USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=19 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 171:sc= 1.38 USER MOD Set 1.2: A 41 SER OG : rot -45:sc= 0.898 USER MOD Set 1.3: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 8 THR OG1 : rot -140:sc= 0.0626 USER MOD Set 2.2: A 10 CYS SG : rot -154:sc= -2.23 USER MOD Set 2.3: A 19 LYS NZ :NH3+ -138:sc= -2.27! (180deg=-3.39!) USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= -0.0302 (180deg=-0.338) 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= 0.0203 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -160:sc= -0.64 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -66:sc= 0.44 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= -1.67 (180deg=-1.82) USER MOD Single : A 47 SER OG : rot -70:sc= -0.222 USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0.233 (180deg=0.213) USER MOD Single : A 50 GLN : amide:sc= -7.32! C(o=-7.3!,f=-7.2!) USER MOD Single : A 57 ASN : amide:sc= -0.094 X(o=-0.094,f=-0.22) USER MOD Single : A 62 SER OG : rot 62:sc= 1.11 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.72 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 156:sc= -0.0644 (180deg=-1.18) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -4.638 -0.197 12.079 1.00 0.00 N ATOM 53 CA GLY A 6 -3.594 0.530 11.301 1.00 0.00 C ATOM 54 C GLY A 6 -2.218 0.246 11.903 1.00 0.00 C ATOM 55 O GLY A 6 -1.673 1.047 12.637 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.618 0.215 10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.795 1.601 11.316 1.00 0.00 H new ATOM 59 N ARG A 7 -1.650 -0.889 11.600 1.00 0.00 N ATOM 60 CA ARG A 7 -0.297 -1.211 12.132 1.00 0.00 C ATOM 61 C ARG A 7 0.768 -0.552 11.254 1.00 0.00 C ATOM 62 O ARG A 7 0.526 -0.219 10.110 1.00 0.00 O ATOM 63 CB ARG A 7 -0.094 -2.728 12.127 1.00 0.00 C ATOM 64 CG ARG A 7 -0.137 -3.244 10.687 1.00 0.00 C ATOM 65 CD ARG A 7 -0.008 -4.768 10.686 1.00 0.00 C ATOM 66 NE ARG A 7 0.874 -5.191 9.562 1.00 0.00 N ATOM 67 CZ ARG A 7 0.638 -4.764 8.352 1.00 0.00 C ATOM 68 NH1 ARG A 7 -0.370 -3.967 8.126 1.00 0.00 N ATOM 69 NH2 ARG A 7 1.410 -5.134 7.367 1.00 0.00 N ATOM 0 H ARG A 7 -2.065 -1.607 11.007 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.210 -0.836 13.152 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.862 -2.979 12.586 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.870 -3.211 12.721 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.072 -2.947 10.211 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.671 -2.800 10.106 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.405 -5.109 11.635 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.991 -5.227 10.583 1.00 0.00 H new ATOM 0 HE ARG A 7 1.662 -5.814 9.739 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.974 -3.678 8.895 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.554 -3.633 7.180 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.198 -5.757 7.543 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.225 -4.800 6.421 1.00 0.00 H new ATOM 83 N THR A 8 1.948 -0.361 11.778 1.00 0.00 N ATOM 84 CA THR A 8 3.022 0.295 10.980 1.00 0.00 C ATOM 85 C THR A 8 4.363 -0.378 11.281 1.00 0.00 C ATOM 86 O THR A 8 4.575 -0.908 12.353 1.00 0.00 O ATOM 87 CB THR A 8 3.100 1.778 11.350 1.00 0.00 C ATOM 88 OG1 THR A 8 3.437 1.904 12.724 1.00 0.00 O ATOM 89 CG2 THR A 8 1.748 2.443 11.090 1.00 0.00 C ATOM 0 H THR A 8 2.215 -0.631 12.725 1.00 0.00 H new ATOM 0 HA THR A 8 2.797 0.198 9.918 1.00 0.00 H new ATOM 0 HB THR A 8 3.863 2.265 10.743 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.918 2.634 13.122 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.805 3.499 11.354 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.492 2.346 10.035 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.982 1.959 11.695 1.00 0.00 H new ATOM 97 N ASP A 9 5.270 -0.362 10.343 1.00 0.00 N ATOM 98 CA ASP A 9 6.603 -0.980 10.586 1.00 0.00 C ATOM 99 C ASP A 9 7.436 -0.061 11.482 1.00 0.00 C ATOM 100 O ASP A 9 7.192 1.127 11.568 1.00 0.00 O ATOM 101 CB ASP A 9 7.324 -1.179 9.251 1.00 0.00 C ATOM 102 CG ASP A 9 8.620 -1.960 9.482 1.00 0.00 C ATOM 103 OD1 ASP A 9 8.536 -3.085 9.943 1.00 0.00 O ATOM 104 OD2 ASP A 9 9.673 -1.416 9.194 1.00 0.00 O ATOM 0 H ASP A 9 5.145 0.052 9.419 1.00 0.00 H new ATOM 0 HA ASP A 9 6.472 -1.945 11.076 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.681 -1.718 8.555 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.545 -0.213 8.797 1.00 0.00 H new ATOM 109 N CYS A 10 8.420 -0.599 12.150 1.00 0.00 N ATOM 110 CA CYS A 10 9.265 0.244 13.041 1.00 0.00 C ATOM 111 C CYS A 10 10.630 0.466 12.388 1.00 0.00 C ATOM 112 O CYS A 10 11.380 -0.464 12.165 1.00 0.00 O ATOM 113 CB CYS A 10 9.452 -0.463 14.386 1.00 0.00 C ATOM 114 SG CYS A 10 7.898 -0.415 15.313 1.00 0.00 S ATOM 0 H CYS A 10 8.675 -1.586 12.117 1.00 0.00 H new ATOM 0 HA CYS A 10 8.778 1.206 13.201 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.761 -1.496 14.226 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.244 0.022 14.957 1.00 0.00 H new ATOM 0 HG CYS A 10 8.150 -0.492 16.586 1.00 0.00 H new ATOM 120 N PRO A 11 10.946 1.695 12.084 1.00 0.00 N ATOM 121 CA PRO A 11 12.239 2.061 11.440 1.00 0.00 C ATOM 122 C PRO A 11 13.415 1.991 12.419 1.00 0.00 C ATOM 123 O PRO A 11 14.532 1.700 12.042 1.00 0.00 O ATOM 124 CB PRO A 11 12.020 3.501 10.972 1.00 0.00 C ATOM 125 CG PRO A 11 10.960 4.053 11.867 1.00 0.00 C ATOM 126 CD PRO A 11 10.097 2.872 12.322 1.00 0.00 C ATOM 0 HA PRO A 11 12.495 1.375 10.632 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.939 4.082 11.047 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.708 3.531 9.928 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.404 4.559 12.724 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.356 4.791 11.339 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.823 2.960 13.373 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.168 2.815 11.754 1.00 0.00 H new ATOM 134 N ALA A 12 13.171 2.257 13.673 1.00 0.00 N ATOM 135 CA ALA A 12 14.273 2.197 14.675 1.00 0.00 C ATOM 136 C ALA A 12 14.515 0.743 15.083 1.00 0.00 C ATOM 137 O ALA A 12 15.457 0.433 15.785 1.00 0.00 O ATOM 138 CB ALA A 12 13.885 3.016 15.908 1.00 0.00 C ATOM 0 H ALA A 12 12.257 2.513 14.047 1.00 0.00 H new ATOM 0 HA ALA A 12 15.184 2.606 14.238 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.690 2.973 16.642 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.714 4.053 15.617 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.974 2.607 16.345 1.00 0.00 H new ATOM 144 N LEU A 13 13.670 -0.153 14.649 1.00 0.00 N ATOM 145 CA LEU A 13 13.846 -1.585 15.023 1.00 0.00 C ATOM 146 C LEU A 13 14.085 -2.415 13.760 1.00 0.00 C ATOM 147 O LEU A 13 13.663 -2.053 12.679 1.00 0.00 O ATOM 148 CB LEU A 13 12.587 -2.086 15.732 1.00 0.00 C ATOM 149 CG LEU A 13 12.671 -1.747 17.221 1.00 0.00 C ATOM 150 CD1 LEU A 13 12.806 -0.233 17.394 1.00 0.00 C ATOM 151 CD2 LEU A 13 11.400 -2.228 17.925 1.00 0.00 C ATOM 0 H LEU A 13 12.867 0.045 14.052 1.00 0.00 H new ATOM 0 HA LEU A 13 14.702 -1.684 15.691 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.702 -1.626 15.293 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.486 -3.163 15.598 1.00 0.00 H new ATOM 0 HG LEU A 13 13.539 -2.241 17.657 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.866 0.008 18.455 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.710 0.111 16.892 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.938 0.262 16.958 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.459 -1.987 18.986 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.533 -1.733 17.488 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.302 -3.307 17.803 1.00 0.00 H new ATOM 163 N PRO A 14 14.758 -3.524 13.901 1.00 0.00 N ATOM 164 CA PRO A 14 15.048 -4.445 12.764 1.00 0.00 C ATOM 165 C PRO A 14 13.841 -4.617 11.837 1.00 0.00 C ATOM 