USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 369 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 29 ASN : amide:sc= -2.79! C(o=-2.7!,f=-4.7!) USER MOD Set 1.2: A 34 GLN : amide:sc= 0.093 X(o=-2.7,f=-2.9) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.28 K(o=-0.28,f=-0.91) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00363 USER MOD Single : A 18 SER OG : rot 71:sc= -1.53! USER MOD Single : A 20 THR OG1 : rot 14:sc= -2.08! USER MOD Single : A 21 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00516) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -77:sc= 1.2 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0.389 K(o=0.39,f=-0.78) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0.491 K(o=0.49,f=-0.7) USER MOD Single : A 48 ASN : amide:sc= -2.75! C(o=-2.8!,f=-4.2!) USER MOD Single : A 49 ASN : amide:sc= -5.24! C(o=-5.2!,f=-11!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc=-0.00307 K(o=-0.0031,f=-1.1) USER MOD Single : A 58 GLN : amide:sc= -0.0831 X(o=-0.083,f=-0.14) USER MOD Single : A 59 THR OG1 : rot 108:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 9 5.320 9.321 -18.263 1.00 63.43 N ATOM 135 CA TYR A 9 6.128 10.519 -17.991 1.00 1.30 C ATOM 136 C TYR A 9 7.476 10.459 -18.629 1.00 31.05 C ATOM 137 O TYR A 9 7.924 11.421 -19.219 1.00 24.23 O ATOM 138 CB TYR A 9 6.253 10.748 -16.513 1.00 4.44 C ATOM 139 CG TYR A 9 4.933 11.082 -15.910 1.00 32.15 C ATOM 140 CD1 TYR A 9 3.989 11.733 -16.680 1.00 4.13 C ATOM 141 CD2 TYR A 9 4.613 10.750 -14.607 1.00 30.31 C ATOM 142 CE1 TYR A 9 2.753 12.055 -16.173 1.00 64.13 C ATOM 143 CE2 TYR A 9 3.378 11.064 -14.084 1.00 34.34 C ATOM 144 CZ TYR A 9 2.451 11.718 -14.872 1.00 62.43 C ATOM 145 OH TYR A 9 1.213 12.031 -14.354 1.00 35.04 O ATOM 0 HA TYR A 9 5.603 11.363 -18.438 1.00 1.30 H new ATOM 0 HB2 TYR A 9 6.659 9.856 -16.036 1.00 4.44 H new ATOM 0 HB3 TYR A 9 6.958 11.558 -16.325 1.00 4.44 H new ATOM 0 HD1 TYR A 9 4.227 11.994 -17.701 1.00 4.13 H new ATOM 0 HD2 TYR A 9 5.339 10.239 -13.992 1.00 30.31 H new ATOM 0 HE1 TYR A 9 2.027 12.566 -16.787 1.00 64.13 H new ATOM 0 HE2 TYR A 9 3.136 10.801 -13.065 1.00 34.34 H new ATOM 0 HH TYR A 9 1.160 11.724 -13.425 1.00 35.04 H new ATOM 155 N CYS A 10 8.132 9.342 -18.465 1.00 22.54 N ATOM 156 CA CYS A 10 9.398 9.144 -19.083 1.00 32.12 C ATOM 157 C CYS A 10 9.239 9.302 -20.620 1.00 43.42 C ATOM 158 O CYS A 10 9.965 10.033 -21.235 1.00 32.13 O ATOM 159 CB CYS A 10 9.845 7.694 -18.858 1.00 72.51 C ATOM 160 SG CYS A 10 9.902 7.102 -17.125 1.00 31.24 S ATOM 0 H CYS A 10 7.802 8.557 -17.904 1.00 22.54 H new ATOM 0 HA CYS A 10 10.109 9.859 -18.669 1.00 32.12 H new ATOM 0 HB2 CYS A 10 9.174 7.042 -19.417 1.00 72.51 H new ATOM 0 HB3 CYS A 10 10.839 7.575 -19.290 1.00 72.51 H new ATOM 165 N ASN A 11 8.198 8.760 -21.186 1.00 33.34 N ATOM 166 CA ASN A 11 8.089 8.642 -22.646 1.00 72.32 C ATOM 167 C ASN A 11 7.422 9.850 -23.266 1.00 70.32 C ATOM 168 O ASN A 11 7.161 9.857 -24.477 1.00 12.03 O ATOM 169 CB ASN A 11 7.353 7.415 -23.121 1.00 12.03 C ATOM 170 CG ASN A 11 7.867 6.079 -22.617 1.00 32.02 C ATOM 171 OD1 ASN A 11 9.041 5.909 -22.320 1.00 72.21 O ATOM 172 ND2 ASN A 11 6.983 5.109 -22.534 1.00 41.11 N ATOM 0 H ASN A 11 7.400 8.386 -20.672 1.00 33.34 H new ATOM 0 HA ASN A 11 9.126 8.563 -22.972 1.00 72.32 H new ATOM 0 HB2 ASN A 11 6.307 7.510 -22.829 1.00 12.03 H new ATOM 0 HB3 ASN A 11 7.380 7.402 -24.211 1.00 12.03 H new ATOM 0 HD21 ASN A 11 7.270 4.184 -22.215 1.00 41.11 H new ATOM 0 HD22 ASN A 11 6.011 5.282 -22.789 1.00 41.11 H new ATOM 179 N LEU A 12 7.066 10.831 -22.462 1.00 12.54 N ATOM 180 CA LEU A 12 6.340 11.986 -22.960 1.00 24.23 C ATOM 181 C LEU A 12 7.278 12.965 -23.656 1.00 35.41 C ATOM 182 O LEU A 12 8.247 13.447 -23.062 1.00 65.50 O ATOM 183 CB LEU A 12 5.545 12.698 -21.857 1.00 62.13 C ATOM 184 CG LEU A 12 4.374 11.955 -21.226 1.00 24.22 C ATOM 185 CD1 LEU A 12 3.691 12.846 -20.205 1.00 1.33 C ATOM 186 CD2 LEU A 12 3.385 11.524 -22.283 1.00 25.45 C ATOM 0 H LEU A 12 7.266 10.854 -21.462 1.00 12.54 H new ATOM 0 HA LEU A 12 5.621 11.612 -23.688 1.00 24.23 H new ATOM 0 HB2 LEU A 12 6.241 12.962 -21.061 1.00 62.13 H new ATOM 0 HB3 LEU A 12 5.164 13.632 -22.270 1.00 62.13 H new ATOM 0 HG LEU A 12 4.754 11.063 -20.728 1.00 24.22 H new ATOM 0 HD11 LEU A 12 2.854 12.310 -19.757 1.00 1.33 H new ATOM 0 HD12 LEU A 12 4.404 13.122 -19.428 1.00 1.33 H new ATOM 0 HD13 LEU A 12 3.324 13.747 -20.696 1.00 1.33 H new ATOM 0 HD21 LEU A 12 2.556 10.995 -21.812 1.00 25.45 H new ATOM 0 HD22 LEU A 12 3.005 12.402 -22.805 1.00 25.45 H new ATOM 0 HD23 LEU A 12 3.879 10.863 -22.996 1.00 25.45 H new ATOM 198 N PRO A 13 6.986 13.266 -24.930 1.00 32.52 N ATOM 199 CA PRO A 13 7.805 14.154 -25.752 1.00 24.24 C ATOM 200 C PRO A 13 7.671 15.634 -25.350 1.00 15.05 C ATOM 201 O PRO A 13 6.672 16.058 -24.774 1.00 44.40 O ATOM 202 CB PRO A 13 7.259 13.915 -27.157 1.00 22.45 C ATOM 203 CG PRO A 13 5.848 13.506 -26.960 1.00 74.10 C ATOM 204 CD PRO A 13 5.814 12.749 -25.676 1.00 61.14 C ATOM 0 HA PRO A 13 8.870 13.945 -25.649 1.00 24.24 H new ATOM 0 HB2 PRO A 13 7.326 14.817 -27.765 1.00 22.45 H new ATOM 0 HB3 PRO A 13 7.825 13.140 -27.673 1.00 22.45 H new ATOM 0 HG2 PRO A 13 5.192 14.376 -26.918 1.00 74.10 H new ATOM 0 HG3 PRO A 13 5.502 12.886 -27.787 1.00 74.10 H new ATOM 0 HD2 PRO A 13 4.885 12.924 -25.133 1.00 61.14 H new ATOM 0 HD3 PRO A 13 5.888 11.674 -25.843 1.00 61.14 H new ATOM 212 N ALA A 14 8.713 16.384 -25.634 1.00 2.03 N ATOM 213 CA ALA A 14 8.798 17.791 -25.274 1.00 1.41 C ATOM 214 C ALA A 14 7.794 18.671 -26.035 1.00 60.03 C ATOM 215 O ALA