908 2.925 20.291 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.333 1.286 20.677 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.399 2.319 19.569 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.684 4.918 21.170 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.174 4.311 20.450 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.240 4.699 22.186 1.00 0.00 H new ATOM 503 N TYR A 36 1.140 -0.327 21.218 1.00 0.00 N ATOM 504 CA TYR A 36 1.556 -1.746 21.393 1.00 0.00 C ATOM 505 C TYR A 36 2.646 -2.088 20.375 1.00 0.00 C ATOM 506 O TYR A 36 2.679 -1.553 19.285 1.00 0.00 O ATOM 507 CB TYR A 36 0.349 -2.663 21.175 1.00 0.00 C ATOM 508 CG TYR A 36 -0.681 -2.402 22.247 1.00 0.00 C ATOM 509 CD1 TYR A 36 -0.557 -3.013 23.500 1.00 0.00 C ATOM 510 CD2 TYR A 36 -1.762 -1.551 21.987 1.00 0.00 C ATOM 511 CE1 TYR A 36 -1.512 -2.772 24.495 1.00 0.00 C ATOM 512 CE2 TYR A 36 -2.717 -1.310 22.982 1.00 0.00 C ATOM 513 CZ TYR A 36 -2.592 -1.920 24.235 1.00 0.00 C ATOM 514 OH TYR A 36 -3.534 -1.683 25.216 1.00 0.00 O ATOM 0 H TYR A 36 0.639 -0.125 20.353 1.00 0.00 H new ATOM 0 HA TYR A 36 1.943 -1.888 22.402 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.083 -2.486 20.190 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.662 -3.707 21.203 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.276 -3.671 23.700 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.859 -1.081 21.020 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.416 -3.243 25.462 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.551 -0.653 22.782 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.216 -1.069 24.873 1.00 0.00 H new ATOM 524 N TYR A 37 3.539 -2.974 20.721 1.00 0.00 N ATOM 525 CA TYR A 37 4.634 -3.336 19.778 1.00 0.00 C ATOM 526 C TYR A 37 4.624 -4.846 19.540 1.00 0.00 C ATOM 527 O TYR A 37 4.450 -5.629 20.453 1.00 0.00 O ATOM 528 CB TYR A 37 5.980 -2.923 20.379 1.00 0.00 C ATOM 529 CG TYR A 37 5.960 -1.445 20.690 1.00 0.00 C ATOM 530 CD1 TYR A 37 5.478 -0.997 21.926 1.00 0.00 C ATOM 531 CD2 TYR A 37 6.424 -0.524 19.744 1.00 0.00 C ATOM 532 CE1 TYR A 37 5.459 0.373 22.215 1.00 0.00 C ATOM 533 CE2 TYR A 37 6.406 0.846 20.033 1.00 0.00 C ATOM 534 CZ TYR A 37 5.923 1.294 21.269 1.00 0.00 C ATOM 535 OH TYR A 37 5.905 2.644 21.554 1.00 0.00 O ATOM 0 H TYR A 37 3.558 -3.463 21.616 1.00 0.00 H new ATOM 0 HA TYR A 37 4.484 -2.819 18.830 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.176 -3.494 21.287 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.786 -3.148 19.681 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.121 -1.708 22.656 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.796 -0.870 18.791 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.086 0.719 23.168 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.764 1.557 19.303 1.00 0.00 H new ATOM 0 HH TYR A 37 6.349 3.137 20.833 1.00 0.00 H new ATOM 545 N PHE A 38 4.809 -5.265 18.317 1.00 0.00 N ATOM 546 CA PHE A 38 4.822 -6.725 18.022 1.00 0.00 C ATOM 547 C PHE A 38 6.108 -7.083 17.275 1.00 0.00 C ATOM 548 O PHE A 38 6.556 -6.359 16.408 1.00 0.00 O ATOM 549 CB PHE A 38 3.613 -7.081 17.157 1.00 0.00 C ATOM 550 CG PHE A 38 2.343 -6.729 17.894 1.00 0.00 C ATOM 551 CD1 PHE A 38 1.770 -7.651 18.779 1.00 0.00 C ATOM 552 CD2 PHE A 38 1.741 -5.482 17.694 1.00 0.00 C ATOM 553 CE1 PHE A 38 0.593 -7.325 19.463 1.00 0.00 C ATOM 554 CE2 PHE A 38 0.564 -5.156 18.379 1.00 0.00 C ATOM 555 CZ PHE A 38 -0.011 -6.077 19.262 1.00 0.00 C ATOM 0 H PHE A 38 4.952 -4.658 17.510 1.00 0.00 H new ATOM 0 HA PHE A 38 4.777 -7.285 18.956 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.658 -6.541 16.211 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.624 -8.144 16.918 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.236 -8.613 18.934 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.184 -4.771 17.012 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.151 -8.035 20.146 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.100 -4.193 18.226 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.920 -5.826 19.788 1.00 0.00 H new ATOM 565 N SER A 39 6.706 -8.196 17.603 1.00 0.00 N ATOM 566 CA SER A 39 7.957 -8.603 16.904 1.00 0.00 C ATOM 567 C SER A 39 7.682 -9.840 16.047 1.00 0.00 C ATOM 568 O SER A 39 6.626 -10.435 16.121 1.00 0.00 O ATOM 569 CB SER A 39 9.036 -8.929 17.938 1.00 0.00 C ATOM 570 OG SER A 39 9.281 -10.329 17.934 1.00 0.00 O ATOM 0 H