USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=15 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 Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.385 K(o=-0.39,f=-5.1!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00479 USER MOD Single : A 18 SER OG : rot 180:sc= -1.7! USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 21 LYS NZ :NH3+ -137:sc= 0.831 (180deg=-0.0107) USER MOD Single : A 24 GLN : amide:sc= -0.034 X(o=-0.034,f=0) 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 29 ASN : amide:sc= -4.96! C(o=-5!,f=-9.2!) USER MOD Single : A 30 SER OG : rot -70:sc= 1.26 USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.0158 (180deg=-0.166) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.44) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 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= -0.262 K(o=-0.26,f=-0.87) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= 0.195 K(o=0.19,f=-0.52!) USER MOD Single : A 49 ASN : amide:sc= -1.96! C(o=-2!,f=-6.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00246 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 58 GLN : amide:sc= 0.0226 X(o=0.023,f=-0.0088) USER MOD Single : A 59 THR OG1 : rot 103:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 9 5.513 9.450 -19.740 1.00 63.52 N ATOM 135 CA TYR A 9 6.286 10.678 -19.702 1.00 34.42 C ATOM 136 C TYR A 9 7.696 10.450 -20.114 1.00 55.13 C ATOM 137 O TYR A 9 8.212 11.215 -20.882 1.00 2.24 O ATOM 138 CB TYR A 9 6.246 11.248 -18.301 1.00 55.24 C ATOM 139 CG TYR A 9 4.876 11.661 -17.913 1.00 40.45 C ATOM 140 CD1 TYR A 9 4.017 12.132 -18.877 1.00 51.43 C ATOM 141 CD2 TYR A 9 4.434 11.574 -16.606 1.00 65.14 C ATOM 142 CE1 TYR A 9 2.729 12.523 -18.556 1.00 0.14 C ATOM 143 CE2 TYR A 9 3.159 11.958 -16.266 1.00 33.35 C ATOM 144 CZ TYR A 9 2.307 12.434 -17.240 1.00 61.31 C ATOM 145 OH TYR A 9 1.036 12.828 -16.891 1.00 35.12 O ATOM 0 HA TYR A 9 5.845 11.383 -20.407 1.00 34.42 H new ATOM 0 HB2 TYR A 9 6.615 10.504 -17.595 1.00 55.24 H new ATOM 0 HB3 TYR A 9 6.916 12.106 -18.238 1.00 55.24 H new ATOM 0 HD1 TYR A 9 4.353 12.198 -19.901 1.00 51.43 H new ATOM 0 HD2 TYR A 9 5.099 11.199 -15.842 1.00 65.14 H new ATOM 0 HE1 TYR A 9 2.062 12.892 -19.321 1.00 0.14 H new ATOM 0 HE2 TYR A 9 2.826 11.887 -15.241 1.00 33.35 H new ATOM 0 HH TYR A 9 0.906 12.697 -15.929 1.00 35.12 H new ATOM 155 N CYS A 10 8.298 9.353 -19.617 1.00 73.34 N ATOM 156 CA CYS A 10 9.627 8.985 -19.995 1.00 51.50 C ATOM 157 C CYS A 10 9.716 9.006 -21.493 1.00 61.01 C ATOM 158 O CYS A 10 10.508 9.724 -22.065 1.00 10.15 O ATOM 159 CB CYS A 10 9.920 7.535 -19.623 1.00 11.31 C ATOM 160 SG CYS A 10 9.910 7.146 -17.878 1.00 21.21 S ATOM 0 H CYS A 10 7.860 8.718 -18.949 1.00 73.34 H new ATOM 0 HA CYS A 10 10.313 9.672 -19.499 1.00 51.50 H new ATOM 0 HB2 CYS A 10 9.186 6.900 -20.119 1.00 11.31 H new ATOM 0 HB3 CYS A 10 10.897 7.269 -20.027 1.00 11.31 H new ATOM 165 N ASN A 11 8.770 8.393 -22.136 1.00 41.20 N ATOM 166 CA ASN A 11 8.945 8.111 -23.571 1.00 55.23 C ATOM 167 C ASN A 11 8.445 9.234 -24.449 1.00 43.32 C ATOM 168 O ASN A 11 8.437 9.114 -25.682 1.00 61.00 O ATOM 169 CB ASN A 11 8.361 6.800 -24.043 1.00 3.13 C ATOM 170 CG ASN A 11 8.847 5.543 -23.298 1.00 1.20 C ATOM 171 OD1 ASN A 11 9.150 5.571 -22.109 1.00 34.32 O ATOM 172 ND2 ASN A 11 8.938 4.438 -24.004 1.00 3.23 N ATOM 0 H ASN A 11 7.889 8.078 -21.729 1.00 41.20 H new ATOM 0 HA ASN A 11 10.027 8.024 -23.675 1.00 55.23 H new ATOM 0 HB2 ASN A 11 7.276 6.855 -23.955 1.00 3.13 H new ATOM 0 HB3 ASN A 11 8.589 6.683 -25.102 1.00 3.13 H new ATOM 0 HD21 ASN A 11 9.267 3.578 -23.565 1.00 3.23 H new ATOM 0 HD22 ASN A 11 8.680 4.441 -24.991 1.00 3.23 H new ATOM 179 N LEU A 12 7.980 10.291 -23.845 1.00 62.02 N ATOM 180 CA LEU A 12 7.384 11.395 -24.577 1.00 22.33 C ATOM 181 C LEU A 12 8.461 12.302 -25.195 1.00 52.14 C ATOM 182 O LEU A 12 9.533 12.489 -24.633 1.00 22.52 O ATOM 183 CB LEU A 12 6.472 12.219 -23.662 1.00 74.02 C ATOM 184 CG LEU A 12 5.235 11.515 -23.108 1.00 33.44 C ATOM 185 CD1 LEU A 12 4.379 12.497 -22.335 1.00 45.43 C ATOM 186 CD2 LEU A 12 4.429 10.867 -24.218 1.00 54.45 C ATOM 0 H LEU A 12 7.999 10.421 -22.833 1.00 62.02 H new ATOM 0 HA LEU A 12 6.788 10.970 -25.385 1.00 22.33 H new ATOM 0 HB2 LEU A 12 7.066 12.574 -22.820 1.00 74.02 H new ATOM 0 HB3 LEU A 12 6.143 13.100 -24.214 1.00 74.02 H new ATOM 0 HG LEU A 12 5.566 10.726 -22.433 1.00 33.44 H new ATOM 0 HD11 LEU A 12 3.500 11.984 -21.945 1.00 45.43 H new ATOM 0 HD12 LEU A 12 4.956 12.910 -21.507 1.00 45.43 H new ATOM 0 HD13 LEU A 12 4.064 13.304 -22.996 1.00 45.43 H new ATOM 0 HD21 LEU A 12 3.555 10.374 -23.793 1.00 54.45 H new ATOM 0 HD22 LEU A 12 4.106 11.630 -24.926 1.00 54.45 H new ATOM 0 HD23 LEU A 12 5.046 10.131 -24.733 1.00 54.45 H new ATOM 198 N PRO A 13 8.200 12.839 -26.382 1.00 24.31 N ATOM 199 CA PRO A 13 9.110 13.764 -27.049 1.00 64.31 C ATOM 200 C PRO A 13 8.973 15.197 -26.492 1.00 4.13 C ATOM 201 O PRO A 13 7.901 15.597 -26.025 1.00 3.53 O ATOM 202 CB PRO A 13 8.647 13.718 -28.510 1.00 3.22 C ATOM 203 CG PRO A 13 7.572 12.688 -28.576 1.00 31.21 C ATOM 204 CD PRO A 13 7.024 12.569 -27.199 1.00 63.35 C ATOM 0 HA PRO A 13 10.156 13.491 -26.910 1.00 64.31 H new ATOM 0 HB2 PRO A 13 8.274 14.691 -28.830 1.00 3.22 H new ATOM 0 HB3 PRO A 13 9.474 13.460 -29.172 1.00 3.22 H new ATOM 0 HG2 PRO A 13 6.794 12.983 -29.280 1.00 31.21 H new ATOM 0 HG3 PRO A 13 7.969 11.733 -28.921 1.00 31.21 H new ATOM 0 HD2 PRO A 13 6.225 13.287 -27.014 1.00 63.35 H new ATOM 0 HD3 PRO A 13 6.613 11.578 -27.008 1.00 63.35 H new ATOM 212 N ALA A 14 10.074 15.929 -26.508 1.00 53.14 