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 Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.913 X(o=-0.91,f=-1.1!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.502 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= -0.17 (180deg=-0.346) USER MOD Single : A 24 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.7) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= -0.438 USER MOD Single : A 29 ASN : amide:sc= -5.11! C(o=-5.1!,f=-13!) USER MOD Single : A 30 SER OG : rot -80:sc= 1.3 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 34 GLN : amide:sc= -0.669 K(o=-0.67,f=-5!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00275 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= -0.721 K(o=-0.72,f=-2) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0471 K(o=-0.047,f=-1.8!) USER MOD Single : A 48 ASN : amide:sc= 0.777 K(o=0.78,f=-0.49) USER MOD Single : A 49 ASN : amide:sc= -2.08! C(o=-2.1!,f=-7.1!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.012 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0264 K(o=-0.026,f=-1.2) USER MOD Single : A 58 GLN : amide:sc= 0.545 K(o=0.55,f=-0.36) USER MOD Single : A 59 THR OG1 : rot 101:sc= 0.665 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 9 4.893 9.667 -19.359 1.00 24.15 N ATOM 135 CA TYR A 9 5.719 10.845 -19.233 1.00 15.42 C ATOM 136 C TYR A 9 7.119 10.594 -19.598 1.00 75.05 C ATOM 137 O TYR A 9 7.658 11.354 -20.353 1.00 34.33 O ATOM 138 CB TYR A 9 5.637 11.457 -17.837 1.00 20.43 C ATOM 139 CG TYR A 9 4.291 12.010 -17.538 1.00 30.12 C ATOM 140 CD1 TYR A 9 3.473 12.382 -18.575 1.00 15.22 C ATOM 141 CD2 TYR A 9 3.834 12.165 -16.243 1.00 13.44 C ATOM 142 CE1 TYR A 9 2.223 12.901 -18.346 1.00 64.42 C ATOM 143 CE2 TYR A 9 2.583 12.686 -15.994 1.00 11.31 C ATOM 144 CZ TYR A 9 1.782 13.054 -17.049 1.00 21.24 C ATOM 145 OH TYR A 9 0.527 13.582 -16.810 1.00 51.44 O ATOM 0 HA TYR A 9 5.316 11.565 -19.945 1.00 15.42 H new ATOM 0 HB2 TYR A 9 5.888 10.698 -17.096 1.00 20.43 H new ATOM 0 HB3 TYR A 9 6.380 12.249 -17.746 1.00 20.43 H new ATOM 0 HD1 TYR A 9 3.819 12.264 -19.591 1.00 15.22 H new ATOM 0 HD2 TYR A 9 4.465 11.874 -15.416 1.00 13.44 H new ATOM 0 HE1 TYR A 9 1.591 13.187 -19.174 1.00 64.42 H new ATOM 0 HE2 TYR A 9 2.235 12.804 -14.979 1.00 11.31 H new ATOM 0 HH TYR A 9 0.368 13.623 -15.844 1.00 51.44 H new ATOM 155 N CYS A 10 7.739 9.521 -19.094 1.00 2.05 N ATOM 156 CA CYS A 10 9.086 9.182 -19.412 1.00 53.34 C ATOM 157 C CYS A 10 9.245 9.146 -20.932 1.00 52.24 C ATOM 158 O CYS A 10 10.071 9.829 -21.474 1.00 0.32 O ATOM 159 CB CYS A 10 9.357 7.756 -18.923 1.00 54.41 C ATOM 160 SG CYS A 10 9.063 7.467 -17.148 1.00 32.30 S ATOM 0 H CYS A 10 7.293 8.870 -18.448 1.00 2.05 H new ATOM 0 HA CYS A 10 9.759 9.908 -18.955 1.00 53.34 H new ATOM 0 HB2 CYS A 10 8.731 7.070 -19.494 1.00 54.41 H new ATOM 0 HB3 CYS A 10 10.393 7.504 -19.148 1.00 54.41 H new ATOM 165 N ASN A 11 8.329 8.515 -21.612 1.00 13.14 N ATOM 166 CA ASN A 11 8.523 8.231 -23.064 1.00 13.42 C ATOM 167 C ASN A 11 8.009 9.391 -23.926 1.00 42.12 C ATOM 168 O ASN A 11 8.067 9.318 -25.158 1.00 3.21 O ATOM 169 CB ASN A 11 7.817 6.978 -23.533 1.00 74.11 C ATOM 170 CG ASN A 11 8.119 5.693 -22.756 1.00 2.22 C ATOM 171 OD1 ASN A 11 9.211 5.482 -22.264 1.00 22.33 O ATOM 172 ND2 ASN A 11 7.128 4.841 -22.621 1.00 22.12 N ATOM 0 H ASN A 11 7.447 8.181 -21.223 1.00 13.14 H new ATOM 0 HA ASN A 11 9.598 8.095 -23.181 1.00 13.42 H new ATOM 0 HB2 ASN A 11 6.742 7.156 -23.493 1.00 74.11 H new ATOM 0 HB3 ASN A 11 8.074 6.813 -24.579 1.00 74.11 H new ATOM 0 HD21 ASN A 11 7.265 3.979 -22.094 1.00 22.12 H new ATOM 0 HD22 ASN A 11 6.222 5.042 -23.044 1.00 22.12 H new ATOM 179 