SER A 39 6.382 -8.840 18.324 1.00 0.00 H new ATOM 0 HA SER A 39 8.299 -7.788 16.267 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.953 -8.387 17.707 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.716 -8.607 18.929 1.00 0.00 H new ATOM 0 HG SER A 39 10.081 -10.523 18.466 1.00 0.00 H new ATOM 576 N PRO A 40 8.633 -10.221 15.237 1.00 0.00 N ATOM 577 CA PRO A 40 8.512 -11.415 14.354 1.00 0.00 C ATOM 578 C PRO A 40 8.060 -12.660 15.123 1.00 0.00 C ATOM 579 O PRO A 40 7.514 -13.586 14.557 1.00 0.00 O ATOM 580 CB PRO A 40 9.928 -11.607 13.810 1.00 0.00 C ATOM 581 CG PRO A 40 10.571 -10.262 13.892 1.00 0.00 C ATOM 582 CD PRO A 40 9.931 -9.548 15.078 1.00 0.00 C ATOM 0 HA PRO A 40 7.762 -11.271 13.576 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.478 -12.342 14.398 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.908 -11.971 12.783 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.648 -10.355 14.030 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.415 -9.701 12.971 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.541 -9.640 15.976 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.808 -8.483 14.884 1.00 0.00 H new ATOM 590 N SER A 41 8.283 -12.689 16.408 1.00 0.00 N ATOM 591 CA SER A 41 7.861 -13.872 17.211 1.00 0.00 C ATOM 592 C SER A 41 6.355 -13.801 17.470 1.00 0.00 C ATOM 593 O SER A 41 5.767 -14.711 18.020 1.00 0.00 O ATOM 594 CB SER A 41 8.608 -13.876 18.545 1.00 0.00 C ATOM 595 OG SER A 41 10.005 -13.971 18.300 1.00 0.00 O ATOM 0 H SER A 41 8.739 -11.945 16.937 1.00 0.00 H new ATOM 0 HA SER A 41 8.093 -14.785 16.662 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.386 -12.966 19.102 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.277 -14.714 19.158 1.00 0.00 H new ATOM 0 HG SER A 41 10.448 -13.153 18.608 1.00 0.00 H new ATOM 601 N GLY A 42 5.726 -12.727 17.077 1.00 0.00 N ATOM 602 CA GLY A 42 4.256 -12.604 17.289 1.00 0.00 C ATOM 603 C GLY A 42 3.972 -12.339 18.767 1.00 0.00 C ATOM 604 O GLY A 42 2.834 -12.265 19.188 1.00 0.00 O ATOM 0 H GLY A 42 6.167 -11.930 16.618 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.857 -11.792 16.680 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.755 -13.518 16.970 1.00 0.00 H new ATOM 608 N LYS A 43 4.998 -12.195 19.562 1.00 0.00 N ATOM 609 CA LYS A 43 4.787 -11.936 21.013 1.00 0.00 C ATOM 610 C LYS A 43 4.310 -10.495 21.211 1.00 0.00 C ATOM 611 O LYS A 43 4.778 -9.582 20.560 1.00 0.00 O ATOM 612 CB LYS A 43 6.103 -12.146 21.766 1.00 0.00 C ATOM 613 CG LYS A 43 5.884 -11.890 23.259 1.00 0.00 C ATOM 614 CD LYS A 43 4.859 -12.888 23.802 1.00 0.00 C ATOM 615 CE LYS A 43 5.037 -13.028 25.316 1.00 0.00 C ATOM 616 NZ LYS A 43 4.798 -11.710 25.969 1.00 0.00 N ATOM 0 H LYS A 43 5.973 -12.246 19.268 1.00 0.00 H new ATOM 0 HA LYS A 43 4.034 -12.624 21.398 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.465 -13.162 21.610 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.867 -11.472 21.379 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.826 -11.990 23.798 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.533 -10.870 23.417 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.849 -12.549 23.574 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.987 -13.857 23.319 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.342 -13.771 25.707 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.043 -13.381 25.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.167 -11.837 26.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.704 -11.312 26.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.356 -11.060 25.288 1.00 0.00 H new ATOM 630 N LYS A 44 3.384 -10.284 22.105 1.00 0.00 N ATOM 631 CA LYS A 44 2.870 -8.905 22.335 1.00 0.00 C ATOM 632 C LYS A 44 3.614 -8.274 23.514 1.00 0.00 C ATOM 633 O LYS A 44 3.852 -8.911 24.521 1.00 0.00 O ATOM 634 CB LYS A 44 1.373 -8.963 22.647 1.00 0.00 C ATOM 635 CG LYS A 44 0.835 -7.544 22.837 1.00 0.00 C ATOM 636 CD LYS A 44 -0.677 -7.596 23.064 1.00 0.00 C ATOM 637 CE LYS A 44 -1.220 -6.174 23.214 1.00 0.00 C ATOM 638 NZ LYS A 44 -2.694 -6.226 23.428 1.00 0.00 N ATOM 0 H LYS A 44 2.961 -11.007 22.686 1.00 0.00 H new ATOM 0 HA LYS A 44 3.030 -8.303 21.440 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.841 -9.459 21.836 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.201 -9.552 23.548 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.325 -7.069 23.687 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.061 -6.938 21.960 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.164 -8.096 22.227 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.901 -8.178 23.958 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.737 -5.675 24.054 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.991 -5.590 22.