USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=18 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= 1.3 USER MOD Set 1.2: A 41 SER OG : rot -53:sc= 1.04 USER MOD Set 1.3: A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -57:sc= 0.0138 USER MOD Single : A 10 CYS SG : rot 160:sc= -1.61 USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.216) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc=-0.00286 (180deg=-0.113) USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= -0.0247 (180deg=-0.514) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -53:sc= 0.007 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= -0.322 USER MOD Single : A 37 TYR OH : rot -135:sc= -0.185 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -90:sc= -2.09! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -8.32! C(o=-8.3!,f=-1.7!) USER MOD Single : A 57 ASN : amide:sc= -0.0145 K(o=-0.014,f=-1.7!) USER MOD Single : A 62 SER OG : rot 92:sc= 1.21 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 87:sc= -2.59! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 170:sc= -0.501 (180deg=-0.503) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -4.189 1.036 11.763 1.00 0.00 N ATOM 53 CA GLY A 6 -3.296 0.088 11.039 1.00 0.00 C ATOM 54 C GLY A 6 -1.934 0.037 11.733 1.00 0.00 C ATOM 55 O GLY A 6 -1.527 0.974 12.391 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.743 -0.906 11.019 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.176 0.404 10.003 1.00 0.00 H new ATOM 59 N ARG A 7 -1.226 -1.050 11.593 1.00 0.00 N ATOM 60 CA ARG A 7 0.113 -1.156 12.239 1.00 0.00 C ATOM 61 C ARG A 7 1.149 -0.418 11.390 1.00 0.00 C ATOM 62 O ARG A 7 0.884 -0.027 10.270 1.00 0.00 O ATOM 63 CB ARG A 7 0.506 -2.630 12.357 1.00 0.00 C ATOM 64 CG ARG A 7 -0.368 -3.308 13.415 1.00 0.00 C ATOM 65 CD ARG A 7 0.006 -4.788 13.515 1.00 0.00 C ATOM 66 NE ARG A 7 -0.814 -5.438 14.575 1.00 0.00 N ATOM 67 CZ ARG A 7 -0.844 -6.738 14.672 1.00 0.00 C ATOM 68 NH1 ARG A 7 -0.156 -7.470 13.841 1.00 0.00 N ATOM 69 NH2 ARG A 7 -1.563 -7.307 15.601 1.00 0.00 N ATOM 0 H ARG A 7 -1.517 -1.869 11.059 1.00 0.00 H new ATOM 0 HA ARG A 7 0.074 -0.709 13.233 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.384 -3.128 11.395 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.558 -2.716 12.629 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.231 -2.822 14.381 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.421 -3.205 13.152 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.161 -5.282 12.558 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.066 -4.891 13.746 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.352 -4.866 15.225 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.406 -7.026 13.115 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.180 -8.487 13.917 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.102 -6.735 16.251 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.586 -8.324 15.677 1.00 0.00 H new ATOM 83 N THR A 8 2.330 -0.228 11.912 1.00 0.00 N ATOM 84 CA THR A 8 3.380 0.490 11.137 1.00 0.00 C ATOM 85 C THR A 8 4.727 -0.206 11.339 1.00 0.00 C ATOM 86 O THR A 8 4.981 -0.800 12.368 1.00 0.00 O ATOM 87 CB THR A 8 3.477 1.938 11.627 1.00 0.00 C ATOM 88 OG1 THR A 8 3.978 1.954 12.955 1.00 0.00 O ATOM 89 CG2 THR A 8 2.090 2.583 11.593 1.00 0.00 C ATOM 0 H THR A 8 2.613 -0.539 12.841 1.00 0.00 H new ATOM 0 HA THR A 8 3.120 0.481 10.079 1.00 0.00 H new ATOM 0 HB THR A 8 4.151 2.498 10.979 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.400 1.410 13.529 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.159 3.613 11.942 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.708 2.570 10.572 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.413 2.025 12.241 1.00 0.00 H new ATOM 97 N ASP A 9 5.593 -0.138 10.366 1.00 0.00 N ATOM 98 CA ASP A 9 6.923 -0.795 10.505 1.00 0.00 C ATOM 99 C ASP A 9 7.850 0.098 11.331 1.00 0.00 C ATOM 100 O ASP A 9 7.638 1.289 11.449 1.00 0.00 O ATOM 101 CB ASP A 9 7.532 -1.015 9.117 1.00 0.00 C ATOM 102 CG ASP A 9 8.762 -1.916 9.236 1.00 0.00 C ATOM 103 OD1 ASP A 9 9.172 -2.182 10.354 1.00 0.00 O ATOM 104 OD2 ASP A 9 9.275 -2.324 8.207 1.00 0.00 O ATOM 0 H ASP A 9 5.437 0.344 9.481 1.00 0.00 H new ATOM 0 HA ASP A 9 6.802 -1.756 11.006 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.797 -1.471 8.454 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.810 -0.058 8.675 1.00 0.00 H new ATOM 109 N CYS A 10 8.877 -0.466 11.905 1.00 0.00 N ATOM 110 CA CYS A 10 9.830 0.356 12.704 1.00 0.00 C ATOM 111 C CYS A 10 11.070 0.660 11.861 1.00 0.00 C ATOM 112 O CYS A 10 11.762 -0.233 11.414 1.00 0.00 O ATOM 113 CB CYS A 10 10.243 -0.416 13.958 1.00 0.00 C ATOM 114 SG CYS A 10 10.457 0.739 15.334 1.00 0.00 S ATOM 0 H CYS A 10 9.098 -1.461 11.855 1.00 0.00 H new ATOM 0 HA CYS A 10 9.349 1.290 12.995 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.485 -1.159 14.207 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.171 -0.957 13.776 1.00 0.00 H new ATOM 0 HG CYS A 10 10.384 0.092 16.459 1.00 0.00 H new ATOM 120 N PRO A 11 11.343 1.919 11.647 1.00 0.00 N ATOM 121 CA PRO A 11 12.486 2.365 10.799 1.00 0.00 C ATOM 122 C PRO A 11 13.835 2.174 11.498 1.00 0.00 C ATOM 123 O PRO A 11 14.859 2.028 10.861 1.00 0.00 O ATOM 124 CB PRO A 11 12.209 3.852 10.567 1.00 0.00 C ATOM 125 CG PRO A 11 11.370 4.286 11.724 1.00 0.00 C ATOM 126 CD PRO A 11 10.587 3.055 12.195 1.00 0.00 C ATOM 0 HA PRO A 11 12.556 1.787 9.878 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.137 4.422 10.520 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.688 4.012 9.623 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.994 4.677 12.528 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.691 5.086 11.429 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.532 3.010 13.283 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.562 3.068 11.824 1.00 0.00 H new ATOM 134 N ALA A 12 13.844 2.174 12.803 1.00 0.00 N ATOM 135 CA ALA A 12 15.132 2.033 13.539 1.00 0.00 C ATOM 136 C ALA A 12 15.286 0.591 14.026 1.00 0.00 C ATOM 137 O ALA A 12 16.347 0.005 13.938 1.00 0.00 O ATOM 138 CB ALA A 12 15.138 2.980 14.741 1.00 0.00 C ATOM 0 H ALA A 12 13.016 2.265 13.391 1.00 0.00 H new ATOM 0 HA ALA A 12 15.959 2.283 12.875 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.080 2.878 15.280 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.028 4.008 14.395 1.00 0.00 H new ATOM 0 HB3 ALA A 12 14.311 2.730 15.405 1.00 0.00 H new ATOM 144 N LEU A 13 14.235 0.012 14.541 1.00 0.00 N ATOM 145 CA LEU A 13 14.323 -1.390 15.036 1.00 0.00 C ATOM 146 C LEU A 13 14.408 -2.348 13.845 1.00 0.00 C ATOM 147 O LEU A 13 13.947 -2.046 12.761 1.00 0.00 O ATOM 148 CB LEU A 13 13.080 -1.718 15.866 1.00 0.00 C ATOM 149 CG LEU A 13 13.389 -1.514 17.350 1.00 0.00 C ATOM 150 CD1 LEU A 13 13.686 -0.036 17.613 1.00 0.00 C ATOM 151 CD2 LEU A 13 12.182 -1.946 18.185 1.00 0.00 C ATOM 0 H LEU A 13 13.319 0.450 14.640 1.00 0.00 H new ATOM 0 HA LEU A 13 15.213 -1.500 15.656 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.250 -1.079 15.565 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.771 -2.748 15.686 1.00 0.00 H new ATOM 0 HG LEU A 13 14.257 -2.113 17.625 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.906 0.108 18.671 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.545 0.274 17.018 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.819 0.564 17.338 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.401 -1.801 19.243 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.315 -1.346 17.908 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.969 -2.999 17.999 1.00 0.00 H new ATOM 163 N PRO A 14 14.995 -3.494 14.051 1.00 0.00 N ATOM 164 CA PRO A 14 15.157 -4.523 12.982 1.00 0.00 C ATOM 165 C PRO A 14 13.918 -4.627 12.088 1.00 0.00 C ATOM 166 O PRO A 14 12.798 -4.619 12.560 1.00 0.00 O ATOM 167 CB PRO A 14 15.367 -5.828 13.755 1.00 