N LEU A 12 7.535 10.451 -23.303 1.00 24.30 N ATOM 180 CA LEU A 12 6.892 11.554 -24.023 1.00 35.51 C ATOM 181 C LEU A 12 7.891 12.561 -24.628 1.00 52.31 C ATOM 182 O LEU A 12 8.997 12.755 -24.127 1.00 15.23 O ATOM 183 CB LEU A 12 5.859 12.284 -23.146 1.00 4.30 C ATOM 184 CG LEU A 12 4.618 11.496 -22.742 1.00 5.31 C ATOM 185 CD1 LEU A 12 3.652 12.395 -21.998 1.00 24.03 C ATOM 186 CD2 LEU A 12 3.944 10.901 -23.964 1.00 41.45 C ATOM 0 H LEU A 12 7.579 10.581 -22.292 1.00 24.30 H new ATOM 0 HA LEU A 12 6.373 11.085 -24.859 1.00 35.51 H new ATOM 0 HB2 LEU A 12 6.360 12.617 -22.237 1.00 4.30 H new ATOM 0 HB3 LEU A 12 5.535 13.179 -23.677 1.00 4.30 H new ATOM 0 HG LEU A 12 4.922 10.681 -22.085 1.00 5.31 H new ATOM 0 HD11 LEU A 12 2.769 11.823 -21.713 1.00 24.03 H new ATOM 0 HD12 LEU A 12 4.135 12.786 -21.103 1.00 24.03 H new ATOM 0 HD13 LEU A 12 3.356 13.223 -22.642 1.00 24.03 H new ATOM 0 HD21 LEU A 12 3.060 10.342 -23.656 1.00 41.45 H new ATOM 0 HD22 LEU A 12 3.649 11.701 -24.643 1.00 41.45 H new ATOM 0 HD23 LEU A 12 4.638 10.231 -24.472 1.00 41.45 H new ATOM 198 N PRO A 13 7.496 13.177 -25.756 1.00 71.24 N ATOM 199 CA PRO A 13 8.291 14.182 -26.475 1.00 51.23 C ATOM 200 C PRO A 13 8.562 15.517 -25.721 1.00 21.15 C ATOM 201 O PRO A 13 7.834 15.943 -24.820 1.00 13.30 O ATOM 202 CB PRO A 13 7.467 14.462 -27.736 1.00 21.44 C ATOM 203 CG PRO A 13 6.572 13.298 -27.871 1.00 64.42 C ATOM 204 CD PRO A 13 6.250 12.876 -26.481 1.00 61.20 C ATOM 0 HA PRO A 13 9.293 13.787 -26.642 1.00 51.23 H new ATOM 0 HB2 PRO A 13 6.899 15.388 -27.640 1.00 21.44 H new ATOM 0 HB3 PRO A 13 8.108 14.571 -28.611 1.00 21.44 H new ATOM 0 HG2 PRO A 13 5.668 13.561 -28.420 1.00 64.42 H new ATOM 0 HG3 PRO A 13 7.057 12.493 -28.422 1.00 64.42 H new ATOM 0 HD2 PRO A 13 5.402 13.428 -26.076 1.00 61.20 H new ATOM 0 HD3 PRO A 13 5.996 11.817 -26.428 1.00 61.20 H new ATOM 212 N ALA A 14 9.720 16.077 -26.115 1.00 25.15 N ATOM 213 CA ALA A 14 10.071 17.359 -25.569 1.00 74.43 C ATOM 214 C ALA A 14 9.153 18.392 -26.335 1.00 71.33 C ATOM 215 O ALA A 14 9.098 18.322 -27.569 1.00 62.44 O ATOM 216 CB ALA A 14 11.481 17.615 -25.910 1.00 25.42 C ATOM 0 H ALA A 14 10.384 15.673 -26.775 1.00 25.15 H new ATOM 0 HA ALA A 14 9.941 17.423 -24.489 1.00 74.43 H new ATOM 0 HB1 ALA A 14 11.782 18.583 -25.510 1.00 25.42 H new ATOM 0 HB2 ALA A 14 12.107 16.834 -25.479 1.00 25.42 H new ATOM 0 HB3 ALA A 14 11.599 17.618 -26.994 1.00 25.42 H new ATOM 222 N ASP A 15 8.442 19.310 -25.662 1.00 15.53 N ATOM 223 CA ASP A 15 7.684 20.362 -26.373 1.00 32.15 C ATOM 224 C ASP A 15 7.939 21.730 -25.764 1.00 64.11 C ATOM 225 O ASP A 15 7.715 21.962 -24.584 1.00 53.01 O ATOM 226 CB ASP A 15 6.167 20.098 -26.562 1.00 43.23 C ATOM 227 CG ASP A 15 5.855 18.929 -27.462 1.00 23.23 C ATOM 228 OD1 ASP A 15 5.811 17.774 -27.002 1.00 40.13 O ATOM 229 OD2 ASP A 15 5.627 19.160 -28.675 1.00 51.11 O ATOM 0 H ASP A 15 8.373 19.350 -24.645 1.00 15.53 H new ATOM 0 HA ASP A 15 8.081 20.337 -27.388 1.00 32.15 H new ATOM 0 HB2 ASP A 15 5.715 19.923 -25.586 1.00 43.23 H new ATOM 0 HB3 ASP A 15 5.701 20.994 -26.973 1.00 43.23 H new ATOM 234 N SER A 16 8.525 22.597 -26.546 1.00 31.15 N ATOM 235 CA SER A 16 9.014 23.844 -26.039 1.00 61.50 C ATOM 236 C SER A 16 7.944 24.976 -25.889 1.00 12.30 C ATOM 237 O SER A 16 7.959 25.713 -24.901 1.00 54.02 O ATOM 238 CB SER A 16 10.215 24.313 -26.827 1.00 44.43 C ATOM 239 OG SER A 16 9.916 24.493 -28.213 1.00 53.34 O ATOM 0 H SER A 16 8.675 22.457 -27.545 1.00 31.15 H new ATOM 0 HA SER A 16 9.317 23.630 -25.014 1.00 61.50 H new ATOM 0 HB2 SER A 16 10.576 25.253 -26.410 1.00 44.43 H new ATOM 0 HB3 SER A 16 11.022 23.587 -26.723 1.00 44.43 H new ATOM 0 HG SER A 16 