A 14 7.654 18.545 -27.265 1.00 44.23 O ATOM 216 CB ALA A 14 10.199 18.285 -25.518 1.00 42.21 C ATOM 0 H ALA A 14 9.536 16.035 -26.126 1.00 2.03 H new ATOM 0 HA ALA A 14 8.542 17.868 -24.217 1.00 1.41 H new ATOM 0 HB1 ALA A 14 10.265 19.339 -25.249 1.00 42.21 H new ATOM 0 HB2 ALA A 14 10.898 17.711 -24.910 1.00 42.21 H new ATOM 0 HB3 ALA A 14 10.449 18.163 -26.572 1.00 42.21 H new ATOM 222 N ASP A 15 7.151 19.582 -25.324 1.00 64.21 N ATOM 223 CA ASP A 15 6.347 20.640 -25.914 1.00 21.41 C ATOM 224 C ASP A 15 6.850 21.946 -25.338 1.00 45.53 C ATOM 225 O ASP A 15 6.921 22.096 -24.133 1.00 44.44 O ATOM 226 CB ASP A 15 4.805 20.480 -25.728 1.00 73.32 C ATOM 227 CG ASP A 15 4.212 19.276 -26.460 1.00 54.13 C ATOM 228 OD1 ASP A 15 3.814 19.425 -27.650 1.00 74.34 O ATOM 229 OD2 ASP A 15 4.094 18.181 -25.875 1.00 43.11 O ATOM 0 H ASP A 15 7.173 19.608 -24.305 1.00 64.21 H new ATOM 0 HA ASP A 15 6.469 20.601 -26.996 1.00 21.41 H new ATOM 0 HB2 ASP A 15 4.585 20.390 -24.664 1.00 73.32 H new ATOM 0 HB3 ASP A 15 4.311 21.386 -26.080 1.00 73.32 H new ATOM 234 N SER A 16 7.322 22.817 -26.181 1.00 50.43 N ATOM 235 CA SER A 16 8.040 23.985 -25.725 1.00 21.20 C ATOM 236 C SER A 16 7.174 25.217 -25.378 1.00 75.03 C ATOM 237 O SER A 16 7.485 25.942 -24.431 1.00 55.11 O ATOM 238 CB SER A 16 9.102 24.353 -26.726 1.00 60.44 C ATOM 239 OG SER A 16 8.526 24.518 -28.018 1.00 44.04 O ATOM 0 H SER A 16 7.225 22.746 -27.194 1.00 50.43 H new ATOM 0 HA SER A 16 8.483 23.691 -24.773 1.00 21.20 H new ATOM 0 HB2 SER A 16 9.596 25.275 -26.420 1.00 60.44 H new ATOM 0 HB3 SER A 16 9.867 23.577 -26.757 1.00 60.44 H new ATOM 0 HG SER A 16 9.226 24.759 -28.660 1.00 44.04 H new ATOM 245 N GLY A 17 6.046 25.380 -26.037 1.00 52.53 N ATOM 246 CA GLY A 17 5.299 26.627 -25.907 1.00 32.23 C ATOM 247 C GLY A 17 5.899 27.700 -26.807 1.00 44.02 C ATOM 248 O GLY A 17 6.947 27.542 -27.443 1.00 41.25 O ATOM 0 H GLY A 17 5.628 24.686 -26.656 1.00 52.53 H new ATOM 0 HA2 GLY A 17 4.255 26.462 -26.173 1.00 32.23 H new ATOM 0 HA3 GLY A 17 5.315 26.962 -24.870 1.00 32.23 H new ATOM 252 N SER A 18 5.142 28.812 -26.801 1.00 74.14 N ATOM 253 CA SER A 18 5.557 29.780 -27.939 1.00 52.24 C ATOM 254 C SER A 18 6.646 30.766 -27.388 1.00 42.35 C ATOM 255 O SER A 18 7.042 31.759 -27.978 1.00 33.24 O ATOM 256 CB SER A 18 4.318 30.538 -28.414 1.00 74.34 C ATOM 257 OG SER A 18 3.666 31.165 -27.309 1.00 55.11 O ATOM 0 H SER A 18 4.379 29.072 -26.176 1.00 74.14 H new ATOM 0 HA SER A 18 5.976 29.234 -28.784 1.00 52.24 H new ATOM 0 HB2 SER A 18 4.603 31.289 -29.151 1.00 74.34 H new ATOM 0 HB3 SER A 18 3.631 29.851 -28.909 1.00 74.34 H new ATOM 0 HG SER A 18 4.211 31.914 -26.990 1.00 55.11 H new ATOM 263 N GLY A 19 7.029 30.358 -26.243 1.00 52.01 N ATOM 264 CA GLY A 19 8.164 31.023 -25.665 1.00 25.44 C ATOM 265 C GLY A 19 7.841 32.171 -24.763 1.00 72.32 C ATOM 266 O GLY A 19 6.978 32.993 -25.041 1.00 43.02 O ATOM 0 H GLY A 19 6.610 29.606 -25.696 1.00 52.01 H new ATOM 0 HA2 GLY A 19 8.745 30.292 -25.102 1.00 25.44 H new ATOM 0 HA3 GLY A 19 8.802 31.384 -26.471 1.00 25.44 H new ATOM 270 N THR A 20 8.490 32.168 -23.659 1.00 1.22 N ATOM 271 CA THR A 20 8.501 33.197 -22.682 1.00 53.24 C ATOM 272 C THR A 20 9.791 33.150 -21.887 1.00 2.11 C ATOM 273 O THR A 20 10.485 34.158 -21.744 1.00 63.20 O ATOM 274 CB THR A 20 7.216 33.230 -21.856 1.00 34.54 C ATOM 275 OG1 THR A 20 6.019 33.632 -22.476 1.00 53.23 O ATOM 276 CG2 THR A 20 7.001 32.017 -20.943 1.00 42.03 C ATOM 0 H THR A 20 9.078 31.379 -23.391 1.00 1.22 H new ATOM 0 HA THR A 20 8.498 34.167 -23.179 1.00 53.24 H new ATOM 0 HB THR A 20 7.460 34.087 -21.228 1.00 34.54 H new ATOM 0 HG1 THR A 20 6.141 33.641 -23.448 1.00 53.23 H new ATOM 0 HG21 THR A 20 6.064 32.133 -20.399 1.00 42.03 H new ATOM 0 HG22 THR A 20 6.961 31.110 -21.546 1.00 42.03 H new ATOM 0 HG23 THR A 20 7.826 31.945 -20.234 1.00 42.03 H new ATOM 284 N LYS A 21 10.111 31.985 -21.399 1.00 72.34 N ATOM 285 CA LYS A 21 11.360 31.755 -20.729 1.00 10.02 C ATOM 286 C LYS A 21 12.085 30.650 -21.457 1.00 52.51 C ATOM 287 O LYS A 21 11.718 29.512 -21.312 1.00 43.34 O ATOM 288 CB LYS A 21 11.145 31.319 -19.276 1.00 52.12 C ATOM 289 CG LYS A 21 10.529 32.358 -18.362 1.00 14.53 C ATOM 290 CD LYS A 21 10.359 31.816 -16.942 1.00 1.33 C ATOM 291 CE LYS A 21 11.677 31.274 -16.353 1.00 12.15 C ATOM 292 NZ LYS A 21 12.750 32.294 -16.301 1.00 20.52 N ATOM 0 H LYS A 21 9.509 31.163 -21.455 1.00 72.34 H new ATOM 0 HA LYS A 21 11.933 32.682 -20.728 1.00 10.02 H new ATOM 0 HB2 LYS A 21 10.508 30.435 -19.272 1.00 52.12 H new ATOM 0 HB3 LYS A 21 12.107 31.020 -18.860 1.00 52.12 H new ATOM 0 HG2 LYS A 21 11.159 33.247 -18.341 1.00 14.53 H new ATOM 0 HG3 LYS A 21 9.560 32.663 -18.756 1.00 14.53 H new ATOM 0 HD2 LYS A 21 9.976 32.608 -16.298 1.00 1.33 H new ATOM 0 HD3 LYS A 21 9.613 31.021 -16.947 1.00 1.33 H new ATOM 0 HE2 LYS A 21 11.491 30.898 -15.347 1.00 12.15 H new ATOM 0 HE3 LYS A 21 12.016 30.428 -16.952 1.00 12.15 H new ATOM 0 HZ1 LYS A 21 13.600 31.882 -15.866 1.00 20.52 H new ATOM 0 HZ2 LYS A 21 12.974 32.611 -17.266 1.00 20.52 H new ATOM 0 HZ3 LYS A 21 12.430 33.106 -15.735 1.00 20.52 H new ATOM 306 N PRO A 22 13.069 30.971 -22.305 1.00 50.42 N ATOM 307 CA PRO A 22 13.876 29.956 -22.978 1.00 65.02 C ATOM 308 C PRO A 22 14.821 29.332 -21.963 1.00 5.32 C ATOM 309 O PRO A 22 15.822 29.954 -21.555 1.00 43.44 O ATOM 310 CB PRO A 22 14.666 30.753 -24.037 1.00 73.41 C ATOM 311 CG PRO A 22 14.048 32.113 -24.053 1.00 73.01 C ATOM 312 CD PRO A 22 13.472 32.320 -22.687 1.00 63.02 C ATOM 0 HA PRO A 22 13.292 29.150 -23.422 1.00 65.02 H new ATOM 0 HB2 PRO