166 O PRO A 14 12.711 -4.415 12.232 1.00 0.00 O ATOM 167 CB PRO A 14 15.393 -5.772 13.443 1.00 0.00 C ATOM 168 CG PRO A 14 15.867 -5.412 14.813 1.00 0.00 C ATOM 169 CD PRO A 14 15.319 -4.020 15.167 1.00 0.00 C ATOM 0 HA PRO A 14 15.848 -4.062 12.130 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.523 -6.427 13.489 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.165 -6.306 12.889 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.525 -6.150 15.539 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.956 -5.411 14.849 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.558 -4.077 15.945 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.106 -3.364 15.539 1.00 0.00 H new ATOM 177 N PRO A 15 14.089 -4.990 10.612 1.00 0.00 N ATOM 178 CA PRO A 15 13.016 -5.186 9.595 1.00 0.00 C ATOM 179 C PRO A 15 12.008 -6.259 10.017 1.00 0.00 C ATOM 180 O PRO A 15 12.359 -7.402 10.239 1.00 0.00 O ATOM 181 CB PRO A 15 13.777 -5.630 8.346 1.00 0.00 C ATOM 182 CG PRO A 15 15.104 -6.110 8.837 1.00 0.00 C ATOM 183 CD PRO A 15 15.425 -5.265 10.060 1.00 0.00 C ATOM 0 HA PRO A 15 12.427 -4.281 9.447 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.243 -6.422 7.822 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.894 -4.805 7.643 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.066 -7.169 9.093 1.00 0.00 H new ATOM 0 HG3 PRO A 15 15.870 -5.994 8.070 1.00 0.00 H new ATOM 0 HD2 PRO A 15 16.056 -5.800 10.770 1.00 0.00 H new ATOM 0 HD3 PRO A 15 15.951 -4.348 9.794 1.00 0.00 H new ATOM 191 N GLY A 16 10.758 -5.901 10.129 1.00 0.00 N ATOM 192 CA GLY A 16 9.730 -6.899 10.543 1.00 0.00 C ATOM 193 C GLY A 16 9.016 -6.403 11.801 1.00 0.00 C ATOM 194 O GLY A 16 7.866 -6.718 12.038 1.00 0.00 O ATOM 0 H GLY A 16 10.404 -4.961 9.952 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.010 -7.050 9.739 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.200 -7.863 10.735 1.00 0.00 H new ATOM 198 N TRP A 17 9.686 -5.628 12.610 1.00 0.00 N ATOM 199 CA TRP A 17 9.041 -5.106 13.847 1.00 0.00 C ATOM 200 C TRP A 17 7.825 -4.258 13.469 1.00 0.00 C ATOM 201 O TRP A 17 7.877 -3.450 12.562 1.00 0.00 O ATOM 202 CB TRP A 17 10.042 -4.246 14.621 1.00 0.00 C ATOM 203 CG TRP A 17 10.870 -5.120 15.507 1.00 0.00 C ATOM 204 CD1 TRP A 17 12.062 -5.663 15.169 1.00 0.00 C ATOM 205 CD2 TRP A 17 10.592 -5.559 16.868 1.00 0.00 C ATOM 206 NE1 TRP A 17 12.532 -6.408 16.234 1.00 0.00 N ATOM 207 CE2 TRP A 17 11.662 -6.375 17.305 1.00 0.00 C ATOM 208 CE3 TRP A 17 9.524 -5.331 17.756 1.00 0.00 C ATOM 209 CZ2 TRP A 17 11.673 -6.945 18.579 1.00 0.00 C ATOM 210 CZ3 TRP A 17 9.533 -5.904 19.039 1.00 0.00 C ATOM 211 CH2 TRP A 17 10.606 -6.709 19.449 1.00 0.00 C ATOM 0 H TRP A 17 10.652 -5.334 12.467 1.00 0.00 H new ATOM 0 HA TRP A 17 8.722 -5.941 14.470 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.683 -3.702 13.927 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.514 -3.502 15.217 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.564 -5.535 14.222 1.00 0.00 H new ATOM 0 HE1 TRP A 17 13.414 -6.920 16.229 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.693 -4.712 17.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 12.501 -7.565 18.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 8.709 -5.724 19.713 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.607 -7.146 20.437 1.00 0.00 H new ATOM 222 N LYS A 18 6.730 -4.435 14.155 1.00 0.00 N ATOM 223 CA LYS A 18 5.514 -3.634 13.838 1.00 0.00 C ATOM 224 C LYS A 18 4.997 -2.965 15.113 1.00 0.00 C ATOM 225 O LYS A 18 5.197 -3.453 16.207 1.00 0.00 O ATOM 226 CB LYS A 18 4.431 -4.554 13.270 1.00 0.00 C ATOM 227 CG LYS A 18 4.873 -5.080 11.902 1.00 0.00 C ATOM 228 CD LYS A 18 3.807 -6.029 11.351 1.00 0.00 C ATOM 229 CE LYS A 18 4.208 -6.488 9.948 1.00 0.00 C ATOM 230 NZ LYS A 18 5.468 -7.281 10.027 1.00 0.00 N ATOM 0 H LYS A 18 6.624 -5.100 14.921 1.00 0.00 H new ATOM 0 HA LYS A 18 5.764 -2.870 13.102 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.252 -5.386 13.951 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.490 -4.011 13.176 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.026 -4.249 11.213 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.827 -5.600 11.991 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.697 -6.891 12.009 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.840 -5.527 11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.413 -7.091 9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.349 -5.625 9.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.589 -7.828 9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.276 -6.638 10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.419 -7.931 10.837 1.00 0.00 H new ATOM 244 N LYS A 19 4.334 -1.849 14.981 1.00 0.00 N ATOM 245 CA LYS A 19 3.806 -1.150 16.186 1.00 0.00 C ATOM 246 C LYS A 19 2.380 -0.668 15.912 1.00 0.00 C ATOM 247 O LYS A 19 2.044 -0.287 14.809 1.00 0.00 O ATOM 248 CB LYS A 19 4.696 0.051 16.511 1.00 0.00 C ATOM 249 CG LYS A 19 4.719 1.008 15.317 1.00 0.00 C ATOM 250 CD LYS A 19 5.634 2.194 15.630 1.00 0.00 C ATOM 251 CE LYS A 19 5.606 3.184 14.465 1.00 0.00 C ATOM 252 NZ LYS A 19 6.222 2.553 13.263 1.00 0.00 N ATOM 0 H LYS A 19 4.135 -1.391 14.091 1.00 0.00 H new ATOM 0 HA LYS A 19 3.801 -1.838 17.032 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.321 0.566 17.396 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.707 -0.284 16.741 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.073 0.487 14.427 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.711 1.360 15.101 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.308 2.686 16.546 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.653 1.846 15.800 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.579 3.479 14.249 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.148 4.091 14.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.833 3.244 12.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.791 1.732 13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.473 2.241 12.612 1.00 0.00 H new ATOM 266 N GLU A 20 1.538 -0.680 16.910 1.00 0.00 N ATOM 267 CA GLU A 20 0.135 -0.221 16.706 1.00 0.00 C ATOM 268 C GLU A 20 -0.189 0.887 17.710 1.00 0.00 C ATOM 269 O GLU A 20 0.392 0.962 18.774 1.00 0.00 O ATOM 270 CB GLU A 20 -0.822 -1.397 16.918 1.00 0.00 C ATOM 271 CG GLU A 20 -2.259 -0.938 16.660 1.00 0.00 C ATOM 272 CD GLU A 20 -3.215 -2.117 16.858 1.00 0.00 C ATOM 273 OE1 GLU A 20 -2.777 -3.126 17.385 1.00 0.00 O ATOM 274 OE2 GLU A 20 -4.367 -1.989 16.479 1.00 0.00 O ATOM 0 H GLU A 20 1.761 -0.988 17.857 1.00 0.00 H new ATOM 0 HA GLU A 20 0.021 0.162 15.692 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.564 -2.215 16.246 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.728 -1.778 17.935 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.520 -0.126 17.339 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.351 -0.548 15.646 1.00 0.00 H new ATOM 281 N GLU A 21 -1.112 1.748 17.381 1.00 0.00 N ATOM 282 CA GLU A 21 -1.479 2.844 18.322 1.00 0.00 C ATOM 283 C GLU A 21 -2.992 2.838 18.549 1.00 0.00 C ATOM 284 O GLU A 21 -3.765 3.092 17.647 1.00 0.00 O ATOM 285 CB GLU A 21 -1.057 4.189 17.728 1.00 0.00 C ATOM 286 CG GLU A 21 -1.328 5.304 18.741 1.00 0.00 C ATOM 287 CD GLU A 21 -0.839 6.638 18.176 1.00 0.00 C ATOM 288 OE1 GLU A 21 -1.131 6.915 17.024 1.00 0.00 O ATOM 289 OE2 GLU A 21 -0.182 7.362 18.905 1.00 0.00 O ATOM 0 H GLU A 21 -1.628 1.740 16.501 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.969 2.691 19.273 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.002 4.168 17.469 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.607 4.380 16.806 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.394 5.359 18.960 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.820 5.087 19.681 1.00 0.00 H new ATOM 296 N VAL A 22 -3.420 2.549 19.747 1.00 0.00 N ATOM 297 CA VAL A 22 -4.882 