10.719 24.798 -28.684 1.00 53.34 H new ATOM 245 N GLY A 17 6.974 25.036 -26.790 1.00 43.20 N ATOM 246 CA GLY A 17 6.028 26.167 -26.787 1.00 13.20 C ATOM 247 C GLY A 17 6.662 27.392 -27.474 1.00 10.23 C ATOM 248 O GLY A 17 7.750 27.334 -28.039 1.00 74.22 O ATOM 0 H GLY A 17 6.814 24.340 -27.519 1.00 43.20 H new ATOM 0 HA2 GLY A 17 5.111 25.885 -27.304 1.00 13.20 H new ATOM 0 HA3 GLY A 17 5.752 26.417 -25.763 1.00 13.20 H new ATOM 252 N SER A 18 5.923 28.506 -27.355 1.00 13.20 N ATOM 253 CA SER A 18 6.327 29.709 -28.156 1.00 0.15 C ATOM 254 C SER A 18 7.235 30.610 -27.320 1.00 31.11 C ATOM 255 O SER A 18 7.668 31.701 -27.713 1.00 1.41 O ATOM 256 CB SER A 18 5.110 30.473 -28.704 1.00 63.04 C ATOM 257 OG SER A 18 4.231 30.888 -27.662 1.00 42.14 O ATOM 0 H SER A 18 5.100 28.616 -26.763 1.00 13.20 H new ATOM 0 HA SER A 18 6.887 29.367 -29.026 1.00 0.15 H new ATOM 0 HB2 SER A 18 5.450 31.346 -29.262 1.00 63.04 H new ATOM 0 HB3 SER A 18 4.568 29.838 -29.405 1.00 63.04 H new ATOM 0 HG SER A 18 3.471 31.371 -28.048 1.00 42.14 H new ATOM 263 N GLY A 19 7.497 30.076 -26.195 1.00 1.15 N ATOM 264 CA GLY A 19 8.497 30.655 -25.385 1.00 13.43 C ATOM 265 C GLY A 19 8.044 31.728 -24.472 1.00 74.44 C ATOM 266 O GLY A 19 7.238 32.594 -24.823 1.00 10.11 O ATOM 0 H GLY A 19 7.041 29.247 -25.813 1.00 1.15 H new ATOM 0 HA2 GLY A 19 8.957 29.867 -24.789 1.00 13.43 H new ATOM 0 HA3 GLY A 19 9.274 31.059 -26.033 1.00 13.43 H new ATOM 270 N THR A 20 8.580 31.651 -23.326 1.00 44.02 N ATOM 271 CA THR A 20 8.476 32.566 -22.266 1.00 13.54 C ATOM 272 C THR A 20 9.738 32.444 -21.406 1.00 62.31 C ATOM 273 O THR A 20 10.500 33.414 -21.284 1.00 24.21 O ATOM 274 CB THR A 20 7.120 32.341 -21.503 1.00 21.42 C ATOM 275 OG1 THR A 20 5.889 32.679 -22.133 1.00 23.03 O ATOM 276 CG2 THR A 20 6.981 30.949 -20.862 1.00 74.41 C ATOM 0 H THR A 20 9.169 30.856 -23.077 1.00 44.02 H new ATOM 0 HA THR A 20 8.434 33.599 -22.611 1.00 13.54 H new ATOM 0 HB THR A 20 7.257 33.115 -20.748 1.00 21.42 H new ATOM 0 HG1 THR A 20 5.145 32.477 -21.528 1.00 23.03 H new ATOM 0 HG21 THR A 20 6.018 30.876 -20.356 1.00 74.41 H new ATOM 0 HG22 THR A 20 7.043 30.184 -21.636 1.00 74.41 H new ATOM 0 HG23 THR A 20 7.783 30.800 -20.139 1.00 74.41 H new ATOM 284 N LYS A 21 9.992 31.291 -20.888 1.00 71.04 N ATOM 285 CA LYS A 21 11.241 31.094 -20.195 1.00 70.22 C ATOM 286 C LYS A 21 11.997 29.970 -20.879 1.00 4.53 C ATOM 287 O LYS A 21 11.679 28.809 -20.672 1.00 22.42 O ATOM 288 CB LYS A 21 11.038 30.738 -18.717 1.00 14.34 C ATOM 289 CG LYS A 21 10.283 31.771 -17.905 1.00 61.21 C ATOM 290 CD LYS A 21 10.274 31.417 -16.415 1.00 23.02 C ATOM 291 CE LYS A 21 11.531 31.897 -15.651 1.00 22.13 C ATOM 292 NZ LYS A 21 12.825 31.347 -16.137 1.00 23.13 N ATOM 0 H LYS A 21 9.374 30.480 -20.923 1.00 71.04 H new ATOM 0 HA LYS A 21 11.800 32.029 -20.231 1.00 70.22 H new ATOM 0 HB2 LYS A 21 10.503 29.790 -18.658 1.00 14.34 H new ATOM 0 HB3 LYS A 21 12.015 30.582 -18.259 1.00 14.34 H new ATOM 0 HG2 LYS A 21 10.741 32.750 -18.045 1.00 61.21 H new ATOM 0 HG3 LYS A 21 9.258 31.843 -18.269 1.00 61.21 H new ATOM 0 HD2 LYS A 21 9.390 31.855 -15.952 1.00 23.02 H new ATOM 0 HD3 LYS A 21 10.187 30.336 -16.309 1.00 23.02 H new ATOM 0 HE2 LYS A 21 11.575 32.985 -15.706 1.00 22.13 H new ATOM 0 HE3 LYS A 21 11.417 31.635 -14.599 1.00 22.13 H new ATOM 0 HZ1 LYS A 21 13.591 31.647 -15.500 1.00 23.13 H new ATOM 0 HZ2 LYS A 21 12.776 30.308 -16.155 1.00 23.13 H new ATOM 0 HZ3 LYS A 21 13.014 31.701 -17.096 1.00 23.13 H new ATOM 306 N PRO A 22 12.973 30.299 -21.735 1.00 34.02 N ATOM 307 CA PRO A 22 13.807 29.303 -22.403 1.00 64.01 C ATOM 308 C PRO A 22 14.847 28.785 -21.438 1.00 14.25 C ATOM 309 O PRO A 22 15.748 