N ATOM 213 CA ALA A 14 10.125 17.306 -26.013 1.00 12.20 C ATOM 214 C ALA A 14 9.283 18.270 -26.874 1.00 2.41 C ATOM 215 O ALA A 14 9.290 18.171 -28.115 1.00 40.44 O ATOM 216 CB ALA A 14 11.561 17.766 -25.979 1.00 1.44 C ATOM 0 H ALA A 14 10.966 15.588 -26.866 1.00 53.14 H new ATOM 0 HA ALA A 14 9.699 17.318 -25.010 1.00 12.20 H new ATOM 0 HB1 ALA A 14 11.606 18.791 -25.611 1.00 1.44 H new ATOM 0 HB2 ALA A 14 12.135 17.117 -25.317 1.00 1.44 H new ATOM 0 HB3 ALA A 14 11.981 17.722 -26.984 1.00 1.44 H new ATOM 222 N ASP A 15 8.588 19.196 -26.225 1.00 65.05 N ATOM 223 CA ASP A 15 7.883 20.298 -26.875 1.00 43.11 C ATOM 224 C ASP A 15 8.210 21.600 -26.193 1.00 35.33 C ATOM 225 O ASP A 15 7.926 21.799 -25.017 1.00 13.24 O ATOM 226 CB ASP A 15 6.366 20.122 -27.023 1.00 73.52 C ATOM 227 CG ASP A 15 5.953 19.043 -27.985 1.00 70.15 C ATOM 228 OD1 ASP A 15 5.886 19.329 -29.207 1.00 3.51 O ATOM 229 OD2 ASP A 15 5.646 17.911 -27.570 1.00 74.30 O ATOM 0 H ASP A 15 8.496 19.203 -25.209 1.00 65.05 H new ATOM 0 HA ASP A 15 8.253 20.304 -27.900 1.00 43.11 H new ATOM 0 HB2 ASP A 15 5.942 19.900 -26.044 1.00 73.52 H new ATOM 0 HB3 ASP A 15 5.934 21.068 -27.350 1.00 73.52 H new ATOM 234 N SER A 16 8.878 22.445 -26.904 1.00 3.01 N ATOM 235 CA SER A 16 9.421 23.633 -26.330 1.00 62.53 C ATOM 236 C SER A 16 8.396 24.785 -26.166 1.00 72.14 C ATOM 237 O SER A 16 8.437 25.518 -25.176 1.00 73.35 O ATOM 238 CB SER A 16 10.630 24.086 -27.107 1.00 13.13 C ATOM 239 OG SER A 16 10.323 24.247 -28.487 1.00 44.01 O ATOM 0 H SER A 16 9.064 22.333 -27.901 1.00 3.01 H new ATOM 0 HA SER A 16 9.720 23.370 -25.315 1.00 62.53 H new ATOM 0 HB2 SER A 16 10.995 25.029 -26.700 1.00 13.13 H new ATOM 0 HB3 SER A 16 11.433 23.358 -26.993 1.00 13.13 H new ATOM 0 HG SER A 16 11.124 24.543 -28.968 1.00 44.01 H new ATOM 245 N GLY A 17 7.427 24.875 -27.070 1.00 23.22 N ATOM 246 CA GLY A 17 6.537 26.030 -27.077 1.00 73.12 C ATOM 247 C GLY A 17 7.236 27.273 -27.651 1.00 61.32 C ATOM 248 O GLY A 17 8.380 27.240 -28.120 1.00 44.04 O ATOM 0 H GLY A 17 7.240 24.179 -27.792 1.00 23.22 H new ATOM 0 HA2 GLY A 17 5.650 25.804 -27.668 1.00 73.12 H new ATOM 0 HA3 GLY A 17 6.199 26.237 -26.062 1.00 73.12 H new ATOM 252 N SER A 18 6.493 28.373 -27.518 1.00 12.33 N ATOM 253 CA SER A 18 6.885 29.615 -28.244 1.00 62.44 C ATOM 254 C SER A 18 7.750 30.487 -27.337 1.00 41.34 C ATOM 255 O SER A 18 8.182 31.595 -27.665 1.00 65.30 O ATOM 256 CB SER A 18 5.625 30.353 -28.688 1.00 10.24 C ATOM 257 OG SER A 18 4.782 30.583 -27.569 1.00 24.03 O ATOM 0 H SER A 18 5.652 28.447 -26.946 1.00 12.33 H new ATOM 0 HA SER A 18 7.470 29.367 -29.129 1.00 62.44 H new ATOM 0 HB2 SER A 18 5.893 31.301 -29.154 1.00 10.24 H new ATOM 0 HB3 SER A 18 5.095 29.767 -29.439 1.00 10.24 H new ATOM 0 HG SER A 18 3.976 31.058 -27.859 1.00 24.03 H new ATOM 263 N GLY A 19 7.968 29.906 -26.223 1.00 64.21 N ATOM 264 CA GLY A 19 8.932 30.449 -25.346 1.00 43.31 C ATOM 265 C GLY A 19 8.424 31.465 -24.390 1.00 51.41 C ATOM 266 O GLY A 19 7.602 32.320 -24.715 1.00 4.34 O ATOM 0 H GLY A 19 7.498 29.062 -25.896 1.00 64.21 H new ATOM 0 HA2 GLY A 19 9.382 29.634 -24.779 1.00 43.31 H new ATOM 0 HA3 GLY A 19 9.726 30.900 -25.941 1.00 43.31 H new ATOM 270 N THR A 20 8.916 31.345 -23.221 1.00 23.33 N ATOM 271 CA THR A 20 8.749 32.213 -22.126 1.00 11.25 C ATOM 272 C THR A 20 9.929 32.022 -21.166 1.00 32.23 C ATOM 273 O THR A 20 10.671 32.966 -20.897 1.00 14.01 O ATOM 274 CB THR A 20 7.340 31.962 -21.496 1.00 12.43 C ATOM 275 OG1 THR A 20 6.176 32.344 -22.220 1.00 21.43 O ATOM 276 CG2 THR A 20 7.141 30.528 -20.952 1.00 15.54 C ATOM 0 H THR A 20 9.510 30.551 -22.982 1.00 23.33 H new ATOM 0 HA THR A 20 8.764 33.263 -22.418 1.00 11.25 H new ATOM 0 HB THR A 20 7.406 32.685 -20.683 1.00 12.43 H new ATOM 0 HG1 THR A 20 5.378 32.121 -21.697 1.00 21.43 H new ATOM 0 HG21 THR A 20 6.140 30.434 -20.532 1.00 15.54 H new ATOM 0 HG22 THR A 20 7.263 29.811 -21.764 1.00 15.54 H new ATOM 0 HG23 THR A 20 7.880 30.327 -20.177 1.00 15.54 H new ATOM 284 N LYS A 21 10.113 30.845 -20.695 1.00 0.21 N ATOM 285 CA LYS A 21 11.260 30.577 -19.878 1.00 43.32 C ATOM 286 C LYS A 21 12.159 29.667 -20.675 1.00 71.04 C ATOM 287 O LYS A 21 11.898 28.486 -20.741 1.00 12.14 O ATOM 288 CB LYS A 21 10.873 29.843 -18.601 1.00 53.11 C ATOM 289 CG LYS A 21 9.910 30.556 -17.670 1.00 20.13 C ATOM 290 CD LYS A 21 9.681 29.689 -16.444 1.00 51.31 C ATOM 291 CE LYS A 21 10.977 29.514 -15.659 1.00 43.11 C ATOM 292 NZ LYS A 21 10.942 28.332 -14.792 1.00 0.54 N ATOM 0 H LYS A 21 9.495 30.049 -20.853 1.00 0.21 H new ATOM 0 HA LYS A 21 11.739 31.517 -19.606 1.00 43.32 H new ATOM 0 HB2 LYS A 21 10.432 28.886 -18.879 1.00 53.11 H new ATOM 0 HB3 LYS A 21 11.785 29.624 -18.045 1.00 53.11 H new ATOM 0 HG2 LYS A 21 10.316 31.524 -17.377 1.00 20.13 H new ATOM 0 HG3 LYS A 21 8.965 30.747 -18.179 1.00 20.13 H new ATOM 0 HD2 LYS A 21 8.923 30.144 -15.807 1.00 51.31 H new ATOM 0 HD3 LYS A 21 9.299 28.714 -16.748 1.00 51.31 H new ATOM 0 HE2 LYS A 21 11.812 29.429 -16.354 1.00 43.11 H new ATOM 0 HE3 LYS A 21 11.156 30.402 -15.053 1.00 43.11 H new ATOM 0 HZ1 LYS A 21 11.348 28.570 -13.864 1.00 0.54 H new ATOM 0 HZ2 LYS A 21 9.957 28.020 -14.670 1.00 0.54 H new ATOM 0 HZ3 LYS A 21 11.496 27.566 -15.226 1.00 0.54 H new ATOM 306 N PRO A 22 13.200 30.191 -21.311 1.00 34.23 N ATOM 307 CA PRO A 22 14.129 29.382 -22.072 1.00 42.51 C ATOM 308 C PRO A 22 15.177 28.803 -21.141 1.00 12.14 C ATOM 309 O PRO A 22 16.080 29.519 -20.676 1.00 75.31 O ATOM 310 CB PRO A 22 14.769 30.386 -23.056 1.00 55.31 C ATOM 311 CG PRO A 22 14.179 31.729 -22.720 1.00 12.23 C ATOM 312 CD PRO A 22 13.569 