0.00 C ATOM 168 CG PRO A 14 15.918 -5.422 15.083 1.00 0.00 C ATOM 169 CD PRO A 14 15.570 -3.934 15.330 1.00 0.00 C ATOM 0 HA PRO A 14 15.980 -4.280 12.310 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.429 -6.372 13.869 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.057 -6.489 13.230 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.498 -6.045 15.873 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.998 -5.566 15.104 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.860 -3.819 16.149 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.455 -3.354 15.592 1.00 0.00 H new ATOM 177 N PRO A 15 14.126 -4.726 10.803 1.00 0.00 N ATOM 178 CA PRO A 15 13.019 -4.846 9.812 1.00 0.00 C ATOM 179 C PRO A 15 12.001 -5.920 10.209 1.00 0.00 C ATOM 180 O PRO A 15 12.348 -7.058 10.454 1.00 0.00 O ATOM 181 CB PRO A 15 13.732 -5.237 8.517 1.00 0.00 C ATOM 182 CG PRO A 15 15.129 -4.733 8.665 1.00 0.00 C ATOM 183 CD PRO A 15 15.446 -4.731 10.155 1.00 0.00 C ATOM 0 HA PRO A 15 12.445 -3.923 9.731 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.718 -6.317 8.371 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.244 -4.792 7.650 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.828 -5.370 8.123 1.00 0.00 H new ATOM 0 HG3 PRO A 15 15.223 -3.730 8.249 1.00 0.00 H new ATOM 0 HD2 PRO A 15 16.027 -5.608 10.440 1.00 0.00 H new ATOM 0 HD3 PRO A 15 16.032 -3.856 10.437 1.00 0.00 H new ATOM 191 N GLY A 16 10.747 -5.567 10.274 1.00 0.00 N ATOM 192 CA GLY A 16 9.709 -6.566 10.658 1.00 0.00 C ATOM 193 C GLY A 16 8.985 -6.091 11.918 1.00 0.00 C ATOM 194 O GLY A 16 7.814 -6.354 12.110 1.00 0.00 O ATOM 0 H GLY A 16 10.396 -4.630 10.078 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.996 -6.697 9.844 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.172 -7.537 10.836 1.00 0.00 H new ATOM 198 N TRP A 17 9.673 -5.393 12.781 1.00 0.00 N ATOM 199 CA TRP A 17 9.022 -4.900 14.027 1.00 0.00 C ATOM 200 C TRP A 17 7.809 -4.042 13.664 1.00 0.00 C ATOM 201 O TRP A 17 7.883 -3.173 12.817 1.00 0.00 O ATOM 202 CB TRP A 17 10.020 -4.060 14.826 1.00 0.00 C ATOM 203 CG TRP A 17 10.762 -4.940 15.780 1.00 0.00 C ATOM 204 CD1 TRP A 17 12.036 -5.365 15.614 1.00 0.00 C ATOM 205 CD2 TRP A 17 10.302 -5.509 17.039 1.00 0.00 C ATOM 206 NE1 TRP A 17 12.386 -6.158 16.692 1.00 0.00 N ATOM 207 CE2 TRP A 17 11.351 -6.277 17.597 1.00 0.00 C ATOM 208 CE3 TRP A 17 9.087 -5.434 17.744 1.00 0.00 C ATOM 209 CZ2 TRP A 17 11.200 -6.947 18.811 1.00 0.00 C ATOM 210 CZ3 TRP A 17 8.932 -6.108 18.968 1.00 0.00 C ATOM 211 CH2 TRP A 17 9.987 -6.863 19.499 1.00 0.00 C ATOM 0 H TRP A 17 10.656 -5.144 12.677 1.00 0.00 H new ATOM 0 HA TRP A 17 8.699 -5.750 14.628 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.719 -3.567 14.151 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.496 -3.275 15.371 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.675 -5.124 14.777 1.00 0.00 H new ATOM 0 HE1 TRP A 17 13.298 -6.601 16.804 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.268 -4.855 17.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 12.016 -7.527 19.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 7.995 -6.044 19.502 1.00 0.00 H new ATOM 0 HH2 TRP A 17 9.862 -7.379 20.439 1.00 0.00 H new ATOM 222 N LYS A 18 6.692 -4.277 14.297 1.00 0.00 N ATOM 223 CA LYS A 18 5.475 -3.478 13.982 1.00 0.00 C ATOM 224 C LYS A 18 5.009 -2.742 15.240 1.00 0.00 C ATOM 225 O LYS A 18 5.126 -3.241 16.342 1.00 0.00 O ATOM 226 CB LYS A 18 4.363 -4.409 13.496 1.00 0.00 C ATOM 227 CG LYS A 18 4.755 -5.010 12.144 1.00 0.00 C ATOM 228 CD LYS A 18 3.657 -5.964 11.671 1.00 0.00 C ATOM 229 CE LYS A 18 4.072 -6.602 10.343 1.00 0.00 C ATOM 230 NZ LYS A 18 4.049 -5.570 9.267 1.00 0.00 N ATOM 0 H LYS A 18 6.570 -4.988 15.018 1.00 0.00 H new ATOM 0 HA LYS A 18 5.709 -2.754 13.202 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.195 -5.203 14.224 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.427 -3.858 13.403 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.903 -4.217 11.411 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.702 -5.543 12.232 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.485 -6.737 12.420 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.718 -5.423 11.549 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.071 -7.030 10.429 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.395 -7.419 10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.096 -6.036 8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.170 -5.018 9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.865 -4.935 9.377 1.00 0.00 H new ATOM 244 N LYS A 19 4.482 -1.558 15.087 1.00 0.00 N ATOM 245 CA LYS A 19 4.017 -0.790 16.275 1.00 0.00 C ATOM 246 C LYS A 19 2.564 -0.357 16.068 1.00 0.00 C ATOM 247 O LYS A 19 2.178 0.059 14.994 1.00 0.00 O ATOM 248 CB LYS A 19 4.897 0.449 16.458 1.00 0.00 C ATOM 249 CG LYS A 19 4.392 1.263 17.651 1.00 0.00 C ATOM 250 CD LYS A 19 5.253 2.516 17.817 1.00 0.00 C ATOM 251 CE LYS A 19 4.458 3.745 17.374 1.00 0.00 C ATOM 252 NZ LYS A 19 4.129 3.629 15.925 1.00 0.00 N ATOM 0 H LYS A 19 4.354 -1.090 14.190 1.00 0.00 H new ATOM 0 HA LYS A 19 4.085 -1.419 17.163 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.933 0.151 16.620 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.878 1.058 15.554 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.350 1.543 17.498 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.430 0.660 18.558 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.560 2.624 18.857 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.163 2.426 17.224 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.543 3.830 17.960 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.037 4.650 17.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.788 4.546 15.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.980 3.349 15.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.388 2.911 15.794 1.00 0.00 H new ATOM 266 N GLU A 20 1.756 -0.452 17.088 1.00 0.00 N ATOM 267 CA GLU A 20 0.328 -0.050 16.947 1.00 0.00 C ATOM 268 C GLU A 20 0.001 1.035 17.976 1.00 0.00 C ATOM 269 O GLU A 20 0.515 1.035 19.077 1.00 0.00 O ATOM 270 CB GLU A 20 -0.571 -1.266 17.186 1.00 0.00 C ATOM 271 CG GLU A 20 -2.036 -0.855 17.032 1.00 0.00 C ATOM 272 CD GLU A 20 -2.933 -2.077 17.236 1.00 0.00 C ATOM 273 OE1 GLU A 20 -2.430 -3.084 17.708 1.00 0.00 O ATOM 274 OE2 GLU A 20 -4.107 -1.986 16.918 1.00 0.00 O ATOM 0 H GLU A 20 2.023 -0.790 18.013 1.00 0.00 H new ATOM 0 HA GLU A 20 0.157 0.337 15.942 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.328 -2.057 16.476 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.398 -1.669 18.184 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.286 -0.082 17.758 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.203 -0.429 16.043 1.00 0.00 H new ATOM 281 N GLU A 21 -0.849 1.962 17.626 1.00 0.00 N ATOM 282 CA GLU A 21 -1.208 3.043 18.585 1.00 0.00 C ATOM 283 C GLU A 21 -2.730 3.122 18.719 1.00 0.00 C ATOM 284 O GLU A 21 -3.428 3.478 17.790 1.00 0.00 O ATOM 285 CB GLU A 21 -0.672 4.381 18.071 1.00 0.00 C ATOM 286 CG GLU A 21 -0.939 5.472 19.109 1.00 0.00 C ATOM 287 CD GLU A 21 -0.293 6.781 18.652 1.00 0.00 C ATOM 288 OE1 GLU A 21 0.088 6.858 17.496 1.00 0.00 O ATOM 289 OE2 GLU A 21 -0.190 7.683 19.467 1.00 0.00 O ATOM 0 H GLU A 21 -1.310 2.017 16.718 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.768 2.825 19.558 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.398 4.305 17.875 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.152 4.638 17.127 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.012 5.610 19.239 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.536 5.174 20.077 1.00 0.00 H new ATOM 296 N VAL A 22 -3.252 2.793 19.870 1.00 0.00 N ATOM 297 CA VAL A 22 -4.729 2.845 20.061 1.00 0.00 C ATOM 298 C VAL A 22 -5.076 3.970 21.038 1.00 0.00 C ATOM 299 O VAL A 22 -4.488 4.092 