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.064 -5.260 23.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.147 -6.686 22.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.901 -6.769 24.291 1.00 0.00 H new ATOM 652 N PHE A 45 3.981 -7.027 23.399 1.00 0.00 N ATOM 653 CA PHE A 45 4.705 -6.358 24.516 1.00 0.00 C ATOM 654 C PHE A 45 4.027 -5.025 24.838 1.00 0.00 C ATOM 655 O PHE A 45 3.245 -4.511 24.061 1.00 0.00 O ATOM 656 CB PHE A 45 6.157 -6.105 24.103 1.00 0.00 C ATOM 657 CG PHE A 45 6.813 -7.416 23.743 1.00 0.00 C ATOM 658 CD1 PHE A 45 6.947 -8.421 24.708 1.00 0.00 C ATOM 659 CD2 PHE A 45 7.289 -7.626 22.443 1.00 0.00 C ATOM 660 CE1 PHE A 45 7.556 -9.636 24.373 1.00 0.00 C ATOM 661 CE2 PHE A 45 7.898 -8.842 22.108 1.00 0.00 C ATOM 662 CZ PHE A 45 8.031 -9.847 23.073 1.00 0.00 C ATOM 0 H PHE A 45 3.811 -6.443 22.580 1.00 0.00 H new ATOM 0 HA PHE A 45 4.684 -6.998 25.398 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.191 -5.423 23.253 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.700 -5.626 24.918 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.581 -8.259 25.711 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.187 -6.850 21.699 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.660 -10.411 25.118 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.265 -9.004 21.105 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.500 -10.785 22.815 1.00 0.00 H new ATOM 672 N ARG A 46 4.321 -4.458 25.976 1.00 0.00 N ATOM 673 CA ARG A 46 3.689 -3.161 26.349 1.00 0.00 C ATOM 674 C ARG A 46 4.700 -2.304 27.112 1.00 0.00 C ATOM 675 O ARG A 46 5.181 -2.680 28.163 1.00 0.00 O ATOM 676 CB ARG A 46 2.470 -3.424 27.235 1.00 0.00 C ATOM 677 CG ARG A 46 1.676 -4.605 26.676 1.00 0.00 C ATOM 678 CD ARG A 46 0.331 -4.705 27.398 1.00 0.00 C ATOM 679 NE ARG A 46 0.561 -5.061 28.826 1.00 0.00 N ATOM 680 CZ ARG A 46 -0.423 -4.993 29.682 1.00 0.00 C ATOM 681 NH1 ARG A 46 -1.607 -4.612 29.285 1.00 0.00 N ATOM 682 NH2 ARG A 46 -0.222 -5.303 30.934 1.00 0.00 N ATOM 0 H ARG A 46 4.972 -4.837 26.664 1.00 0.00 H new ATOM 0 HA ARG A 46 3.375 -2.636 25.447 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.788 -3.637 28.255 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.840 -2.536 27.277 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.517 -4.476 25.605 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.239 -5.529 26.805 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.202 -3.757 27.330 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.295 -5.458 26.920 1.00 0.00 H new ATOM 0 HE ARG A 46 1.487 -5.358 29.135 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.763 -4.368 28.307 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.376 -4.559 29.953 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.704 -5.598 31.244 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.991 -5.250 31.602 1.00 0.00 H new ATOM 696 N SER A 47 5.026 -1.151 26.592 1.00 0.00 N ATOM 697 CA SER A 47 5.955 -0.242 27.321 1.00 0.00 C ATOM 698 C SER A 47 7.378 -0.434 26.791 1.00 0.00 C ATOM 699 O SER A 47 7.717 -1.472 26.259 1.00 0.00 O ATOM 700 CB SER A 47 5.920 -0.567 28.815 1.00 0.00 C ATOM 701 OG SER A 47 6.398 0.553 29.550 1.00 0.00 O ATOM 0 H SER A 47 4.689 -0.800 25.695 1.00 0.00 H new ATOM 0 HA SER A 47 5.646 0.792 27.167 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.903 -0.811 29.122 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.535 -1.443 29.023 1.00 0.00 H new ATOM 0 HG SER A 47 6.375 0.349 30.508 1.00 0.00 H new ATOM 707 N LYS A 48 8.213 0.558 26.932 1.00 0.00 N ATOM 708 CA LYS A 48 9.610 0.433 26.431 1.00 0.00 C ATOM 709 C LYS A 48 10.326 -0.688 27.187 1.00 0.00 C ATOM 710 O LYS A 48 10.980 -1.526 26.598 1.00 0.00 O ATOM 711 CB LYS A 48 10.351 1.754 26.655 1.00 0.00 C ATOM 712 CG LYS A 48 11.608 1.789 25.783 1.00 0.00 C ATOM 713 CD LYS A 48 12.210 3.194 25.812 1.00 0.00 C ATOM 714 CE LYS A 48 12.977 3.396 27.120 1.00 0.00 C ATOM 715 NZ LYS A 48 13.777 4.651 27.038 1.00 0.00 N ATOM 0 H LYS A 48 7.988 1.450 27.373 1.00 0.00 H new ATOM 0 HA LYS A 48 9.595 0.200 25.366 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.701 2.594 26.409 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.622 1.858 27.706 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.335 1.063 26.146 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.361 1.509 24.759 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.878 3.332 24.962 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.421 3.941 25.722 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.281 3.450 27.957 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.633 2.545 27.