A 22 15.724 30.805 -23.781 1.00 73.41 H new ATOM 0 HB3 PRO A 22 14.598 30.279 -25.016 1.00 73.41 H new ATOM 0 HG2 PRO A 22 14.791 32.877 -24.283 1.00 73.01 H new ATOM 0 HG3 PRO A 22 13.274 32.181 -24.817 1.00 73.01 H new ATOM 0 HD2 PRO A 22 14.206 32.735 -21.996 1.00 63.02 H new ATOM 0 HD3 PRO A 22 12.626 33.007 -22.704 1.00 63.02 H new ATOM 320 N GLU A 23 14.538 28.129 -21.575 1.00 51.21 N ATOM 321 CA GLU A 23 15.213 27.445 -20.511 1.00 33.41 C ATOM 322 C GLU A 23 15.688 26.103 -21.033 1.00 14.15 C ATOM 323 O GLU A 23 15.064 25.537 -21.957 1.00 54.13 O ATOM 324 CB GLU A 23 14.206 27.206 -19.384 1.00 61.10 C ATOM 325 CG GLU A 23 13.675 28.465 -18.703 1.00 0.13 C ATOM 326 CD GLU A 23 14.646 29.051 -17.710 1.00 64.32 C ATOM 327 OE1 GLU A 23 15.595 29.763 -18.103 1.00 62.33 O ATOM 328 OE2 GLU A 23 14.475 28.822 -16.504 1.00 75.44 O ATOM 0 H GLU A 23 13.801 27.571 -22.007 1.00 51.21 H new ATOM 0 HA GLU A 23 16.058 28.030 -20.148 1.00 33.41 H new ATOM 0 HB2 GLU A 23 13.361 26.647 -19.787 1.00 61.10 H new ATOM 0 HB3 GLU A 23 14.674 26.575 -18.629 1.00 61.10 H new ATOM 0 HG2 GLU A 23 13.445 29.212 -19.462 1.00 0.13 H new ATOM 0 HG3 GLU A 23 12.741 28.229 -18.194 1.00 0.13 H new ATOM 335 N GLN A 24 16.759 25.581 -20.485 1.00 33.55 N ATOM 336 CA GLN A 24 17.106 24.212 -20.761 1.00 12.34 C ATOM 337 C GLN A 24 16.382 23.363 -19.772 1.00 32.02 C ATOM 338 O GLN A 24 16.429 23.649 -18.564 1.00 23.14 O ATOM 339 CB GLN A 24 18.601 23.925 -20.734 1.00 44.02 C ATOM 340 CG GLN A 24 19.375 24.628 -21.817 1.00 42.03 C ATOM 341 CD GLN A 24 19.850 26.025 -21.426 1.00 20.23 C ATOM 342 OE1 GLN A 24 19.145 27.017 -21.614 1.00 53.20 O ATOM 343 NE2 GLN A 24 21.048 26.111 -20.902 1.00 41.11 N ATOM 0 H GLN A 24 17.394 26.074 -19.857 1.00 33.55 H new ATOM 0 HA GLN A 24 16.807 23.985 -21.784 1.00 12.34 H new ATOM 0 HB2 GLN A 24 19.001 24.221 -19.764 1.00 44.02 H new ATOM 0 HB3 GLN A 24 18.757 22.850 -20.828 1.00 44.02 H new ATOM 0 HG2 GLN A 24 20.240 24.022 -22.084 1.00 42.03 H new ATOM 0 HG3 GLN A 24 18.751 24.702 -22.707 1.00 42.03 H new ATOM 0 HE21 GLN A 24 21.604 25.268 -20.761 1.00 41.11 H new ATOM 0 HE22 GLN A 24 21.424 27.021 -20.636 1.00 41.11 H new ATOM 352 N ARG A 25 15.723 22.347 -20.228 1.00 5.40 N ATOM 353 CA ARG A 25 15.059 21.396 -19.345 1.00 61.33 C ATOM 354 C ARG A 25 15.431 20.033 -19.780 1.00 45.03 C ATOM 355 O ARG A 25 16.090 19.923 -20.771 1.00 42.13 O ATOM 356 CB ARG A 25 13.582 21.542 -19.392 1.00 60.51 C ATOM 357 CG ARG A 25 13.071 22.868 -18.862 1.00 25.44 C ATOM 358 CD ARG A 25 13.626 23.156 -17.489 1.00 1.32 C ATOM 359 NE ARG A 25 13.088 24.378 -16.909 1.00 65.51 N ATOM 360 CZ ARG A 25 13.843 25.400 -16.496 1.00 5.34 C ATOM 361 NH1 ARG A 25 15.167 25.374 -16.674 1.00 21.03 N ATOM 362 NH2 ARG A 25 13.275 26.457 -15.956 1.00 75.31 N ATOM 0 H ARG A 25 15.620 22.138 -21.221 1.00 5.40 H new ATOM 0 HA ARG A 25 15.376 21.585 -18.319 1.00 61.33 H new ATOM 0 HB2 ARG A 25 13.249 21.423 -20.423 1.00 60.51 H new ATOM 0 HB3 ARG A 25 13.130 20.735 -18.816 1.00 60.51 H new ATOM 0 HG2 ARG A 25 13.352 23.669 -19.546 1.00 25.44 H new ATOM 0 HG3 ARG A 25 11.982 22.851 -18.821 1.00 25.44 H new ATOM 0 HD2 ARG A 25 13.404 22.317 -16.829 1.00 1.32 H new ATOM 0 HD3 ARG A 25 14.711 23.235 -17.550 1.00 1.32 H new ATOM 0 HE ARG A 25 12.076 24.459 -16.812 1.00 65.51 H new ATOM 0 HH11 ARG A 25 15.605 24.572 -17.127 1.00 21.03 H new ATOM 0 HH12 ARG A 25 15.740 26.156 -16.357 1.00 21.03 H new ATOM 0 HH21 ARG A 25 12.261 26.495 -15.854 1.00 75.31 H new ATOM 0 HH22 ARG A 25 13.849 27.239 -15.640 1.00 75.31 H new ATOM 376 N ILE A 26 14.997 18.992 -19.083 1.00 1.24 N ATOM 377 CA ILE A 26 15.519 17.672 -19.358 1.00 43.43 C ATOM 378 C ILE A 26 14.391 16.587 -19.293 1.00 11.24 C ATOM 379 O ILE A 26 13.702 16.510 -18.320 1.00 33.21 O ATOM 380 CB ILE A 26 16.535 17.339 -18.220 1.00 31.21 C ATOM 381 CG1 ILE A 26 17.570 18.446 -18.059 1.00 63.40 C ATOM 382 CG2 ILE A 26 17.276 16.070 -18.550 1.00 24.50 C ATOM 383 CD1 ILE A 26 18.288 18.391 -16.746 1.00 34.30 C ATOM 0 H ILE A 26 14.300 19.038 -18.340 1.00 1.24 H new ATOM 0 HA ILE A 26 15.965 17.665 -20.353 1.00 43.43 H new ATOM 0 HB ILE A 26 15.965 17.233 -17.297 1.00 31.21 H new ATOM 0 HG12 ILE A 26 18.298 18.376 -18.868 1.00 63.40 H new ATOM 0 HG13 ILE A 26 17.077 19.413 -18.157 1.00 63.40 H new ATOM 0 HG21 ILE A 26 17.983 15.844 -17.752 1.00 24.50 H new ATOM 0 HG22 ILE A 26 16.566 15.249 -18.649 1.00 24.50 H new ATOM 0 HG23 ILE A 26 17.816 16.198 -19.488 1.00 24.50 H new ATOM 0 HD11 ILE A 26 19.011 19.205 -16.692 1.00 34.30 H new ATOM 0 HD12 ILE A 26 17.568 18.491 -15.933 1.00 34.30 H new ATOM 0 HD13 ILE A 26 18.808 17.437 -16.655 1.00 34.30 H new ATOM 395 N TYR A 27 14.216 15.793 -20.333 1.00 20.13 N ATOM 396 CA TYR A 27 13.054 14.869 -20.442 1.00 71.31 C ATOM 397 C TYR A 27 13.631 13.564 -21.027 1.00 51.44 C ATOM 398 O TYR A 27 14.725 13.575 -21.611 1.00 42.11 O ATOM 399 CB TYR A 27 11.998 15.456 -21.435 1.00 74.45 C ATOM 400 CG TYR A 27 12.408 15.470 -22.893 1.00 33.02 C ATOM 401 CD1 TYR A 27 13.239 16.440 -23.422 1.00 12.14 C ATOM 402 CD2 TYR A 27 11.940 14.477 -23.738 1.00 32.44 C ATOM 403 CE1 TYR A 27 13.588 16.398 -24.769 1.00 53.22 C ATOM 404 CE2 TYR A 27 12.281 14.437 -25.056 1.00 32.40 C ATOM 405 CZ TYR A 27 13.103 15.390 -25.571 1.00 13.42 C ATOM 406 OH TYR A 27 13.430 15.344 -26.905 1.00 52.34 O ATOM 0 H TYR A 27 14.855 15.754 -21.127 1.00 20.13 H new ATOM 0 HA TYR A 27 12.564 14.716 -19.480 1.00 71.31 H new ATOM 0 HB2 TYR A 27 11.077 14.880 -21.340 1.00 74.45 H new ATOM 0 HB3 TYR A 27 11.768 16.477 -21.131 1.00 74.45 H new ATOM 0 HD1 TYR