22.094 1.00 0.00 O ATOM 300 CB VAL A 22 -5.218 1.510 20.625 1.00 0.00 C ATOM 301 CG1 VAL A 22 -6.661 1.659 21.111 1.00 0.00 C ATOM 302 CG2 VAL A 22 -5.158 0.443 19.531 1.00 0.00 C ATOM 0 H VAL A 22 -2.719 2.491 20.686 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.214 3.033 19.103 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.582 1.213 21.459 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.010 0.708 21.513 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.706 2.420 21.890 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.297 1.955 20.277 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.506 -0.509 19.932 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.794 0.740 18.697 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.131 0.336 19.183 1.00 0.00 H new ATOM 312 N ILE A 23 -6.028 4.794 20.696 1.00 0.00 N ATOM 313 CA ILE A 23 -6.408 5.912 21.604 1.00 0.00 C ATOM 314 C ILE A 23 -7.663 5.527 22.390 1.00 0.00 C ATOM 315 O ILE A 23 -8.655 5.111 21.826 1.00 0.00 O ATOM 316 CB ILE A 23 -6.690 7.168 20.777 1.00 0.00 C ATOM 317 CG1 ILE A 23 -5.441 7.538 19.973 1.00 0.00 C ATOM 318 CG2 ILE A 23 -7.053 8.324 21.713 1.00 0.00 C ATOM 319 CD1 ILE A 23 -5.782 8.658 18.987 1.00 0.00 C ATOM 0 H ILE A 23 -6.559 4.741 19.827 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.591 6.110 22.298 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.519 6.977 20.096 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.645 7.860 20.645 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.070 6.666 19.435 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.254 9.219 21.125 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.941 8.061 22.289 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.223 8.516 22.393 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.893 8.922 18.414 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.564 8.319 18.308 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.132 9.532 19.536 1.00 0.00 H new ATOM 331 N ARG A 24 -7.626 5.661 23.687 1.00 0.00 N ATOM 332 CA ARG A 24 -8.819 5.308 24.507 1.00 0.00 C ATOM 333 C ARG A 24 -10.055 6.008 23.938 1.00 0.00 C ATOM 334 O ARG A 24 -10.211 7.207 24.057 1.00 0.00 O ATOM 335 CB ARG A 24 -8.597 5.759 25.952 1.00 0.00 C ATOM 336 CG ARG A 24 -9.761 5.280 26.821 1.00 0.00 C ATOM 337 CD ARG A 24 -9.370 3.984 27.533 1.00 0.00 C ATOM 338 NE ARG A 24 -8.108 4.197 28.296 1.00 0.00 N ATOM 339 CZ ARG A 24 -7.805 3.406 29.288 1.00 0.00 C ATOM 340 NH1 ARG A 24 -8.602 2.421 29.604 1.00 0.00 N ATOM 341 NH2 ARG A 24 -6.705 3.597 29.963 1.00 0.00 N ATOM 0 H ARG A 24 -6.821 6.000 24.214 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.970 4.229 24.483 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.657 5.356 26.330 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.519 6.845 25.997 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.020 6.045 27.553 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.645 5.116 26.205 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.167 3.673 28.208 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.237 3.183 26.806 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.481 4.961 28.043 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.461 2.270 29.075 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.365 1.802 30.380 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.081 4.365 29.715 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.469 2.978 30.739 1.00 0.00 H new ATOM 355 N LYS A 25 -10.935 5.268 23.320 1.00 0.00 N ATOM 356 CA LYS A 25 -12.153 5.895 22.732 1.00 0.00 C ATOM 357 C LYS A 25 -13.293 5.844 23.749 1.00 0.00 C ATOM 358 O LYS A 25 -14.304 6.503 23.597 1.00 0.00 O ATOM 359 CB LYS A 25 -12.560 5.131 21.470 1.00 0.00 C ATOM 360 CG LYS A 25 -12.767 3.654 21.812 1.00 0.00 C ATOM 361 CD LYS A 25 -13.091 2.876 20.535 1.00 0.00 C ATOM 362 CE LYS A 25 -13.329 1.405 20.881 1.00 0.00 C ATOM 363 NZ LYS A 25 -12.081 0.819 21.446 1.00 0.00 N ATOM 0 H LYS A 25 -10.863 4.258 23.197 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.941 6.933 22.476 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.477 5.552 21.057 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.790 5.234 20.706 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.870 3.249 22.280 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.578 3.546 22.532 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.975 3.296 20.055 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.270 2.965 19.824 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.143 1.317 21.601 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.631 0.855 19.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.125 -0.218 21.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.261 1.165 20.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.985 1.101 22.443 1.00 0.00 H new ATOM 377 N SER A 26 -13.142 5.069 24.787 1.00 0.00 N ATOM 378 CA SER A 26 -14.227 4.961 25.803 1.00 0.00 C ATOM 379 C SER A 26 -13.882 5.830 27.013 1.00 0.00 C ATOM 380 O SER A 26 -12.790 5.771 27.542 1.00 0.00 O ATOM 381 CB SER A 26 -14.369 3.504 26.245 1.00 0.00 C ATOM 382 OG SER A 26 -15.143 2.795 25.286 1.00 0.00 O ATOM 0 H SER A 26 -12.313 4.505 24.976 1.00 0.00 H new ATOM 0 HA SER A 26 -15.167 5.302 25.368 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.385 3.045 26.346 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.846 3.454 27.224 1.00 0.00 H new ATOM 0 HG SER A 26 -15.234 1.860 25.566 1.00 0.00 H new ATOM 388 N GLY A 27 -14.806 6.639 27.457 1.00 0.00 N ATOM 389 CA GLY A 27 -14.546 7.476 28.662 1.00 0.00 C ATOM 390 C GLY A 27 -14.321 8.928 28.236 1.00 0.00 C ATOM 391 O GLY A 27 -13.717 9.200 27.217 1.00 0.00 O ATOM 0 H GLY A 27 -15.728 6.756 27.037 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.389 7.414 29.350 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.672 7.103 29.195 1.00 0.00 H new ATOM 395 N LEU A 28 -14.802 9.864 29.007 1.00 0.00 N ATOM 396 CA LEU A 28 -14.620 11.298 28.642 1.00 0.00 C ATOM 397 C LEU A 28 -13.135 11.659 28.716 1.00 0.00 C ATOM 398 O LEU A 28 -12.665 12.537 28.020 1.00 0.00 O ATOM 399 CB LEU A 28 -15.408 12.177 29.615 1.00 0.00 C ATOM 400 CG LEU A 28 -15.397 13.624 29.121 1.00 0.00 C ATOM 401 CD1 LEU A 28 -16.538 13.832 28.123 1.00 0.00 C ATOM 402 CD2 LEU A 28 -15.583 14.570 30.309 1.00 0.00 C ATOM 0 H LEU A 28 -15.313 9.698 29.874 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.984 11.463 27.628 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -16.434 11.818 29.697 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.969 12.119 30.611 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.445 13.833 28.634 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -16.530 14.864 27.771 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.408 13.159 27.276 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -17.490 13.622 28.610 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.575 15.602 29.957 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -16.535 14.360 30.796 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.771 14.423 31.021 1.00 0.00 H new ATOM 414 N SER A 29 -12.393 10.989 29.555 1.00 0.00 N ATOM 415 CA SER A 29 -10.940 11.294 29.672 1.00 0.00 C ATOM 416 C SER A 29 -10.248 11.007 28.338 1.00 0.00 C ATOM 417 O SER A 29 -9.064 10.743 28.285 1.00 0.00 O ATOM 418 CB SER A 29 -10.322 10.421 30.765 1.00 0.00 C ATOM 419 OG SER A 29 -9.152 11.054 31.266 1.00 0.00 O ATOM 0 H SER A 29 -12.731 10.244 30.164 1.00 0.00 H new ATOM 0 HA SER A 29 -10.810 12.345 29.929 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.039 10.266 31.571 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.074 9.438 30.365 1.00 0.00 H new ATOM 0 HG SER A 29 -8.555 11.275 30.521 1.00 0.00 H new ATOM 425 N ALA A 30 -10.980 11.055 27.258 1.00 0.00 N ATOM 426 CA ALA A 30 -10.369 10.763 25.931 1.00 0.00 C ATOM 427 C ALA