31.602 -21.356 1.00 70.04 C ATOM 0 HA PRO A 22 13.658 28.542 -22.582 1.00 42.51 H new ATOM 0 HB2 PRO A 22 15.854 30.399 -22.950 1.00 55.31 H new ATOM 0 HB3 PRO A 22 14.553 30.112 -24.089 1.00 55.31 H new ATOM 0 HG2 PRO A 22 14.947 32.503 -22.730 1.00 12.23 H new ATOM 0 HG3 PRO A 22 13.427 32.016 -23.455 1.00 12.23 H new ATOM 0 HD2 PRO A 22 14.276 31.863 -20.568 1.00 70.04 H new ATOM 0 HD3 PRO A 22 12.703 32.253 -21.235 1.00 70.04 H new ATOM 320 N GLU A 23 15.066 27.538 -20.844 1.00 3.32 N ATOM 321 CA GLU A 23 15.944 26.895 -19.895 1.00 35.43 C ATOM 322 C GLU A 23 16.486 25.624 -20.527 1.00 35.52 C ATOM 323 O GLU A 23 16.026 25.221 -21.617 1.00 71.04 O ATOM 324 CB GLU A 23 15.150 26.509 -18.628 1.00 42.50 C ATOM 325 CG GLU A 23 14.426 27.655 -17.932 1.00 43.35 C ATOM 326 CD GLU A 23 13.817 27.234 -16.616 1.00 52.25 C ATOM 327 OE1 GLU A 23 14.531 27.268 -15.590 1.00 61.21 O ATOM 328 OE2 GLU A 23 12.612 26.837 -16.570 1.00 43.23 O ATOM 0 H GLU A 23 14.365 26.919 -21.251 1.00 3.32 H new ATOM 0 HA GLU A 23 16.754 27.573 -19.628 1.00 35.43 H new ATOM 0 HB2 GLU A 23 14.416 25.750 -18.898 1.00 42.50 H new ATOM 0 HB3 GLU A 23 15.836 26.050 -17.916 1.00 42.50 H new ATOM 0 HG2 GLU A 23 15.126 28.473 -17.761 1.00 43.35 H new ATOM 0 HG3 GLU A 23 13.643 28.037 -18.586 1.00 43.35 H new ATOM 335 N GLN A 24 17.462 25.004 -19.886 1.00 73.02 N ATOM 336 CA GLN A 24 17.849 23.677 -20.266 1.00 73.51 C ATOM 337 C GLN A 24 16.996 22.808 -19.465 1.00 62.24 C ATOM 338 O GLN A 24 16.882 23.040 -18.265 1.00 13.42 O ATOM 339 CB GLN A 24 19.306 23.327 -20.039 1.00 64.54 C ATOM 340 CG GLN A 24 20.271 24.107 -20.874 1.00 13.25 C ATOM 341 CD GLN A 24 20.700 25.401 -20.222 1.00 70.40 C ATOM 342 OE1 GLN A 24 21.660 25.429 -19.464 1.00 21.21 O ATOM 343 NE2 GLN A 24 20.043 26.475 -20.541 1.00 73.12 N ATOM 0 H GLN A 24 17.990 25.402 -19.109 1.00 73.02 H new ATOM 0 HA GLN A 24 17.730 23.567 -21.344 1.00 73.51 H new ATOM 0 HB2 GLN A 24 19.545 23.486 -18.987 1.00 64.54 H new ATOM 0 HB3 GLN A 24 19.447 22.265 -20.241 1.00 64.54 H new ATOM 0 HG2 GLN A 24 21.152 23.495 -21.070 1.00 13.25 H new ATOM 0 HG3 GLN A 24 19.814 24.326 -21.839 1.00 13.25 H new ATOM 0 HE21 GLN A 24 19.247 26.416 -21.176 1.00 73.12 H new ATOM 0 HE22 GLN A 24 20.323 27.377 -20.156 1.00 73.12 H new ATOM 352 N ARG A 25 16.442 21.813 -20.021 1.00 12.32 N ATOM 353 CA ARG A 25 15.709 20.846 -19.252 1.00 70.52 C ATOM 354 C ARG A 25 16.117 19.521 -19.697 1.00 24.23 C ATOM 355 O ARG A 25 16.923 19.436 -20.589 1.00 24.13 O ATOM 356 CB ARG A 25 14.246 21.002 -19.409 1.00 1.12 C ATOM 357 CG ARG A 25 13.704 22.313 -18.843 1.00 22.52 C ATOM 358 CD ARG A 25 14.096 22.458 -17.403 1.00 3.33 C ATOM 359 NE ARG A 25 13.532 23.634 -16.737 1.00 31.42 N ATOM 360 CZ ARG A 25 13.420 23.739 -15.404 1.00 43.44 C ATOM 361 NH1 ARG A 25 14.027 22.853 -14.623 1.00 42.10 N ATOM 362 NH2 ARG A 25 12.834 24.781 -14.868 1.00 13.13 N ATOM 0 H ARG A 25 16.471 21.626 -21.023 1.00 12.32 H new ATOM 0 HA ARG A 25 15.930 20.993 -18.195 1.00 70.52 H new ATOM 0 HB2 ARG A 25 13.995 20.942 -20.468 1.00 1.12 H new ATOM 0 HB3 ARG A 25 13.746 20.169 -18.915 1.00 1.12 H new ATOM 0 HG2 ARG A 25 14.091 23.154 -19.419 1.00 22.52 H new ATOM 0 HG3 ARG A 25 12.618 22.336 -18.936 1.00 22.52 H new ATOM 0 HD2 ARG A 25 13.783 21.565 -16.862 1.00 3.33 H new ATOM 0 HD3 ARG A 25 15.183 22.505 -17.338 1.00 3.33 H new ATOM 0 HE ARG A 25 13.209 24.410 -17.314 1.00 31.42 H new ATOM 0 HH11 ARG A 25 14.574 22.098 -15.037 1.00 42.10 H new ATOM 0 HH12 ARG A 25 13.946 22.927 -13.609 1.00 42.10 H new ATOM 0 HH21 ARG A 25 12.460 25.519 -15.465 1.00 13.13 H new ATOM 0 HH22 ARG A 25 12.752 24.855 -13.854 1.00 13.13 H new ATOM 376 N ILE A 26 15.544 18.485 -19.146 1.00 13.34 N ATOM 377 CA ILE A 26 16.049 17.173 -19.403 1.00 21.34 C ATOM 378 C ILE A 26 14.876 16.174 -19.521 1.00 64.43 C ATOM 379 O ILE A 26 13.990 16.215 -18.724 1.00 41.33 O ATOM 380 CB ILE A 26 16.908 16.747 -18.167 1.00 73.43 C ATOM 381 CG1 ILE A 26 17.961 17.796 -17.817 1.00 63.43 C ATOM 382 CG2 ILE A 26 17.637 15.473 -18.480 1.00 11.24 C ATOM 383 CD1 ILE A 26 18.503 17.651 -16.432 1.00 40.03 C ATOM 0 H ILE A 26 14.737 18.527 -18.524 1.00 13.34 H new ATOM 0 HA ILE A 26 16.630 17.174 -20.325 1.00 21.34 H new ATOM 0 HB ILE A 26 16.224 16.626 -17.327 1.00 73.43 H new ATOM 0 HG12 ILE A 26 18.783 17.728 -18.530 1.00 63.43 H new ATOM 0 HG13 ILE A 26 17.525 18.789 -17.927 1.00 63.43 H new ATOM 0 HG21 ILE A 26 18.236 15.176 -17.619 1.00 11.24 H new ATOM 0 HG22 ILE A 26 16.916 14.688 -18.709 1.00 11.24 H new ATOM 0 HG23 ILE A 26 18.289 15.629 -19.339 1.00 11.24 H new ATOM 0 HD11 ILE A 26 19.246 18.427 -16.249 1.00 40.03 H new ATOM 0 HD12 ILE A 26 17.691 17.749 -15.711 1.00 40.03 H new ATOM 0 HD13 ILE A 26 18.968 16.671 -16.324 1.00 40.03 H new ATOM 395 N TYR A 27 14.862 15.337 -20.534 1.00 2.23 N ATOM 396 CA TYR A 27 13.697 14.489 -20.836 1.00 34.42 C ATOM 397 C TYR A 27 14.277 13.148 -21.294 1.00 21.24 C ATOM 398 O TYR A 27 15.448 13.081 -21.687 1.00 24.22 O ATOM 399 CB TYR A 27 12.858 15.118 -21.992 1.00 53.13 C ATOM 400 CG TYR A 27 13.515 15.106 -23.356 1.00 62.11 C ATOM 401 CD1 TYR A 27 14.429 16.068 -23.743 1.00 20.44 C ATOM 402 CD2 TYR A 27 13.199 14.102 -24.261 1.00 34.22 C ATOM 403 CE1 TYR A 27 15.010 16.012 -25.005 1.00 10.53 C ATOM 404 CE2 TYR A 27 13.770 14.048 -25.501 1.00 72.33 C ATOM 405 CZ TYR A 27 14.675 14.997 -25.871 1.00 54.42 C ATOM 406 OH TYR A 27 15.236 14.943 -27.128 1.00 25.02 O ATOM 0 H TYR A 27 15.645 15.214 -21.176 1.00 2.23 H new ATOM 0 HA TYR A 27 13.042 14.382 -19.971 1.00 34.42 H new ATOM 0 HB2 TYR A 27 11.909 14.585 -22.060 1.00 53.13 