A 27 13.617 17.230 -22.790 1.00 12.14 H new ATOM 0 HD2 TYR A 27 11.287 13.714 -23.341 1.00 32.44 H new ATOM 0 HE1 TYR A 27 14.238 17.154 -25.184 1.00 53.22 H new ATOM 0 HE2 TYR A 27 11.900 13.651 -25.690 1.00 32.40 H new ATOM 0 HH TYR A 27 13.002 14.566 -27.320 1.00 52.34 H new ATOM 416 N TYR A 28 12.931 12.440 -20.849 1.00 63.21 N ATOM 417 CA TYR A 28 13.353 11.134 -21.334 1.00 24.22 C ATOM 418 C TYR A 28 12.938 10.966 -22.805 1.00 13.23 C ATOM 419 O TYR A 28 11.831 11.312 -23.212 1.00 12.23 O ATOM 420 CB TYR A 28 12.770 10.009 -20.419 1.00 60.22 C ATOM 421 CG TYR A 28 12.956 8.527 -20.824 1.00 64.55 C ATOM 422 CD1 TYR A 28 14.034 7.790 -20.422 1.00 22.01 C ATOM 423 CD2 TYR A 28 11.960 7.859 -21.511 1.00 54.34 C ATOM 424 CE1 TYR A 28 14.112 6.426 -20.684 1.00 21.42 C ATOM 425 CE2 TYR A 28 12.040 6.518 -21.795 1.00 44.44 C ATOM 426 CZ TYR A 28 13.110 5.806 -21.370 1.00 74.11 C ATOM 427 OH TYR A 28 13.161 4.443 -21.593 1.00 12.54 O ATOM 0 H TYR A 28 12.039 12.418 -20.354 1.00 63.21 H new ATOM 0 HA TYR A 28 14.439 11.055 -21.290 1.00 24.22 H new ATOM 0 HB2 TYR A 28 13.207 10.134 -19.428 1.00 60.22 H new ATOM 0 HB3 TYR A 28 11.700 10.189 -20.321 1.00 60.22 H new ATOM 0 HD1 TYR A 28 14.840 8.275 -19.891 1.00 22.01 H new ATOM 0 HD2 TYR A 28 11.090 8.410 -21.835 1.00 54.34 H new ATOM 0 HE1 TYR A 28 14.966 5.858 -20.344 1.00 21.42 H new ATOM 0 HE2 TYR A 28 11.253 6.034 -22.355 1.00 44.44 H new ATOM 0 HH TYR A 28 12.367 4.164 -22.096 1.00 12.54 H new ATOM 437 N ASN A 29 13.872 10.511 -23.569 1.00 10.04 N ATOM 438 CA ASN A 29 13.530 10.185 -24.944 1.00 1.05 C ATOM 439 C ASN A 29 12.709 8.926 -24.948 1.00 3.13 C ATOM 440 O ASN A 29 13.031 7.952 -24.319 1.00 0.33 O ATOM 441 CB ASN A 29 14.733 9.939 -25.837 1.00 42.30 C ATOM 442 CG ASN A 29 15.612 11.108 -26.128 1.00 45.32 C ATOM 443 OD1 ASN A 29 16.816 10.947 -26.238 1.00 41.43 O ATOM 444 ND2 ASN A 29 15.022 12.245 -26.391 1.00 44.03 N ATOM 0 H ASN A 29 14.843 10.355 -23.298 1.00 10.04 H new ATOM 0 HA ASN A 29 12.994 11.048 -25.339 1.00 1.05 H new ATOM 0 HB2 ASN A 29 15.344 9.163 -25.376 1.00 42.30 H new ATOM 0 HB3 ASN A 29 14.374 9.541 -26.786 1.00 42.30 H new ATOM 0 HD21 ASN A 29 15.572 13.045 -26.703 1.00 44.03 H new ATOM 0 HD22 ASN A 29 14.011 12.332 -26.284 1.00 44.03 H new ATOM 451 N SER A 30 11.762 8.952 -25.858 1.00 4.45 N ATOM 452 CA SER A 30 10.675 8.003 -26.012 1.00 0.11 C ATOM 453 C SER A 30 11.290 6.874 -26.858 1.00 55.11 C ATOM 454 O SER A 30 11.352 5.708 -26.483 1.00 71.35 O ATOM 455 CB SER A 30 9.557 8.701 -26.826 1.00 30.33 C ATOM 456 OG SER A 30 9.184 9.943 -26.228 1.00 53.52 O ATOM 0 H SER A 30 11.726 9.689 -26.562 1.00 4.45 H new ATOM 0 HA SER A 30 10.260 7.643 -25.071 1.00 0.11 H new ATOM 0 HB2 SER A 30 9.900 8.874 -27.846 1.00 30.33 H new ATOM 0 HB3 SER A 30 8.687 8.048 -26.888 1.00 30.33 H new ATOM 0 HG SER A 30 8.616 9.773 -25.448 1.00 53.52 H new ATOM 462 N ALA A 31 11.696 7.318 -28.050 1.00 1.33 N ATOM 463 CA ALA A 31 12.423 6.495 -29.012 1.00 53.25 C ATOM 464 C ALA A 31 13.727 5.946 -28.404 1.00 45.10 C ATOM 465 O ALA A 31 13.957 4.743 -28.226 1.00 23.53 O ATOM 466 CB ALA A 31 12.713 7.299 -30.263 1.00 2.45 C ATOM 0 H ALA A 31 11.526 8.270 -28.375 1.00 1.33 H new ATOM 0 HA ALA A 31 11.798 5.642 -29.276 1.00 53.25 H new ATOM 0 HB1 ALA A 31 13.256 6.679 -30.976 1.00 2.45 H new ATOM 0 HB2 ALA A 31 11.775 7.629 -30.709 1.00 2.45 H new ATOM 0 HB3 ALA A 31 13.318 8.168 -30.005 1.00 2.45 H new ATOM 472 N LYS A 32 14.535 6.945 -28.060 1.00 75.41 N ATOM 473 CA LYS A 32 15.990 6.789 -27.856 1.00 54.11 C ATOM 474 C LYS A 32 16.407 6.392 -26.456 1.00 44.51 C ATOM 475 O LYS A 32 17.530 5.986 -26.197 1.00 64.33 O ATOM 476 CB LYS A 32 16.700 8.105 -28.158 1.00 32.02 C ATOM 477 CG LYS A 32 16.377 8.696 -29.498 1.00 53.14 C ATOM 478 CD LYS A 32 17.359 9.795 -29.866 1.00 3.41 C ATOM 479 CE LYS A 32 16.993 10.446 -31.187 1.00 52.21 C ATOM 480 NZ LYS A 32 18.046 11.356 -31.691 1.00 10.02 N ATOM 0 H LYS A 32 14.205 7.898 -27.911 1.00 75.41 H new ATOM 0 HA LYS A 32 16.270 5.980 -28.531 1.00 54.11 H new ATOM 0 HB2 LYS A 32 16.441 8.828 -27.385 1.00 32.02 H new ATOM 0 HB3 LYS A 32 17.776 7.944 -28.096 1.00 32.02 H new ATOM 0 HG2 LYS A 32 16.400 7.915 -30.258 1.00 53.14 H new ATOM 0 HG3 LYS A 32 15.364 9.099 -29.486 1.00 53.14 H new ATOM 0 HD2 LYS A 32 17.375 10.549 -29.079 1.00 3.41 H new ATOM 0 HD3 LYS A 32 18.365 9.380 -29.930 1.00 3.41 H new ATOM 0 HE2 LYS A 32 16.805 9.670 -31.929 1.00 52.21 H new ATOM 0 HE3 LYS A 32 16.064 11.004 -31.067 1.00 52.21 H new ATOM 0 HZ1 LYS A 32 17.742 11.772 -32.595 1.00 10.02 H new ATOM 0 HZ2 LYS A 32 18.210 12.115 -30.999 1.00 10.02 H new ATOM 0 HZ3 LYS A 32 18.927 10.822 -31.834 1.00 10.02 H new ATOM 494 N LYS A 33 15.413 6.514 -25.588 1.00 32.22 N ATOM 495 CA LYS A 33 15.458 6.061 -24.203 1.00 30.10 C ATOM 496 C LYS A 33 16.637 6.615 -23.431 1.00 74.23 C ATOM 497 O LYS A 33 17.434 5.884 -22.856 1.00 31.52 O ATOM 498 CB LYS A 33 15.348 4.552 -24.159 1.00 13.14 C ATOM 499 CG LYS A 33 14.046 4.182 -24.782 1.00 21.32 C ATOM 500 CD LYS A 33 13.598 2.802 -24.545 1.00 41.43 C ATOM 501 CE LYS A 33 12.158 2.805 -24.907 1.00 53.12 C ATOM 502 NZ LYS A 33 11.488 1.511 -24.693 1.00 50.20 N ATOM 0 H LYS A 33 14.523 6.945 -25.836 1.00 32.22 H new ATOM 0 HA LYS A 33 14.595 6.470 -23.678 1.00 30.10 H new ATOM 0 HB2 LYS A 33 16.176 4.091 -24.697 1.00 13.14 H new ATOM 0 HB3 LYS A 33 15.397 4.193 -23.131 1.00 13.14 H new ATOM 0 HG2 LYS A 33 13.280 4.863 -24.411 1.00 21.32 H new ATOM 0 HG3 LYS A 33 14.120 4.341 -25.858 1.00 21.32 H new ATOM 0 HD2 LYS A 33 14.158 2.094 -25.155 1.00 41.43 H new ATOM 