A 30 -9.019 11.475 25.823 1.00 0.00 C ATOM 428 O ALA A 30 -8.844 12.571 26.316 1.00 0.00 O ATOM 429 CB ALA A 30 -11.298 11.259 24.821 1.00 0.00 C ATOM 0 H ALA A 30 -11.974 11.284 27.238 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.222 9.688 25.828 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.851 11.045 23.850 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.260 10.751 24.897 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.446 12.334 24.924 1.00 0.00 H new ATOM 435 N GLY A 31 -8.063 10.860 25.182 1.00 0.00 N ATOM 436 CA GLY A 31 -6.723 11.499 25.051 1.00 0.00 C ATOM 437 C GLY A 31 -5.642 10.519 25.508 1.00 0.00 C ATOM 438 O GLY A 31 -4.492 10.627 25.131 1.00 0.00 O ATOM 0 H GLY A 31 -8.152 9.943 24.744 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.548 11.792 24.016 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.682 12.408 25.651 1.00 0.00 H new ATOM 442 N LYS A 32 -6.001 9.563 26.321 1.00 0.00 N ATOM 443 CA LYS A 32 -5.002 8.553 26.770 1.00 0.00 C ATOM 444 C LYS A 32 -4.867 7.461 25.706 1.00 0.00 C ATOM 445 O LYS A 32 -5.846 6.970 25.180 1.00 0.00 O ATOM 446 CB LYS A 32 -5.467 7.927 28.087 1.00 0.00 C ATOM 447 CG LYS A 32 -5.426 8.981 29.195 1.00 0.00 C ATOM 448 CD LYS A 32 -5.932 8.368 30.502 1.00 0.00 C ATOM 449 CE LYS A 32 -5.862 9.413 31.618 1.00 0.00 C ATOM 450 NZ LYS A 32 -6.429 8.842 32.871 1.00 0.00 N ATOM 0 H LYS A 32 -6.942 9.438 26.693 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.037 9.037 26.918 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.479 7.537 27.979 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.826 7.085 28.348 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.408 9.349 29.324 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.042 9.837 28.920 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.958 8.020 30.379 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.330 7.499 30.765 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.828 9.718 31.780 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.416 10.306 31.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.381 9.552 33.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.421 8.572 32.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.882 8.002 33.149 1.00 0.00 H new ATOM 464 N SER A 33 -3.662 7.079 25.385 1.00 0.00 N ATOM 465 CA SER A 33 -3.463 6.058 24.318 1.00 0.00 C ATOM 466 C SER A 33 -2.407 5.047 24.767 1.00 0.00 C ATOM 467 O SER A 33 -1.583 5.331 25.614 1.00 0.00 O ATOM 468 CB SER A 33 -2.996 6.747 23.035 1.00 0.00 C ATOM 469 OG SER A 33 -1.693 7.279 23.236 1.00 0.00 O ATOM 0 H SER A 33 -2.806 7.430 25.815 1.00 0.00 H new ATOM 0 HA SER A 33 -4.404 5.540 24.132 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.988 6.036 22.209 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.689 7.543 22.763 1.00 0.00 H new ATOM 0 HG SER A 33 -1.389 7.720 22.415 1.00 0.00 H new ATOM 475 N ASP A 34 -2.423 3.869 24.206 1.00 0.00 N ATOM 476 CA ASP A 34 -1.410 2.847 24.590 1.00 0.00 C ATOM 477 C ASP A 34 -0.683 2.355 23.335 1.00 0.00 C ATOM 478 O ASP A 34 -1.265 2.241 22.275 1.00 0.00 O ATOM 479 CB ASP A 34 -2.107 1.667 25.271 1.00 0.00 C ATOM 480 CG ASP A 34 -2.536 2.074 26.682 1.00 0.00 C ATOM 481 OD1 ASP A 34 -2.150 3.149 27.111 1.00 0.00 O ATOM 482 OD2 ASP A 34 -3.242 1.302 27.310 1.00 0.00 O ATOM 0 H ASP A 34 -3.094 3.570 23.498 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.690 3.289 25.279 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.976 1.359 24.690 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.434 0.810 25.317 1.00 0.00 H new ATOM 487 N VAL A 35 0.584 2.063 23.448 1.00 0.00 N ATOM 488 CA VAL A 35 1.350 1.602 22.257 1.00 0.00 C ATOM 489 C VAL A 35 1.762 0.140 22.448 1.00 0.00 C ATOM 490 O VAL A 35 2.293 -0.236 23.475 1.00 0.00 O ATOM 491 CB VAL A 35 2.601 2.466 22.089 1.00 0.00 C ATOM 492 CG1 VAL A 35 3.402 1.977 20.882 1.00 0.00 C ATOM 493 CG2 VAL A 35 2.187 3.923 21.868 1.00 0.00 C ATOM 0 H VAL A 35 1.121 2.124 24.313 1.00 0.00 H new ATOM 0 HA VAL A 35 0.725 1.690 21.368 1.00 0.00 H new ATOM 0 HB VAL A 35 3.216 2.393 22.986 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.293 2.593 20.763 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.696 0.939 21.037 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.788 2.050 19.984 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.077 4.540 21.748 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.572 3.995 20.971 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.616 4.273 22.728 1.00 0.00 H new ATOM 503 N TYR A 36 1.523 -0.686 21.468 1.00 0.00 N ATOM 504 CA TYR A 36 1.907 -2.121 21.592 1.00 0.00 C ATOM 505 C TYR A 36 2.985 -2.449 20.557 1.00 0.00 C ATOM 506 O TYR A 36 3.019 -1.886 19.480 1.00 0.00 O ATOM 507 CB TYR A 36 0.680 -3.001 21.346 1.00 0.00 C ATOM 508 CG TYR A 36 -0.517 -2.403 22.047 1.00 0.00 C ATOM 509 CD1 TYR A 36 -0.580 -2.398 23.445 1.00 0.00 C ATOM 510 CD2 TYR A 36 -1.565 -1.855 21.296 1.00 0.00 C ATOM 511 CE1 TYR A 36 -1.690 -1.844 24.094 1.00 0.00 C ATOM 512 CE2 TYR A 36 -2.674 -1.301 21.945 1.00 0.00 C ATOM 513 CZ TYR A 36 -2.737 -1.296 23.344 1.00 0.00 C ATOM 514 OH TYR A 36 -3.831 -0.749 23.983 1.00 0.00 O ATOM 0 H TYR A 36 1.078 -0.430 20.586 1.00 0.00 H new ATOM 0 HA TYR A 36 2.293 -2.309 22.594 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.486 -3.082 20.277 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.864 -4.011 21.714 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.228 -2.822 24.023 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.517 -1.860 20.217 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.738 -1.840 25.173 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.482 -0.877 21.367 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.465 -0.412 23.316 1.00 0.00 H new ATOM 524 N TYR A 37 3.867 -3.358 20.873 1.00 0.00 N ATOM 525 CA TYR A 37 4.949 -3.712 19.911 1.00 0.00 C ATOM 526 C TYR A 37 4.860 -5.202 19.569 1.00 0.00 C ATOM 527 O TYR A 37 4.706 -6.038 20.437 1.00 0.00 O ATOM 528 CB TYR A 37 6.311 -3.414 20.541 1.00 0.00 C ATOM 529 CG TYR A 37 6.420 -1.935 20.827 1.00 0.00 C ATOM 530 CD1 TYR A 37 6.787 -1.051 19.807 1.00 0.00 C ATOM 531 CD2 TYR A 37 6.154 -1.450 22.114 1.00 0.00 C ATOM 532 CE1 TYR A 37 6.889 0.321 20.072 1.00 0.00 C ATOM 533 CE2 TYR A 37 6.255 -0.079 22.378 1.00 0.00 C ATOM 534 CZ TYR A 37 6.623 0.807 21.357 1.00 0.00 C ATOM 535 OH TYR A 37 6.723 2.158 21.619 1.00 0.00 O ATOM 0 H TYR A 37 3.885 -3.870 21.755 1.00 0.00 H new ATOM 0 HA TYR A 37 4.833 -3.122 19.002 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.430 -3.983 21.463 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.111 -3.725 19.869 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.992 -1.426 18.815 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.871 -2.133 22.901 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.173 1.003 19.285 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.049 0.296 23.370 1.00 0.00 H new ATOM 0 HH TYR A 37 7.201 2.293 22.464 1.00 0.00 H new ATOM 545 N PHE A 38 4.955 -5.538 18.313 1.00 0.00 N ATOM 546 CA PHE A 38 4.896 -6.974 17.919 1.00 0.00 C ATOM 547 C PHE A 38 6.227 -7.384 17.284 1.00 0.00 C ATOM 548 O PHE A 38 6.744 -6.710 16.414 1.00 0.00 O ATOM 549 CB PHE A 38 3.765 -7.181 16.911 1.00 0.00 C ATOM 550 CG PHE A 38 2.441 -6.880 17.571 1.00 0.00 C ATOM 551 CD1 PHE A 38 1.742 -7.896 18.233 1.00 0.00 C ATOM 552 CD2 PHE A 38 1.913 -5.585 17.520 1.00 0.00 C ATOM 553 CE1 PHE A 38 0.514 -7.617 18.845 1.00 0.00 C ATOM 554 CE2 PHE A 38 0.684 -5.305 18.131 1.00 0.00 C ATOM 555 CZ PHE A 38 -0.015 -6.321 18.794 1.00 0.00 C ATOM 0 H PHE A 38 5.071 -4.881 17.542 1.00 0.00 H new ATOM 0 HA PHE A 38 4.711 -7.585 18.802 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.909 -6.531 16.048 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.775 -8.207 16.543 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.150 -8.895 18.272 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.453 -4.801 17.010 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.025 -8.401 19.356 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.276 -4.306 18.091 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.962 -6.105 19.266 1.00 0.00 H new ATOM 565 N SER A 39 6.786 -8.483 17.712 1.00 0.00 N ATOM 566 CA SER A 39 8.089 -8.926 17.143 1.00 0.00 C ATOM 567 C SER A 39 7.852 -10.076 16.161 1.00 0.00 C ATOM 568 O SER A 39 6.763 -10.607 16.066 1.00 0.00 O ATOM 569 CB SER A 39 9.004 -9.400 18.272 1.00 0.00 C ATOM 570 OG SER A 39 9.014 -10.821 18.302 1.00 0.00 O ATOM 0 H SER A 39 6.396 -9.093 18.431 1.00 0.00 H new ATOM 0 HA SER A 39 8.559 -8.093 16.621 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.015 -9.021 18.120 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.656 -9.007 19.227 1.00 0.00 H new ATOM 0 HG SER A 39 9.706 -11.130 18.924 1.00 0.00 H new ATOM 576 N PRO A 40 8.871 -10.455 15.439 1.00 0.00 N ATOM 577 CA PRO A 40 8.792 -11.569 14.452 1.00 0.00 C ATOM 578 C PRO A 40 8.310 -12.875 15.089 1.00 0.00 C ATOM 579 O PRO A 40 7.713 -13.711 14.440 1.00 0.00 O ATOM 580 CB PRO A 40 10.230 -11.714 13.954 1.00 0.00 C ATOM 581 CG PRO A 40 10.879 -10.397 14.224 1.00 0.00 C ATOM 582 CD PRO A 40 10.215 -9.859 15.488 1.00 0.00 C ATOM 0 HA PRO A 40 8.076 -11.357 13.658 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.746 -12.520 14.475 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.255 -11.954 12.891 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.954 -10.512 14.365 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.739 -9.713 13.387 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.756 -10.158 16.386 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.173 -8.770 15.489 1.00 0.00 H new ATOM 590 N SER A 41 8.564 -13.057 16.357 1.00 0.00 N ATOM 591 CA SER A 41 8.119 -14.308 17.033 1.00 0.00 C ATOM 592 C SER A 41 6.601 -14.276 17.216 1.00 0.00 C ATOM 593 O SER A 41 6.006 -15.213 17.712 1.00 0.00 O ATOM 594 CB SER A 41 8.796 -14.416 18.399 1.00 0.00 C ATOM 595 OG SER A 41 8.368 -13.338 19.223 1.00 0.00 O ATOM 0 H SER A 41 9.060 -12.394 16.953 1.00 0.00 H new ATOM 0 HA SER A 41 8.393 -15.169 16.423 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.546 -15.368 18.867 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.880 -14.392 18.283 1.00 0.00 H new ATOM 0 HG SER A 41 8.512 -12.490 18.753 1.00 0.00 H new ATOM 601 N GLY A 42 5.968 -13.205 16.822 1.00 0.00 N ATOM 602 CA GLY A 42 4.487 -13.117 16.966 1.00 0.00 C ATOM 603 C GLY A 42 4.130 -12.855 18.430 1.00 0.00 C ATOM 604 O GLY A 42 2.973 -12.769 18.791 1.00 0.00 O ATOM 0 H GLY A 42 6.413 -12.387 16.406 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.097 -12.317 16.337 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.023 -14.043 16.628 1.00 0.00 H new ATOM 608 N LYS A 43 5.115 -12.724 19.276 1.00 0.00 N ATOM 609 CA LYS A 43 4.831 -12.465 20.716 1.00 0.00 C ATOM 610 C LYS A 43 4.418 -11.003 20.899 1.00 0.00 C ATOM 611 O LYS A 43 4.948 -10.114 20.263 1.00 0.00 O ATOM 612 CB LYS A 43 6.087 -12.748 21.542 1.00 0.00 C ATOM 613 CG LYS A 43 5.758 -12.623 23.031 1.00 0.00 C ATOM 614 CD LYS A 43 6.996 -12.976 23.859 1.00 0.00 C ATOM 615 CE LYS A 43 6.659 -12.879 25.348 1.00 0.00 C ATOM 616 NZ LYS A 43 7.846 -13.288 26.153 1.00 0.00 N ATOM 0 H LYS A 43 6.104 -12.785 19.032 1.00 0.00 H new ATOM 0 HA LYS A 43 4.023 -13.115 21.050 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.461 -13.749 21.324 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.877 -12.047 21.273 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.433 -11.608 23.258 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.933 -13.287 23.289 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.333 -13.984 23.617 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.815 -12.299 23.616 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.369 -11.859 25.601 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.809 -13.520 25.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.618 -13.222 27.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.103 -14.268 25.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.646 -12.659 25.937 1.00 0.00 H new ATOM 630 N LYS A 44 3.475 -10.748 21.764 1.00 0.00 N ATOM 631 CA LYS A 44 3.020 -9.346 21.978 1.00 0.00 C ATOM 632 C LYS A 44 3.789 -8.734 23.151 1.00 0.00 C ATOM 633 O LYS A 44 4.069 -9.392 24.132 1.00 0.00 O ATOM 634 CB LYS A 44 1.522 -9.337 22.289 1.00 0.00 C ATOM 635 CG LYS A 44 1.050 -7.895 22.486 1.00 0.00 C ATOM 636 CD LYS A 44 -0.459 -7.882 22.742 1.00 0.00 C ATOM 637 CE LYS A 44 -0.939 -6.437 22.888 1.00 0.00 C ATOM 638 NZ LYS A 44 -2.420 -6.422 23.063 1.00 0.00 N ATOM 0 H LYS A 44 3.000 -11.450 22.332 1.00 0.00 H new ATOM 0 HA LYS A 44 3.207 -8.762 21.077 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.968 -9.804 21.475 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.323 -9.922 23.187 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.576 -7.441 23.326 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.285 -7.300 21.603 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.982 -8.369 21.919 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.690 -8.446 23.645 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.456 -5.967 23.744 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.660 -5.859 22.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.748 -5.440 23.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.872 -6.856 22.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.674 -6.960 23.916 1.00 0.00 H new ATOM 652 N PHE A 45 4.134 -7.479 23.057 1.00 0.00 N ATOM 653 CA PHE A 45 4.884 -6.827 24.167 1.00 0.00 C ATOM 654 C PHE A 45 4.152 -5.556 24.601 1.00 0.00 C ATOM 655 O PHE A 45 3.468 -4.925 23.820 1.00 0.00 O ATOM 656 CB PHE A 45 6.292 -6.468 23.689 1.00 0.00 C ATOM 657 CG PHE A 45 7.014 -7.722 23.260 1.00 0.00 C ATOM 658 CD1 PHE A 45 6.726 -8.307 22.021 1.00 0.00 C ATOM 659 CD2 PHE A 45 7.974 -8.299 24.100 1.00 0.00 C ATOM 660 CE1 PHE A 45 7.397 -9.469 21.622 1.00 0.00 C ATOM 661 CE2 PHE A 45 8.644 -9.462 23.702 1.00 0.00 C ATOM 662 CZ PHE A 45 8.355 -10.047 22.463 1.00 0.00 C ATOM 0 H PHE A 45 3.929 -6.877 22.259 1.00 0.00 H new ATOM 0 HA PHE A 45 4.951 -7.513 25.012 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.237 -5.765 22.858 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.844 -5.974 24.489 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.986 -7.862 21.373 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.198 -7.847 25.055 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.176 -9.919 20.666 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.384 -9.908 24.350 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.871 -10.945 22.156 1.00 0.00 H new ATOM 672 N ARG A 46 4.292 -5.174 25.841 1.00 0.00 N ATOM 673 CA ARG A 46 3.601 -3.946 26.326 1.00 0.00 C ATOM 674 C ARG A 46 4.571 -3.116 27.169 1.00 0.00 C ATOM 675 O ARG A 46 4.915 -3.480 28.275 1.00 0.00 O ATOM 676 CB ARG A 46 2.394 -4.342 27.179 1.00 0.00 C ATOM 677 CG ARG A 46 1.327 -4.982 26.288 1.00 0.00 C ATOM 678 CD ARG A 46 -0.021 -4.960 27.010 1.00 0.00 C ATOM 679 NE ARG A 46 0.180 -5.296 28.448 1.00 0.00 N ATOM 680 CZ ARG A 46 -0.767 -5.054 29.313 1.00 0.00 C ATOM 681 NH1 ARG A 46 -1.890 -4.519 28.918 1.00 0.00 N ATOM 682 NH2 ARG A 46 -0.591 -5.348 30.573 1.00 0.00 N ATOM 0 H ARG A 46 4.855 -5.659 26.539 1.00 0.00 H new ATOM 0 HA ARG A 46 3.264 -3.357 25.473 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.699 -5.041 27.958 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.986 -3.464 27.680 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.255 -4.442 25.344 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.606 -6.008 26.048 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.480 -3.976 26.916 