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.312 4.780 27.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.439 4.589 26.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.139 5.461 26.898 1.00 0.00 H new ATOM 729 N PRO A 49 10.202 -0.697 28.486 1.00 0.00 N ATOM 730 CA PRO A 49 10.856 -1.717 29.354 1.00 0.00 C ATOM 731 C PRO A 49 10.511 -3.148 28.931 1.00 0.00 C ATOM 732 O PRO A 49 11.304 -4.057 29.078 1.00 0.00 O ATOM 733 CB PRO A 49 10.296 -1.422 30.746 1.00 0.00 C ATOM 734 CG PRO A 49 9.123 -0.526 30.521 1.00 0.00 C ATOM 735 CD PRO A 49 9.418 0.270 29.270 1.00 0.00 C ATOM 0 HA PRO A 49 11.943 -1.657 29.299 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.997 -2.340 31.252 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.043 -0.940 31.376 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.209 -1.108 30.403 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.972 0.136 31.374 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.508 0.575 28.754 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.982 1.178 29.485 1.00 0.00 H new ATOM 743 N GLN A 50 9.333 -3.354 28.408 1.00 0.00 N ATOM 744 CA GLN A 50 8.945 -4.723 27.962 1.00 0.00 C ATOM 745 C GLN A 50 9.679 -5.066 26.664 1.00 0.00 C ATOM 746 O GLN A 50 10.343 -6.079 26.564 1.00 0.00 O ATOM 747 CB GLN A 50 7.435 -4.773 27.723 1.00 0.00 C ATOM 748 CG GLN A 50 6.998 -6.225 27.523 1.00 0.00 C ATOM 749 CD GLN A 50 7.007 -6.951 28.869 1.00 0.00 C ATOM 750 OE1 GLN A 50 8.014 -7.501 29.269 1.00 0.00 O ATOM 751 NE2 GLN A 50 5.920 -6.976 29.591 1.00 0.00 N ATOM 0 H GLN A 50 8.623 -2.635 28.270 1.00 0.00 H new ATOM 0 HA GLN A 50 9.215 -5.445 28.732 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.907 -4.337 28.571 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.175 -4.180 26.846 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.000 -6.259 27.086 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.669 -6.725 26.824 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.074 -6.514 29.256 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.916 -7.457 30.490 1.00 0.00 H new ATOM 760 N LEU A 51 9.561 -4.233 25.667 1.00 0.00 N ATOM 761 CA LEU A 51 10.273 -4.500 24.385 1.00 0.00 C ATOM 762 C LEU A 51 11.783 -4.402 24.609 1.00 0.00 C ATOM 763 O LEU A 51 12.549 -5.192 24.095 1.00 0.00 O ATOM 764 CB LEU A 51 9.844 -3.467 23.340 1.00 0.00 C ATOM 765 CG LEU A 51 10.668 -3.657 22.066 1.00 0.00 C ATOM 766 CD1 LEU A 51 9.931 -3.027 20.882 1.00 0.00 C ATOM 767 CD2 LEU A 51 12.030 -2.980 22.236 1.00 0.00 C ATOM 0 H LEU A 51 9.003 -3.379 25.684 1.00 0.00 H new ATOM 0 HA LEU A 51 10.023 -5.501 24.032 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.782 -3.577 23.119 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.985 -2.459 23.730 1.00 0.00 H new ATOM 0 HG LEU A 51 10.810 -4.722 21.880 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.519 -3.162 19.974 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.960 -3.507 20.761 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.789 -1.962 21.067 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.619 -3.114 21.329 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.887 -1.915 22.421 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.556 -3.427 23.079 1.00 0.00 H new ATOM 779 N ALA A 52 12.218 -3.435 25.371 1.00 0.00 N ATOM 780 CA ALA A 52 13.678 -3.297 25.640 1.00 0.00 C ATOM 781 C ALA A 52 14.235 -4.631 26.144 1.00 0.00 C ATOM 782 O ALA A 52 15.287 -5.071 25.728 1.00 0.00 O ATOM 783 CB ALA A 52 13.900 -2.220 26.703 1.00 0.00 C ATOM 0 H ALA A 52 11.626 -2.735 25.818 1.00 0.00 H new ATOM 0 HA ALA A 52 14.190 -3.014 24.721 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.967 -2.118 26.901 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.505 -1.269 26.346 1.00 0.00 H new ATOM 0 