29.535 -20.996 1.00 41.00 O ATOM 310 CB PRO A 22 14.481 30.086 -23.548 1.00 24.41 C ATOM 311 CG PRO A 22 13.839 31.437 -23.542 1.00 30.21 C ATOM 312 CD PRO A 22 13.330 31.651 -22.151 1.00 42.32 C ATOM 0 HA PRO A 22 13.243 28.442 -22.763 1.00 64.01 H new ATOM 0 HB2 PRO A 22 15.557 30.162 -23.391 1.00 24.41 H new ATOM 0 HB3 PRO A 22 14.333 29.586 -24.505 1.00 24.41 H new ATOM 0 HG2 PRO A 22 14.556 32.210 -23.817 1.00 30.21 H new ATOM 0 HG3 PRO A 22 13.025 31.485 -24.266 1.00 30.21 H new ATOM 0 HD2 PRO A 22 14.090 32.088 -21.503 1.00 42.32 H new ATOM 0 HD3 PRO A 22 12.471 32.322 -22.132 1.00 42.32 H new ATOM 320 N GLU A 23 14.736 27.543 -21.092 1.00 1.33 N ATOM 321 CA GLU A 23 15.576 26.912 -20.121 1.00 11.13 C ATOM 322 C GLU A 23 15.785 25.516 -20.631 1.00 40.52 C ATOM 323 O GLU A 23 14.779 24.850 -20.930 1.00 31.50 O ATOM 324 CB GLU A 23 14.829 26.836 -18.772 1.00 63.21 C ATOM 325 CG GLU A 23 14.314 28.179 -18.259 1.00 74.21 C ATOM 326 CD GLU A 23 13.567 28.083 -16.960 1.00 43.24 C ATOM 327 OE1 GLU A 23 12.625 27.269 -16.849 1.00 70.05 O ATOM 328 OE2 GLU A 23 13.865 28.857 -16.036 1.00 63.24 O ATOM 0 H GLU A 23 14.035 26.918 -21.490 1.00 1.33 H new ATOM 0 HA GLU A 23 16.511 27.452 -19.976 1.00 11.13 H new ATOM 0 HB2 GLU A 23 13.986 26.153 -18.876 1.00 63.21 H new ATOM 0 HB3 GLU A 23 15.497 26.407 -18.025 1.00 63.21 H new ATOM 0 HG2 GLU A 23 15.158 28.858 -18.133 1.00 74.21 H new ATOM 0 HG3 GLU A 23 13.660 28.619 -19.012 1.00 74.21 H new ATOM 335 N GLN A 24 17.040 25.081 -20.887 1.00 63.14 N ATOM 336 CA GLN A 24 17.300 23.675 -21.165 1.00 73.30 C ATOM 337 C GLN A 24 16.597 22.855 -20.131 1.00 63.42 C ATOM 338 O GLN A 24 16.688 23.164 -18.938 1.00 24.41 O ATOM 339 CB GLN A 24 18.786 23.314 -21.256 1.00 64.34 C ATOM 340 CG GLN A 24 19.524 23.924 -22.440 1.00 45.44 C ATOM 341 CD GLN A 24 19.669 25.437 -22.394 1.00 72.21 C ATOM 342 OE1 GLN A 24 18.813 26.164 -22.884 1.00 74.22 O ATOM 343 NE2 GLN A 24 20.730 25.915 -21.814 1.00 53.41 N ATOM 0 H GLN A 24 17.865 25.680 -20.904 1.00 63.14 H new ATOM 0 HA GLN A 24 16.912 23.456 -22.160 1.00 73.30 H new ATOM 0 HB2 GLN A 24 19.279 23.632 -20.337 1.00 64.34 H new ATOM 0 HB3 GLN A 24 18.879 22.229 -21.309 1.00 64.34 H new ATOM 0 HG2 GLN A 24 20.518 23.480 -22.498 1.00 45.44 H new ATOM 0 HG3 GLN A 24 18.999 23.652 -23.356 1.00 45.44 H new ATOM 0 HE21 GLN A 24 21.423 25.281 -21.416 1.00 53.41 H new ATOM 0 HE22 GLN A 24 20.869 26.924 -21.757 1.00 53.41 H new ATOM 352 N ARG A 25 16.001 21.805 -20.534 1.00 74.24 N ATOM 353 CA ARG A 25 15.347 20.871 -19.651 1.00 52.41 C ATOM 354 C ARG A 25 15.658 19.540 -20.104 1.00 63.40 C ATOM 355 O ARG A 25 16.384 19.410 -21.052 1.00 62.32 O ATOM 356 CB ARG A 25 13.883 21.058 -19.629 1.00 60.44 C ATOM 357 CG ARG A 25 13.473 22.397 -19.019 1.00 22.01 C ATOM 358 CD ARG A 25 14.063 22.504 -17.626 1.00 72.41 C ATOM 359 NE ARG A 25 13.781 23.759 -16.946 1.00 22.40 N ATOM 360 CZ ARG A 25 14.518 24.256 -15.935 1.00 13.30 C ATOM 361 NH1 ARG A 25 15.630 23.634 -15.538 1.00 51.30 N ATOM 362 NH2 ARG A 25 14.170 25.394 -15.354 1.00 72.11 N ATOM 0 H ARG A 25 15.941 21.544 -21.518 1.00 74.24 H new ATOM 0 HA ARG A 25 15.706 21.038 -18.635 1.00 52.41 H new ATOM 0 HB2 ARG A 25 13.496 20.992 -20.646 1.00 60.44 H new ATOM 0 HB3 ARG A 25 13.425 20.248 -19.061 1.00 60.44 H new ATOM 0 HG2 ARG A 25 13.826 23.219 -19.642 1.00 22.01 H new ATOM 0 HG3 ARG A 25 12.387 22.474 -18.975 1.00 22.01 H new ATOM 0 HD2 ARG A 25 13.681 21.683 -17.019 1.00 72.41 H new ATOM 0 HD3 ARG A 25 15.143 22.376 -17.692 1.00 72.41 H new ATOM 0 HE ARG A 25 12.972 24.297 -17.256 1.00 22.40 H new ATOM 0 HH11 ARG A 25 15.927 22.775 -16.001 1.00 51.30 H new ATOM 0 HH12 ARG A 25 16.183 