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.703 -5.675 26.550 1.00 0.00 H new ATOM 0 HE ARG A 46 1.057 -5.715 28.756 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.027 -4.290 27.934 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.630 -4.330 29.594 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.287 -5.767 30.881 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.331 -5.159 31.249 1.00 0.00 H new ATOM 696 N SER A 47 5.013 -2.001 26.654 1.00 0.00 N ATOM 697 CA SER A 47 5.898 -1.109 27.455 1.00 0.00 C ATOM 698 C SER A 47 7.357 -1.353 27.063 1.00 0.00 C ATOM 699 O SER A 47 7.723 -2.429 26.633 1.00 0.00 O ATOM 700 CB SER A 47 5.714 -1.411 28.942 1.00 0.00 C ATOM 701 OG SER A 47 6.465 -2.570 29.282 1.00 0.00 O ATOM 0 H SER A 47 4.799 -1.670 25.713 1.00 0.00 H new ATOM 0 HA SER A 47 5.638 -0.069 27.260 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.043 -0.562 29.541 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.659 -1.569 29.165 1.00 0.00 H new ATOM 0 HG SER A 47 5.910 -3.368 29.158 1.00 0.00 H new ATOM 707 N LYS A 48 8.193 -0.361 27.206 1.00 0.00 N ATOM 708 CA LYS A 48 9.626 -0.536 26.840 1.00 0.00 C ATOM 709 C LYS A 48 10.212 -1.719 27.615 1.00 0.00 C ATOM 710 O LYS A 48 10.799 -2.616 27.044 1.00 0.00 O ATOM 711 CB LYS A 48 10.401 0.737 27.191 1.00 0.00 C ATOM 712 CG LYS A 48 11.891 0.411 27.314 1.00 0.00 C ATOM 713 CD LYS A 48 12.714 1.665 27.011 1.00 0.00 C ATOM 714 CE LYS A 48 14.162 1.445 27.452 1.00 0.00 C ATOM 715 NZ LYS A 48 14.303 1.800 28.893 1.00 0.00 N ATOM 0 H LYS A 48 7.945 0.563 27.560 1.00 0.00 H new ATOM 0 HA LYS A 48 9.706 -0.728 25.770 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.246 1.493 26.422 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.031 1.154 28.128 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.114 0.051 28.318 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.158 -0.388 26.622 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.677 1.888 25.945 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.291 2.525 27.531 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.448 0.405 27.293 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.834 2.056 26.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.288 1.650 29.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.047 2.798 29.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.673 1.199 29.462 1.00 0.00 H new ATOM 729 N PRO A 49 10.049 -1.715 28.910 1.00 0.00 N ATOM 730 CA PRO A 49 10.586 -2.786 29.796 1.00 0.00 C ATOM 731 C PRO A 49 10.236 -4.189 29.291 1.00 0.00 C ATOM 732 O PRO A 49 10.975 -5.133 29.489 1.00 0.00 O ATOM 733 CB PRO A 49 9.909 -2.519 31.141 1.00 0.00 C ATOM 734 CG PRO A 49 8.889 -1.462 30.870 1.00 0.00 C ATOM 735 CD PRO A 49 9.330 -0.682 29.671 1.00 0.00 C ATOM 0 HA PRO A 49 11.675 -2.762 29.843 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.443 -3.423 31.532 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.632 -2.185 31.885 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.913 -1.913 30.692 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.784 -0.805 31.733 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.488 -0.271 29.114 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.974 0.156 29.939 1.00 0.00 H new ATOM 743 N GLN A 50 9.115 -4.333 28.639 1.00 0.00 N ATOM 744 CA GLN A 50 8.721 -5.673 28.120 1.00 0.00 C ATOM 745 C GLN A 50 9.607 -6.040 26.927 1.00 0.00 C ATOM 746 O GLN A 50 10.250 -7.071 26.913 1.00 0.00 O ATOM 747 CB GLN A 50 7.258 -5.639 27.676 1.00 0.00 C ATOM 748 CG GLN A 50 6.707 -7.065 27.622 1.00 0.00 C ATOM 749 CD GLN A 50 6.416 -7.553 29.042 1.00 0.00 C ATOM 750 OE1 GLN A 50 5.978 -8.670 29.235 1.00 0.00 O ATOM 751 NE2 GLN A 50 6.643 -6.759 30.052 1.00 0.00 N ATOM 0 H GLN A 50 8.455 -3.580 28.443 1.00 0.00 H new ATOM 0 HA GLN A 50 8.845 -6.417 28.907 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.671 -5.037 28.369 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.175 -5.169 26.696 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.797 -7.092 27.023 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.426 -7.726 27.139 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.011 -5.821 29.891 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.453 -7.076 31.003 1.00 0.00 H new ATOM 760 N LEU A 51 9.643 -5.206 25.924 1.00 0.00 N ATOM 761 CA LEU A 51 10.504 -5.498 24.743 1.00 0.00 C ATOM 762 C LEU A 51 11.976 -5.396 25.147 1.00 0.00 C ATOM 763 O LEU A 51 12.795 -6.204 24.755 1.00 0.00 O ATOM 764 CB LEU A 51 10.208 -4.486 23.634 1.00 0.00 C ATOM 765 CG LEU A 51 10.720 -5.027 22.299 1.00 0.00 C ATOM 766 CD1 LEU A 51 10.155 -4.184 21.154 1.00 0.00 C ATOM 767 CD2 LEU A 51 12.249 -4.958 22.274 1.00 0.00 C ATOM 0 H LEU A 51 9.114 -4.336 25.871 1.00 0.00 H new ATOM 0 HA LEU A 51 10.296 -6.505 24.381 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.136 -4.298 23.575 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.686 -3.533 23.860 1.00 0.00 H new ATOM 0 HG LEU A 51 10.399 -6.062 22.181 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.521 -4.571 20.203 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.066 -4.231 21.170 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.475 -3.149 21.272 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.615 -5.344 21.322 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.568 -3.923 22.393 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.654 -5.559 23.089 1.00 0.00 H new ATOM 779 N ALA A 52 12.322 -4.409 25.927 1.00 0.00 N ATOM 780 CA ALA A 52 13.742 -4.252 26.349 1.00 0.00 C ATOM 781 C ALA A 52 14.279 -5.594 26.850 1.00 0.00 C ATOM 782 O ALA A 52 15.340 -6.035 26.456 1.00 0.00 O ATOM 783 CB ALA A 52 13.828 -3.217 27.472 1.00 0.00 C ATOM 0 H ALA A 52 11.681 -3.704 26.291 1.00 0.00 H new ATOM 0 HA ALA A 52 14.338 -3.918 25.500 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.867 -3.101 27.782 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.447 -2.260 27.115 1.00 0.00 H new ATOM 0 HB3 ALA A 52 13.231 -3.551 28.321 1.00 0.00 H new ATOM 789 N ARG A 53 13.556 -6.245 27.720 1.00 0.00 N ATOM 790 CA ARG A 53 14.026 -7.557 28.247 1.00 0.00 C ATOM 791 C ARG A 53 14.200 -8.542 27.089 1.00 0.00 C ATOM 792 O ARG A 53 15.046 -9.413 27.126 1.00 0.00 O ATOM 793 CB ARG A 53 12.993 -8.106 29.235 1.00 0.00 C ATOM 794 CG ARG A 53 13.047 -7.295 30.530 1.00 0.00 C ATOM 795 CD ARG A 53 12.047 -7.869 31.535 1.00 0.00 C ATOM 796 NE ARG A 53 10.661 -7.633 31.046 1.00 0.00 N ATOM 797 CZ ARG A 53 9.656 -8.242 31.615 1.00 0.00 C ATOM 798 NH1 ARG A 53 9.867 -9.051 32.616 1.00 0.00 N ATOM 799 NH2 ARG A 53 8.441 -8.040 31.183 1.00 0.00 N ATOM 0 H ARG A 53 12.660 -5.925 28.088 1.00 0.00 H new ATOM 0 HA ARG A 53 14.982 -7.424 28.754 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.995 -8.053 28.801 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.195 -9.157 29.442 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.054 -7.323 30.947 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.815 -6.250 30.327 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.220 -8.937 31.667 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.185 -7.401 32.509 1.00 0.00 H new ATOM 0 HE ARG A 53 10.496 -6.996 30.267 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.817 -9.208 32.954 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.082 -9.527 33.061 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.277 -7.406 30.401 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.656 -8.516 31.628 1.00 0.00 H new ATOM 813 N TYR A 54 13.408 -8.413 26.062 1.00 0.00 N ATOM 814 CA TYR A 54 13.532 -9.343 24.904 1.00 0.00 C ATOM 815 C TYR A 54 14.914 -9.185 24.267 1.00 0.00 C ATOM 816 O TYR A 54 15.624 -10.147 24.054 1.00 0.00 O ATOM 817 CB TYR A 54 12.454 -9.017 23.869 1.00 0.00 C ATOM 818 CG TYR A 54 12.264 -10.201 22.951 1.00 0.00 C ATOM 819 CD1 TYR A 54 11.846 -11.431 23.473 1.00 0.00 C ATOM 