2.523 20.029 1.00 0.00 C ATOM 298 C VAL A 22 -5.260 3.736 20.882 1.00 0.00 C ATOM 299 O VAL A 22 -4.640 4.016 21.889 1.00 0.00 O ATOM 300 CB VAL A 22 -5.232 1.240 20.786 1.00 0.00 C ATOM 301 CG1 VAL A 22 -6.657 1.342 21.335 1.00 0.00 C ATOM 302 CG2 VAL A 22 -5.140 0.046 19.834 1.00 0.00 C ATOM 0 H VAL A 22 -2.820 2.330 20.542 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.433 2.554 19.089 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.533 1.104 21.611 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.906 0.428 21.874 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.726 2.193 22.013 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.356 1.478 20.510 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.389 -0.869 20.372 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.839 0.184 19.009 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.126 -0.029 19.441 1.00 0.00 H new ATOM 312 N ILE A 23 -6.270 4.460 20.486 1.00 0.00 N ATOM 313 CA ILE A 23 -6.684 5.655 21.274 1.00 0.00 C ATOM 314 C ILE A 23 -7.875 5.292 22.164 1.00 0.00 C ATOM 315 O ILE A 23 -8.916 4.886 21.687 1.00 0.00 O ATOM 316 CB ILE A 23 -7.084 6.782 20.320 1.00 0.00 C ATOM 317 CG1 ILE A 23 -5.892 7.142 19.430 1.00 0.00 C ATOM 318 CG2 ILE A 23 -7.505 8.010 21.128 1.00 0.00 C ATOM 319 CD1 ILE A 23 -6.349 8.103 18.329 1.00 0.00 C ATOM 0 H ILE A 23 -6.826 4.276 19.651 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.853 5.985 21.897 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.917 6.454 19.699 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.105 7.603 20.027 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.469 6.240 18.988 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.790 8.813 20.448 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.353 7.754 21.763 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.672 8.339 21.750 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.500 8.360 17.695 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.121 7.625 17.726 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.751 9.009 18.781 1.00 0.00 H new ATOM 331 N ARG A 24 -7.729 5.435 23.452 1.00 0.00 N ATOM 332 CA ARG A 24 -8.855 5.103 24.370 1.00 0.00 C ATOM 333 C ARG A 24 -10.076 5.952 24.007 1.00 0.00 C ATOM 334 O ARG A 24 -10.130 7.131 24.293 1.00 0.00 O ATOM 335 CB ARG A 24 -8.441 5.397 25.813 1.00 0.00 C ATOM 336 CG ARG A 24 -9.604 5.081 26.754 1.00 0.00 C ATOM 337 CD ARG A 24 -9.262 3.848 27.594 1.00 0.00 C ATOM 338 NE ARG A 24 -7.917 4.026 28.212 1.00 0.00 N ATOM 339 CZ ARG A 24 -7.556 3.273 29.214 1.00 0.00 C ATOM 340 NH1 ARG A 24 -8.369 2.360 29.669 1.00 0.00 N ATOM 341 NH2 ARG A 24 -6.381 3.433 29.760 1.00 0.00 N ATOM 0 H ARG A 24 -6.880 5.767 23.909 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.104 4.046 24.272 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.570 4.799 26.081 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.153 6.443 25.913 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.801 5.933 27.404 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.512 4.902 26.179 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.014 3.703 28.369 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.272 2.955 26.969 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.280 4.736 27.852 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.287 2.235 29.241 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.087 1.771 30.453 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.746 4.147 29.403 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.098 2.844 30.544 1.00 0.00 H new ATOM 355 N LYS A 25 -11.055 5.360 23.380 1.00 0.00 N ATOM 356 CA LYS A 25 -12.267 6.135 22.991 1.00 0.00 C ATOM 357 C LYS A 25 -13.387 5.873 24.000 1.00 0.00 C ATOM 358 O LYS A 25 -14.421 6.509 23.973 1.00 0.00 O ATOM 359 CB LYS A 25 -12.724 5.701 21.596 1.00 0.00 C ATOM 360 CG LYS A 25 -13.037 4.204 21.605 1.00 0.00 C ATOM 361 CD LYS A 25 -13.667 3.805 20.269 1.00 0.00 C ATOM 362 CE LYS A 25 -13.940 2.300 20.261 1.00 0.00 C ATOM 363 NZ LYS A 25 -14.619 1.926 18.989 1.00 0.00 N ATOM 0 H LYS A 25 -11.068 4.374 23.120 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.030 7.199 22.981 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.607 6.266 21.299 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.946 5.916 20.863 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.125 3.632 21.774 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.717 3.969 22.424 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.596 4.354 20.115 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.001 4.069 19.448 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.005 1.749 20.362 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.564 2.028 21.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.805 0.903 18.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.519 2.442 18.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.008 2.172 18.184 1.00 0.00 H new ATOM 377 N SER A 26 -13.188 4.939 24.890 1.00 0.00 N ATOM 378 CA SER A 26 -14.259 4.605 25.870 1.00 0.00 C ATOM 379 C SER A 26 -14.105 5.481 27.114 1.00 0.00 C ATOM 380 O SER A 26 -13.038 5.582 27.686 1.00 0.00 O ATOM 381 CB SER A 26 -14.145 3.132 26.266 1.00 0.00 C ATOM 382 OG SER A 26 -15.143 2.828 27.232 1.00 0.00 O ATOM 0 H SER A 26 -12.331 4.394 24.980 1.00 0.00 H new ATOM 0 HA SER A 26 -15.234 4.786 25.418 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.266 2.497 25.388 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.154 2.928 26.673 1.00 0.00 H new ATOM 0 HG SER A 26 -15.075 1.884 27.487 1.00 0.00 H new ATOM 388 N GLY A 27 -15.164 6.118 27.538 1.00 0.00 N ATOM 389 CA GLY A 27 -15.086 6.957 28.767 1.00 0.00 C ATOM 390 C GLY A 27 -14.982 8.431 28.374 1.00 0.00 C ATOM 391 O GLY A 27 -14.522 8.766 27.299 1.00 0.00 O ATOM 0 H GLY A 27 -16.078 6.093 27.086 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.969 6.796 29.386 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.221 6.667 29.364 1.00 0.00 H new ATOM 395 N LEU A 28 -15.407 9.316 29.233 1.00 0.00 N ATOM 396 CA LEU A 28 -15.332 10.768 28.906 1.00 0.00 C ATOM 397 C LEU A 28 -13.867 11.184 28.761 1.00 0.00 C ATOM 398 O LEU A 28 -13.517 11.970 27.903 1.00 0.00 O ATOM 399 CB LEU A 28 -15.983 11.578 30.029 1.00 0.00 C ATOM 400 CG LEU A 28 -15.916 13.068 29.691 1.00 0.00 C ATOM 401 CD1 LEU A 28 -14.497 13.583 29.928 1.00 0.00 C ATOM 402 CD2 LEU A 28 -16.292 13.272 28.221 1.00 0.00 C ATOM 0 H LEU A 28 -15.803 9.097 30.147 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.857 10.957 27.970 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -17.021 11.270 30.159 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.473 11.385 30.973 1.00 0.00 H new ATOM 0 HG LEU A 28 -16.611 13.616 30.326 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.450 14.645 29.687 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.227 13.436 30.974 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.800 13.036 29.293 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -16.245 14.333 27.977 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.595 12.723 27.588 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -17.304 12.905 28.050 1.00 0.00 H new ATOM 414 N SER A 29 -13.008 10.662 29.592 1.00 0.00 N ATOM 415 CA SER A 29 -11.566 11.027 29.500 1.00 0.00 C ATOM 416 C SER A 29 -11.018 10.600 28.137 1.00 0.00 C ATOM 417 O SER A 29 -9.836 10.371 27.977 1.00 0.00 O ATOM 418 CB SER A 29 -10.788 10.317 30.608 1.00 0.00 C ATOM 419 OG SER A 29 -11.257 8.980 30.727 1.00 0.00 O ATOM 0 H SER A 29 -13.242 9.999 30.331 1.00 0.00 H new ATOM 0 HA SER A 29 -11.456 12.105 29.614 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.722 10.322 30.381 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.915 10.845 31.553 1.00 0.00 H new ATOM 0 HG SER A 29 -10.759 8.521 31.435 1.00 0.00 H new ATOM 425 N ALA A 