HB3 ALA A 52 13.386 -2.504 27.622 1.00 0.00 H new ATOM 789 N ARG A 53 13.537 -5.274 27.039 1.00 0.00 N ATOM 790 CA ARG A 53 14.017 -6.588 27.554 1.00 0.00 C ATOM 791 C ARG A 53 14.041 -7.609 26.415 1.00 0.00 C ATOM 792 O ARG A 53 14.891 -8.477 26.367 1.00 0.00 O ATOM 793 CB ARG A 53 13.075 -7.074 28.658 1.00 0.00 C ATOM 794 CG ARG A 53 13.272 -6.219 29.910 1.00 0.00 C ATOM 795 CD ARG A 53 12.280 -6.654 30.990 1.00 0.00 C ATOM 796 NE ARG A 53 12.402 -5.751 32.168 1.00 0.00 N ATOM 797 CZ ARG A 53 13.496 -5.751 32.879 1.00 0.00 C ATOM 798 NH1 ARG A 53 14.486 -6.536 32.552 1.00 0.00 N ATOM 799 NH2 ARG A 53 13.602 -4.965 33.915 1.00 0.00 N ATOM 0 H ARG A 53 12.656 -4.947 27.436 1.00 0.00 H new ATOM 0 HA ARG A 53 15.024 -6.475 27.957 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.040 -7.012 28.321 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.274 -8.121 28.885 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.293 -6.323 30.277 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.125 -5.166 29.670 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.263 -6.623 30.599 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.477 -7.684 31.286 1.00 0.00 H new ATOM 0 HE ARG A 53 11.631 -5.133 32.419 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.404 -7.149 31.741 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.341 -6.536 33.107 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.829 -4.350 34.170 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.458 -4.966 34.470 1.00 0.00 H new ATOM 813 N TYR A 54 13.118 -7.515 25.499 1.00 0.00 N ATOM 814 CA TYR A 54 13.098 -8.475 24.361 1.00 0.00 C ATOM 815 C TYR A 54 14.375 -8.314 23.534 1.00 0.00 C ATOM 816 O TYR A 54 15.062 -9.272 23.240 1.00 0.00 O ATOM 817 CB TYR A 54 11.881 -8.196 23.477 1.00 0.00 C ATOM 818 CG TYR A 54 11.886 -9.141 22.300 1.00 0.00 C ATOM 819 CD1 TYR A 54 11.342 -10.424 22.429 1.00 0.00 C ATOM 820 CD2 TYR A 54 12.436 -8.733 21.077 1.00 0.00 C ATOM 821 CE1 TYR A 54 11.348 -11.300 21.337 1.00 0.00 C ATOM 822 CE2 TYR A 54 12.441 -9.609 19.986 1.00 0.00 C ATOM 823 CZ TYR A 54 11.897 -10.892 20.115 1.00 0.00 C ATOM 824 OH TYR A 54 11.902 -11.756 19.039 1.00 0.00 O ATOM 0 H TYR A 54 12.377 -6.815 25.489 1.00 0.00 H new ATOM 0 HA TYR A 54 13.041 -9.493 24.747 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.964 -8.320 24.053 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.901 -7.164 23.128 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.918 -10.738 23.371 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.856 -7.743 20.977 1.00 0.00 H new ATOM 0 HE1 TYR A 54 10.929 -12.290 21.437 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.865 -9.295 19.044 1.00 0.00 H new ATOM 0 HH TYR A 54 12.318 -11.316 18.268 1.00 0.00 H new ATOM 834 N LEU A 55 14.699 -7.107 23.155 1.00 0.00 N ATOM 835 CA LEU A 55 15.923 -6.887 22.333 1.00 0.00 C ATOM 836 C LEU A 55 17.164 -7.215 23.164 1.00 0.00 C ATOM 837 O LEU A 55 18.209 -7.538 22.636 1.00 0.00 O ATOM 838 CB LEU A 55 15.980 -5.425 21.886 1.00 0.00 C ATOM 839 CG LEU A 55 14.823 -5.139 20.928 1.00 0.00 C ATOM 840 CD1 LEU A 55 14.770 -3.641 20.623 1.00 0.00 C ATOM 841 CD2 LEU A 55 15.036 -5.915 19.626 1.00 0.00 C ATOM 0 H LEU A 55 14.169 -6.265 23.379 1.00 0.00 H new ATOM 0 HA LEU A 55 15.893 -7.535 21.457 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.920 -4.766 22.752 1.00 0.00 H new ATOM 0 HB3 LEU A 55 16.932 -5.221 21.395 1.00 0.00 H new ATOM 0 HG LEU A 55 13.885 -5.450 21.389 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.945 -3.438 19.940 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.620 -3.086 21.549 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.708 -3.330 20.162 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.212 -5.712 18.942 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.974 -5.604 19.166 1.00 0.00 H new ATOM 0 HD23 LEU A 55 15.074 -6.983 19.841 1.00 0.00 H new ATOM 853 N GLY A 56 17.060 -7.136 24.463 1.00 0.00 N ATOM 854 CA GLY A 56 18.232 -7.457 25.325 1.00 0.00 C ATOM 855 C GLY A 56 19.327 -6.411 25.111 1.00 0.00 C ATOM 856 O GLY A 56 19.078 -5.222 25.147 1.00 0.00 O ATOM 0 H GLY A 56 16.214 -6.863 24.964 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.932 -7.475 26.373 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.612 -8.450 25.085 1.00 0.00 H new ATOM 860 N ASN A 57 20.539 -6.843 24.890 1.00 0.00 N ATOM 861 CA ASN