820 CD2 TYR A 54 12.504 -10.069 21.579 1.00 0.00 C ATOM 821 CE1 TYR A 54 11.669 -12.529 22.622 1.00 0.00 C ATOM 822 CE2 TYR A 54 12.329 -11.166 20.728 1.00 0.00 C ATOM 823 CZ TYR A 54 11.911 -12.396 21.250 1.00 0.00 C ATOM 824 OH TYR A 54 11.737 -13.479 20.411 1.00 0.00 O ATOM 0 H TYR A 54 12.680 -7.704 25.974 1.00 0.00 H new ATOM 0 HA TYR A 54 13.406 -10.369 25.249 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.516 -8.776 24.369 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.742 -8.138 23.292 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.660 -11.533 24.532 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.825 -9.120 21.176 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.346 -13.478 23.024 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.516 -11.064 19.669 1.00 0.00 H new ATOM 0 HH TYR A 54 11.946 -13.216 19.490 1.00 0.00 H new ATOM 834 N LEU A 55 15.301 -7.977 23.961 1.00 0.00 N ATOM 835 CA LEU A 55 16.647 -7.756 23.358 1.00 0.00 C ATOM 836 C LEU A 55 17.631 -7.325 24.446 1.00 0.00 C ATOM 837 O LEU A 55 18.649 -7.954 24.659 1.00 0.00 O ATOM 838 CB LEU A 55 16.554 -6.663 22.292 1.00 0.00 C ATOM 839 CG LEU A 55 16.395 -7.305 20.914 1.00 0.00 C ATOM 840 CD1 LEU A 55 15.054 -8.039 20.842 1.00 0.00 C ATOM 841 CD2 LEU A 55 16.438 -6.219 19.838 1.00 0.00 C ATOM 0 H LEU A 55 14.744 -7.134 24.102 1.00 0.00 H new ATOM 0 HA LEU A 55 16.996 -8.682 22.901 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.707 -6.009 22.500 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.449 -6.042 22.314 1.00 0.00 H new ATOM 0 HG LEU A 55 17.206 -8.014 20.749 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.942 -8.496 19.859 1.00 0.00 H new ATOM 0 HD12 LEU A 55 15.022 -8.813 21.608 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.242 -7.331 21.007 1.00 0.00 H new ATOM 0 HD21 LEU A 55 16.325 -6.676 18.855 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.627 -5.510 20.004 1.00 0.00 H new ATOM 0 HD23 LEU A 55 17.393 -5.696 19.887 1.00 0.00 H new ATOM 853 N GLY A 56 17.339 -6.258 25.138 1.00 0.00 N ATOM 854 CA GLY A 56 18.240 -5.812 26.238 1.00 0.00 C ATOM 855 C GLY A 56 19.240 -4.789 25.696 1.00 0.00 C ATOM 856 O GLY A 56 18.890 -3.667 25.390 1.00 0.00 O ATOM 0 H GLY A 56 16.515 -5.676 24.989 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.655 -5.372 27.046 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.770 -6.667 26.658 1.00 0.00 H new ATOM 860 N ASN A 57 20.483 -5.167 25.574 1.00 0.00 N ATOM 861 CA ASN A 57 21.515 -4.196 25.113 1.00 0.00 C ATOM 862 C ASN A 57 21.645 -4.272 23.590 1.00 0.00 C ATOM 863 O ASN A 57 22.183 -3.386 22.958 1.00 0.00 O ATOM 864 CB ASN A 57 22.862 -4.540 25.755 1.00 0.00 C ATOM 865 CG ASN A 57 22.796 -4.262 27.258 1.00 0.00 C ATOM 866 OD1 ASN A 57 21.999 -3.459 27.705 1.00 0.00 O ATOM 867 ND2 ASN A 57 23.605 -4.895 28.063 1.00 0.00 N ATOM 0 H ASN A 57 20.828 -6.106 25.774 1.00 0.00 H new ATOM 0 HA ASN A 57 21.219 -3.188 25.403 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.104 -5.588 25.578 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.656 -3.948 25.299 1.00 0.00 H new ATOM 0 HD21 ASN A 57 23.569 -4.716 29.067 1.00 0.00 H new ATOM 0 HD22 ASN A 57 24.273 -5.568 27.689 1.00 0.00 H new ATOM 874 N ALA A 58 21.153 -5.325 22.996 1.00 0.00 N ATOM 875 CA ALA A 58 21.265 -5.465 21.516 1.00 0.00 C ATOM 876 C ALA A 58 20.754 -4.189 20.844 1.00 0.00 C ATOM 877 O ALA A 58 21.262 -3.768 19.824 1.00 0.00 O ATOM 878 CB ALA A 58 20.427 -6.658 21.053 1.00 0.00 C ATOM 0 H ALA A 58 20.679 -6.093 23.471 1.00 0.00 H new ATOM 0 HA ALA A 58 22.308 -5.626 21.243 1.00 0.00 H new ATOM 0 HB1 ALA A 58 20.508 -6.761 19.971 1.00 0.00 H new ATOM 0 HB2 ALA A 58 20.791 -7.566 21.533 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.384 -6.497 21.325 1.00 0.00 H new ATOM 884 N VAL A 59 19.752 -3.571 21.407 1.00 0.00 N ATOM 885 CA VAL A 59 19.206 -2.326 20.796 1.00 0.00 C ATOM 886 C VAL A 59 18.904 -1.308 21.898 1.00 0.00 C ATOM 887 O VAL A 59 18.368 -1.643 22.936 1.00 0.00 O ATOM 888 CB VAL A 59 17.919 -2.654 20.037 1.00 0.00 C ATOM 889 CG1 VAL A 59 17.194 -1.356 19.679 1.00 0.00 C ATOM 890 CG2 VAL A 59 18.264 -3.415 18.756 1.00 0.00 C ATOM 0 H VAL A 59 19.288 -3.874 22.263 1.00 0.00 H new ATOM 0 HA VAL A 59 19.938 -1.907 20.106 1.00 0.00 H new ATOM 0 HB VAL A 59 17.274 -3.270 20.663 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.277 -1.589 19.138 1.00 0.00 H new ATOM 0 HG12 VAL A 59 16.949 -0.812 20.592 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.839 -0.740 19.052 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.348 -3.649 18.214 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.909 -2.799 18.129 1.00 0.00 H new ATOM 0 HG23 VAL A 59 18.782 -4.340 19.010 1.00 0.00 H new ATOM 900 N ASP A 60 19.245 -0.067 21.681 1.00 0.00 N ATOM 901 CA ASP A 60 18.969 0.972 22.714 1.00 0.00 C ATOM 902 C ASP A 60 17.668 1.701 22.368 1.00 0.00 C ATOM 903 O ASP A 60 17.575 2.380 21.366 1.00 0.00 O ATOM 904 CB ASP A 60 20.123 1.976 22.748 1.00 0.00 C ATOM 905 CG ASP A 60 19.876 2.999 23.857 1.00 0.00 C ATOM 906 OD1 ASP A 60 19.122 2.690 24.765 1.00 0.00 O ATOM 907 OD2 ASP A 60 20.446 4.076 23.780 1.00 0.00 O ATOM 0 H ASP A 60 19.702 0.272 20.835 1.00 0.00 H new ATOM 0 HA ASP A 60 18.871 0.498 23.691 1.00 0.00 H new ATOM 0 HB2 ASP A 60 21.066 1.457 22.921 1.00 0.00 H new ATOM 0 HB3 ASP A 60 20.209 2.481 21.786 1.00 0.00 H new ATOM 912 N LEU A 61 16.665 1.567 23.192 1.00 0.00 N ATOM 913 CA LEU A 61 15.370 2.247 22.906 1.00 0.00 C ATOM 914 C LEU A 61 15.328 3.590 23.638 1.00 0.00 C ATOM 915 O LEU A 61 14.304 4.239 23.704 1.00 0.00 O ATOM 916 CB LEU A 61 14.215 1.367 23.388 1.00 0.00 C ATOM 917 CG LEU A 61 14.252 0.028 22.651 1.00 0.00 C ATOM 918 CD1 LEU A 61 13.195 -0.909 23.239 1.00 0.00 C ATOM 919 CD2 LEU A 61 13.960 0.256 21.166 1.00 0.00 C ATOM 0 H LEU A 61 16.686 1.016 24.050 1.00 0.00 H new ATOM 0 HA LEU A 61 15.276 2.414 21.833 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.292 1.205 24.463 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.263 1.867 23.208 1.00 0.00 H new ATOM 0 HG LEU A 61 15.239 -0.421 22.764 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.222 -1.863 22.713 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.401 -1.072 24.297 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.208 -0.460 23.126 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.986 -0.698 20.639 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.973 0.705 21.054 1.00 0.00 H new ATOM 0 HD23 LEU A 61 14.712 0.923 20.746 1.00 0.00 H new ATOM 931 N SER A 62 16.434 4.011 24.189 1.00 0.00 N ATOM 932 CA SER A 62 16.454 5.307 24.923 1.00 0.00 C ATOM 933 C SER A 62 16.004 6.431 23.988 1.00 0.00 C ATOM 934 O SER A 62 15.238 7.297 24.363 1.00 0.00 O ATOM 935 CB SER A 62 17.873 5.592 25.416 1.00 0.00 C ATOM 936 OG SER A 62 18.250 4.599 26.360 1.00 0.00 O ATOM 0 H SER A 62 17.324 3.513 24.162 1.00 0.00 H new ATOM 0 HA SER A 62 15.777 5.251 25.776 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.568 5.595 24.577 1.00 0.00 H new ATOM 0 HB3 SER A 62 17.920 6.581 25.872 1.00 0.00 H new ATOM 0 HG SER A 62 18.700 3.862 25.897 1.00 0.00 H new ATOM 942 N CYS A 63 16.472 6.424 22.769 1.00 0.00 N ATOM 943 CA CYS A 63 16.069 7.491 21.810 1.00 0.00 C ATOM 944 C CYS A 63 14.822 7.043 21.045 1.00 0.00 C ATOM 945 O CYS A 63 14.451 7.626 20.045 1.00 0.00 O ATOM 946 CB CYS A 63 17.209 7.746 20.822 1.00 0.00 C ATOM 947 SG CYS A 63 18.701 8.217 21.731 1.00 0.00 S ATOM 0 H CYS A 63 17.116 5.726 22.396 1.00 0.00 H new ATOM 0 HA CYS A 63 15.851 8.408 22.357 1.00 0.00 H new ATOM 0 HB2 CYS A 63 17.398 6.851 20.230 1.00 0.00 H new ATOM 0 HB3 CYS A 63 16.930 8.536 20.125 1.00 0.00 H new ATOM 0 HG CYS A 63 19.671 8.432 20.892 1.00 0.00 H new ATOM 953 N PHE A 64 14.170 6.011 21.507 1.00 0.00 N ATOM 954 CA PHE A 64 12.948 5.525 20.805 1.00 0.00 C ATOM 955 C PHE A 64 11.706 5.951 21.590 1.00 0.00 C