24.017 -14.771 1.00 51.30 H new ATOM 0 HH21 ARG A 25 13.341 25.897 -15.672 1.00 72.11 H new ATOM 0 HH22 ARG A 25 14.731 25.768 -14.588 1.00 72.11 H new ATOM 376 N ILE A 26 15.119 18.536 -19.485 1.00 74.11 N ATOM 377 CA ILE A 26 15.579 17.235 -19.766 1.00 10.32 C ATOM 378 C ILE A 26 14.400 16.219 -19.784 1.00 73.13 C ATOM 379 O ILE A 26 13.514 16.311 -18.970 1.00 71.35 O ATOM 380 CB ILE A 26 16.504 16.794 -18.606 1.00 54.43 C ATOM 381 CG1 ILE A 26 17.595 17.813 -18.302 1.00 25.40 C ATOM 382 CG2 ILE A 26 17.188 15.552 -19.033 1.00 12.04 C ATOM 383 CD1 ILE A 26 18.184 17.654 -16.934 1.00 4.14 C ATOM 0 H ILE A 26 14.372 18.601 -18.794 1.00 74.11 H new ATOM 0 HA ILE A 26 16.081 17.249 -20.733 1.00 10.32 H new ATOM 0 HB ILE A 26 15.887 16.672 -17.715 1.00 54.43 H new ATOM 0 HG12 ILE A 26 18.387 17.721 -19.045 1.00 25.40 H new ATOM 0 HG13 ILE A 26 17.183 18.817 -18.399 1.00 25.40 H new ATOM 0 HG21 ILE A 26 17.851 15.210 -18.238 1.00 12.04 H new ATOM 0 HG22 ILE A 26 16.446 14.782 -19.243 1.00 12.04 H new ATOM 0 HG23 ILE A 26 17.771 15.749 -19.932 1.00 12.04 H new ATOM 0 HD11 ILE A 26 18.955 18.409 -16.780 1.00 4.14 H new ATOM 0 HD12 ILE A 26 17.402 17.775 -16.185 1.00 4.14 H new ATOM 0 HD13 ILE A 26 18.625 16.662 -16.841 1.00 4.14 H new ATOM 395 N TYR A 27 14.387 15.316 -20.723 1.00 62.23 N ATOM 396 CA TYR A 27 13.241 14.421 -20.945 1.00 23.31 C ATOM 397 C TYR A 27 13.846 13.045 -21.237 1.00 52.03 C ATOM 398 O TYR A 27 15.034 12.956 -21.607 1.00 22.22 O ATOM 399 CB TYR A 27 12.392 14.938 -22.175 1.00 33.54 C ATOM 400 CG TYR A 27 13.081 14.854 -23.507 1.00 74.35 C ATOM 401 CD1 TYR A 27 12.974 13.711 -24.292 1.00 40.22 C ATOM 402 CD2 TYR A 27 13.839 15.908 -23.974 1.00 34.55 C ATOM 403 CE1 TYR A 27 13.610 13.611 -25.499 1.00 1.15 C ATOM 404 CE2 TYR A 27 14.487 15.806 -25.202 1.00 50.45 C ATOM 405 CZ TYR A 27 14.369 14.654 -25.946 1.00 2.53 C ATOM 406 OH TYR A 27 15.002 14.562 -27.165 1.00 25.55 O ATOM 0 H TYR A 27 15.163 15.164 -21.368 1.00 62.23 H new ATOM 0 HA TYR A 27 12.571 14.382 -20.086 1.00 23.31 H new ATOM 0 HB2 TYR A 27 11.467 14.363 -22.225 1.00 33.54 H new ATOM 0 HB3 TYR A 27 12.113 15.976 -21.993 1.00 33.54 H new ATOM 0 HD1 TYR A 27 12.375 12.884 -23.941 1.00 40.22 H new ATOM 0 HD2 TYR A 27 13.930 16.811 -23.388 1.00 34.55 H new ATOM 0 HE1 TYR A 27 13.512 12.714 -26.093 1.00 1.15 H new ATOM 0 HE2 TYR A 27 15.081 16.629 -25.570 1.00 50.45 H new ATOM 0 HH TYR A 27 15.501 15.388 -27.338 1.00 25.55 H new ATOM 416 N TYR A 28 13.069 11.967 -21.013 1.00 75.13 N ATOM 417 CA TYR A 28 13.494 10.611 -21.316 1.00 22.43 C ATOM 418 C TYR A 28 13.321 10.351 -22.783 1.00 44.03 C ATOM 419 O TYR A 28 12.272 10.614 -23.377 1.00 74.33 O ATOM 420 CB TYR A 28 12.749 9.534 -20.464 1.00 75.11 C ATOM 421 CG TYR A 28 12.966 8.077 -20.873 1.00 32.43 C ATOM 422 CD1 TYR A 28 14.070 7.347 -20.524 1.00 25.32 C ATOM 423 CD2 TYR A 28 11.981 7.433 -21.574 1.00 31.33 C ATOM 424 CE1 TYR A 28 14.166 6.012 -20.863 1.00 13.43 C ATOM 425 CE2 TYR A 28 12.076 6.122 -21.924 1.00 11.44 C ATOM 426 CZ TYR A 28 13.159 5.413 -21.564 1.00 44.15 C ATOM 427 OH TYR A 28 13.234 4.079 -21.893 1.00 42.22 O ATOM 0 H TYR A 28 12.131 12.026 -20.616 1.00 75.13 H new ATOM 0 HA TYR A 28 14.547 10.527 -21.049 1.00 22.43 H new ATOM 0 HB2 TYR A 28 13.057 9.647 -19.425 1.00 75.11 H new ATOM 0 HB3 TYR A 28 11.680 9.745 -20.504 1.00 75.11 H new ATOM 0 HD1 TYR A 28 14.873 7.820 -19.978 1.00 25.32 H new ATOM 0 HD2 TYR A 28 11.098 7.986 -21.859 1.00 31.33 H new ATOM 0 HE1 TYR A 28 15.037 5.442 -20.574 1.00 13.43 H new ATOM 0 HE2 TYR A 28 11.284 5.653 -22.489 1.00 11.44 H new ATOM 0 HH TYR A 28 12.431 3.819 -22.391 1.00 42.22 H new ATOM 437 N ASN A 29 14.363 9.895 -23.328 1.00 65.11 N ATOM 438 CA ASN A 29 14.295 9.520 -24.711 1.00 53.12 C ATOM 439 C ASN A 29 13.503 8.260 -24.814 1.00 31.21 C ATOM 440 O ASN A 29 13.742 7.286 -24.137 1.00 60.52 O ATOM 441 CB ASN A 29 15.633 9.231 -25.268 1.00 41.15 C ATOM 442 CG ASN A 29 16.550 10.386 -25.244 1.00 5.22 C ATOM 443 OD1 ASN A 29 17.253 10.570 -24.297 1.00 24.13 O ATOM 444 ND2 ASN A 29 16.562 11.167 -26.309 1.00 54.11 N ATOM 0 H ASN A 29 15.266 9.765 -22.872 1.00 65.11 H new ATOM 0 HA ASN A 29 13.847 10.347 -25.261 1.00 53.12 H new ATOM 0 HB2 ASN A 29 16.081 8.412 -24.706 1.00 41.15 H new ATOM 0 HB3 ASN A 29 15.522 8.889 -26.297 1.00 41.15 H new ATOM 0 HD21 ASN A 29 17.191 11.969 -26.346 1.00 54.11 H new ATOM 0 HD22 ASN A 29 15.942 10.968 -27.094 1.00 54.11 H new ATOM 451 N SER A 30 12.713 8.274 -25.859 1.00 51.01 N ATOM 452 CA SER A 30 11.655 7.305 -26.121 1.00 24.35 C ATOM 453 C SER A 30 12.400 6.110 -26.780 1.00 34.25 C ATOM 454 O SER A 30 12.412 4.991 -26.294 1.00 71.41 O ATOM 455 CB SER A 30 10.708 7.933 -27.162 1.00 61.45 C ATOM 456 OG SER A 30 10.254 9.220 -26.728 1.00 54.30 O ATOM 0 H SER A 30 12.785 8.986 -26.585 1.00 51.01 H new ATOM 0 HA SER A 30 11.088 7.013 -25.237 1.00 24.35 H new ATOM 0 HB2 SER A 30 11.223 8.028 -28.118 1.00 61.45 H new ATOM 0 HB3 SER A 30 9.853 7.277 -27.324 1.00 61.45 H new ATOM 0 HG SER A 30 9.527 9.109 -26.081 1.00 54.30 H new ATOM 462 N ALA A 31 13.002 6.449 -27.939 1.00 74.20 N ATOM 463 CA ALA A 31 13.897 5.531 -28.678 1.00 12.53 C ATOM 464 C ALA A 31 15.096 5.100 -27.795 1.00 62.05 C ATOM 465 O ALA A 31 15.347 3.927 -27.528 1.00 64.24 O ATOM 466 CB ALA A 31 14.379 6.182 -29.972 1.00 5.44 C ATOM 0 H ALA A 31 12.884 7.358 -28.387 1.00 74.20 H new ATOM 0 HA ALA A 31 13.332 4.635 -28.936 1.00 12.53 H new ATOM 0 HB1 ALA A 31 15.036 5.493 -30.503 1.00 5.44 H new ATOM 0 HB2 ALA A 31 13.521 6.422 -30.600 1.00 5.44 H new ATOM 0 HB3 ALA A 31 14.924 7.096 -29.738 1.00 5.44 H new ATOM 472 N LYS A 32 15.829 6.142 -27.411 1.00 12.12 N ATOM 473 CA LYS A 32 17.247 6.045 -26.964 1.00 72.53 C ATOM 474 C LYS A 32 17.469 5.600 -25.525 1.00 44.23 C ATOM 475 O LYS A 32 18.549 5.180 -25.116 1.00 74.23 O ATOM 476 CB LYS A 32 17.895 7.410 -27.095 1.00 50.21 C ATOM 477 CG LYS A 32 17.765 8.035 -28.450 1.00 60.53 C ATOM 478 CD LYS A 32 18.572 9.313 -28.527 1.00 35.22 C ATOM 479 CE LYS A 32 18.429 9.984 -29.880 1.00 35.00 C ATOM 480 NZ LYS A 32 19.218 11.230 -29.978 1.00 34.31 N ATOM 0 H LYS A 32 15.466 7.095 -27.395 1.00 12.12 H new ATOM 0 HA LYS A 32 17.680 5.275 -27.603 1.00 72.53 H new ATOM 0 HB2 LYS A 32 17.454 8.079 -26.357 1.00 50.21 H new ATOM 0 HB3 LYS A 32 18.954 7.320 -26.851 1.00 50.21 H new ATOM 0 HG2 LYS A 32 18.107 7.336 -29.213 1.00 60.53 H new ATOM 0 HG3 LYS A 32 16.717 8.247 -28.659 1.00 60.53 H new ATOM 0 HD2 LYS A 32 18.245 9.998 -27.744 1.00 35.22 H new ATOM 0 HD3 LYS A 32 19.623 9.092 -28.339 1.00 35.22 H new ATOM 0 HE2 LYS A 32 18.748 9.293 -30.660 1.00 35.00 H new ATOM 0 HE3 LYS A 32 17.378 10.208 -30.062 1.00 35.00 H new ATOM 0 HZ1 LYS A 32 19.087 11.651 -30.920 1.00 34.31 H new ATOM 0 HZ2 LYS A 32 18.898 11.902 -29.252 1.00 34.31 H new ATOM 0 HZ3 LYS A 32 20.225 11.016 -29.831 1.00 34.31 H new ATOM 494 N LYS A 33 16.337 5.670 -24.844 1.00 62.04 N ATOM 495 CA LYS A 33 16.234 5.202 -23.455 1.00 21.12 C ATOM 496 C LYS A 33 17.296 5.856 -22.564 1.00 22.13 C ATOM 497 O LYS A 33 17.983 5.205 -21.775 1.00 71.14 O ATOM 498 CB LYS A 33 16.323 3.686 -23.424 1.00 24.02 C ATOM 499 CG LYS A 33 15.191 3.129 -24.207 1.00 74.04 C ATOM 500 CD LYS A 33 14.945 1.692 -23.992 1.00 33.45 C ATOM 501 CE LYS A 33 13.566 1.459 -24.476 1.00 52.30 C ATOM 502 NZ LYS A 33 13.106 0.069 -24.288 1.00 2.23 N