0 HD3 LYS A 33 13.744 2.512 -23.505 1.00 41.43 H new ATOM 0 HE2 LYS A 33 11.647 3.569 -24.321 1.00 53.12 H new ATOM 0 HE3 LYS A 33 12.057 3.087 -25.955 1.00 53.12 H new ATOM 0 HZ1 LYS A 33 10.488 1.589 -24.967 1.00 50.20 H new ATOM 0 HZ2 LYS A 33 11.950 0.781 -25.272 1.00 50.20 H new ATOM 0 HZ3 LYS A 33 11.553 1.248 -23.689 1.00 50.20 H new ATOM 516 N GLN A 34 16.741 7.921 -23.522 1.00 24.33 N ATOM 517 CA GLN A 34 17.781 8.718 -22.874 1.00 0.21 C ATOM 518 C GLN A 34 17.083 9.766 -22.012 1.00 43.22 C ATOM 519 O GLN A 34 15.890 9.762 -21.890 1.00 75.41 O ATOM 520 CB GLN A 34 18.627 9.451 -23.902 1.00 51.54 C ATOM 521 CG GLN A 34 19.255 8.602 -24.966 1.00 1.25 C ATOM 522 CD GLN A 34 20.212 9.416 -25.781 1.00 60.41 C ATOM 523 OE1 GLN A 34 21.405 9.474 -25.469 1.00 1.34 O ATOM 524 NE2 GLN A 34 19.705 10.108 -26.763 1.00 0.35 N ATOM 0 H GLN A 34 16.087 8.485 -24.065 1.00 24.33 H new ATOM 0 HA GLN A 34 18.426 8.061 -22.290 1.00 0.21 H new ATOM 0 HB2 GLN A 34 18.004 10.202 -24.386 1.00 51.54 H new ATOM 0 HB3 GLN A 34 19.419 9.984 -23.377 1.00 51.54 H new ATOM 0 HG2 GLN A 34 19.778 7.762 -24.509 1.00 1.25 H new ATOM 0 HG3 GLN A 34 18.482 8.183 -25.611 1.00 1.25 H new ATOM 0 HE21 GLN A 34 18.713 10.028 -26.984 1.00 0.35 H new ATOM 0 HE22 GLN A 34 20.301 10.730 -27.310 1.00 0.35 H new ATOM 533 N CYS A 35 17.857 10.706 -21.515 1.00 14.12 N ATOM 534 CA CYS A 35 17.327 11.813 -20.725 1.00 74.00 C ATOM 535 C CYS A 35 18.070 12.929 -21.302 1.00 13.30 C ATOM 536 O CYS A 35 19.305 12.999 -21.148 1.00 72.12 O ATOM 537 CB CYS A 35 17.565 11.737 -19.214 1.00 44.12 C ATOM 538 SG CYS A 35 16.716 13.067 -18.239 1.00 62.04 S ATOM 0 H CYS A 35 18.869 10.731 -21.642 1.00 14.12 H new ATOM 0 HA CYS A 35 16.239 11.859 -20.778 1.00 74.00 H new ATOM 0 HB2 CYS A 35 17.226 10.766 -18.853 1.00 44.12 H new ATOM 0 HB3 CYS A 35 18.637 11.791 -19.024 1.00 44.12 H new ATOM 543 N VAL A 36 17.438 13.760 -22.014 1.00 65.05 N ATOM 544 CA VAL A 36 18.091 14.729 -22.804 1.00 53.32 C ATOM 545 C VAL A 36 17.403 16.020 -22.499 1.00 15.34 C ATOM 546 O VAL A 36 16.350 16.033 -21.894 1.00 33.12 O ATOM 547 CB VAL A 36 17.916 14.421 -24.327 1.00 64.21 C ATOM 548 CG1 VAL A 36 18.426 13.045 -24.690 1.00 11.33 C ATOM 549 CG2 VAL A 36 16.464 14.517 -24.733 1.00 33.03 C ATOM 0 H VAL A 36 16.420 13.794 -22.072 1.00 65.05 H new ATOM 0 HA VAL A 36 19.159 14.750 -22.588 1.00 53.32 H new ATOM 0 HB VAL A 36 18.504 15.167 -24.861 1.00 64.21 H new ATOM 0 HG11 VAL A 36 18.284 12.874 -25.757 1.00 11.33 H new ATOM 0 HG12 VAL A 36 19.487 12.975 -24.449 1.00 11.33 H new ATOM 0 HG13 VAL A 36 17.875 12.292 -24.126 1.00 11.33 H new ATOM 0 HG21 VAL A 36 16.368 14.299 -25.797 1.00 33.03 H new ATOM 0 HG22 VAL A 36 15.878 13.798 -24.161 1.00 33.03 H new ATOM 0 HG23 VAL A 36 16.097 15.524 -24.535 1.00 33.03 H new ATOM 559 N THR A 37 17.999 17.079 -22.894 1.00 0.44 N ATOM 560 CA THR A 37 17.450 18.358 -22.702 1.00 51.35 C ATOM 561 C THR A 37 16.474 18.763 -23.789 1.00 10.35 C ATOM 562 O THR A 37 16.531 18.265 -24.921 1.00 4.35 O ATOM 563 CB THR A 37 18.566 19.403 -22.510 1.00 72.43 C ATOM 564 OG1 THR A 37 19.505 19.320 -23.591 1.00 32.52 O ATOM 565 CG2 THR A 37 19.263 19.184 -21.193 1.00 70.55 C ATOM 0 H THR A 37 18.901 17.078 -23.370 1.00 0.44 H new ATOM 0 HA THR A 37 16.859 18.314 -21.787 1.00 51.35 H new ATOM 0 HB THR A 37 18.122 20.398 -22.506 1.00 72.43 H new ATOM 0 HG1 THR A 37 20.211 19.988 -23.463 1.00 32.52 H new ATOM 0 HG21 THR A 37 20.049 19.929 -21.069 1.00 70.55 H new ATOM 0 HG22 THR A 37 18.543 19.278 -20.380 1.00 70.55 H new ATOM 0 HG23 THR A 37 19.702 18.186 -21.175 1.00 70.55 H new ATOM 573 N PHE A 38 15.577 19.660 -23.438 1.00 44.32 N ATOM 574 CA PHE A 38 14.674 20.165 -24.367 1.00 10.41 C ATOM 575 C PHE A 38 14.584 21.623 -24.184 1.00 52.05 C ATOM 576 O PHE A 38 14.975 22.177 -23.133 1.00 3.31 O ATOM 577 CB PHE A 38 13.277 19.584 -24.290 1.00 60.44 C ATOM 578 CG PHE A 38 12.380 19.860 -23.133 1.00 24.11 C ATOM 579 CD1 PHE A 38 12.456 19.200 -21.931 1.00 5.42 C ATOM 580 CD2 PHE A 38 11.370 20.766 -23.331 1.00 64.02 C ATOM 581 CE1 PHE A 38 11.524 19.458 -20.948 1.00 11.14 C ATOM 582 CE2 PHE A 38 10.452 21.046 -22.374 1.00 53.31 C ATOM 583 CZ PHE A 38 10.519 20.391 -21.168 1.00 63.42 C ATOM 0 H PHE A 38 15.479 20.039 -22.496 1.00 44.32 H new ATOM 0 HA PHE A 38 15.062 19.882 -25.346 1.00 10.41 H new ATOM 0 HB2 PHE A 38 12.748 19.911 -25.185 1.00 60.44 H new ATOM 0 HB3 PHE A 38 13.380 18.501 -24.359 1.00 60.44 H new ATOM 0 HD1 PHE A 38 13.243 18.481 -21.756 1.00 5.42 H new ATOM 0 HD2 PHE A 38 11.304 21.274 -24.282 1.00 64.02 H new ATOM 0 HE1 PHE A 38 11.576 18.934 -20.005 1.00 11.14 H new ATOM 0 HE2 PHE A 38 9.677 21.775 -22.557 1.00 53.31 H new ATOM 0 HZ PHE A 38 9.794 20.601 -20.395 1.00 63.42 H new ATOM 593 N THR A 39 14.060 22.217 -25.168 1.00 63.11 N ATOM 594 CA THR A 39 13.840 23.612 -25.227 1.00 22.12 C ATOM 595 C THR A 39 12.538 23.895 -24.513 1.00 34.40 C ATOM 596 O THR A 39 11.471 23.554 -25.015 1.00 42.22 O ATOM 597 CB THR A 39 13.689 24.000 -26.692 1.00 22.42 C ATOM 598 OG1 THR A 39 14.851 23.542 -27.425 1.00 4.11 O ATOM 599 CG2 THR A 39 13.516 25.500 -26.862 1.00 33.11 C ATOM 0 H THR A 39 13.752 21.726 -26.007 1.00 63.11 H new ATOM 0 HA THR A 39 14.660 24.167 -24.771 1.00 22.12 H new ATOM 0 HB THR A 39 12.790 23.525 -27.085 1.00 22.42 H new ATOM 0 HG1 THR A 39 14.760 23.787 -28.369 1.00 4.11 H new ATOM 0 HG21 THR A 39 13.412 25.737 -27.921 1.00 33.11 H new ATOM 0 HG22 THR A 39 12.624 25.826 -26.328 1.00 33.11 H new ATOM 0 HG23 THR A 39 14.388 26.015 -26.460 1.00 33.11 H new ATOM 607 N TYR A 40 12.611 24.439 -23.344 1.00 55.43 N ATOM 608 CA TYR A 40 11.403 24.711 -22.645 1.00 73.13 C ATOM 609 C TYR A 40 11.127 26.159 -22.578 1.00 45.42 C ATOM 610 O TYR A 40 11.898 26.896 -22.004 1.00 5.41 O ATOM 611 CB TYR A 40 11.428 24.113 -21.262 1.00 4.34 C ATOM 612 CG TYR A 40 10.216 24.402 -20.374 1.00 32.23 C ATOM 613 CD1 TYR A 40 8.977 23.815 -20.614 1.00 34.02 C ATOM 614 CD2 TYR A 40 10.332 25.251 -19.281 1.00 2.33 C ATOM 615 CE1 TYR A 40 7.893 24.075 -19.786 1.00 25.42 C ATOM 616 CE2 TYR A 40 9.262 25.508 -18.454 1.00 44.25 C ATOM 617 CZ TYR A 40 8.046 24.922 -18.704 1.00 4.14 C ATOM 618 OH TYR A 40 6.972 25.186 -17.862 1.00 34.43 O ATOM 0 H TYR A 40 13.472 24.698 -22.863 1.00 55.43 H new ATOM 0 HA TYR A 40 10.594 24.243 -23.206 1.00 73.13 H new ATOM 0 HB2 TYR A 40 11.531 23.032 -21.359 1.00 4.34 H new ATOM 0 HB3 TYR A 40 12.320 24.473 -20.750 1.00 4.34 H new ATOM 0 HD1 TYR A 40 8.857 23.149 -21.455 1.00 34.02 H new ATOM 0 HD2 TYR A 40 11.283 25.720 -19.075 1.00 2.33 H new ATOM 0 HE1 TYR A 40 6.935 23.618 -19.986 1.00 25.42 H new ATOM 0 HE2 TYR A 40 9.379 26.170 -17.609 1.00 44.25 H new ATOM 0 HH TYR A 40 7.255 25.800 -17.153 1.00 34.43 H new ATOM 628 N ASN A 41 10.081 26.561 -23.229 1.00 60.51 N ATOM 629 CA ASN A 41 9.792 27.937 -23.385 1.00 52.34 C ATOM 630 C ASN A 41 8.859 28.438 -22.334 1.00 13.53 C ATOM 631 O ASN A 41 8.761 29.651 -22.133 1.00 41.23 O ATOM 632 CB ASN A 41 9.275 28.240 -24.775 1.00 14.44 C ATOM 633 CG ASN A 41 10.284 28.015 -25.883 1.00 23.24 C ATOM 634 OD1 ASN A 41 11.484 28.170 -25.691 1.00 23.31 O ATOM 635 ND2 ASN A 41 9.800 27.660 -27.049 1.00 15.24 N ATOM 0 H ASN A 41 9.405 25.935 -23.666 1.00 60.51 H new ATOM 0 HA ASN A 41 10.731 28.475 -23.257 1.00 52.34 H new ATOM 0 HB2 ASN A 41 8.399 27.620 -24.967 1.00 14.44 H new ATOM 0 HB3 ASN A 41 8.944 29.278 -24.808 1.00 14.44 H new ATOM 0 HD21 ASN A 41 10.429 27.503 -27.836 1.00 15.24 H new ATOM 0 HD22 ASN A 41 8.794 27.541 -27.169 1.00 15.24 H new ATOM 642 N GLY A 42 8.115 27.546 -21.689 1.00 3.13 N ATOM 643 CA GLY A 42 7.387 28.014 -20.548 1.00 60.00 C ATOM 644 C GLY A 42 5.940 28.409 -20.768 1.00 11.23 C ATOM 645 O GLY A 42 5.398 29.139 -19.935 1.00 51.05 O ATOM 0 H GLY A 42 8.011 26.559 -21.926 1.00 3.13 H new ATOM 0 HA2 GLY A 42 7.413 27.234 -19.787 1.00 60.00 H new ATOM 0 HA3 GLY A 42 7.915 28.876 -20.140 1.00 60.00 H new ATOM 649 N LYS A 43 5.264 28.004 -21.838 1.00 54.21 N ATOM 650 CA LYS A 43 3.971 28.510 -22.190 1.00 4.45 C ATOM 651 C LYS A 43 2.896 27.414 -22.302 1.00 35.43 C ATOM 652 O LYS A 43 2.837 26.440 -21.536 1.00 23.34 O ATOM 653 CB LYS A 43 4.116 29.109 -23.595 1.00 1.43 C ATOM 654 CG LYS A 43 4.963 30.316 -23.722 1.00 64.25 C ATOM 655 CD LYS A 43 4.187 31.526 -23.348 1.00 44.33 C ATOM 656 CE LYS A 43 2.958 31.658 -24.211 1.00 52.23 C ATOM 657 NZ LYS A 43 2.202 32.878 -23.930 1.00 31.44 N ATOM 0 H LYS A 43 5.618 27.302 -22.487 1.00 54.21 H new ATOM 0 HA LYS A 43 3.660 29.212 -21.417 1.00 4.45 H new ATOM 0 HB2 LYS A 43 4.521 28.339 -24.252 1.00 1.43 H new ATOM 0 HB3 LYS A 43 3.120 29.353 -23.965 1.00 1.43 H new ATOM 0 HG2 LYS A 43 5.839 30.224 -23.080 1.00 64.25 H new ATOM 0 HG3 LYS A 43 5.326 30.409 -24.746 1.00 64.25 H new ATOM 0 HD2 LYS A 43 3.896 31.468 -22.299 1.00 44.33 H new ATOM 0 HD3 LYS A 43 4.811 32.413 -23.457 1.00 44.33 H new ATOM 0 HE2 LYS A 43 3.253 31.651 -25.260 1.00 52.23 H new ATOM 0 HE3 LYS A 43 2.314 30.792 -24.055 1.00 52.23 H new ATOM 0 HZ1 LYS A 43 1.368 32.920 -24.550 1.00 31.44 H new ATOM 0 HZ2 LYS A 43 1.895 32.875 -22.936 1.00 31.44 H new ATOM 0 HZ3 LYS A 43 2.805 33.708 -24.104 1.00 31.44 H new ATOM 671 N GLY A 44 2.046 27.761 -23.244 1.00 12.44 N ATOM 672 CA GLY A 44 1.102 26.763 -23.719 1.00 53.44 C ATOM 673 C GLY A 44 1.611 25.352 -23.925 1.00 24.33 C ATOM 674 O GLY A 44 2.750 25.112 -24.350 1.00 63.05 O ATOM 0 H GLY A 44 1.984 28.680 -23.682 1.00 12.44 H new ATOM 0 HA2 GLY A 44 0.275 26.721 -23.011 1.00 53.44 H new ATOM 0 HA3 GLY A 44 0.693 27.113 -24.667 1.00 53.44 H new ATOM 678 N GLY A 45 0.710 24.452 -23.652 1.00 70.21 N ATOM 679 CA GLY A 45 0.996 23.085 -23.902 1.00 53.14 C ATOM 680 C GLY A 45 1.750 22.400 -22.790 1.00 54.02 C ATOM 681 O GLY A 45 1.761 22.831 -21.626 1.00 74.14 O ATOM 0 H GLY A 45 -0.213 24.644 -23.262 1.00 70.21 H new ATOM 0 HA2 GLY A 45 0.059 22.554 -24.072 1.00 53.14 H new ATOM 0 HA3 GLY A 45 1.577 23.009 -24.821 1.00 53.14 H new ATOM 685 N ASN A 46 2.366 21.327 -23.208 1.00 1.00 N ATOM 686 CA ASN A 46 3.120 20.498 -22.269 1.00 52.41 C ATOM 687 C ASN A 46 4.406 21.045 -21.675 1.00 0.12 C ATOM 688 O ASN A 46 5.016 21.995 -22.134 1.00 30.24 O ATOM 689 CB ASN A 46 3.304 19.081 -22.825 1.00 3.35 C ATOM 690 CG ASN A 46 1.976 18.375 -22.994 1.00 5.42 C ATOM 691 OD1 ASN A 46 1.060 18.557 -22.202 1.00 22.24 O ATOM 692 ND2 ASN A 46 1.829 17.641 -24.054 1.00 52.43 N ATOM 0 H ASN A 46 2.370 20.999 -24.174 1.00 1.00 H new ATOM 0 HA ASN A 46 2.474 20.494 -21.391 1.00 52.41 H new ATOM 0 HB2 ASN A 46 3.816 19.130 -23.786 1.00 3.35 H new ATOM 0 HB3 ASN A 46 3.941 18.505 -22.153 1.00 3.35 H new ATOM 0 HD21 ASN A 46 0.931 17.197 -24.246 1.00 52.43 H new ATOM 0 HD22 ASN A 46 2.611 17.508 -24.695 1.00 52.43 H new ATOM 699 N GLY A 47 4.653 20.472 -20.530 1.00 25.31 N ATOM 700 CA GLY A 47 5.853 20.749 -19.784 1.00 74.53 C ATOM 701 C GLY A 47 6.369 19.534 -19.090 1.00 70.02 C ATOM 702 O GLY A 47 6.630 19.558 -17.889 1.00 44.12 O ATOM 0 H GLY A 47 4.029 19.799 -20.086 1.00 25.31 H new ATOM 0 HA2 GLY A 47 6.618 21.135 -20.457 1.00 74.53 H new ATOM 0 HA3 GLY A 47 5.652 21.529 -19.049 1.00 74.53 H new ATOM 706 N ASN A 48 6.510 18.470 -19.842 1.00 12.40 