A 57 21.649 -5.873 24.678 1.00 0.00 C ATOM 862 C ASN A 57 21.995 -5.811 23.189 1.00 0.00 C ATOM 863 O ASN A 57 23.133 -5.614 22.813 1.00 0.00 O ATOM 864 CB ASN A 57 22.878 -6.323 25.468 1.00 0.00 C ATOM 865 CG ASN A 57 23.369 -7.668 24.929 1.00 0.00 C ATOM 866 OD1 ASN A 57 22.775 -8.226 24.028 1.00 0.00 O ATOM 867 ND2 ASN A 57 24.435 -8.215 25.445 1.00 0.00 N ATOM 0 H ASN A 57 20.808 -7.826 24.847 1.00 0.00 H new ATOM 0 HA ASN A 57 21.338 -4.886 25.021 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.668 -5.577 25.387 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.631 -6.412 26.526 1.00 0.00 H new ATOM 0 HD21 ASN A 57 24.770 -9.111 25.092 1.00 0.00 H new ATOM 0 HD22 ASN A 57 24.933 -7.746 26.201 1.00 0.00 H new ATOM 874 N ALA A 58 21.021 -5.980 22.336 1.00 0.00 N ATOM 875 CA ALA A 58 21.297 -5.938 20.873 1.00 0.00 C ATOM 876 C ALA A 58 20.978 -4.542 20.333 1.00 0.00 C ATOM 877 O ALA A 58 21.469 -4.140 19.297 1.00 0.00 O ATOM 878 CB ALA A 58 20.424 -6.973 20.159 1.00 0.00 C ATOM 0 H ALA A 58 20.047 -6.145 22.590 1.00 0.00 H new ATOM 0 HA ALA A 58 22.348 -6.165 20.695 1.00 0.00 H new ATOM 0 HB1 ALA A 58 20.626 -6.943 19.088 1.00 0.00 H new ATOM 0 HB2 ALA A 58 20.651 -7.968 20.543 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.373 -6.747 20.337 1.00 0.00 H new ATOM 884 N VAL A 59 20.161 -3.800 21.029 1.00 0.00 N ATOM 885 CA VAL A 59 19.810 -2.432 20.555 1.00 0.00 C ATOM 886 C VAL A 59 19.640 -1.503 21.759 1.00 0.00 C ATOM 887 O VAL A 59 19.219 -1.919 22.821 1.00 0.00 O ATOM 888 CB VAL A 59 18.502 -2.486 19.763 1.00 0.00 C ATOM 889 CG1 VAL A 59 18.004 -1.063 19.500 1.00 0.00 C ATOM 890 CG2 VAL A 59 18.744 -3.195 18.428 1.00 0.00 C ATOM 0 H VAL A 59 19.722 -4.082 21.905 1.00 0.00 H new ATOM 0 HA VAL A 59 20.607 -2.054 19.914 1.00 0.00 H new ATOM 0 HB VAL A 59 17.753 -3.033 20.336 1.00 0.00 H new ATOM 0 HG11 VAL A 59 17.072 -1.102 18.936 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.832 -0.556 20.450 1.00 0.00 H new ATOM 0 HG13 VAL A 59 18.752 -0.516 18.927 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.813 -3.234 17.863 1.00 0.00 H new ATOM 0 HG22 VAL A 59 19.493 -2.648 17.856 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.099 -4.209 18.614 1.00 0.00 H new ATOM 900 N ASP A 60 19.963 -0.249 21.603 1.00 0.00 N ATOM 901 CA ASP A 60 19.822 0.704 22.741 1.00 0.00 C ATOM 902 C ASP A 60 18.583 1.575 22.526 1.00 0.00 C ATOM 903 O ASP A 60 18.470 2.279 21.541 1.00 0.00 O ATOM 904 CB ASP A 60 21.064 1.593 22.819 1.00 0.00 C ATOM 905 CG ASP A 60 22.288 0.735 23.144 1.00 0.00 C ATOM 906 OD1 ASP A 60 22.109 -0.313 23.744 1.00 0.00 O ATOM 907 OD2 ASP A 60 23.382 1.139 22.788 1.00 0.00 O ATOM 0 H ASP A 60 20.318 0.157 20.738 1.00 0.00 H new ATOM 0 HA ASP A 60 19.716 0.146 23.671 1.00 0.00 H new ATOM 0 HB2 ASP A 60 21.212 2.112 21.872 1.00 0.00 H new ATOM 0 HB3 ASP A 60 20.929 2.357 23.584 1.00 0.00 H new ATOM 912 N LEU A 61 17.652 1.536 23.439 1.00 0.00 N ATOM 913 CA LEU A 61 16.426 2.369 23.291 1.00 0.00 C ATOM 914 C LEU A 61 16.393 3.427 24.396 1.00 0.00 C ATOM 915 O LEU A 61 15.354 3.971 24.716 1.00 0.00 O ATOM 916 CB LEU A 61 15.187 1.478 23.399 1.00 0.00 C ATOM 917 CG LEU A 61 14.949 0.768 22.067 1.00 0.00 C ATOM 918 CD1 LEU A 61 13.825 -0.256 22.226 1.00 0.00 C ATOM 919 CD2 LEU A 61 14.555 1.797 21.004 1.00 0.00 C ATOM 0 H LEU A 61 17.688 0.963 24.282 1.00 0.00 H new ATOM 0 HA LEU A 61 16.435 2.860 22.318 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.322 0.745 24.194 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.317 2.079 23.663 1.00 0.00 H new ATOM 0 HG LEU A 61 15.862 0.258 21.760 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.656 -0.762 21.275 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.105 -0.989 22.982 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.911 0.252 22.534 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.385 1.291 20.053 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.642 2.307 21.312 1.00 0.00 H new ATOM 0 HD23 LEU A 61 15.357 2.526 20.889 1.00 0.00 H new ATOM 931 N SER A 62 17.521 3.723 24.981 1.00 0.00 N ATOM 932 CA SER A 62 17.550 4.734 26.076 1.00 0.00 C ATOM 933 C SER A 62 17.645 6.136 25.472 1.00 0.00 C ATOM 934 O SER A 62 17.011 7.065 25.932 1.00 0.00 O ATOM 935 CB SER A 62 18.763 4.480 26.971 1.00 0.00 C ATOM 936 OG SER A 62 18.647 3.195 27.567 1.00 0.00 O ATOM 0 H SER A 62 18.424 3.309 24.748 1.00 0.00 H new ATOM 