H new ATOM 0 HB3 TYR A 27 12.626 16.150 -21.729 1.00 53.13 H new ATOM 0 HD1 TYR A 27 14.692 16.865 -23.064 1.00 20.44 H new ATOM 0 HD2 TYR A 27 12.484 13.344 -23.978 1.00 34.22 H new ATOM 0 HE1 TYR A 27 15.724 16.765 -25.305 1.00 10.53 H new ATOM 0 HE2 TYR A 27 13.505 13.256 -26.186 1.00 72.33 H new ATOM 0 HH TYR A 27 14.890 14.161 -27.607 1.00 25.02 H new ATOM 416 N TYR A 28 13.490 12.074 -21.210 1.00 72.54 N ATOM 417 CA TYR A 28 13.907 10.747 -21.608 1.00 14.02 C ATOM 418 C TYR A 28 13.732 10.576 -23.129 1.00 73.31 C ATOM 419 O TYR A 28 12.707 10.930 -23.713 1.00 12.11 O ATOM 420 CB TYR A 28 13.156 9.655 -20.779 1.00 15.12 C ATOM 421 CG TYR A 28 13.339 8.175 -21.183 1.00 22.43 C ATOM 422 CD1 TYR A 28 14.325 7.377 -20.673 1.00 30.11 C ATOM 423 CD2 TYR A 28 12.430 7.583 -22.034 1.00 62.34 C ATOM 424 CE1 TYR A 28 14.388 6.030 -21.008 1.00 13.23 C ATOM 425 CE2 TYR A 28 12.487 6.270 -22.379 1.00 31.32 C ATOM 426 CZ TYR A 28 13.456 5.497 -21.867 1.00 24.32 C ATOM 427 OH TYR A 28 13.491 4.174 -22.198 1.00 44.04 O ATOM 0 H TYR A 28 12.534 12.112 -20.857 1.00 72.54 H new ATOM 0 HA TYR A 28 14.967 10.618 -21.389 1.00 14.02 H new ATOM 0 HB2 TYR A 28 13.465 9.756 -19.739 1.00 15.12 H new ATOM 0 HB3 TYR A 28 12.091 9.881 -20.819 1.00 15.12 H new ATOM 0 HD1 TYR A 28 15.061 7.797 -20.004 1.00 30.11 H new ATOM 0 HD2 TYR A 28 11.637 8.190 -22.445 1.00 62.34 H new ATOM 0 HE1 TYR A 28 15.166 5.404 -20.595 1.00 13.23 H new ATOM 0 HE2 TYR A 28 11.759 5.853 -23.059 1.00 31.32 H new ATOM 0 HH TYR A 28 12.757 3.972 -22.815 1.00 44.04 H new ATOM 437 N ASN A 29 14.775 10.099 -23.714 1.00 55.41 N ATOM 438 CA ASN A 29 14.690 9.782 -25.139 1.00 54.14 C ATOM 439 C ASN A 29 13.852 8.550 -25.307 1.00 1.41 C ATOM 440 O ASN A 29 14.016 7.569 -24.625 1.00 72.44 O ATOM 441 CB ASN A 29 16.033 9.489 -25.757 1.00 41.04 C ATOM 442 CG ASN A 29 16.988 10.625 -25.836 1.00 42.50 C ATOM 443 OD1 ASN A 29 18.166 10.424 -25.690 1.00 72.05 O ATOM 444 ND2 ASN A 29 16.517 11.776 -26.215 1.00 50.44 N ATOM 0 H ASN A 29 15.675 9.917 -23.269 1.00 55.41 H new ATOM 0 HA ASN A 29 14.264 10.655 -25.633 1.00 54.14 H new ATOM 0 HB2 ASN A 29 16.503 8.687 -25.188 1.00 41.04 H new ATOM 0 HB3 ASN A 29 15.869 9.110 -26.766 1.00 41.04 H new ATOM 0 HD21 ASN A 29 17.153 12.551 -26.401 1.00 50.44 H new ATOM 0 HD22 ASN A 29 15.511 11.904 -26.327 1.00 50.44 H new ATOM 451 N SER A 30 13.086 8.599 -26.387 1.00 45.20 N ATOM 452 CA SER A 30 12.006 7.651 -26.700 1.00 34.01 C ATOM 453 C SER A 30 12.696 6.452 -27.377 1.00 62.35 C ATOM 454 O SER A 30 12.679 5.326 -26.884 1.00 13.34 O ATOM 455 CB SER A 30 11.037 8.315 -27.702 1.00 74.44 C ATOM 456 OG SER A 30 10.565 9.564 -27.210 1.00 54.30 O ATOM 0 H SER A 30 13.196 9.321 -27.099 1.00 45.20 H new ATOM 0 HA SER A 30 11.445 7.352 -25.815 1.00 34.01 H new ATOM 0 HB2 SER A 30 11.542 8.464 -28.656 1.00 74.44 H new ATOM 0 HB3 SER A 30 10.192 7.652 -27.889 1.00 74.44 H new ATOM 0 HG SER A 30 9.955 9.410 -26.458 1.00 54.30 H new ATOM 462 N ALA A 31 13.288 6.770 -28.545 1.00 14.44 N ATOM 463 CA ALA A 31 14.128 5.816 -29.292 1.00 43.21 C ATOM 464 C ALA A 31 15.290 5.312 -28.420 1.00 51.34 C ATOM 465 O ALA A 31 15.463 4.131 -28.144 1.00 23.12 O ATOM 466 CB ALA A 31 14.644 6.437 -30.575 1.00 22.25 C ATOM 0 H ALA A 31 13.199 7.683 -28.992 1.00 14.44 H new ATOM 0 HA ALA A 31 13.509 4.959 -29.559 1.00 43.21 H new ATOM 0 HB1 ALA A 31 15.261 5.713 -31.107 1.00 22.25 H new ATOM 0 HB2 ALA A 31 13.802 6.728 -31.203 1.00 22.25 H new ATOM 0 HB3 ALA A 31 15.241 7.318 -30.338 1.00 22.25 H new ATOM 472 N LYS A 32 16.072 6.311 -28.013 1.00 52.34 N ATOM 473 CA LYS A 32 17.446 6.142 -27.504 1.00 32.45 C ATOM 474 C LYS A 32 17.573 5.707 -26.069 1.00 54.25 C ATOM 475 O LYS A 32 18.601 5.244 -25.620 1.00 53.21 O ATOM 476 CB LYS A 32 18.200 7.450 -27.589 1.00 74.35 C ATOM 477 CG LYS A 32 18.219 8.093 -28.929 1.00 1.13 C ATOM 478 CD LYS A 32 19.147 9.287 -28.901 1.00 60.34 C ATOM 479 CE LYS A 32 19.281 9.948 -30.254 1.00 21.01 C ATOM 480 NZ LYS A 32 19.911 9.055 -31.243 1.00 60.12 N ATOM 0 H LYS A 32 15.768 7.284 -28.025 1.00 52.34 H new ATOM 0 HA LYS A 32 17.846 5.350 -28.137 1.00 32.45 H new ATOM 0 HB2 LYS A 32 17.762 8.149 -26.876 1.00 74.35 H new ATOM 0 HB3 LYS A 32 19.229 7.277 -27.274 1.00 74.35 H new ATOM 0 HG2 LYS A 32 18.551 7.379 -29.683 1.00 1.13 H new ATOM 0 HG3 LYS A 32 17.213 8.407 -29.208 1.00 1.13 H new ATOM 0 HD2 LYS A 32 18.775 10.015 -28.180 1.00 60.34 H new ATOM 0 HD3 LYS A 32 20.131 8.970 -28.556 1.00 60.34 H new ATOM 0 HE2 LYS A 32 18.295 10.247 -30.611 1.00 21.01 H new ATOM 0 HE3 LYS A 32 19.874 10.857 -30.156 1.00 21.01 H new ATOM 0 HZ1 LYS A 32 20.185 9.605 -32.082 1.00 60.12 H new ATOM 0 HZ2 LYS A 32 20.756 8.616 -30.826 1.00 60.12 H new ATOM 0 HZ3 LYS A 32 19.237 8.313 -31.520 1.00 60.12 H new ATOM 494 N LYS A 33 16.440 5.863 -25.404 1.00 32.04 N ATOM 495 CA LYS A 33 16.258 5.398 -24.034 1.00 50.53 C ATOM 496 C LYS A 33 17.309 5.985 -23.083 1.00 65.23 C ATOM 497 O LYS A 33 17.922 5.279 -22.292 1.00 62.35 O ATOM 498 CB LYS A 33 16.266 3.880 -24.013 1.00 40.40 C ATOM 499 CG LYS A 33 15.147 3.347 -24.847 1.00 60.43 C ATOM 500 CD LYS A 33 14.788 1.962 -24.502 1.00 44.14 C ATOM 501 CE LYS A 33 13.420 1.734 -25.020 1.00 55.45 C ATOM 502 NZ LYS A 33 12.878 0.430 -24.613 1.00 34.44 N ATOM 0 H LYS A 33 15.616 6.317 -25.798 1.00 32.04 H new ATOM 0 HA LYS A 33 15.293 5.751 -23.672 1.00 50.53 H new ATOM 0 HB2 LYS A 33 17.219 3.509 -24.390 1.00 40.40 H new ATOM 0 HB3 LYS A 33 16.168 3.523 -22.988 1.00 40.40 H new ATOM 0 HG2 LYS A 33 14.272 3.986 -24.724 1.00 60.43 H new ATOM 0 HG3 LYS A 33 15.430 3.393 -25.899 1.00 60.43 