30 -11.868 10.490 27.153 1.00 0.00 N ATOM 426 CA ALA A 30 -11.396 10.072 25.803 1.00 0.00 C ATOM 427 C ALA A 30 -10.227 10.962 25.375 1.00 0.00 C ATOM 428 O ALA A 30 -10.206 12.146 25.639 1.00 0.00 O ATOM 429 CB ALA A 30 -12.540 10.211 24.797 1.00 0.00 C ATOM 0 H ALA A 30 -12.869 10.672 27.226 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.068 9.033 25.837 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.195 9.905 23.809 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.372 9.577 25.103 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.869 11.250 24.761 1.00 0.00 H new ATOM 435 N GLY A 31 -9.253 10.398 24.713 1.00 0.00 N ATOM 436 CA GLY A 31 -8.076 11.208 24.286 1.00 0.00 C ATOM 437 C GLY A 31 -6.789 10.510 24.727 1.00 0.00 C ATOM 438 O GLY A 31 -5.733 10.720 24.163 1.00 0.00 O ATOM 0 H GLY A 31 -9.221 9.413 24.450 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.081 11.334 23.203 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.130 12.205 24.723 1.00 0.00 H new ATOM 442 N LYS A 32 -6.866 9.683 25.733 1.00 0.00 N ATOM 443 CA LYS A 32 -5.653 8.942 26.183 1.00 0.00 C ATOM 444 C LYS A 32 -5.362 7.801 25.207 1.00 0.00 C ATOM 445 O LYS A 32 -6.254 7.106 24.765 1.00 0.00 O ATOM 446 CB LYS A 32 -5.896 8.369 27.581 1.00 0.00 C ATOM 447 CG LYS A 32 -4.612 7.712 28.093 1.00 0.00 C ATOM 448 CD LYS A 32 -4.802 7.287 29.550 1.00 0.00 C ATOM 449 CE LYS A 32 -3.502 6.676 30.076 1.00 0.00 C ATOM 450 NZ LYS A 32 -3.655 6.354 31.524 1.00 0.00 N ATOM 0 H LYS A 32 -7.716 9.488 26.263 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.801 9.621 26.212 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.208 9.161 28.261 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.704 7.638 27.551 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.365 6.846 27.480 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.777 8.408 28.012 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.084 8.147 30.157 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.614 6.563 29.626 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.259 5.773 29.515 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.676 7.373 29.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.772 5.939 31.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.868 7.224 32.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.432 5.675 31.648 1.00 0.00 H new ATOM 464 N SER A 33 -4.117 7.603 24.867 1.00 0.00 N ATOM 465 CA SER A 33 -3.778 6.559 23.859 1.00 0.00 C ATOM 466 C SER A 33 -2.573 5.751 24.347 1.00 0.00 C ATOM 467 O SER A 33 -1.784 6.217 25.145 1.00 0.00 O ATOM 468 CB SER A 33 -3.438 7.227 22.527 1.00 0.00 C ATOM 469 OG SER A 33 -2.381 8.158 22.725 1.00 0.00 O ATOM 0 H SER A 33 -3.321 8.118 25.243 1.00 0.00 H new ATOM 0 HA SER A 33 -4.631 5.894 23.724 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.144 6.475 21.795 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.316 7.735 22.127 1.00 0.00 H new ATOM 0 HG SER A 33 -2.369 8.801 21.986 1.00 0.00 H new ATOM 475 N ASP A 34 -2.425 4.545 23.872 1.00 0.00 N ATOM 476 CA ASP A 34 -1.256 3.720 24.286 1.00 0.00 C ATOM 477 C ASP A 34 -0.581 3.134 23.044 1.00 0.00 C ATOM 478 O ASP A 34 -1.209 2.920 22.027 1.00 0.00 O ATOM 479 CB ASP A 34 -1.729 2.582 25.194 1.00 0.00 C ATOM 480 CG ASP A 34 -2.114 3.146 26.563 1.00 0.00 C ATOM 481 OD1 ASP A 34 -1.869 4.320 26.788 1.00 0.00 O ATOM 482 OD2 ASP A 34 -2.646 2.395 27.363 1.00 0.00 O ATOM 0 H ASP A 34 -3.063 4.096 23.215 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.545 4.344 24.827 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.583 2.075 24.745 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.939 1.839 25.304 1.00 0.00 H new ATOM 487 N VAL A 35 0.696 2.875 23.119 1.00 0.00 N ATOM 488 CA VAL A 35 1.415 2.327 21.933 1.00 0.00 C ATOM 489 C VAL A 35 1.843 0.886 22.215 1.00 0.00 C ATOM 490 O VAL A 35 2.406 0.586 23.249 1.00 0.00 O ATOM 491 CB VAL A 35 2.653 3.180 21.649 1.00 0.00 C ATOM 492 CG1 VAL A 35 3.510 2.497 20.583 1.00 0.00 C ATOM 493 CG2 VAL A 35 2.217 4.557 21.145 1.00 0.00 C ATOM 0 H VAL A 35 1.272 3.019 23.948 1.00 0.00 H new ATOM 0 HA VAL A 35 0.753 2.346 21.067 1.00 0.00 H new ATOM 0 HB VAL A 35 3.234 3.293 22.564 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.392 3.105 20.381 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.820 1.515 20.940 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.930 2.384 19.667 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.098 5.166 20.942 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.637 4.442 20.230 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.605 5.045 21.904 1.00 0.00 H new ATOM 503 N TYR A 36 1.580 -0.010 21.303 1.00 0.00 N ATOM 504 CA TYR A 36 1.974 -1.431 21.518 1.00 0.00 C ATOM 505 C TYR A 36 3.024 -1.830 20.480 1.00 0.00 C ATOM 506 O TYR A 36 3.049 -1.317 19.379 1.00 0.00 O ATOM 507 CB TYR A 36 0.744 -2.329 21.372 1.00 0.00 C ATOM 508 CG TYR A 36 -0.283 -1.954 22.414 1.00 0.00 C ATOM 509 CD1 TYR A 36 -0.035 -2.219 23.766 1.00 0.00 C ATOM 510 CD2 TYR A 36 -1.480 -1.340 22.028 1.00 0.00 C ATOM 511 CE1 TYR A 36 -0.986 -1.871 24.733 1.00 0.00 C ATOM 512 CE2 TYR A 36 -2.432 -0.993 22.995 1.00 0.00 C ATOM 513 CZ TYR A 36 -2.184 -1.258 24.347 1.00 0.00 C ATOM 514 OH TYR A 36 -3.122 -0.915 25.300 1.00 0.00 O ATOM 0 H TYR A 36 1.109 0.181 20.418 1.00 0.00 H new ATOM 0 HA TYR A 36 2.390 -1.546 22.519 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.320 -2.222 20.374 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.029 -3.375 21.487 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.890 -2.692 24.063 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.670 -1.134 20.985 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.795 -2.075 25.776 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.357 -0.521 22.698 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.894 -0.498 24.864 1.00 0.00 H new ATOM 524 N TYR A 37 3.892 -2.743 20.822 1.00 0.00 N ATOM 525 CA TYR A 37 4.936 -3.178 19.851 1.00 0.00 C ATOM 526 C TYR A 37 4.874 -4.698 19.684 1.00 0.00 C ATOM 527 O TYR A 37 4.692 -5.430 20.636 1.00 0.00 O ATOM 528 CB TYR A 37 6.317 -2.778 20.374 1.00 0.00 C ATOM 529 CG TYR A 37 6.523 -1.297 20.167 1.00 0.00 C ATOM 530 CD1 TYR A 37 7.055 -0.825 18.961 1.00 0.00 C ATOM 531 CD2 TYR A 37 6.182 -0.394 21.182 1.00 0.00 C ATOM 532 CE1 TYR A 37 7.247 0.548 18.771 1.00 0.00 C ATOM 533 CE2 TYR A 37 6.374 0.980 20.991 1.00 0.00 C ATOM 534 CZ TYR A 37 6.906 1.451 19.785 1.00 0.00 C ATOM 535 OH TYR A 37 7.095 2.805 19.597 1.00 0.00 O ATOM 0 H TYR A 37 3.923 -3.206 21.730 1.00 0.00 H new ATOM 0 HA TYR A 37 4.760 -2.699 18.888 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.402 -3.024 21.433 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.092 -3.340 19.853 1.00 0.00 H new ATOM 0 HD1 TYR A 37 7.317 -1.521 18.177 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.771 -0.757 22.112 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.659 0.911 17.841 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.112 1.676 21.774 1.00 0.00 H new ATOM 0 HH TYR A 37 8.054 2.996 19.535 1.00 0.00 H new ATOM 545 N PHE A 38 5.023 -5.178 18.479 1.00 0.00 N ATOM 546 CA PHE A 38 4.988 -6.650 18.254 1.00 0.00 C ATOM 547 C PHE A 38 6.294 -7.098 17.597 1.00 0.00 C ATOM 548 O PHE A 38 6.794 -6.462 16.690 1.00 0.00 O ATOM 549 CB PHE A 38 3.811 -6.998 17.339 1.00 0.00 C ATOM 550 CG PHE A 38 2.550 -6.366 17.877 1.00 0.00 C ATOM 551 CD1 PHE A 38 2.210 -5.059 17.509 1.00 0.00 C ATOM 552 CD2 PHE A 38 1.721 -7.087 18.746 1.00 0.00 C ATOM 553 CE1 PHE A 38 1.040 -4.473 18.008 1.00 0.00 C ATOM 554 CE2 PHE A 38 0.552 -6.501 19.246 1.00 0.00 C ATOM 555 CZ PHE A 38 0.212 -5.194 18.876 1.00 0.00 C ATOM 0 H PHE A 38 5.167 -4.614 17.641 1.00 0.00 H new ATOM 0 HA PHE A 38 4.869 -7.160 19.210 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.006 -6.642 16.327 