N ATOM 707 CA ASN A 48 7.001 17.219 -19.258 1.00 75.22 C ATOM 708 C ASN A 48 8.535 17.170 -19.104 1.00 52.43 C ATOM 709 O ASN A 48 9.222 16.360 -19.703 1.00 71.23 O ATOM 710 CB ASN A 48 6.444 16.005 -20.024 1.00 31.21 C ATOM 711 CG ASN A 48 6.803 14.668 -19.381 1.00 45.14 C ATOM 712 OD1 ASN A 48 6.127 14.214 -18.447 1.00 35.01 O ATOM 713 ND2 ASN A 48 7.802 14.008 -19.901 1.00 53.21 N ATOM 0 H ASN A 48 6.300 18.430 -20.839 1.00 12.40 H new ATOM 0 HA ASN A 48 6.620 17.176 -18.238 1.00 75.22 H new ATOM 0 HB2 ASN A 48 5.359 16.090 -20.087 1.00 31.21 H new ATOM 0 HB3 ASN A 48 6.825 16.023 -21.045 1.00 31.21 H new ATOM 0 HD21 ASN A 48 8.048 13.087 -19.539 1.00 53.21 H new ATOM 0 HD22 ASN A 48 8.336 14.413 -20.669 1.00 53.21 H new ATOM 720 N ASN A 49 9.065 18.126 -18.401 1.00 1.42 N ATOM 721 CA ASN A 49 10.439 18.203 -17.939 1.00 45.35 C ATOM 722 C ASN A 49 10.680 17.408 -16.678 1.00 43.13 C ATOM 723 O ASN A 49 9.776 17.239 -15.862 1.00 4.10 O ATOM 724 CB ASN A 49 10.672 19.686 -17.563 1.00 15.24 C ATOM 725 CG ASN A 49 12.022 19.986 -16.925 1.00 53.52 C ATOM 726 OD1 ASN A 49 13.026 19.403 -17.264 1.00 31.34 O ATOM 727 ND2 ASN A 49 12.041 20.872 -15.965 1.00 44.54 N ATOM 0 H ASN A 49 8.518 18.936 -18.109 1.00 1.42 H new ATOM 0 HA ASN A 49 11.093 17.814 -18.720 1.00 45.35 H new ATOM 0 HB2 ASN A 49 10.570 20.293 -18.462 1.00 15.24 H new ATOM 0 HB3 ASN A 49 9.885 19.999 -16.876 1.00 15.24 H new ATOM 0 HD21 ASN A 49 12.915 21.085 -15.484 1.00 44.54 H new ATOM 0 HD22 ASN A 49 11.182 21.351 -15.696 1.00 44.54 H new ATOM 734 N PHE A 50 11.890 16.928 -16.525 1.00 50.23 N ATOM 735 CA PHE A 50 12.264 16.484 -15.233 1.00 0.33 C ATOM 736 C PHE A 50 13.269 17.494 -14.695 1.00 24.04 C ATOM 737 O PHE A 50 14.463 17.442 -14.961 1.00 14.23 O ATOM 738 CB PHE A 50 12.833 15.040 -15.269 1.00 45.10 C ATOM 739 CG PHE A 50 11.847 14.062 -15.835 1.00 41.15 C ATOM 740 CD1 PHE A 50 10.841 13.539 -15.044 1.00 14.34 C ATOM 741 CD2 PHE A 50 11.912 13.685 -17.168 1.00 2.34 C ATOM 742 CE1 PHE A 50 9.918 12.662 -15.570 1.00 23.12 C ATOM 743 CE2 PHE A 50 10.994 12.806 -17.698 1.00 54.04 C ATOM 744 CZ PHE A 50 9.996 12.297 -16.898 1.00 54.01 C ATOM 0 H PHE A 50 12.597 16.842 -17.255 1.00 50.23 H new ATOM 0 HA PHE A 50 11.399 16.431 -14.572 1.00 0.33 H new ATOM 0 HB2 PHE A 50 13.744 15.024 -15.867 1.00 45.10 H new ATOM 0 HB3 PHE A 50 13.109 14.734 -14.260 1.00 45.10 H new ATOM 0 HD1 PHE A 50 10.778 13.821 -14.003 1.00 14.34 H new ATOM 0 HD2 PHE A 50 12.692 14.086 -17.798 1.00 2.34 H new ATOM 0 HE1 PHE A 50 9.135 12.261 -14.944 1.00 23.12 H new ATOM 0 HE2 PHE A 50 11.057 12.517 -18.737 1.00 54.04 H new ATOM 0 HZ PHE A 50 9.272 11.610 -17.311 1.00 54.01 H new ATOM 754 N SER A 51 12.654 18.483 -13.984 1.00 72.24 N ATOM 755 CA SER A 51 13.568 19.476 -13.268 1.00 51.04 C ATOM 756 C SER A 51 14.756 19.003 -12.445 1.00 65.04 C ATOM 757 O SER A 51 15.637 19.818 -12.146 1.00 1.40 O ATOM 758 CB SER A 51 12.726 20.492 -12.494 1.00 23.43 C ATOM 759 OG SER A 51 11.821 19.842 -11.617 1.00 33.25 O ATOM 0 H SER A 51 11.649 18.625 -13.883 1.00 72.24 H new ATOM 0 HA SER A 51 14.104 19.909 -14.112 1.00 51.04 H new ATOM 0 HB2 SER A 51 13.380 21.152 -11.923 1.00 23.43 H new ATOM 0 HB3 SER A 51 12.173 21.119 -13.193 1.00 23.43 H new ATOM 0 HG SER A 51 11.296 20.513 -11.133 1.00 33.25 H new ATOM 765 N ARG A 52 14.868 17.761 -12.141 1.00 53.15 N ATOM 766 CA ARG A 52 16.013 17.304 -11.424 1.00 14.54 C ATOM 767 C ARG A 52 16.538 16.105 -12.178 1.00 62.02 C ATOM 768 O ARG A 52 15.798 15.174 -12.490 1.00 23.21 O ATOM 769 CB ARG A 52 15.632 16.949 -9.991 1.00 15.25 C ATOM 770 CG ARG A 52 15.019 18.098 -9.193 1.00 53.32 C ATOM 771 CD ARG A 52 15.995 19.259 -9.023 1.00 14.31 C ATOM 772 NE ARG A 52 15.362 20.408 -8.365 1.00 62.23 N ATOM 773 CZ ARG A 52 15.365 20.633 -7.052 1.00 2.43 C ATOM 774 NH1 ARG A 52 15.994 19.797 -6.235 1.00 64.12 N ATOM 775 NH2 ARG A 52 14.731 21.688 -6.556 1.00 4.01 N ATOM 0 H ARG A 52 14.185 17.040 -12.375 1.00 53.15 H new ATOM 0 HA ARG A 52 16.782 18.074 -11.356 1.00 14.54 H new ATOM 0 HB2 ARG A 52 14.924 16.120 -10.012 1.00 15.25 H new ATOM 0 HB3 ARG A 52 16.521 16.596 -9.469 1.00 15.25 H new ATOM 0 HG2 ARG A 52 14.120 18.451 -9.698 1.00 53.32 H new ATOM 0 HG3 ARG A 52 14.712 17.735 -8.212 1.00 53.32 H new ATOM 0 HD2 ARG A 52 16.853 18.930 -8.436 1.00 14.31 H new ATOM 0 HD3 ARG A 52 16.374 19.562 -9.999 1.00 14.31 H new ATOM 0 HE ARG A 52 14.883 21.086 -8.958 1.00 62.23 H new ATOM 0 HH11 ARG A 52 16.476 18.981 -6.612 1.00 64.12 H new ATOM 0 HH12 ARG A 52 15.995 19.971 -5.230 1.00 64.12 H new ATOM 0 HH21 ARG A 52 14.240 22.328 -7.180 1.00 4.01 H new ATOM 0 HH22 ARG A 52 14.734 21.859 -5.550 1.00 4.01 H new ATOM 789 N THR A 53 17.809 16.162 -12.510 1.00 2.51 N ATOM 790 CA THR A 53 18.463 15.180 -13.346 1.00 0.45 C ATOM 791 C THR A 53 18.468 13.784 -12.699 1.00 64.23 C ATOM 792 O THR A 53 18.239 12.785 -13.374 1.00 4.24 O ATOM 793 CB THR A 53 19.892 15.644 -13.682 1.00 40.43 C ATOM 794 OG1 THR A 53 19.814 16.965 -14.252 1.00 52.45 O ATOM 795 CG2 THR A 53 20.529 14.721 -14.706 1.00 4.22 C ATOM 0 H THR A 53 18.430 16.909 -12.199 1.00 2.51 H new ATOM 0 HA THR A 53 17.894 15.093 -14.272 1.00 0.45 H new ATOM 0 HB THR A 53 20.493 15.636 -12.773 1.00 40.43 H new ATOM 0 HG1 THR A 53 20.716 17.280 -14.472 1.00 52.45 H new ATOM 0 HG21 THR A 53 21.538 15.067 -14.929 1.00 4.22 H new ATOM 0 HG22 THR A 53 20.573 13.708 -14.305 1.00 4.22 H new ATOM 0 HG23 THR A 53 19.934 14.725 -15.619 1.00 4.22 H new ATOM 803 N ASN A 54 18.675 13.718 -11.386 1.00 73.33 N ATOM 804 CA ASN A 54 18.611 12.426 -10.662 1.00 53.14 C ATOM 805 