H new ATOM 0 HD2 LYS A 33 15.492 1.258 -24.946 1.00 44.14 H new ATOM 0 HD3 LYS A 33 14.823 1.811 -23.423 1.00 44.14 H new ATOM 0 HE2 LYS A 33 12.762 2.526 -24.662 1.00 55.45 H new ATOM 0 HE3 LYS A 33 13.431 1.796 -26.108 1.00 55.45 H new ATOM 0 HZ1 LYS A 33 11.919 0.317 -25.000 1.00 34.44 H new ATOM 0 HZ2 LYS A 33 13.490 -0.329 -24.976 1.00 34.44 H new ATOM 0 HZ3 LYS A 33 12.841 0.378 -23.575 1.00 34.44 H new ATOM 516 N GLN A 34 17.508 7.271 -23.238 1.00 43.52 N ATOM 517 CA GLN A 34 18.485 8.068 -22.493 1.00 65.02 C ATOM 518 C GLN A 34 17.726 9.185 -21.771 1.00 1.11 C ATOM 519 O GLN A 34 16.519 9.225 -21.813 1.00 10.12 O ATOM 520 CB GLN A 34 19.493 8.665 -23.475 1.00 52.20 C ATOM 521 CG GLN A 34 20.360 7.647 -24.192 1.00 51.43 C ATOM 522 CD GLN A 34 21.180 8.265 -25.306 1.00 2.53 C ATOM 523 OE1 GLN A 34 21.529 9.445 -25.266 1.00 72.50 O ATOM 524 NE2 GLN A 34 21.531 7.479 -26.287 1.00 64.12 N ATOM 0 H GLN A 34 16.978 7.825 -23.911 1.00 43.52 H new ATOM 0 HA GLN A 34 19.021 7.455 -21.769 1.00 65.02 H new ATOM 0 HB2 GLN A 34 18.952 9.250 -24.219 1.00 52.20 H new ATOM 0 HB3 GLN A 34 20.140 9.357 -22.935 1.00 52.20 H new ATOM 0 HG2 GLN A 34 21.028 7.173 -23.473 1.00 51.43 H new ATOM 0 HG3 GLN A 34 19.727 6.861 -24.604 1.00 51.43 H new ATOM 0 HE21 GLN A 34 21.227 6.505 -26.294 1.00 64.12 H new ATOM 0 HE22 GLN A 34 22.109 7.838 -27.047 1.00 64.12 H new ATOM 533 N CYS A 35 18.440 10.122 -21.189 1.00 75.11 N ATOM 534 CA CYS A 35 17.845 11.249 -20.477 1.00 64.40 C ATOM 535 C CYS A 35 18.661 12.387 -20.912 1.00 30.54 C ATOM 536 O CYS A 35 19.791 12.532 -20.444 1.00 34.44 O ATOM 537 CB CYS A 35 17.874 11.135 -18.939 1.00 4.20 C ATOM 538 SG CYS A 35 16.978 12.508 -18.085 1.00 1.31 S ATOM 0 H CYS A 35 19.460 10.130 -21.192 1.00 75.11 H new ATOM 0 HA CYS A 35 16.782 11.325 -20.707 1.00 64.40 H new ATOM 0 HB2 CYS A 35 17.432 10.183 -18.644 1.00 4.20 H new ATOM 0 HB3 CYS A 35 18.911 11.123 -18.602 1.00 4.20 H new ATOM 543 N VAL A 36 18.190 13.208 -21.767 1.00 71.22 N ATOM 544 CA VAL A 36 19.008 14.174 -22.395 1.00 55.34 C ATOM 545 C VAL A 36 18.318 15.493 -22.217 1.00 41.33 C ATOM 546 O VAL A 36 17.169 15.547 -21.832 1.00 35.30 O ATOM 547 CB VAL A 36 19.157 13.892 -23.911 1.00 44.13 C ATOM 548 CG1 VAL A 36 19.665 12.493 -24.168 1.00 33.54 C ATOM 549 CG2 VAL A 36 17.848 14.092 -24.640 1.00 0.51 C ATOM 0 H VAL A 36 17.212 13.231 -22.057 1.00 71.22 H new ATOM 0 HA VAL A 36 20.005 14.159 -21.956 1.00 55.34 H new ATOM 0 HB VAL A 36 19.887 14.606 -24.292 1.00 44.13 H new ATOM 0 HG11 VAL A 36 19.757 12.331 -25.242 1.00 33.54 H new ATOM 0 HG12 VAL A 36 20.640 12.368 -23.697 1.00 33.54 H new ATOM 0 HG13 VAL A 36 18.965 11.769 -23.751 1.00 33.54 H new ATOM 0 HG21 VAL A 36 17.987 13.886 -25.701 1.00 0.51 H new ATOM 0 HG22 VAL A 36 17.098 13.413 -24.234 1.00 0.51 H new ATOM 0 HG23 VAL A 36 17.513 15.121 -24.511 1.00 0.51 H new ATOM 559 N THR A 37 19.021 16.537 -22.482 1.00 61.03 N ATOM 560 CA THR A 37 18.487 17.852 -22.355 1.00 11.43 C ATOM 561 C THR A 37 17.718 18.330 -23.580 1.00 10.55 C ATOM 562 O THR A 37 17.968 17.885 -24.708 1.00 22.34 O ATOM 563 CB THR A 37 19.595 18.877 -21.965 1.00 33.54 C ATOM 564 OG1 THR A 37 20.704 18.814 -22.888 1.00 61.33 O ATOM 565 CG2 THR A 37 20.077 18.620 -20.559 1.00 63.11 C ATOM 0 H THR A 37 19.991 16.505 -22.796 1.00 61.03 H new ATOM 0 HA THR A 37 17.758 17.791 -21.547 1.00 11.43 H new ATOM 0 HB THR A 37 19.163 19.877 -22.014 1.00 33.54 H new ATOM 0 HG1 THR A 37 21.386 19.467 -22.625 1.00 61.33 H new ATOM 0 HG21 THR A 37 20.850 19.344 -20.301 1.00 63.11 H new ATOM 0 HG22 THR A 37 19.243 18.718 -19.865 1.00 63.11 H new ATOM 0 HG23 THR A 37 20.487 17.612 -20.493 1.00 63.11 H new ATOM 573 N PHE A 38 16.799 19.253 -23.342 1.00 51.11 N ATOM 574 CA PHE A 38 16.020 19.814 -24.377 1.00 72.52 C ATOM 575 C PHE A 38 15.825 21.239 -24.088 1.00 64.12 C ATOM 576 O PHE A 38 15.988 21.706 -22.933 1.00 0.10 O ATOM 577 CB PHE A 38 14.644 19.212 -24.537 1.00 21.03 C ATOM 578 CG PHE A 38 13.608 19.420 -23.480 1.00 53.11 C ATOM 579 CD1 PHE A 38 13.615 18.778 -22.268 1.00 62.12 C ATOM 580 CD2 PHE A 38 12.568 20.267 -23.779 1.00 22.12 C ATOM 581 CE1 PHE A 38 12.591 18.989 -21.373 1.00 70.24 C ATOM 582 CE2 PHE A 38 11.558 20.498 -22.913 1.00 42.44 C ATOM 583 CZ PHE A 38 11.560 19.856 -21.695 1.00 51.21 C ATOM 0 H PHE A 38 16.590 19.620 -22.413 1.00 51.11 H new ATOM 0 HA PHE A 38 16.570 19.618 -25.298 1.00 72.52 H new ATOM 0 HB2 PHE A 38 14.232 19.590 -25.473 1.00 21.03 H new ATOM 0 HB3 PHE A 38 14.773 18.136 -24.657 1.00 21.03 H new ATOM 0 HD1 PHE A 38 14.423 18.107 -22.016 1.00 62.12 H new ATOM 0 HD2 PHE A 38 12.558 20.764 -24.738 1.00 22.12 H new ATOM 0 HE1 PHE A 38 12.591 18.479 -20.421 1.00 70.24 H new ATOM 0 HE2 PHE A 38 10.759 21.177 -23.172 1.00 42.44 H new ATOM 0 HZ PHE A 38 10.759 20.028 -20.992 1.00 51.21 H new ATOM 593 N THR A 39 15.493 21.916 -25.101 1.00 51.20 N ATOM 594 CA THR A 39 15.198 23.290 -25.059 1.00 31.01 C ATOM 595 C THR A 39 13.783 23.446 -24.523 1.00 64.15 C ATOM 596 O THR A 39 12.805 23.095 -25.193 1.00 55.25 O ATOM 597 CB THR A 39 15.201 23.814 -26.477 1.00 12.33 C ATOM 598 OG1 THR A 39 16.461 23.481 -27.089 1.00 1.15 O ATOM 599 CG2 THR A 39 15.003 25.319 -26.502 1.00 72.34 C ATOM 0 H THR A 39 15.413 21.513 -26.034 1.00 51.20 H new ATOM 0 HA THR A 39 15.921 23.821 -24.440 1.00 31.01 H new ATOM 0 HB THR A 39 14.379 23.356 -27.027 1.00 12.33 H new ATOM 0 HG1 THR A 39 16.475 23.814 -28.011 1.00 1.15 H new ATOM 0 HG21 THR A 39 15.009 25.670 -27.534 1.00 72.34 H new ATOM 0 HG22 THR A 39 14.048 25.568 -26.040 1.00 72.34 H new ATOM 0 HG23 THR A 39 15.810 25.801 -25.950 