0 HA SER A 62 16.639 4.655 26.669 1.00 0.00 H new ATOM 0 HB2 SER A 62 19.680 4.540 26.385 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.827 5.247 27.743 1.00 0.00 H new ATOM 0 HG SER A 62 19.424 3.029 28.140 1.00 0.00 H new ATOM 942 N CYS A 63 18.433 6.298 24.445 1.00 0.00 N ATOM 943 CA CYS A 63 18.576 7.643 23.819 1.00 0.00 C ATOM 944 C CYS A 63 17.218 8.101 23.284 1.00 0.00 C ATOM 945 O CYS A 63 16.818 9.234 23.468 1.00 0.00 O ATOM 946 CB CYS A 63 19.579 7.565 22.666 1.00 0.00 C ATOM 947 SG CYS A 63 21.243 7.312 23.329 1.00 0.00 S ATOM 0 H CYS A 63 18.984 5.557 24.012 1.00 0.00 H new ATOM 0 HA CYS A 63 18.933 8.355 24.563 1.00 0.00 H new ATOM 0 HB2 CYS A 63 19.315 6.747 21.995 1.00 0.00 H new ATOM 0 HB3 CYS A 63 19.546 8.483 22.078 1.00 0.00 H new ATOM 0 HG CYS A 63 22.095 7.243 22.349 1.00 0.00 H new ATOM 953 N PHE A 64 16.505 7.231 22.623 1.00 0.00 N ATOM 954 CA PHE A 64 15.172 7.617 22.080 1.00 0.00 C ATOM 955 C PHE A 64 14.072 6.963 22.918 1.00 0.00 C ATOM 956 O PHE A 64 14.317 6.045 23.675 1.00 0.00 O ATOM 957 CB PHE A 64 15.056 7.146 20.629 1.00 0.00 C ATOM 958 CG PHE A 64 13.682 7.479 20.100 1.00 0.00 C ATOM 959 CD1 PHE A 64 13.383 8.789 19.704 1.00 0.00 C ATOM 960 CD2 PHE A 64 12.707 6.480 20.005 1.00 0.00 C ATOM 961 CE1 PHE A 64 12.109 9.098 19.212 1.00 0.00 C ATOM 962 CE2 PHE A 64 11.433 6.788 19.514 1.00 0.00 C ATOM 963 CZ PHE A 64 11.133 8.098 19.118 1.00 0.00 C ATOM 0 H PHE A 64 16.788 6.269 22.435 1.00 0.00 H new ATOM 0 HA PHE A 64 15.063 8.701 22.119 1.00 0.00 H new ATOM 0 HB2 PHE A 64 15.819 7.627 20.017 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.230 6.072 20.569 1.00 0.00 H new ATOM 0 HD1 PHE A 64 14.135 9.561 19.778 1.00 0.00 H new ATOM 0 HD2 PHE A 64 12.938 5.470 20.311 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.879 10.108 18.905 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.681 6.016 19.440 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.150 8.337 18.740 1.00 0.00 H new ATOM 973 N ASP A 65 12.859 7.428 22.789 1.00 0.00 N ATOM 974 CA ASP A 65 11.743 6.827 23.573 1.00 0.00 C ATOM 975 C ASP A 65 11.304 5.519 22.913 1.00 0.00 C ATOM 976 O ASP A 65 12.065 4.576 22.813 1.00 0.00 O ATOM 977 CB ASP A 65 10.564 7.801 23.611 1.00 0.00 C ATOM 978 CG ASP A 65 10.969 9.064 24.370 1.00 0.00 C ATOM 979 OD1 ASP A 65 11.698 8.941 25.340 1.00 0.00 O ATOM 980 OD2 ASP A 65 10.543 10.136 23.969 1.00 0.00 O ATOM 0 H ASP A 65 12.593 8.198 22.175 1.00 0.00 H new ATOM 0 HA ASP A 65 12.080 6.626 24.590 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.257 8.056 22.597 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.707 7.332 24.095 1.00 0.00 H new ATOM 985 N PHE A 66 10.082 5.452 22.460 1.00 0.00 N ATOM 986 CA PHE A 66 9.592 4.201 21.817 1.00 0.00 C ATOM 987 C PHE A 66 8.151 4.401 21.344 1.00 0.00 C ATOM 988 O PHE A 66 7.647 3.655 20.528 1.00 0.00 O ATOM 989 CB PHE A 66 9.644 3.053 22.826 1.00 0.00 C ATOM 990 CG PHE A 66 8.619 3.289 23.910 1.00 0.00 C ATOM 991 CD1 PHE A 66 8.783 4.347 24.812 1.00 0.00 C ATOM 992 CD2 PHE A 66 7.502 2.450 24.012 1.00 0.00 C ATOM 993 CE1 PHE A 66 7.833 4.566 25.815 1.00 0.00 C ATOM 994 CE2 PHE A 66 6.552 2.670 25.015 1.00 0.00 C ATOM 995 CZ PHE A 66 6.717 3.727 25.917 1.00 0.00 C ATOM 0 H PHE A 66 9.402 6.210 22.508 1.00 0.00 H new ATOM 0 HA PHE A 66 10.225 3.961 20.962 1.00 0.00 H new ATOM 0 HB2 PHE A 66 9.448 2.105 22.325 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.641 2.983 23.262 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.644 4.995 24.733 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.374 1.634 23.317 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.960 5.382 26.511 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.690 2.023 25.093 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.984 3.895 26.692 1.00 0.00 H new ATOM 1005 N ARG A 67 7.485 5.402 21.850 1.00 0.00 N ATOM 1006 CA ARG A 67 6.073 5.641 21.437 1.00 0.00 C ATOM 1007 C ARG A 67 5.958 5.524 19.916 1.00 0.00 C ATOM 1008 O ARG A 67 5.012 4.966 19.396 1.00 0.00 O ATOM 1009 CB ARG A 67 5.643 7.041 21.876 1.00 0.00 C ATOM 1010 CG ARG A 67 6.102 7.291 23.313 1.00 0.00 C ATOM 1011 CD ARG A 67 5.078 8.174 24.031 1.00 0.00 C ATOM 1012 NE ARG A 67 4.568 7.463 25.236 1.00 0.00 N ATOM 1013 CZ ARG A 67 4.055 6.268 25.122 1.00 0.00 C ATOM 1014 NH1 ARG A 67 3.989 5.696 23.951 1.00 0.00 N ATOM 1015 NH2 ARG A 67 3.607 5.647 26.178 1.00 0.00 N ATOM 