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.691 -8.080 17.279 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.850 -4.502 16.840 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.984 -8.095 19.030 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.777 -3.465 17.723 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.087 -7.056 19.916 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.690 -4.742 19.261 1.00 0.00 H new ATOM 565 N SER A 39 6.852 -8.189 18.045 1.00 0.00 N ATOM 566 CA SER A 39 8.122 -8.680 17.441 1.00 0.00 C ATOM 567 C SER A 39 7.826 -9.877 16.536 1.00 0.00 C ATOM 568 O SER A 39 6.725 -10.389 16.511 1.00 0.00 O ATOM 569 CB SER A 39 9.083 -9.105 18.550 1.00 0.00 C ATOM 570 OG SER A 39 8.969 -10.506 18.761 1.00 0.00 O ATOM 0 H SER A 39 6.483 -8.762 18.804 1.00 0.00 H new ATOM 0 HA SER A 39 8.577 -7.883 16.853 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.107 -8.849 18.277 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.855 -8.568 19.470 1.00 0.00 H new ATOM 0 HG SER A 39 9.681 -10.805 19.365 1.00 0.00 H new ATOM 576 N PRO A 40 8.809 -10.316 15.799 1.00 0.00 N ATOM 577 CA PRO A 40 8.668 -11.475 14.872 1.00 0.00 C ATOM 578 C PRO A 40 8.236 -12.751 15.601 1.00 0.00 C ATOM 579 O PRO A 40 7.676 -13.654 15.012 1.00 0.00 O ATOM 580 CB PRO A 40 10.070 -11.642 14.285 1.00 0.00 C ATOM 581 CG PRO A 40 10.746 -10.327 14.492 1.00 0.00 C ATOM 582 CD PRO A 40 10.167 -9.753 15.771 1.00 0.00 C ATOM 0 HA PRO A 40 7.899 -11.301 14.119 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.612 -12.445 14.784 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.025 -11.898 13.226 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.826 -10.453 14.575 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.567 -9.660 13.649 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.746 -10.051 16.645 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.152 -8.663 15.754 1.00 0.00 H new ATOM 590 N SER A 41 8.492 -12.832 16.878 1.00 0.00 N ATOM 591 CA SER A 41 8.086 -14.044 17.643 1.00 0.00 C ATOM 592 C SER A 41 6.569 -14.042 17.837 1.00 0.00 C ATOM 593 O SER A 41 6.004 -14.956 18.404 1.00 0.00 O ATOM 594 CB SER A 41 8.775 -14.039 19.008 1.00 0.00 C ATOM 595 OG SER A 41 8.372 -12.884 19.732 1.00 0.00 O ATOM 0 H SER A 41 8.964 -12.112 17.424 1.00 0.00 H new ATOM 0 HA SER A 41 8.379 -14.937 17.091 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.514 -14.940 19.563 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.858 -14.044 18.882 1.00 0.00 H new ATOM 0 HG SER A 41 8.412 -12.100 19.146 1.00 0.00 H new ATOM 601 N GLY A 42 5.904 -13.019 17.370 1.00 0.00 N ATOM 602 CA GLY A 42 4.423 -12.963 17.522 1.00 0.00 C ATOM 603 C GLY A 42 4.068 -12.654 18.977 1.00 0.00 C ATOM 604 O GLY A 42 2.911 -12.570 19.339 1.00 0.00 O ATOM 0 H GLY A 42 6.322 -12.222 16.891 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.009 -12.198 16.866 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.980 -13.913 17.223 1.00 0.00 H new ATOM 608 N LYS A 43 5.054 -12.487 19.815 1.00 0.00 N ATOM 609 CA LYS A 43 4.772 -12.187 21.246 1.00 0.00 C ATOM 610 C LYS A 43 4.292 -10.740 21.381 1.00 0.00 C ATOM 611 O LYS A 43 4.764 -9.853 20.696 1.00 0.00 O ATOM 612 CB LYS A 43 6.049 -12.378 22.069 1.00 0.00 C ATOM 613 CG LYS A 43 5.714 -12.294 23.559 1.00 0.00 C ATOM 614 CD LYS A 43 6.806 -12.997 24.368 1.00 0.00 C ATOM 615 CE LYS A 43 8.055 -12.116 24.415 1.00 0.00 C ATOM 616 NZ LYS A 43 9.049 -12.713 25.352 1.00 0.00 N ATOM 0 H LYS A 43 6.042 -12.545 19.570 1.00 0.00 H new ATOM 0 HA LYS A 43 3.998 -12.862 21.612 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.500 -13.344 21.841 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.781 -11.614 21.806 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.633 -11.251 23.866 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.747 -12.759 23.752 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.452 -13.198 25.379 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.044 -13.960 23.917 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.487 -12.026 23.418 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.791 -11.110 24.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.899 -12.114 25.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.634 -12.777 26.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.309 -13.665 25.023 1.00 0.00 H new ATOM 630 N LYS A 44 3.358 -10.494 22.258 1.00 0.00 N ATOM 631 CA LYS A 44 2.833 -9.109 22.419 1.00 0.00 C ATOM 632 C LYS A 44 3.643 -8.378 23.490 1.00 0.00 C ATOM 633 O LYS A 44 3.978 -8.935 24.516 1.00 0.00 O ATOM 634 CB LYS A 44 1.364 -9.166 22.842 1.00 0.00 C ATOM 635 CG LYS A 44 0.805 -7.745 22.942 1.00 0.00 C ATOM 636 CD LYS A 44 -0.661 -7.802 23.376 1.00 0.00 C ATOM 637 CE LYS A 44 -1.563 -7.684 22.146 1.00 0.00 C ATOM 638 NZ LYS A 44 -1.187 -8.727 21.152 1.00 0.00 N ATOM 0 H LYS A 44 2.936 -11.192 22.870 1.00 0.00 H new ATOM 0 HA LYS A 44 2.918 -8.576 21.472 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.789 -9.744 22.119 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.271 -9.673 23.802 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.385 -7.164 23.659 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.891 -7.241 21.980 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.861 -8.738 23.898 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.876 -6.995 24.076 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.607 -7.802 22.435 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.465 -6.693 21.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.873 -8.725 20.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.237 -8.525 20.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.188 -9.660 21.611 1.00 0.00 H new ATOM 652 N PHE A 45 3.963 -7.133 23.261 1.00 0.00 N ATOM 653 CA PHE A 45 4.738 -6.364 24.275 1.00 0.00 C ATOM 654 C PHE A 45 3.963 -5.102 24.661 1.00 0.00 C ATOM 655 O PHE A 45 3.169 -4.591 23.896 1.00 0.00 O ATOM 656 CB PHE A 45 6.094 -5.969 23.687 1.00 0.00 C ATOM 657 CG PHE A 45 6.811 -7.204 23.199 1.00 0.00 C ATOM 658 CD1 PHE A 45 6.520 -7.728 21.933 1.00 0.00 C ATOM 659 CD2 PHE A 45 7.768 -7.826 24.010 1.00 0.00 C ATOM 660 CE1 PHE A 45 7.185 -8.874 21.480 1.00 0.00 C ATOM 661 CE2 PHE A 45 8.432 -8.971 23.557 1.00 0.00 C ATOM 662 CZ PHE A 45 8.141 -9.495 22.292 1.00 0.00 C ATOM 0 H PHE A 45 3.721 -6.616 22.416 1.00 0.00 H new ATOM 0 HA PHE A 45 4.891 -6.981 25.160 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.955 -5.268 22.864 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.695 -5.461 24.441 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.783 -7.248 21.306 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.994 -7.422 24.986 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.960 -9.279 20.504 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.169 -9.451 24.183 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.654 -10.379 21.943 1.00 0.00 H new ATOM 672 N ARG A 46 4.187 -4.596 25.842 1.00 0.00 N ATOM 673 CA ARG A 46 3.473 -3.361 26.273 1.00 0.00 C ATOM 674 C ARG A 46 4.442 -2.448 27.026 1.00 0.00 C ATOM 675 O ARG A 46 4.904 -2.771 28.103 1.00 0.00 O ATOM 676 CB ARG A 46 2.309 -3.738 27.191 1.00 0.00 C ATOM 677 CG ARG A 46 1.403 -4.745 26.480 1.00 0.00 C ATOM 678 CD ARG A 46 0.067 -4.842 27.220 1.00 0.00 C ATOM 679 NE ARG A 46 0.298 -5.363 28.596 1.00 0.00 N ATOM 680 CZ ARG A 46 -0.641 -5.266 29.497 1.00 0.00 C ATOM 681 NH1 ARG A 46 -1.783 -4.713 29.191 1.00 0.00 N ATOM 682 NH2 ARG A 46 -0.438 -5.721 30.703 1.00 0.00 N ATOM 0 H ARG A 46 4.834 -4.985 26.528 1.00 0.00 H new ATOM 0 HA ARG A 46 3.089 -2.839 25.396 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.688 -4.166 28.119 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.740 -2.848 27.459 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.237 -4.436 25.448 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.884 -5.723 26.447 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.408 -3.862 27.266 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.613 -5.501 26.680 1.00 0.00 H new ATOM 0 HE ARG A 46 1.190 -5.796 28.834 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.941 -4.357 28.248 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.518 -4.637 29.895 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.455 -6.153 30.942 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.172 -5.645 31.407 1.00 0.00 H new ATOM 696 N SER A 47 4.754 -1.310 26.469 1.00 0.00 N ATOM 697 CA SER A 47 5.633 -0.345 27.187 1.00 0.00 C ATOM 698 C SER A 47 7.088 -0.572 26.769 1.00 0.00 C ATOM 699 O SER A 47 7.467 -1.654 26.368 1.00 0.00 O ATOM 700 CB SER A 47 5.497 -0.556 28.695 1.00 0.00 C ATOM 701 OG SER A 47 6.402 -1.569 29.111 1.00 0.00 O ATOM 0 H SER A 47 4.438 -1.007 25.548 1.00 0.00 H new ATOM 0 HA SER A 47 5.337 0.673 26.935 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.706 0.374 29.224 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.475 -0.841 28.943 1.00 0.00 H new ATOM 0 HG SER A 47 6.103 -2.436 28.766 1.00 0.00 H new ATOM 707 N LYS A 48 7.906 0.441 26.861 1.00 0.00 N ATOM 708 CA LYS A 48 9.327 0.293 26.436 1.00 0.00 C ATOM 709 C LYS A 48 10.009 -0.770 27.300 1.00 0.00 C ATOM 710 O LYS A 48 10.741 -1.606 26.807 1.00 0.00 O ATOM 711 CB LYS A 48 10.050 1.630 26.605 1.00 0.00 C ATOM 712 CG LYS A 48 11.559 1.388 26.673 1.00 0.00 C ATOM 713 CD LYS A 48 12.299 2.651 26.223 1.00 0.00 C ATOM 714 CE LYS A 48 13.773 2.547 26.616 1.00 0.00 C ATOM 715 NZ LYS A 48 14.578 3.473 25.771 1.00 0.00 N ATOM 0 H LYS A 48 7.652 1.364 27.212 1.00 0.00 H new ATOM 0 HA LYS A 48 9.365 -0.011 25.390 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.814 2.291 25.771 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.709 2.128 27.513 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.851 1.126 27.690 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.832 0.547 26.036 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.207 2.774 25.144 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.850 3.531 26.683 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.898 2.797 27.670 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.123 1.523 26.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.567 3.466 26.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.535 3.164 24.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.195 4.437 25.850 1.00 0.00 H new ATOM 729 N PRO A 49 9.769 -0.733 28.581 1.00 0.00 N ATOM 730 CA PRO A 49 10.349 -1.714 29.542 1.00 0.00 C ATOM 731 C PRO A 49 10.176 -3.161 29.070 1.00 0.00 C ATOM 732 O PRO A 49 11.052 -3.987 29.236 1.00 0.00 O ATOM 733 CB PRO A 49 9.558 -1.474 30.829 1.00 0.00 C ATOM 734 CG PRO A 49 9.080 -0.062 30.744 1.00 0.00 C ATOM 735 CD PRO A 49 8.914 0.256 29.256 1.00 0.00 C ATOM 0 HA PRO A 49 11.424 -1.577 29.659 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.721 -2.168 30.911 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.184 -1.624 31.709 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.135 0.059 31.274 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.795 0.617 31.208 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.874 0.164 28.942 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.227 1.275 29.029 1.00 0.00 H new ATOM 743 N GLN A 50 9.053 -3.474 28.484 1.00 0.00 N ATOM 744 CA GLN A 50 8.825 -4.867 28.004 1.00 0.00 C ATOM 745 C GLN A 50 9.685 -5.129 26.766 1.00 0.00 C ATOM 746 O GLN A 50 10.406 -6.105 26.695 1.00 0.00 O ATOM 747 CB GLN A 50 7.349 -5.047 27.646 1.00 0.00 C ATOM 748 CG GLN A 50 7.006 -6.539 27.633 1.00 0.00 C ATOM 749 CD GLN A 50 6.814 -7.032 29.068 1.00 0.00 C ATOM 750 OE1 GLN A 50 6.313 -6.311 29.908 1.00 0.00 O ATOM 751 NE2 GLN A 50 7.193 -8.239 29.386 1.00 0.00 N ATOM 0 H GLN A 50 8.283 -2.826 28.317 1.00 0.00 H new ATOM 0 HA GLN A 50 9.098 -5.571 28.790 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.722 -4.525 28.369 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.144 -4.607 26.670 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.098 -6.709 27.054 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.803 -7.102 27.148 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.614 -8.844 28.681 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.069 -8.578 30.340 1.00 0.00 H new ATOM 760 N LEU A 51 9.614 -4.267 25.789 1.00 0.00 N ATOM 761 CA LEU A 51 10.446 -4.455 24.566 1.00 0.00 C ATOM 762 C LEU A 51 11.927 -4.357 24.936 1.00 0.00 C ATOM 763 O LEU A 51 12.743 -5.134 24.482 1.00 0.00 O ATOM 764 CB LEU A 51 10.100 -3.371 23.544 1.00 0.00 C ATOM 765 CG LEU A 51 11.095 -3.429 22.383 1.00 0.00 C ATOM 766 CD1 LEU A 51 11.041 -4.813 21.733 1.00 0.00 C ATOM 767 CD2 LEU A 51 10.728 -2.365 21.346 1.00 0.00 C ATOM 0 H LEU A 51 9.016 -3.441 25.784 1.00 0.00 H new ATOM 0 HA LEU A 51 10.245 -5.436 24.136 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.085 -3.515 23.175 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.131 -2.389 24.015 1.00 0.00 H new ATOM 0 HG LEU A 51 12.102 -3.242 22.757 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.750 -4.854 20.906 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.300 -5.572 22.471 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.035 -5.000 21.358 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.436 -2.405 20.518 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.721 -2.553 20.972 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.765 -1.378 21.808 1.00 0.00 H new ATOM 779 N ALA A 52 12.283 -3.405 25.755 1.00 0.00 N ATOM 780 CA ALA A 52 13.713 -3.249 26.141 1.00 0.00 C ATOM 781 C ALA A 52 14.256 -4.586 26.652 1.00 0.00 C ATOM 782 O ALA A 52 15.306 -5.037 26.244 1.00 0.00 O ATOM 783 CB ALA A 52 13.831 -2.197 27.246 1.00 0.00 C ATOM 0 H ALA A 52 11.644 -2.729 26.173 1.00 0.00 H new ATOM 0 HA ALA A 52 14.289 -2.932 25.272 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.877 -2.082 27.529 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.447 -1.244 26.883 1.00 0.00 H new ATOM 0 HB3 ALA A 52 13.253 -2.515 28.114 1.00 0.00 H new ATOM 789 N ARG A 53 13.546 -5.221 27.545 1.00 0.00 N ATOM 790 CA ARG A 53 14.025 -6.522 28.090 1.00 0.00 C ATOM 791 C ARG A 53 14.118 -7.549 26.959 1.00 0.00 C ATOM 792 O ARG A 53 15.007 -8.378 26.932 1.00 0.00 O ATOM 793 CB ARG A 53 13.046 -7.020 29.154 1.00 0.00 C ATOM 794 CG ARG A 53 13.162 -6.142 30.401 1.00 0.00 C ATOM 795 CD ARG A 53 12.590 -6.889 31.607 1.00 0.00 C ATOM 796 NE ARG A 53 11.299 -7.528 31.228 1.00 0.00 N ATOM 797 CZ ARG A 53 10.277 -6.787 30.898 1.00 0.00 C ATOM 798 NH1 ARG A 53 10.388 -5.487 30.893 1.00 0.00 N ATOM 799 NH2 ARG A 53 9.144 -7.346 30.570 1.00 0.00 N ATOM 0 H ARG A 53 12.655 -4.895 27.920 1.00 0.00 H new ATOM 0 HA ARG A 53 15.010 -6.387 28.537 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.027 -6.991 28.769 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.262 -8.058 29.405 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.206 -5.884 30.581 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.624 -5.206 30.251 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.296 -7.646 31.948 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.437 -6.199 32.437 1.00 0.00 H new ATOM 0 HE ARG A 53 11.214 -8.544 31.226 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.274 -5.050 31.147 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.589 -4.908 30.635 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.057 -8.362 30.572 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.345 -6.767 30.312 1.00 0.00 H new ATOM 813 N TYR A 54 13.206 -7.504 26.026 1.00 0.00 N ATOM 814 CA TYR A 54 13.237 -8.487 24.908 1.00 0.00 C ATOM 815 C TYR A 54 14.500 -8.271 24.072 1.00 0.00 C ATOM 816 O TYR A 54 15.247 -9.192 23.807 1.00 0.00 O ATOM 817 CB TYR A 54 12.002 -8.296 24.025 1.00 0.00 C ATOM 818 CG