1.00 72.34 H new ATOM 607 N TYR A 40 13.681 23.918 -23.328 1.00 24.10 N ATOM 608 CA TYR A 40 12.380 24.094 -22.777 1.00 22.20 C ATOM 609 C TYR A 40 12.041 25.533 -22.763 1.00 55.55 C ATOM 610 O TYR A 40 12.697 26.291 -22.079 1.00 3.24 O ATOM 611 CB TYR A 40 12.314 23.487 -21.377 1.00 32.45 C ATOM 612 CG TYR A 40 10.991 23.604 -20.582 1.00 52.42 C ATOM 613 CD1 TYR A 40 10.726 24.737 -19.816 1.00 71.43 C ATOM 614 CD2 TYR A 40 10.033 22.558 -20.554 1.00 2.14 C ATOM 615 CE1 TYR A 40 9.573 24.842 -19.063 1.00 65.12 C ATOM 616 CE2 TYR A 40 8.884 22.677 -19.808 1.00 1.30 C ATOM 617 CZ TYR A 40 8.657 23.814 -19.066 1.00 42.22 C ATOM 618 OH TYR A 40 7.503 23.913 -18.308 1.00 22.33 O ATOM 0 H TYR A 40 14.460 24.183 -22.726 1.00 24.10 H new ATOM 0 HA TYR A 40 11.646 23.576 -23.394 1.00 22.20 H new ATOM 0 HB2 TYR A 40 12.556 22.428 -21.463 1.00 32.45 H new ATOM 0 HB3 TYR A 40 13.101 23.946 -20.779 1.00 32.45 H new ATOM 0 HD1 TYR A 40 11.437 25.550 -19.811 1.00 71.43 H new ATOM 0 HD2 TYR A 40 10.208 21.658 -21.125 1.00 2.14 H new ATOM 0 HE1 TYR A 40 9.390 25.728 -18.473 1.00 65.12 H new ATOM 0 HE2 TYR A 40 8.158 21.877 -19.804 1.00 1.30 H new ATOM 0 HH TYR A 40 6.965 23.102 -18.424 1.00 22.33 H new ATOM 628 N ASN A 41 11.117 25.924 -23.599 1.00 74.22 N ATOM 629 CA ASN A 41 10.755 27.305 -23.706 1.00 61.00 C ATOM 630 C ASN A 41 9.602 27.577 -22.791 1.00 4.40 C ATOM 631 O ASN A 41 9.388 28.708 -22.362 1.00 52.45 O ATOM 632 CB ASN A 41 10.448 27.708 -25.148 1.00 44.45 C ATOM 633 CG ASN A 41 11.631 27.653 -26.089 1.00 71.34 C ATOM 634 OD1 ASN A 41 12.770 27.872 -25.694 1.00 22.44 O ATOM 635 ND2 ASN A 41 11.367 27.388 -27.340 1.00 13.41 N ATOM 0 H ASN A 41 10.601 25.299 -24.218 1.00 74.22 H new ATOM 0 HA ASN A 41 11.603 27.918 -23.402 1.00 61.00 H new ATOM 0 HB2 ASN A 41 9.665 27.055 -25.534 1.00 44.45 H new ATOM 0 HB3 ASN A 41 10.048 28.722 -25.149 1.00 44.45 H new ATOM 0 HD21 ASN A 41 12.122 27.358 -28.025 1.00 13.41 H new ATOM 0 HD22 ASN A 41 10.406 27.211 -27.632 1.00 13.41 H new ATOM 642 N GLY A 42 8.803 26.556 -22.540 1.00 52.35 N ATOM 643 CA GLY A 42 7.901 26.653 -21.453 1.00 73.12 C ATOM 644 C GLY A 42 6.441 26.855 -21.744 1.00 10.42 C ATOM 645 O GLY A 42 5.708 27.197 -20.810 1.00 53.11 O ATOM 0 H GLY A 42 8.773 25.683 -23.067 1.00 52.35 H new ATOM 0 HA2 GLY A 42 7.997 25.743 -20.861 1.00 73.12 H new ATOM 0 HA3 GLY A 42 8.230 27.479 -20.823 1.00 73.12 H new ATOM 649 N LYS A 43 5.925 26.662 -22.950 1.00 31.41 N ATOM 650 CA LYS A 43 4.535 26.900 -23.256 1.00 74.41 C ATOM 651 C LYS A 43 4.003 25.719 -24.066 1.00 30.12 C ATOM 652 O LYS A 43 4.089 24.565 -23.645 1.00 72.12 O ATOM 653 CB LYS A 43 4.417 28.194 -24.134 1.00 15.41 C ATOM 654 CG LYS A 43 5.070 29.439 -23.591 1.00 52.03 C ATOM 655 CD LYS A 43 4.692 30.669 -24.407 1.00 20.40 C ATOM 656 CE LYS A 43 3.214 30.995 -24.299 1.00 25.54 C ATOM 657 NZ LYS A 43 2.850 32.196 -25.075 1.00 4.24 N ATOM 0 H LYS A 43 6.471 26.333 -23.746 1.00 31.41 H new ATOM 0 HA LYS A 43 3.968 27.019 -22.333 1.00 74.41 H new ATOM 0 HB2 LYS A 43 4.848 27.982 -25.113 1.00 15.41 H new ATOM 0 HB3 LYS A 43 3.359 28.405 -24.290 1.00 15.41 H new ATOM 0 HG2 LYS A 43 4.772 29.584 -22.553 1.00 52.03 H new ATOM 0 HG3 LYS A 43 6.153 29.316 -23.597 1.00 52.03 H new ATOM 0 HD2 LYS A 43 5.277 31.523 -24.066 1.00 20.40 H new ATOM 0 HD3 LYS A 43 4.950 30.503 -25.453 1.00 20.40 H new ATOM 0 HE2 LYS A 43 2.630 30.145 -24.652 1.00 25.54 H new ATOM 0 HE3 LYS A 43 2.953 31.148 -23.252 1.00 25.54 H new ATOM 0 HZ1 LYS A 43 1.832 32.381 -24.972 1.00 4.24 H new ATOM 0 HZ2 LYS A 43 3.387 33.013 -24.722 1.00 4.24 H new ATOM 0 HZ3 LYS A 43 3.074 32.042 -26.079 1.00 4.24 H new ATOM 671 N GLY A 44 3.424 26.118 -25.176 1.00 42.50 N ATOM 672 CA GLY A 44 2.954 25.251 -26.246 1.00 13.33 C ATOM 673 C GLY A 44 3.309 23.787 -26.228 1.00 11.32 C ATOM 674 O GLY A 44 4.470 23.393 -26.394 1.00 4.30 O ATOM 0 H GLY A 44 3.257 27.105 -25.372 1.00 42.50 H new ATOM 0 HA2 GLY A 44 1.867 25.323 -26.270 1.00 13.33 H new ATOM 0 HA3 GLY A 44 3.321 25.664 -27.185 1.00 13.33 H new ATOM 678 N GLY A 45 2.278 23.002 -26.053 1.00 72.11 N ATOM 679 CA GLY A 45 2.396 21.598 -26.204 1.00 14.12 C ATOM 680 C GLY A 45 2.860 20.868 -24.975 1.00 43.35 C ATOM 681 O GLY A 45 2.608 21.273 -23.832 1.00 35.04 O ATOM 0 H GLY A 45 1.344 23.327 -25.804 1.00 72.11 H new ATOM 0 HA2 GLY A 45 1.428 21.197 -26.504 1.00 14.12 H new ATOM 0 HA3 GLY A 45 3.092 21.392 -27.017 1.00 14.12 H new ATOM 685 N ASN A 46 3.507 19.748 -25.260 1.00 34.32 N ATOM 686 CA ASN A 46 4.007 18.941 -24.151 1.00 45.53 C ATOM 687 C ASN A 46 5.108 19.476 -23.285 1.00 71.34 C ATOM 688 O ASN A 46 6.043 20.151 -23.679 1.00 12.11 O ATOM 689 CB ASN A 46 4.294 17.476 -24.525 1.00 1.10 C ATOM 690 CG ASN A 46 3.055 16.680 -24.877 1.00 44.20 C ATOM 691 OD1 ASN A 46 2.651 16.588 -26.033 1.00 54.51 O ATOM 692 ND2 ASN A 46 2.441 16.100 -23.885 1.00 51.22 N ATOM 0 H ASN A 46 3.693 19.388 -26.196 1.00 34.32 H new ATOM 0 HA ASN A 46 3.130 19.005 -23.506 1.00 45.53 H new ATOM 0 HB2 ASN A 46 4.980 17.455 -25.371 1.00 1.10 H new ATOM 0 HB3 ASN A 46 4.801 16.991 -23.691 1.00 1.10 H new ATOM 0 HD21 ASN A 46 1.599 15.550 -24.058 1.00 51.22 H new ATOM 0 HD22 ASN A 46 2.802 16.196 -22.936 1.00 51.22 H new ATOM 699 N GLY A 47 4.926 19.050 -22.074 1.00 43.15 N ATOM 700 CA GLY A 47 5.814 19.420 -21.033 1.00 11.33 C ATOM 701 C GLY A 47 6.557 18.274 -20.485 1.00 14.33 C ATOM 702 O GLY A 47 6.655 18.125 -19.262 1.00 73.10 O ATOM 0 H GLY A 47 4.161 18.440 -21.787 1.00 43.15 H new ATOM 0 HA2 GLY A 47 6.521 20.159 -21.410 1.00 11.33 H new ATOM 0 HA3 GLY A 47 5.249 19.898 -20.232 1.00 11.33 H new ATOM 