0 H ARG A 67 7.857 6.064 22.531 1.00 0.00 H new ATOM 0 HA ARG A 67 5.427 4.899 21.907 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.073 7.790 21.211 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.559 7.138 21.807 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.214 6.344 23.840 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.079 7.774 23.315 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.537 9.120 24.320 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.253 8.412 23.360 1.00 0.00 H new ATOM 0 HE ARG A 67 4.620 7.910 26.151 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.338 6.183 23.125 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.588 4.762 23.861 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.657 6.095 27.093 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.206 4.713 26.089 1.00 0.00 H new ATOM 1029 N THR A 68 6.916 6.045 19.199 1.00 0.00 N ATOM 1030 CA THR A 68 6.855 5.974 17.711 1.00 0.00 C ATOM 1031 C THR A 68 7.910 4.990 17.204 1.00 0.00 C ATOM 1032 O THR A 68 7.689 4.258 16.259 1.00 0.00 O ATOM 1033 CB THR A 68 7.126 7.361 17.122 1.00 0.00 C ATOM 1034 OG1 THR A 68 8.468 7.735 17.396 1.00 0.00 O ATOM 1035 CG2 THR A 68 6.172 8.379 17.750 1.00 0.00 C ATOM 0 H THR A 68 7.737 6.516 19.578 1.00 0.00 H new ATOM 0 HA THR A 68 5.865 5.636 17.404 1.00 0.00 H new ATOM 0 HB THR A 68 6.968 7.336 16.044 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.484 8.635 17.783 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.366 9.366 17.330 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.142 8.091 17.539 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.328 8.406 18.828 1.00 0.00 H new ATOM 1043 N GLY A 69 9.059 4.965 17.824 1.00 0.00 N ATOM 1044 CA GLY A 69 10.124 4.023 17.381 1.00 0.00 C ATOM 1045 C GLY A 69 11.060 4.732 16.400 1.00 0.00 C ATOM 1046 O GLY A 69 11.350 4.231 15.332 1.00 0.00 O ATOM 0 H GLY A 69 9.305 5.556 18.618 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.687 3.664 18.242 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.677 3.150 16.906 1.00 0.00 H new ATOM 1050 N LYS A 70 11.534 5.895 16.754 1.00 0.00 N ATOM 1051 CA LYS A 70 12.458 6.630 15.845 1.00 0.00 C ATOM 1052 C LYS A 70 13.886 6.541 16.390 1.00 0.00 C ATOM 1053 O LYS A 70 14.104 6.185 17.530 1.00 0.00 O ATOM 1054 CB LYS A 70 12.034 8.097 15.764 1.00 0.00 C ATOM 1055 CG LYS A 70 10.670 8.197 15.078 1.00 0.00 C ATOM 1056 CD LYS A 70 10.262 9.668 14.965 1.00 0.00 C ATOM 1057 CE LYS A 70 8.877 9.765 14.323 1.00 0.00 C ATOM 1058 NZ LYS A 70 8.943 9.265 12.920 1.00 0.00 N ATOM 0 H LYS A 70 11.322 6.368 17.633 1.00 0.00 H new ATOM 0 HA LYS A 70 12.420 6.186 14.850 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.982 8.527 16.764 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.775 8.671 15.208 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.715 7.744 14.088 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.923 7.644 15.648 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.250 10.130 15.952 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.991 10.214 14.366 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.157 9.180 14.895 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.530 10.798 14.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.113 9.602 12.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.809 9.619 12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.953 8.225 12.922 1.00 0.00 H new ATOM 1072 N MET A 71 14.860 6.862 15.582 1.00 0.00 N ATOM 1073 CA MET A 71 16.272 6.789 16.053 1.00 0.00 C ATOM 1074 C MET A 71 16.867 8.198 16.100 1.00 0.00 C ATOM 1075 O MET A 71 16.661 9.000 15.210 1.00 0.00 O ATOM 1076 CB MET A 71 17.087 5.923 15.089 1.00 0.00 C ATOM 1077 CG MET A 71 18.425 5.560 15.736 1.00 0.00 C ATOM 1078 SD MET A 71 18.495 3.774 16.015 1.00 0.00 S ATOM 1079 CE MET A 71 17.462 3.737 17.501 1.00 0.00 C ATOM 0 H MET A 71 14.739 7.171 14.618 1.00 0.00 H new ATOM 0 HA MET A 71 16.301 6.349 17.050 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.534 5.017 14.840 1.00 0.00 H new ATOM 0 HB3 MET A 71 17.256 6.460 14.155 1.00 0.00 H new ATOM 0 HG2 MET A 71 19.248 5.871 15.093 1.00 0.00 H new ATOM 0 HG3 MET A 71 18.540 6.091 16.681 1.00 0.00 H new ATOM 0 HE1 MET A 71 17.455 2.728 17.914 1.00 0.00 H new ATOM 0 HE2 MET A 71 17.864 4.429 18.241 1.00 0.00 H new ATOM 0 HE3 MET A 71 16.444 4.031 17.244 1.00 0.00 H new