TYR A 54 11.986 -9.353 22.946 1.00 0.00 C ATOM 819 CD1 TYR A 54 11.602 -10.663 23.257 1.00 0.00 C ATOM 820 CD2 TYR A 54 12.357 -9.023 21.637 1.00 0.00 C ATOM 821 CE1 TYR A 54 11.586 -11.643 22.256 1.00 0.00 C ATOM 822 CE2 TYR A 54 12.341 -10.002 20.637 1.00 0.00 C ATOM 823 CZ TYR A 54 11.955 -11.313 20.946 1.00 0.00 C ATOM 824 OH TYR A 54 11.940 -12.278 19.961 1.00 0.00 O ATOM 0 H TYR A 54 12.442 -6.829 25.990 1.00 0.00 H new ATOM 0 HA TYR A 54 13.240 -9.498 25.315 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.097 -8.363 24.628 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.013 -7.303 23.576 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.318 -10.918 24.267 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.656 -8.013 21.399 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.289 -12.654 22.495 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.626 -9.747 19.627 1.00 0.00 H new ATOM 0 HH TYR A 54 12.222 -11.882 19.110 1.00 0.00 H new ATOM 834 N LEU A 55 14.745 -7.060 23.652 1.00 0.00 N ATOM 835 CA LEU A 55 15.953 -6.788 22.823 1.00 0.00 C ATOM 836 C LEU A 55 17.212 -7.075 23.644 1.00 0.00 C ATOM 837 O LEU A 55 18.257 -7.385 23.106 1.00 0.00 O ATOM 838 CB LEU A 55 15.952 -5.320 22.388 1.00 0.00 C ATOM 839 CG LEU A 55 15.747 -5.238 20.875 1.00 0.00 C ATOM 840 CD1 LEU A 55 14.407 -5.875 20.505 1.00 0.00 C ATOM 841 CD2 LEU A 55 15.750 -3.770 20.441 1.00 0.00 C ATOM 0 H LEU A 55 14.161 -6.247 23.847 1.00 0.00 H new ATOM 0 HA LEU A 55 15.941 -7.429 21.942 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.159 -4.777 22.903 1.00 0.00 H new ATOM 0 HB3 LEU A 55 16.894 -4.847 22.664 1.00 0.00 H new ATOM 0 HG LEU A 55 16.553 -5.770 20.370 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.262 -5.816 19.426 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.403 -6.920 20.815 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.600 -5.344 21.009 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.604 -3.709 19.363 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.943 -3.239 20.947 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.705 -3.315 20.704 1.00 0.00 H new ATOM 853 N GLY A 56 17.122 -6.976 24.942 1.00 0.00 N ATOM 854 CA GLY A 56 18.315 -7.252 25.793 1.00 0.00 C ATOM 855 C GLY A 56 19.386 -6.191 25.534 1.00 0.00 C ATOM 856 O GLY A 56 19.097 -5.015 25.434 1.00 0.00 O ATOM 0 H GLY A 56 16.276 -6.717 25.450 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.032 -7.248 26.846 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.710 -8.244 25.572 1.00 0.00 H new ATOM 860 N ASN A 57 20.621 -6.596 25.424 1.00 0.00 N ATOM 861 CA ASN A 57 21.709 -5.610 25.171 1.00 0.00 C ATOM 862 C ASN A 57 22.197 -5.747 23.727 1.00 0.00 C ATOM 863 O ASN A 57 23.367 -5.593 23.439 1.00 0.00 O ATOM 864 CB ASN A 57 22.872 -5.876 26.128 1.00 0.00 C ATOM 865 CG ASN A 57 23.745 -4.624 26.233 1.00 0.00 C ATOM 866 OD1 ASN A 57 24.810 -4.562 25.650 1.00 0.00 O ATOM 867 ND2 ASN A 57 23.337 -3.617 26.954 1.00 0.00 N ATOM 0 H ASN A 57 20.924 -7.567 25.498 1.00 0.00 H new ATOM 0 HA ASN A 57 21.328 -4.601 25.332 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.491 -6.150 27.112 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.466 -6.717 25.770 1.00 0.00 H new ATOM 0 HD21 ASN A 57 23.911 -2.777 27.029 1.00 0.00 H new ATOM 0 HD22 ASN A 57 22.443 -3.669 27.443 1.00 0.00 H new ATOM 874 N ALA A 58 21.309 -6.038 22.816 1.00 0.00 N ATOM 875 CA ALA A 58 21.723 -6.189 21.393 1.00 0.00 C ATOM 876 C ALA A 58 21.542 -4.856 20.665 1.00 0.00 C ATOM 877 O ALA A 58 22.157 -4.605 19.648 1.00 0.00 O ATOM 878 CB ALA A 58 20.861 -7.260 20.721 1.00 0.00 C ATOM 0 H ALA A 58 20.315 -6.178 22.996 1.00 0.00 H new ATOM 0 HA ALA A 58 22.771 -6.487 21.349 1.00 0.00 H new ATOM 0 HB1 ALA A 58 21.164 -7.370 19.680 1.00 0.00 H new ATOM 0 HB2 ALA A 58 20.991 -8.210 21.239 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.813 -6.964 20.764 1.00 0.00 H new ATOM 884 N VAL A 59 20.701 -3.999 21.176 1.00 0.00 N ATOM 885 CA VAL A 59 20.482 -2.683 20.515 1.00 0.00 C ATOM 886 C VAL A 59 20.190 -1.621 21.578 1.00 0.00 C ATOM 887 O VAL A 59 19.690 -1.918 22.645 1.00 0.00 O ATOM 888 CB VAL A 59 19.296 -2.784 19.556 1.00 0.00 C ATOM 889 CG1 VAL A 59 18.863 -1.380 19.128 1.00 0.00 C ATOM 890 CG2 VAL A 59 19.707 -3.588 18.320 1.00 0.00 C ATOM 0 H VAL A 59 20.156 -4.154 22.024 1.00 0.00 H new ATOM 0 HA VAL A 59 21.376 -2.404 19.958 1.00 0.00 H new ATOM 0 HB VAL A 59 18.467 -3.283 20.057 1.00 0.00 H new ATOM 0 HG11 VAL A 59 18.017 -1.453 18.444 1.00 0.00 H new ATOM 0 HG12 VAL A 59 18.571 -0.806 20.007 1.00 0.00 H new ATOM 0 HG13 VAL A 59 19.692 -0.880 18.627 1.00 0.00 H new ATOM 0 HG21 VAL A 59 18.862 -3.661 17.636 1.00 0.00 H new ATOM 0 HG22 VAL A 59 20.537 -3.088 17.820 1.00 0.00 H new ATOM 0 HG23 VAL A 59 20.016 -4.589 18.623 1.00 0.00 H new ATOM 900 N ASP A 60 20.498 -0.384 21.296 1.00 0.00 N ATOM 901 CA ASP A 60 20.227 0.695 22.287 1.00 0.00 C ATOM 902 C ASP A 60 18.936 1.423 21.909 1.00 0.00 C ATOM 903 O ASP A 60 18.842 2.043 20.868 1.00 0.00 O ATOM 904 CB ASP A 60 21.390 1.689 22.287 1.00 0.00 C ATOM 905 CG ASP A 60 21.311 2.568 23.537 1.00 0.00 C ATOM 906 OD1 ASP A 60 20.253 2.605 24.144 1.00 0.00 O ATOM 907 OD2 ASP A 60 22.310 3.187 23.867 1.00 0.00 O ATOM 0 H ASP A 60 20.925 -0.075 20.423 1.00 0.00 H new ATOM 0 HA ASP A 60 20.120 0.258 23.280 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.339 1.154 22.265 1.00 0.00 H new ATOM 0 HB3 ASP A 60 21.353 2.309 21.391 1.00 0.00 H new ATOM 912 N LEU A 61 17.937 1.352 22.746 1.00 0.00 N ATOM 913 CA LEU A 61 16.652 2.039 22.434 1.00 0.00 C ATOM 914 C LEU A 61 16.622 3.402 23.128 1.00 0.00 C ATOM 915 O LEU A 61 15.595 4.048 23.204 1.00 0.00 O ATOM 916 CB LEU A 61 15.483 1.186 22.932 1.00 0.00 C ATOM 917 CG LEU A 61 15.398 -0.098 22.105 1.00 0.00 C ATOM 918 CD1 LEU A 61 14.322 -1.013 22.691 1.00 0.00 C ATOM 919 CD2 LEU A 61 15.036 0.253 20.659 1.00 0.00 C ATOM 0 H LEU A 61 17.955 0.848 23.632 1.00 0.00 H new ATOM 0 HA LEU A 61 16.566 2.178 21.356 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.619 0.944 23.986 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.551 1.745 22.851 1.00 0.00 H new ATOM 0 HG LEU A 61 16.360 -0.610 22.127 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.262 -1.928 22.101 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.577 -1.261 23.721 1.00 0.00 H new ATOM 0 HD13 LEU A 61 13.359 -0.503 22.669 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.975 -0.660 20.067 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.073 0.764 20.639 1.00 0.00 H new ATOM 0 HD23 LEU A 61 15.802 0.906 20.240 1.00 0.00 H new ATOM 931 N SER A 62 17.739 3.845 23.635 1.00 0.00 N ATOM 932 CA SER A 62 17.773 5.167 24.322 1.00 0.00 C ATOM 933 C SER A 62 17.354 6.263 23.340 1.00 0.00 C ATOM 934 O SER A 62 16.596 7.152 23.673 1.00 0.00 O ATOM 935 CB SER A 62 19.191 5.445 24.821 1.00 0.00 C ATOM 936 OG SER A 62 19.586 4.412 25.713 1.00 0.00 O ATOM 0 H SER A 62 18.630 3.349 23.603 1.00 0.00 H new ATOM 0 HA SER A 62 17.086 5.155 25.168 1.00 0.00 H new ATOM 0 HB2 SER A 62 19.881 5.498 23.979 1.00 0.00 H new ATOM 0 HB3 SER A 62 19.229 6.411 25.325 1.00 0.00 H new ATOM 0 HG SER A 62 19.598 3.555 25.237 1.00 0.00 H new ATOM 942 N CYS A 63 17.841 6.207 22.130 1.00 0.00 N ATOM 943 CA CYS A 63 17.455 7.235 21.123 1.00 0.00 C ATOM 944 C CYS A 63 16.133 6.836 20.467 1.00 0.00 C ATOM 945 O CYS A 63 15.741 7.381 19.454 1.00 0.00 O ATOM 946 CB CYS A 63 18.546 7.336 20.054 1.00 0.00 C ATOM 947 SG CYS A 63 20.146 7.625 20.849 1.00 0.00 S ATOM 0 H CYS A 63 18.489 5.494 21.796 1.00 0.00 H new ATOM 0 HA CYS A 63 17.338 8.200 21.616 1.00 0.00 H new ATOM 0 HB2 CYS A 63 18.580 6.418 19.467 1.00 0.00 H new ATOM 0 HB3 CYS A 63 18.319 8.148 19.363 1.00 0.00 H new ATOM 0 HG CYS A 63 21.073 7.708 19.941 1.00 0.00 H new ATOM 953 N PHE A 64 15.440 5.888 21.037 1.00 0.00 N ATOM 954 CA PHE A 64 14.139 5.460 