ATOM 0 H LYS A 33 15.469 6.046 -25.225 1.00 62.04 H new ATOM 0 HA LYS A 33 15.267 5.500 -23.050 1.00 21.12 H new ATOM 0 HB2 LYS A 33 17.273 3.354 -23.844 1.00 24.02 H new ATOM 0 HB3 LYS A 33 16.285 3.326 -22.396 1.00 24.02 H new ATOM 0 HG2 LYS A 33 14.286 3.681 -23.955 1.00 74.04 H new ATOM 0 HG3 LYS A 33 15.382 3.297 -25.267 1.00 74.04 H new ATOM 0 HD2 LYS A 33 15.663 1.083 -24.541 1.00 33.45 H new ATOM 0 HD3 LYS A 33 15.043 1.429 -22.939 1.00 33.45 H new ATOM 0 HE2 LYS A 33 12.887 2.133 -23.953 1.00 52.30 H new ATOM 0 HE3 LYS A 33 13.513 1.711 -25.535 1.00 52.30 H new ATOM 0 HZ1 LYS A 33 12.135 -0.027 -24.647 1.00 2.23 H new ATOM 0 HZ2 LYS A 33 13.733 -0.577 -24.808 1.00 2.23 H new ATOM 0 HZ3 LYS A 33 13.126 -0.169 -23.276 1.00 2.23 H new ATOM 516 N GLN A 34 17.432 7.140 -22.780 1.00 12.04 N ATOM 517 CA GLN A 34 18.399 8.012 -22.135 1.00 73.13 C ATOM 518 C GLN A 34 17.632 9.189 -21.555 1.00 53.11 C ATOM 519 O GLN A 34 16.422 9.238 -21.675 1.00 73.43 O ATOM 520 CB GLN A 34 19.440 8.498 -23.164 1.00 44.34 C ATOM 521 CG GLN A 34 20.323 7.408 -23.732 1.00 73.34 C ATOM 522 CD GLN A 34 21.282 7.932 -24.773 1.00 43.23 C ATOM 523 OE1 GLN A 34 20.988 7.933 -25.976 1.00 22.00 O ATOM 524 NE2 GLN A 34 22.395 8.439 -24.327 1.00 21.13 N ATOM 0 H GLN A 34 16.842 7.639 -23.446 1.00 12.04 H new ATOM 0 HA GLN A 34 18.934 7.483 -21.347 1.00 73.13 H new ATOM 0 HB2 GLN A 34 18.918 8.989 -23.985 1.00 44.34 H new ATOM 0 HB3 GLN A 34 20.072 9.251 -22.693 1.00 44.34 H new ATOM 0 HG2 GLN A 34 20.887 6.942 -22.924 1.00 73.34 H new ATOM 0 HG3 GLN A 34 19.699 6.631 -24.174 1.00 73.34 H new ATOM 0 HE21 GLN A 34 22.600 8.419 -23.328 1.00 21.13 H new ATOM 0 HE22 GLN A 34 23.062 8.857 -24.976 1.00 21.13 H new ATOM 533 N CYS A 35 18.369 10.189 -21.098 1.00 4.42 N ATOM 534 CA CYS A 35 17.887 11.378 -20.403 1.00 74.44 C ATOM 535 C CYS A 35 18.638 12.436 -21.085 1.00 42.21 C ATOM 536 O CYS A 35 19.856 12.528 -20.867 1.00 31.03 O ATOM 537 CB CYS A 35 18.299 11.369 -18.865 1.00 44.12 C ATOM 538 SG CYS A 35 17.717 12.832 -17.857 1.00 34.44 S ATOM 0 H CYS A 35 19.383 10.195 -21.208 1.00 4.42 H new ATOM 0 HA CYS A 35 16.802 11.475 -20.427 1.00 74.44 H new ATOM 0 HB2 CYS A 35 17.908 10.459 -18.409 1.00 44.12 H new ATOM 0 HB3 CYS A 35 19.386 11.316 -18.800 1.00 44.12 H new ATOM 543 N VAL A 36 18.067 13.214 -21.964 1.00 52.43 N ATOM 544 CA VAL A 36 18.761 14.182 -22.715 1.00 55.41 C ATOM 545 C VAL A 36 17.991 15.463 -22.561 1.00 50.40 C ATOM 546 O VAL A 36 16.820 15.456 -22.154 1.00 22.31 O ATOM 547 CB VAL A 36 18.839 13.860 -24.243 1.00 13.41 C ATOM 548 CG1 VAL A 36 19.421 12.507 -24.527 1.00 42.25 C ATOM 549 CG2 VAL A 36 17.489 13.968 -24.909 1.00 43.34 C ATOM 0 H VAL A 36 17.069 13.177 -22.172 1.00 52.43 H new ATOM 0 HA VAL A 36 19.787 14.226 -22.348 1.00 55.41 H new ATOM 0 HB VAL A 36 19.509 14.612 -24.660 1.00 13.41 H new ATOM 0 HG11 VAL A 36 19.449 12.342 -25.604 1.00 42.25 H new ATOM 0 HG12 VAL A 36 20.433 12.455 -24.126 1.00 42.25 H new ATOM 0 HG13 VAL A 36 18.805 11.740 -24.058 1.00 42.25 H new ATOM 0 HG21 VAL A 36 17.587 13.737 -25.970 1.00 43.34 H new ATOM 0 HG22 VAL A 36 16.798 13.264 -24.446 1.00 43.34 H new ATOM 0 HG23 VAL A 36 17.106 14.982 -24.793 1.00 43.34 H new ATOM 559 N THR A 37 18.622 16.532 -22.866 1.00 24.43 N ATOM 560 CA THR A 37 18.016 17.805 -22.765 1.00 1.43 C ATOM 561 C THR A 37 17.201 18.235 -23.978 1.00 30.53 C ATOM 562 O THR A 37 17.420 17.780 -25.108 1.00 32.13 O ATOM 563 CB THR A 37 19.065 18.882 -22.406 1.00 33.51 C ATOM 564 OG1 THR A 37 20.170 18.850 -23.328 1.00 25.21 O ATOM 565 CG2 THR A 37 19.562 18.693 -21.003 1.00 33.35 C ATOM 0 H THR A 37 19.587 16.549 -23.197 1.00 24.43 H new ATOM 0 HA THR A 37 