706 N ASN A 48 6.995 17.390 -21.354 1.00 2.14 N ATOM 707 CA ASN A 48 7.863 16.326 -20.907 1.00 31.22 C ATOM 708 C ASN A 48 9.184 16.935 -20.557 1.00 61.14 C ATOM 709 O ASN A 48 9.997 17.219 -21.422 1.00 24.25 O ATOM 710 CB ASN A 48 8.065 15.216 -21.929 1.00 43.13 C ATOM 711 CG ASN A 48 8.923 14.118 -21.320 1.00 42.34 C ATOM 712 OD1 ASN A 48 8.900 13.914 -20.116 1.00 2.02 O ATOM 713 ND2 ASN A 48 9.669 13.414 -22.116 1.00 5.32 N ATOM 0 H ASN A 48 6.771 17.385 -22.349 1.00 2.14 H new ATOM 0 HA ASN A 48 7.387 15.850 -20.050 1.00 31.22 H new ATOM 0 HB2 ASN A 48 7.101 14.811 -22.237 1.00 43.13 H new ATOM 0 HB3 ASN A 48 8.545 15.613 -22.824 1.00 43.13 H new ATOM 0 HD21 ASN A 48 10.255 12.669 -21.740 1.00 5.32 H new ATOM 0 HD22 ASN A 48 9.669 13.606 -23.118 1.00 5.32 H new ATOM 720 N ASN A 49 9.363 17.150 -19.307 1.00 30.22 N ATOM 721 CA ASN A 49 10.441 17.826 -18.701 1.00 64.22 C ATOM 722 C ASN A 49 10.740 17.154 -17.393 1.00 41.20 C ATOM 723 O ASN A 49 9.850 17.018 -16.561 1.00 1.15 O ATOM 724 CB ASN A 49 9.964 19.258 -18.408 1.00 12.14 C ATOM 725 CG ASN A 49 10.927 20.085 -17.585 1.00 13.04 C ATOM 726 OD1 ASN A 49 12.125 19.888 -17.610 1.00 1.24 O ATOM 727 ND2 ASN A 49 10.388 21.020 -16.829 1.00 14.52 N ATOM 0 H ASN A 49 8.688 16.822 -18.616 1.00 30.22 H new ATOM 0 HA ASN A 49 11.325 17.822 -19.339 1.00 64.22 H new ATOM 0 HB2 ASN A 49 9.784 19.768 -19.354 1.00 12.14 H new ATOM 0 HB3 ASN A 49 9.009 19.209 -17.886 1.00 12.14 H new ATOM 0 HD21 ASN A 49 10.981 21.605 -16.241 1.00 14.52 H new ATOM 0 HD22 ASN A 49 9.377 21.159 -16.832 1.00 14.52 H new ATOM 734 N PHE A 50 11.934 16.706 -17.202 1.00 74.55 N ATOM 735 CA PHE A 50 12.337 16.224 -15.925 1.00 20.15 C ATOM 736 C PHE A 50 13.281 17.264 -15.393 1.00 74.24 C ATOM 737 O PHE A 50 14.430 17.379 -15.805 1.00 14.24 O ATOM 738 CB PHE A 50 12.925 14.771 -15.979 1.00 73.13 C ATOM 739 CG PHE A 50 11.956 13.823 -16.631 1.00 74.03 C ATOM 740 CD1 PHE A 50 10.750 13.520 -16.019 1.00 2.35 C ATOM 741 CD2 PHE A 50 12.235 13.266 -17.866 1.00 42.14 C ATOM 742 CE1 PHE A 50 9.843 12.682 -16.630 1.00 64.31 C ATOM 743 CE2 PHE A 50 11.337 12.422 -18.479 1.00 73.45 C ATOM 744 CZ PHE A 50 10.137 12.132 -17.863 1.00 61.44 C ATOM 0 H PHE A 50 12.655 16.663 -17.922 1.00 74.55 H new ATOM 0 HA PHE A 50 11.492 16.101 -15.248 1.00 20.15 H new ATOM 0 HB2 PHE A 50 13.864 14.775 -16.532 1.00 73.13 H new ATOM 0 HB3 PHE A 50 13.151 14.428 -14.969 1.00 73.13 H new ATOM 0 HD1 PHE A 50 10.519 13.945 -15.053 1.00 2.35 H new ATOM 0 HD2 PHE A 50 13.170 13.496 -18.356 1.00 42.14 H new ATOM 0 HE1 PHE A 50 8.904 12.456 -16.146 1.00 64.31 H new ATOM 0 HE2 PHE A 50 11.571 11.988 -19.440 1.00 73.45 H new ATOM 0 HZ PHE A 50 9.428 11.475 -18.344 1.00 61.44 H new ATOM 754 N SER A 51 12.736 18.050 -14.497 1.00 31.21 N ATOM 755 CA SER A 51 13.369 19.299 -14.106 1.00 35.43 C ATOM 756 C SER A 51 14.409 19.033 -13.028 1.00 54.45 C ATOM 757 O SER A 51 15.114 19.948 -12.594 1.00 43.23 O ATOM 758 CB SER A 51 12.286 20.277 -13.621 1.00 13.14 C ATOM 759 OG SER A 51 11.498 19.709 -12.579 1.00 3.53 O ATOM 0 H SER A 51 11.856 17.853 -14.021 1.00 31.21 H new ATOM 0 HA SER A 51 13.883 19.747 -14.956 1.00 35.43 H new ATOM 0 HB2 SER A 51 12.756 21.194 -13.265 1.00 13.14 H new ATOM 0 HB3 SER A 51 11.642 20.552 -14.457 1.00 13.14 H new ATOM 0 HG SER A 51 10.820 20.356 -12.292 1.00 3.53 H new ATOM 765 N ARG A 52 14.507 17.815 -12.605 1.00 44.12 N ATOM 766 CA ARG A 52 15.507 17.424 -11.672 1.00 12.12 C ATOM 767 C ARG A 52 16.163 16.202 -12.245 1.00 35.42 C ATOM 768 O ARG A 52 15.491 15.250 -12.659 1.00 33.45 O ATOM 769 CB ARG A 52 14.883 17.095 -10.335 1.00 2.12 C ATOM 770 CG ARG A 52 14.109 18.226 -9.698 1.00 22.11 C ATOM 771 CD ARG A 52 13.505 17.772 -8.402 1.00 53.14 C ATOM 772 NE ARG A 52 12.726 18.808 -7.740 1.00 4.21 N ATOM 773 CZ ARG A 52 12.662 18.954 -6.417 1.00 23.40 C ATOM 774 NH1 ARG A 52 13.388 18.151 -5.626 1.00 71.52 N ATOM 775 NH2 ARG A 52 11.863 19.873 -5.891 1.00 34.22 N ATOM 0 H ARG A 52 13.889 17.059 -12.901 1.00 44.12 H new ATOM 0 HA ARG A 52 16.226 18.227 -11.509 1.00 12.12 H new ATOM 0 HB2 ARG A 52 14.215 16.243 -10.462 1.00 2.12 H new ATOM 0 HB3 ARG A 52 15.671 16.782 -9.650 1.00 2.12 H new ATOM 0 HG2 ARG A 52 14.769 19.075 -9.523 1.00 22.11 H new ATOM 0 HG3 ARG A 52 13.325 18.566 -10.374 1.00 22.11 H new ATOM 0 HD2 ARG A 52 12.866 16.909 -8.589 1.00 53.14 H new ATOM 0 HD3 ARG A 52 14.300 17.441 -7.734 1.00 53.14 H new ATOM 0 HE ARG A 52 12.199 19.459 -8.322 1.00 4.21 H new ATOM 0 HH11 ARG A 52 13.985 17.434 -6.038 1.00 71.52 H new ATOM 0 HH12 ARG A 52 13.344 18.258 -4.613 1.00 71.52 H new ATOM 0 HH21 ARG A 52 11.299 20.467 -6.499 1.00 34.22 H new ATOM 0 HH22 ARG A 52 11.813 19.986 -4.879 1.00 34.22 H new ATOM 789 N THR A 53 17.477 16.255 -12.303 1.00 2.42 N ATOM 790 CA THR A 53 18.298 15.208 -12.872 1.00 31.15 C ATOM 791 C THR A 53 18.063 13.856 -12.175 1.00 45.32 C ATOM 792 O THR A 53 17.991 12.836 -12.834 1.00 33.50 O ATOM 793 CB THR A 53 19.801 15.593 -12.830 1.00 22.24 C ATOM 794 OG1 THR A 53 19.998 16.870 -13.482 1.00 12.33 O ATOM 795 CG2 THR A 53 20.658 14.544 -13.537 1.00 34.14 C ATOM 0 H THR A 53 18.016 17.045 -11.948 1.00 2.42 H new ATOM 0 HA THR A 53 18.001 15.097 -13.915 1.00 31.15 H new ATOM 0 HB THR A 53 20.103 15.651 -11.784 1.00 22.24 H new ATOM 0 HG1 THR A 53 20.948 17.110 -13.452 1.00 12.33 H new ATOM 0 HG21 THR A 53 21.706 14.840 -13.492 1.00 34.14 H new ATOM 0 HG22 THR A 53 20.532 13.579 -13.045 1.00 34.14 H new ATOM 0 HG23 THR A 53 20.348 14.463 -14.579 1.00 34.14 H new ATOM 803 N ASN A 54 17.880 13.864 -10.847 1.00 61.13 N ATOM 804 CA ASN A 54 17.617 12.610 -10.097 1.00 21.30 C ATOM 805 C ASN A 54 16.181 12.169 -10.304 1.00 30.12 C ATOM 806 O ASN A 54 15.819 11.004 -10.093 1.00 21.01 O ATOM 807 CB ASN A 54 17.898 12.760 -8.603 1.00 23.02 C ATOM 808 CG ASN A 54 19.352 13.007 -8.274 1.00 11.24 C ATOM 809 OD1 ASN A 54 20.264 12.545 -8.971 1.00 13.33 O ATOM 810 ND2 ASN A 54 19.584 13.760 -7.235 1.00 54.22 N ATOM 0 H ASN A 54 17.907 14.705 -10.271 1.00 61.13 H new ATOM 0 HA ASN A 54 18.297 11.853 -10.487 1.00 21.30 H new ATOM 0 HB2 ASN A 54 17.302 13.585 -8.213 1.00 23.02 H new ATOM 0 HB3 ASN A 54 17.568 11.857 -8.089 1.00 23.02 H new ATOM 0 HD21 ASN A 54 20.544 13.986 -6.973 1.00 54.22 H new ATOM 0 HD22 ASN A 54 18.806 14.123 -6.684 1.00 54.22 H new ATOM 817 N ASP A 55 15.408 13.090 -10.806 1.00 61.13 N ATOM 818 CA ASP A 55 14.020 12.791 -11.036 1.00 61.14 C ATOM 819 C ASP A 55 13.796 12.086 -12.330 1.00 2.40 C ATOM 820 O ASP A 55 12.877 11.272 -12.423 1.00 2.32 O ATOM 821 CB ASP A 55 13.046 13.967 -10.803 1.00 52.34 C ATOM 822 CG ASP A 55 12.949 14.393 -9.339 1.00 21.24 C ATOM 823 OD1 ASP A 55 13.986 14.617 -8.686 1.00 70.31 O ATOM 824 OD2 ASP A 55 11.811 14.472 -8.798 1.00 61.31 O ATOM 0 H ASP A 55 15.704 14.033 -11.059 1.00 61.13 H new ATOM 0 HA ASP A 55 13.759 12.087 -10.246 1.00 61.14 H new ATOM 0 HB2 ASP A 55 13.368 14.819 -11.401 1.00 52.34 H new ATOM 0 HB3 ASP A 55 12.055 13.684 -11.158 1.00 52.34 H new ATOM 829 N CYS A 56 14.620 12.347 -13.363 1.00 44.00 N ATOM 830 CA CYS A 56 14.481 11.528 -14.535 1.00 52.13 C ATOM 831 C CYS A 56 14.989 10.175 -14.251 1.00 54.20 C ATOM 832 O CYS A 56 14.524 9.256 -14.787 1.00 53.24 O ATOM 833 CB CYS A 56 15.109 12.037 -15.833 1.00 54.25 C ATOM 834 SG CYS A 56 16.898 12.215 -16.041 1.00 52.15 S ATOM 0 H CYS A 56 15.336 13.072 -13.395 1.00 44.00 H new ATOM 0 HA CYS A 56 13.410 11.548 -14.736 1.00 52.13 H new ATOM 0 HB2 CYS A 56 14.767 11.373 -16.627 1.00 54.25 H new ATOM 0 HB3 CYS A 56 14.673 13.017 -16.027 1.00 54.25 H new ATOM 839 N ARG A 57 15.970 10.087 -13.411 1.00 4.42 N ATOM 840 CA ARG A 57 16.509 8.784 -12.982 1.00 61.32 C ATOM 841 C ARG A 57 15.384 7.890 -12.477 1.00 13.20 C ATOM 842 O ARG A 57 15.295 6.721 -12.854 1.00 41.04 O ATOM 843 CB ARG A 57 17.524 8.990 -11.880 1.00 54.53 C ATOM 844 CG ARG A 57 18.572 9.976 -12.268 1.00 41.43 C ATOM 845 CD ARG A 57 19.827 9.827 -11.430 1.00 22.25 C ATOM 846 NE ARG A 57 20.577 8.605 -11.748 1.00 55.45 N ATOM 847 CZ ARG A 57 21.303 7.894 -10.866 1.00 12.55 C ATOM 848 NH1 ARG A 57 21.251 8.189 -9.560 1.00 2.12 N ATOM 849 NH2 ARG A 57 22.061 6.885 -11.293 1.00 3.33 N ATOM 0 H ARG A 57 16.434 10.893 -12.992 1.00 4.42 H new ATOM 0 HA ARG A 57 16.989 8.304 -13.835 1.00 61.32 H new ATOM 0 HB2 ARG A 57 17.017 9.335 -10.979 1.00 54.53 H new ATOM 0 HB3 ARG A 57 17.994 8.037 -11.636 1.00 54.53 H new ATOM 0 HG2 ARG A 57 18.821 9.845 -13.321 1.00 41.43 H new ATOM 0 HG3 ARG A 57 18.179 10.986 -12.156 1.00 41.43 H new ATOM 0 HD2 ARG A 57 20.469 10.694 -11.587 1.00 22.25 H new ATOM 0 HD3 ARG A 57 19.556 9.818 -10.374 1.00 22.25 H new ATOM 0 HE ARG A 57 20.545 8.270 -12.711 1.00 55.45 H new ATOM 0 HH11 ARG A 57 20.660 8.954 -9.233 1.00 2.12 H new ATOM 0 HH12 ARG A 57 21.802 7.649 -8.893 1.00 2.12 H new ATOM 0 HH21 ARG A 57 22.090 6.653 -12.286 1.00 3.33 H new ATOM 0 HH22 ARG A 57 22.613 6.344 -10.627 1.00 3.33 H new ATOM 863 N GLN A 58 14.544 8.470 -11.619 1.00 70.55 N ATOM 864 CA GLN A 58 13.355 7.792 -11.057 1.00 45.42 C ATOM 865 C GLN A 58 12.532 7.196 -12.130 1.00 42.53 C ATOM 866 O GLN A 58 12.293 5.989 -12.175 1.00 62.12 O ATOM 867 CB GLN A 58 12.468 8.754 -10.305 1.00 1.11 C ATOM 868 CG GLN A 58 13.128 9.535 -9.164 1.00 54.42 C ATOM 869 CD GLN A 58 13.834 8.647 -8.155 1.00 70.53 C ATOM 870 OE1 GLN A 58 13.225 8.150 -7.207 1.00 1.41 O ATOM 871 NE2 GLN A 58 15.122 8.513 -8.296 1.00 52.32 N ATOM 0 H GLN A 58 14.662 9.427 -11.287 1.00 70.55 H new ATOM 0 HA GLN A 58 13.733 7.024 -10.383 1.00 45.42 H new ATOM 0 HB2 GLN A 58 12.058 9.470 -11.017 1.00 1.11 H new ATOM 0 HB3 GLN A 58 11.627 8.195 -9.895 1.00 1.11 H new ATOM 0 HG2 GLN A 58 13.847 10.239 -9.584 1.00 54.42 H new ATOM 0 HG3 GLN A 58 12.369 10.124 -8.650 1.00 54.42 H new ATOM 0 HE21 GLN A 58 15.595 8.938 -9.094 1.00 52.32 H new ATOM 0 HE22 GLN A 58 15.658 7.983 -7.609 1.00 52.32 H new ATOM 880 N THR A 59 12.058 8.077 -12.903 1.00 44.21 N ATOM 881 CA THR A 59 11.391 7.887 -14.073 1.00 5.30 C ATOM 882 C THR A 59 12.110 6.834 -14.929 1.00 22.45 C ATOM 883 O THR A 59 11.775 5.650 -14.896 1.00 74.00 O ATOM 884 CB THR A 59 11.519 9.330 -14.642 1.00 14.42 C ATOM 885 OG1 THR A 59 10.793 10.267 -13.846 1.00 34.04 O ATOM 886 CG2 THR A 59 11.277 9.527 -16.071 1.00 21.33 C ATOM 0 H THR A 59 12.152 9.069 -12.683 1.00 44.21 H new ATOM 0 HA THR A 59 10.369 7.513 -14.011 1.00 5.30 H new ATOM 0 HB THR A 59 12.589 9.523 -14.566 1.00 14.42 H new ATOM 0 HG1 THR A 59 11.417 10.771 -13.283 1.00 34.04 H new ATOM 0 HG21 THR A 59 11.403 10.581 -16.319 1.00 21.33 H new ATOM 0 HG22 THR A 59 11.987 8.932 -16.646 1.00 21.33 H new ATOM 0 HG23 THR A 59 10.261 9.215 -16.314 1.00 21.33 H new ATOM 894 N CYS A 60 13.117 7.251 -15.537 1.00 33.00 N ATOM 895 CA CYS A 60 13.759 6.559 -16.631 1.00 12.23 C ATOM 896 C CYS A 60 14.855 7.417 -17.152 1.00 54.30 C ATOM 897 O CYS A 60 14.580 8.527 -17.621 1.00 44.24 O ATOM 898 CB CYS A 60 12.818 6.404 -17.874 1.00 24.43 C ATOM 899 SG CYS A 60 11.204 5.576 -17.722 1.00 31.22 S ATOM 0 H CYS A 60 13.572 8.133 -15.301 1.00 33.00 H new ATOM 0 HA CYS A 60 14.070 5.590 -16.240 1.00 12.23 H new ATOM 0 HB2 CYS A 60 12.629 7.406 -18.260 1.00 24.43 H new ATOM 0 HB3 CYS A 60 13.382 5.869 -18.638 1.00 24.43 H new