ATOM 956 O PHE A 64 11.585 5.686 22.769 1.00 0.00 O ATOM 957 CB PHE A 64 12.990 3.999 20.704 1.00 0.00 C ATOM 958 CG PHE A 64 11.776 3.511 19.951 1.00 0.00 C ATOM 959 CD1 PHE A 64 11.748 3.574 18.553 1.00 0.00 C ATOM 960 CD2 PHE A 64 10.678 2.996 20.651 1.00 0.00 C ATOM 961 CE1 PHE A 64 10.622 3.121 17.855 1.00 0.00 C ATOM 962 CE2 PHE A 64 9.553 2.543 19.952 1.00 0.00 C ATOM 963 CZ PHE A 64 9.524 2.606 18.554 1.00 0.00 C ATOM 0 H PHE A 64 14.431 5.483 22.340 1.00 0.00 H new ATOM 0 HA PHE A 64 12.909 5.954 19.804 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.899 3.683 20.193 1.00 0.00 H new ATOM 0 HB3 PHE A 64 13.014 3.558 21.701 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.594 3.972 18.013 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.699 2.948 21.730 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.601 3.169 16.776 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.707 2.145 20.492 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.655 2.258 18.015 1.00 0.00 H new ATOM 973 N ASP A 65 10.782 6.610 20.946 1.00 0.00 N ATOM 974 CA ASP A 65 9.545 7.043 21.654 1.00 0.00 C ATOM 975 C ASP A 65 8.469 5.966 21.504 1.00 0.00 C ATOM 976 O ASP A 65 8.746 4.846 21.126 1.00 0.00 O ATOM 977 CB ASP A 65 9.043 8.355 21.048 1.00 0.00 C ATOM 978 CG ASP A 65 9.082 8.260 19.522 1.00 0.00 C ATOM 979 OD1 ASP A 65 8.775 7.199 19.005 1.00 0.00 O ATOM 980 OD2 ASP A 65 9.418 9.251 18.895 1.00 0.00 O ATOM 0 H ASP A 65 10.831 6.867 19.960 1.00 0.00 H new ATOM 0 HA ASP A 65 9.764 7.193 22.711 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.026 8.558 21.384 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.663 9.185 21.387 1.00 0.00 H new ATOM 985 N PHE A 66 7.241 6.298 21.796 1.00 0.00 N ATOM 986 CA PHE A 66 6.149 5.289 21.680 1.00 0.00 C ATOM 987 C PHE A 66 5.018 5.859 20.821 1.00 0.00 C ATOM 988 O PHE A 66 4.495 5.197 19.947 1.00 0.00 O ATOM 989 CB PHE A 66 5.613 4.955 23.073 1.00 0.00 C ATOM 990 CG PHE A 66 6.764 4.596 23.983 1.00 0.00 C ATOM 991 CD1 PHE A 66 7.564 5.605 24.532 1.00 0.00 C ATOM 992 CD2 PHE A 66 7.032 3.253 24.276 1.00 0.00 C ATOM 993 CE1 PHE A 66 8.631 5.273 25.375 1.00 0.00 C ATOM 994 CE2 PHE A 66 8.099 2.921 25.120 1.00 0.00 C ATOM 995 CZ PHE A 66 8.898 3.930 25.669 1.00 0.00 C ATOM 0 H PHE A 66 6.947 7.223 22.109 1.00 0.00 H new ATOM 0 HA PHE A 66 6.538 4.384 21.214 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.067 5.807 23.478 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.909 4.125 23.014 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.358 6.641 24.305 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.416 2.474 23.851 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.248 6.052 25.798 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.305 1.886 25.347 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.721 3.673 26.320 1.00 0.00 H new ATOM 1005 N ARG A 67 4.636 7.084 21.064 1.00 0.00 N ATOM 1006 CA ARG A 67 3.524 7.686 20.276 1.00 0.00 C ATOM 1007 C ARG A 67 3.955 7.835 18.816 1.00 0.00 C ATOM 1008 O ARG A 67 3.196 7.575 17.904 1.00 0.00 O ATOM 1009 CB ARG A 67 3.179 9.062 20.849 1.00 0.00 C ATOM 1010 CG ARG A 67 2.349 8.892 22.123 1.00 0.00 C ATOM 1011 CD ARG A 67 2.681 10.019 23.103 1.00 0.00 C ATOM 1012 NE ARG A 67 3.872 9.639 23.913 1.00 0.00 N ATOM 1013 CZ ARG A 67 3.825 8.594 24.693 1.00 0.00 C ATOM 1014 NH1 ARG A 67 2.734 7.881 24.763 1.00 0.00 N ATOM 1015 NH2 ARG A 67 4.869 8.261 25.402 1.00 0.00 N ATOM 0 H ARG A 67 5.046 7.692 21.773 1.00 0.00 H new ATOM 0 HA ARG A 67 2.648 7.039 20.332 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.092 9.615 21.068 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.622 9.644 20.115 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.286 8.907 21.882 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.559 7.925 22.580 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.878 10.942 22.558 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.830 10.210 23.756 1.00 0.00 H new ATOM 0 HE ARG A 67 4.725 10.196 23.858 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.919 8.141 24.208 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.697 7.064 25.373 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.722 8.818 25.346 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.832 7.444 26.012 1.00 0.00 H new ATOM 1029 N THR A 68 5.171 8.252 18.586 1.00 0.00 N ATOM 1030 CA THR A 68 5.646 8.426 17.185 1.00 0.00 C ATOM 1031 C THR A 68 6.649 7.321 16.844 1.00 0.00 C ATOM 1032 O THR A 68 7.181 7.268 15.754 1.00 0.00 O ATOM 1033 CB THR A 68 6.324 9.792 17.043 1.00 0.00 C ATOM 1034 OG1 THR A 68 7.431 9.863 17.929 1.00 0.00 O ATOM 1035 CG2 THR A 68 5.323 10.898 17.382 1.00 0.00 C ATOM 0 H THR A 68 5.855 8.479 19.308 1.00 0.00 H new ATOM 0 HA THR A 68 4.797 8.368 16.504 1.00 0.00 H new ATOM 0 HB THR A 68 6.671 9.922 16.018 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.225 9.490 17.492 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.806 11.870 17.281 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.474 10.842 16.700 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.974 10.771 18.407 1.00 0.00 H new ATOM 1043 N GLY A 69 6.909 6.438 17.770 1.00 0.00 N ATOM 1044 CA GLY A 69 7.883 5.344 17.501 1.00 0.00 C ATOM 1045 C GLY A 69 9.059 5.892 16.690 1.00 0.00 C ATOM 1046 O GLY A 69 9.752 5.160 16.012 1.00 0.00 O ATOM 0 H GLY A 69 6.489 6.428 18.700 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.241 4.923 18.440 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.396 4.536 16.955 1.00 0.00 H new ATOM 1050 N LYS A 70 9.289 7.174 16.754 1.00 0.00 N ATOM 1051 CA LYS A 70 10.411 7.770 15.974 1.00 0.00 C ATOM 1052 C LYS A 70 11.721 7.577 16.739 1.00 0.00 C ATOM 1053 O LYS A 70 11.726 7.275 17.916 1.00 0.00 O ATOM 1054 CB LYS A 70 10.154 9.264 15.772 1.00 0.00 C ATOM 1055 CG LYS A 70 10.669 9.689 14.394 1.00 0.00 C ATOM 1056 CD LYS A 70 10.265 11.140 14.123 1.00 0.00 C ATOM 1057 CE LYS A 70 11.162 12.079 14.931 1.00 0.00 C ATOM 1058 NZ LYS A 70 10.971 13.479 14.456 1.00 0.00 N ATOM 0 H LYS A 70 8.749 7.835 17.312 1.00 0.00 H new ATOM 0 HA LYS A 70 10.481 7.279 15.003 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.088 9.475 15.854 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.654 9.839 16.552 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.754 9.589 14.353 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.259 9.036 13.624 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.354 11.361 13.059 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.221 11.295 14.394 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.920 12.007 15.991 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.206 11.786 14.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.581 14.118 15.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.222 13.541 13.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.977 13.756 14.582 1.00 0.00 H new ATOM 1072 N MET A 71 12.835 7.747 16.079 1.00 0.00 N ATOM 1073 CA MET A 71 14.143 7.571 16.768 1.00 0.00 C ATOM 1074 C MET A 71 14.938 8.876 16.696 1.00 0.00 C ATOM 1075 O MET A 71 14.966 9.542 15.680 1.00 0.00 O ATOM 1076 CB MET A 71 14.934 6.454 16.084 1.00 0.00 C ATOM 1077 CG MET A 71 16.302 6.310 16.755 1.00 0.00 C ATOM 1078 SD MET A 71 17.180 4.899 16.038 1.00 0.00 S ATOM 1079 CE MET A 71 17.055 3.803 17.474 1.00 0.00 C ATOM 0 H MET A 71 12.894 8.000 15.093 1.00 0.00 H new ATOM 0 HA MET A 71 13.971 7.308 17.812 1.00 0.00 H new ATOM 0 HB2 MET A 71 14.385 5.514 16.148 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.059 6.679 15.025 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.884 7.222 16.618 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.179 6.168 17.829 1.00 0.00 H new ATOM 0 HE1 MET A 71 17.379 2.800 17.196 1.00 0.00 H new ATOM 0 HE2 MET A 71 17.690 4.180 18.276 1.00 0.00 H new ATOM 0 HE3 MET A 71 16.021 3.768 17.816 1.00 0.00 H new