20.449 1.00 0.00 C ATOM 955 C PHE A 64 12.998 5.859 21.388 1.00 0.00 C ATOM 956 O PHE A 64 12.991 5.512 22.553 1.00 0.00 O ATOM 957 CB PHE A 64 14.139 3.942 20.263 1.00 0.00 C ATOM 958 CG PHE A 64 12.790 3.496 19.752 1.00 0.00 C ATOM 959 CD1 PHE A 64 12.384 3.839 18.456 1.00 0.00 C ATOM 960 CD2 PHE A 64 11.945 2.742 20.573 1.00 0.00 C ATOM 961 CE1 PHE A 64 11.134 3.426 17.982 1.00 0.00 C ATOM 962 CE2 PHE A 64 10.693 2.329 20.099 1.00 0.00 C ATOM 963 CZ PHE A 64 10.288 2.671 18.804 1.00 0.00 C ATOM 0 H PHE A 64 15.718 5.392 21.884 1.00 0.00 H new ATOM 0 HA PHE A 64 14.000 5.945 19.483 1.00 0.00 H new ATOM 0 HB2 PHE A 64 14.920 3.651 19.560 1.00 0.00 H new ATOM 0 HB3 PHE A 64 14.362 3.449 21.209 1.00 0.00 H new ATOM 0 HD1 PHE A 64 13.036 4.422 17.823 1.00 0.00 H new ATOM 0 HD2 PHE A 64 12.258 2.478 21.572 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.822 3.689 16.982 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.041 1.747 20.733 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.323 2.353 18.438 1.00 0.00 H new ATOM 973 N ASP A 65 12.035 6.584 20.890 1.00 0.00 N ATOM 974 CA ASP A 65 10.897 7.005 21.756 1.00 0.00 C ATOM 975 C ASP A 65 9.901 5.851 21.884 1.00 0.00 C ATOM 976 O ASP A 65 10.156 4.746 21.448 1.00 0.00 O ATOM 977 CB ASP A 65 10.198 8.214 21.128 1.00 0.00 C ATOM 978 CG ASP A 65 11.074 9.456 21.301 1.00 0.00 C ATOM 979 OD1 ASP A 65 12.089 9.353 21.968 1.00 0.00 O ATOM 980 OD2 ASP A 65 10.713 10.490 20.764 1.00 0.00 O ATOM 0 H ASP A 65 11.986 6.903 19.922 1.00 0.00 H new ATOM 0 HA ASP A 65 11.272 7.274 22.744 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.013 8.031 20.070 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.228 8.372 21.599 1.00 0.00 H new ATOM 985 N PHE A 66 8.767 6.097 22.482 1.00 0.00 N ATOM 986 CA PHE A 66 7.756 5.014 22.638 1.00 0.00 C ATOM 987 C PHE A 66 6.383 5.530 22.204 1.00 0.00 C ATOM 988 O PHE A 66 5.741 4.965 21.340 1.00 0.00 O ATOM 989 CB PHE A 66 7.697 4.579 24.104 1.00 0.00 C ATOM 990 CG PHE A 66 6.765 3.399 24.242 1.00 0.00 C ATOM 991 CD1 PHE A 66 7.258 2.096 24.096 1.00 0.00 C ATOM 992 CD2 PHE A 66 5.408 3.606 24.516 1.00 0.00 C ATOM 993 CE1 PHE A 66 6.395 1.002 24.225 1.00 0.00 C ATOM 994 CE2 PHE A 66 4.545 2.513 24.645 1.00 0.00 C ATOM 995 CZ PHE A 66 5.038 1.210 24.499 1.00 0.00 C ATOM 0 H PHE A 66 8.497 7.001 22.869 1.00 0.00 H new ATOM 0 HA PHE A 66 8.037 4.163 22.017 1.00 0.00 H new ATOM 0 HB2 PHE A 66 8.694 4.312 24.456 1.00 0.00 H new ATOM 0 HB3 PHE A 66 7.350 5.404 24.726 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.305 1.936 23.884 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.027 4.610 24.628 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.776 -0.002 24.113 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.498 2.674 24.857 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.371 0.366 24.598 1.00 0.00 H new ATOM 1005 N ARG A 67 5.927 6.600 22.795 1.00 0.00 N ATOM 1006 CA ARG A 67 4.594 7.149 22.418 1.00 0.00 C ATOM 1007 C ARG A 67 4.596 7.516 20.932 1.00 0.00 C ATOM 1008 O ARG A 67 3.667 7.219 20.209 1.00 0.00 O ATOM 1009 CB ARG A 67 4.303 8.399 23.252 1.00 0.00 C ATOM 1010 CG ARG A 67 2.793 8.533 23.460 1.00 0.00 C ATOM 1011 CD ARG A 67 2.322 7.492 24.476 1.00 0.00 C ATOM 1012 NE ARG A 67 1.311 6.600 23.842 1.00 0.00 N ATOM 1013 CZ ARG A 67 0.267 7.114 23.253 1.00 0.00 C ATOM 1014 NH1 ARG A 67 0.108 8.408 23.218 1.00 0.00 N ATOM 1015 NH2 ARG A 67 -0.619 6.333 22.697 1.00 0.00 N ATOM 0 H ARG A 67 6.420 7.118 23.523 1.00 0.00 H new ATOM 0 HA ARG A 67 3.825 6.400 22.606 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.809 8.333 24.215 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.691 9.284 22.748 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.552 9.536 23.813 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.271 8.394 22.513 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.169 6.905 24.830 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.891 7.987 25.346 1.00 0.00 H new ATOM 0 HE ARG A 67 1.435 5.588 23.869 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.800 9.019 23.651 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.709 8.809 22.757 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.495 5.321 22.723 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.436 6.735 22.236 1.00 0.00 H new ATOM 1029 N THR A 68 5.634 8.160 20.472 1.00 0.00 N ATOM 1030 CA THR A 68 5.690 8.552 19.036 1.00 0.00 C ATOM 1031 C THR A 68 6.597 7.581 18.277 1.00 0.00 C ATOM 1032 O THR A 68 6.809 7.715 17.088 1.00 0.00 O ATOM 1033 CB THR A 68 6.249 9.972 18.917 1.00 0.00 C ATOM 1034 OG1 THR A 68 7.450 10.071 19.669 1.00 0.00 O ATOM 1035 CG2 THR A 68 5.225 10.973 19.453 1.00 0.00 C ATOM 0 H THR A 68 6.445 8.431 21.028 1.00 0.00 H new ATOM 0 HA THR A 68 4.687 8.519 18.611 1.00 0.00 H new ATOM 0 HB THR A 68 6.456 10.194 17.870 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.810 10.979 19.592 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.625 11.983 19.368 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.304 10.897 18.874 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.015 10.753 20.500 1.00 0.00 H new ATOM 1043 N GLY A 69 7.133 6.603 18.955 1.00 0.00 N ATOM 1044 CA GLY A 69 8.026 5.625 18.271 1.00 0.00 C ATOM 1045 C GLY A 69 8.841 6.341 17.192 1.00 0.00 C ATOM 1046 O GLY A 69 8.539 6.262 16.019 1.00 0.00 O ATOM 0 H GLY A 69 6.991 6.439 19.952 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.694 5.158 18.995 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.433 4.827 17.824 1.00 0.00 H new ATOM 1050 N LYS A 70 9.871 7.040 17.582 1.00 0.00 N ATOM 1051 CA LYS A 70 10.709 7.754 16.578 1.00 0.00 C ATOM 1052 C LYS A 70 12.169 7.749 17.034 1.00 0.00 C ATOM 1053 O LYS A 70 12.476 7.417 18.161 1.00 0.00 O ATOM 1054 CB LYS A 70 10.222 9.199 16.443 1.00 0.00 C ATOM 1055 CG LYS A 70 10.162 9.849 17.827 1.00 0.00 C ATOM 1056 CD LYS A 70 10.273 11.368 17.683 1.00 0.00 C ATOM 1057 CE LYS A 70 9.063 11.898 16.912 1.00 0.00 C ATOM 1058 NZ LYS A 70 9.134 13.385 16.836 1.00 0.00 N ATOM 0 H LYS A 70 10.168 7.148 18.552 1.00 0.00 H new ATOM 0 HA LYS A 70 10.628 7.251 15.614 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.894 9.761 15.794 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.237 9.220 15.977 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.227 9.587 18.323 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.971 9.472 18.453 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.323 11.834 18.667 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.193 11.628 17.160 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.043 11.473 15.909 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.141 11.592 17.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.311 13.745 16.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.133 13.782 17.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.007 13.666 16.346 1.00 0.00 H new ATOM 1072 N MET A 71 13.073 8.113 16.165 1.00 0.00 N ATOM 1073 CA MET A 71 14.511 8.137 16.554 1.00 0.00 C ATOM 1074 C MET A 71 15.000 9.586 16.613 1.00 0.00 C ATOM 1075 O MET A 71 14.725 10.380 15.736 1.00 0.00 O ATOM 1076 CB MET A 71 15.332 7.364 15.518 1.00 0.00 C ATOM 1077 CG MET A 71 15.553 5.932 16.008 1.00 0.00 C ATOM 1078 SD MET A 71 17.013 5.879 17.076 1.00 0.00 S ATOM 1079 CE MET A 71 17.229 4.082 17.075 1.00 0.00 C ATOM 0 H MET A 71 12.878 8.394 15.204 1.00 0.00 H new ATOM 0 HA MET A 71 14.630 7.673 17.533 1.00 0.00 H new ATOM 0 HB2 MET A 71 14.813 7.356 14.560 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.291 7.857 15.357 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.677 5.584 16.555 1.00 0.00 H new ATOM 0 HG3 MET A 71 15.686 5.262 15.159 1.00 0.00 H new ATOM 0 HE1 MET A 71 18.268 3.840 17.297 1.00 0.00 H new ATOM 0 HE2 MET A 71 16.583 3.637 17.832 1.00 0.00 H new ATOM 0 HE3 MET A 71 16.966 3.684 16.095 1.00 0.00 H new