C ASN A 54 17.178 11.982 -10.542 1.00 71.15 C ATOM 806 O ASN A 54 16.884 10.809 -10.324 1.00 53.13 O ATOM 807 CB ASN A 54 19.262 12.479 -9.283 1.00 75.05 C ATOM 808 CG ASN A 54 20.747 12.720 -9.343 1.00 23.23 C ATOM 809 OD1 ASN A 54 21.408 12.348 -10.310 1.00 70.12 O ATOM 810 ND2 ASN A 54 21.285 13.334 -8.326 1.00 21.43 N ATOM 0 H ASN A 54 18.886 14.524 -10.798 1.00 73.33 H new ATOM 0 HA ASN A 54 19.181 11.704 -11.247 1.00 53.14 H new ATOM 0 HB2 ASN A 54 18.794 13.270 -8.697 1.00 75.05 H new ATOM 0 HB3 ASN A 54 19.072 11.541 -8.761 1.00 75.05 H new ATOM 0 HD21 ASN A 54 22.288 13.521 -8.315 1.00 21.43 H new ATOM 0 HD22 ASN A 54 20.703 13.628 -7.541 1.00 21.43 H new ATOM 817 N ASP A 55 16.308 12.926 -10.788 1.00 2.14 N ATOM 818 CA ASP A 55 14.903 12.608 -10.764 1.00 31.03 C ATOM 819 C ASP A 55 14.457 12.043 -12.069 1.00 21.15 C ATOM 820 O ASP A 55 13.543 11.217 -12.097 1.00 15.03 O ATOM 821 CB ASP A 55 13.988 13.724 -10.238 1.00 32.30 C ATOM 822 CG ASP A 55 14.179 14.003 -8.760 1.00 75.44 C ATOM 823 OD1 ASP A 55 15.288 14.410 -8.326 1.00 15.34 O ATOM 824 OD2 ASP A 55 13.215 13.815 -7.990 1.00 72.42 O ATOM 0 H ASP A 55 16.537 13.897 -11.002 1.00 2.14 H new ATOM 0 HA ASP A 55 14.793 11.829 -10.010 1.00 31.03 H new ATOM 0 HB2 ASP A 55 14.178 14.637 -10.802 1.00 32.30 H new ATOM 0 HB3 ASP A 55 12.949 13.449 -10.418 1.00 32.30 H new ATOM 829 N CYS A 56 15.077 12.456 -13.190 1.00 52.31 N ATOM 830 CA CYS A 56 14.797 11.743 -14.394 1.00 5.13 C ATOM 831 C CYS A 56 15.396 10.391 -14.299 1.00 21.13 C ATOM 832 O CYS A 56 14.858 9.492 -14.776 1.00 4.43 O ATOM 833 CB CYS A 56 15.176 12.407 -15.730 1.00 72.24 C ATOM 834 SG CYS A 56 16.901 12.730 -16.195 1.00 3.01 S ATOM 0 H CYS A 56 15.732 13.234 -13.264 1.00 52.31 H new ATOM 0 HA CYS A 56 13.708 11.719 -14.445 1.00 5.13 H new ATOM 0 HB2 CYS A 56 14.749 11.788 -16.519 1.00 72.24 H new ATOM 0 HB3 CYS A 56 14.658 13.366 -15.761 1.00 72.24 H new ATOM 839 N ARG A 57 16.529 10.273 -13.654 1.00 21.30 N ATOM 840 CA ARG A 57 17.147 8.943 -13.434 1.00 24.34 C ATOM 841 C ARG A 57 16.190 8.009 -12.698 1.00 4.02 C ATOM 842 O ARG A 57 16.128 6.820 -13.013 1.00 41.34 O ATOM 843 CB ARG A 57 18.447 9.057 -12.650 1.00 44.21 C ATOM 844 CG ARG A 57 19.394 10.009 -13.266 1.00 11.01 C ATOM 845 CD ARG A 57 20.841 9.702 -12.936 1.00 75.54 C ATOM 846 NE ARG A 57 21.271 8.415 -13.487 1.00 35.45 N ATOM 847 CZ ARG A 57 22.063 8.250 -14.571 1.00 11.30 C ATOM 848 NH1 ARG A 57 22.486 9.298 -15.284 1.00 23.12 N ATOM 849 NH2 ARG A 57 22.408 7.037 -14.940 1.00 21.35 N ATOM 0 H ARG A 57 17.055 11.057 -13.267 1.00 21.30 H new ATOM 0 HA ARG A 57 17.367 8.526 -14.417 1.00 24.34 H new ATOM 0 HB2 ARG A 57 18.227 9.375 -11.631 1.00 44.21 H new ATOM 0 HB3 ARG A 57 18.915 8.075 -12.583 1.00 44.21 H new ATOM 0 HG2 ARG A 57 19.263 9.995 -14.348 1.00 11.01 H new ATOM 0 HG3 ARG A 57 19.157 11.018 -12.930 1.00 11.01 H new ATOM 0 HD2 ARG A 57 21.478 10.495 -13.328 1.00 75.54 H new ATOM 0 HD3 ARG A 57 20.972 9.694 -11.854 1.00 75.54 H new ATOM 0 HE ARG A 57 20.946 7.572 -13.013 1.00 35.45 H new ATOM 0 HH11 ARG A 57 22.212 10.243 -15.014 1.00 23.12 H new ATOM 0 HH12 ARG A 57 23.083 9.153 -16.098 1.00 23.12 H new ATOM 0 HH21 ARG A 57 22.079 6.230 -14.410 1.00 21.35 H new ATOM 0 HH22 ARG A 57 23.005 6.903 -15.756 1.00 21.35 H new ATOM 863 N GLN A 58 15.509 8.554 -11.678 1.00 45.41 N ATOM 864 CA GLN A 58 14.459 7.824 -10.915 1.00 51.33 C ATOM 865 C GLN A 58 13.525 7.163 -11.836 1.00 40.02 C ATOM 866 O GLN A 58 13.393 5.945 -11.866 1.00 5.40 O ATOM 867 CB GLN A 58 13.642 8.764 -10.045 1.00 42.43 C ATOM 868 CG GLN A 58 14.408 9.444 -8.921 1.00 64.52 C ATOM 869 CD GLN A 58 14.971 8.445 -7.925 1.00 70.12 C ATOM 870 OE1 GLN A 58 16.100 7.968 -8.067 1.00 32.03 O ATOM 871 NE2 GLN A 58 14.191 8.096 -6.937 1.00 22.25 N ATOM 0 H GLN A 58 15.662 9.508 -11.352 1.00 45.41 H new ATOM 0 HA GLN A 58 14.976 7.097 -10.289 1.00 51.33 H new ATOM 0 HB2 GLN A 58 13.205 9.534 -10.682 1.00 42.43 H new ATOM 0 HB3 GLN A 58 12.815 8.203 -9.610 1.00 42.43 H new ATOM 0 HG2 GLN A 58 15.223 10.033 -9.343 1.00 64.52 H new ATOM 0 HG3 GLN A 58 13.748 10.139 -8.402 1.00 64.52 H new ATOM 0 HE21 GLN A 58 13.263 8.510 -6.849 1.00 22.25 H new ATOM 0 HE22 GLN A 58 14.510 7.409 -6.253 1.00 22.25 H new ATOM 880 N THR A 59 12.887 8.002 -12.519 1.00 1.20 N ATOM 881 CA THR A 59 12.057 7.782 -13.582 1.00 31.23 C ATOM 882 C THR A 59 12.727 6.824 -14.563 1.00 73.44 C ATOM 883 O THR A 59 12.512 5.604 -14.530 1.00 24.41 O ATOM 884 CB THR A 59 11.973 9.271 -14.111 1.00 41.31 C ATOM 885 OG1 THR A 59 11.311 10.139 -13.190 1.00 55.44 O ATOM 886 CG2 THR A 59 11.551 9.532 -15.513 1.00 35.23 C ATOM 0 H THR A 59 12.953 8.997 -12.305 1.00 1.20 H new ATOM 0 HA THR A 59 11.089 7.320 -13.388 1.00 31.23 H new ATOM 0 HB THR A 59 13.035 9.512 -14.167 1.00 41.31 H new ATOM 0 HG1 THR A 59 11.966 10.740 -12.778 1.00 55.44 H new ATOM 0 HG21 THR A 59 11.551 10.606 -15.699 1.00 35.23 H new ATOM 0 HG22 THR A 59 12.245 9.045 -16.198 1.00 35.23 H new ATOM 0 HG23 THR A 59 10.547 9.137 -15.670 1.00 35.23 H new ATOM 894 N CYS A 60 13.560 7.359 -15.300 1.00 44.22 N ATOM 895 CA CYS A 60 14.024 6.770 -16.511 1.00 0.14 C ATOM 896 C CYS A 60 14.996 7.684 -17.158 1.00 12.23 C ATOM 897 O CYS A 60 14.622 8.790 -17.557 1.00 4.23 O ATOM 898 CB CYS A 60 12.870 6.610 -17.559 1.00 4.45 C ATOM 899 SG CYS A 60 11.352 5.656 -17.159 1.00 24.21 S ATOM 0 H CYS A 60 13.981 8.266 -15.099 1.00 44.22 H new ATOM 0 HA CYS A 60 14.448 5.802 -16.245 1.00 0.14 H new ATOM 0 HB2 CYS A 60 12.551 7.614 -17.838 1.00 4.45 H new ATOM 0 HB3 CYS A 60 13.307 6.156 -18.448 1.00 4.45 H new