17.290 17.705 -21.958 1.00 1.43 H new ATOM 0 HB THR A 37 18.581 19.856 -22.478 1.00 33.51 H new ATOM 0 HG1 THR A 37 20.821 19.541 -23.083 1.00 25.21 H new ATOM 0 HG21 THR A 37 20.299 19.462 -20.772 1.00 33.35 H new ATOM 0 HG22 THR A 37 18.726 18.770 -20.307 1.00 33.35 H new ATOM 0 HG23 THR A 37 20.022 17.709 -20.909 1.00 33.35 H new ATOM 573 N PHE A 38 16.276 19.129 -23.709 1.00 35.03 N ATOM 574 CA PHE A 38 15.470 19.731 -24.683 1.00 34.21 C ATOM 575 C PHE A 38 15.328 21.163 -24.328 1.00 70.44 C ATOM 576 O PHE A 38 15.641 21.579 -23.216 1.00 73.42 O ATOM 577 CB PHE A 38 14.097 19.161 -24.774 1.00 31.42 C ATOM 578 CG PHE A 38 13.145 19.356 -23.638 1.00 41.24 C ATOM 579 CD1 PHE A 38 13.201 18.642 -22.467 1.00 53.15 C ATOM 580 CD2 PHE A 38 12.133 20.253 -23.819 1.00 14.50 C ATOM 581 CE1 PHE A 38 12.249 18.838 -21.497 1.00 33.13 C ATOM 582 CE2 PHE A 38 11.196 20.472 -22.883 1.00 72.05 C ATOM 583 CZ PHE A 38 11.243 19.763 -21.704 1.00 33.53 C ATOM 0 H PHE A 38 16.077 19.452 -22.762 1.00 35.03 H new ATOM 0 HA PHE A 38 15.956 19.562 -25.644 1.00 34.21 H new ATOM 0 HB2 PHE A 38 13.629 19.575 -25.667 1.00 31.42 H new ATOM 0 HB3 PHE A 38 14.198 18.088 -24.935 1.00 31.42 H new ATOM 0 HD1 PHE A 38 13.994 17.926 -22.309 1.00 53.15 H new ATOM 0 HD2 PHE A 38 12.084 20.805 -24.746 1.00 14.50 H new ATOM 0 HE1 PHE A 38 12.286 18.273 -20.578 1.00 33.13 H new ATOM 0 HE2 PHE A 38 10.414 21.197 -23.053 1.00 72.05 H new ATOM 0 HZ PHE A 38 10.495 19.929 -20.942 1.00 33.53 H new ATOM 593 N THR A 39 14.904 21.880 -25.261 1.00 11.22 N ATOM 594 CA THR A 39 14.625 23.275 -25.139 1.00 21.13 C ATOM 595 C THR A 39 13.218 23.424 -24.557 1.00 54.41 C ATOM 596 O THR A 39 12.248 22.983 -25.158 1.00 74.45 O ATOM 597 CB THR A 39 14.588 23.846 -26.555 1.00 4.35 C ATOM 598 OG1 THR A 39 15.814 23.511 -27.252 1.00 3.33 O ATOM 599 CG2 THR A 39 14.389 25.354 -26.557 1.00 43.32 C ATOM 0 H THR A 39 14.723 21.515 -26.196 1.00 11.22 H new ATOM 0 HA THR A 39 15.365 23.775 -24.514 1.00 21.13 H new ATOM 0 HB THR A 39 13.736 23.400 -27.068 1.00 4.35 H new ATOM 0 HG1 THR A 39 15.785 23.878 -28.160 1.00 3.33 H new ATOM 0 HG21 THR A 39 14.369 25.717 -27.585 1.00 43.32 H new ATOM 0 HG22 THR A 39 13.446 25.597 -26.068 1.00 43.32 H new ATOM 0 HG23 THR A 39 15.209 25.830 -26.020 1.00 43.32 H new ATOM 607 N TYR A 40 13.124 24.003 -23.390 1.00 40.34 N ATOM 608 CA TYR A 40 11.823 24.184 -22.816 1.00 23.45 C ATOM 609 C TYR A 40 11.516 25.642 -22.724 1.00 53.14 C ATOM 610 O TYR A 40 12.187 26.377 -22.017 1.00 20.10 O ATOM 611 CB TYR A 40 11.729 23.522 -21.438 1.00 31.30 C ATOM 612 CG TYR A 40 10.338 23.513 -20.748 1.00 62.12 C ATOM 613 CD1 TYR A 40 9.898 24.588 -19.996 1.00 75.20 C ATOM 614 CD2 TYR A 40 9.485 22.396 -20.830 1.00 22.03 C ATOM 615 CE1 TYR A 40 8.666 24.561 -19.352 1.00 12.23 C ATOM 616 CE2 TYR A 40 8.263 22.375 -20.200 1.00 35.21 C ATOM 617 CZ TYR A 40 7.856 23.453 -19.465 1.00 43.32 C ATOM 618 OH TYR A 40 6.630 23.416 -18.819 1.00 52.31 O ATOM 0 H TYR A 40 13.907 24.347 -22.834 1.00 40.34 H new ATOM 0 HA TYR A 40 11.087 23.703 -23.461 1.00 23.45 H new ATOM 0 HB2 TYR A 40 12.064 22.489 -21.536 1.00 31.30 H new ATOM 0 HB3 TYR A 40 12.432 24.024 -20.774 1.00 31.30 H new ATOM 0 HD1 TYR A 40 10.523 25.464 -19.908 1.00 75.20 H new ATOM 0 HD2 TYR A 40 9.798 21.535 -21.402 1.00 22.03 H new ATOM 0 HE1 TYR A 40 8.345 25.408 -18.764 1.00 12.23 H new ATOM 0 HE2 TYR A 40 7.625 21.508 -20.286 1.00 35.21 H new ATOM 0 HH TYR A 40 6.187 22.562 -19.006 1.00 52.31 H new ATOM 628 N ASN A 41 10.550 26.060 -23.481 1.00 10.54 N ATOM 629 CA ASN A 41 10.233 27.448 -23.573 1.00 2.51 C ATOM 630 C ASN A 41 9.152 27.837 -22.613 1.00 1.44 C ATOM 631 O ASN A 41 9.029 29.006 -22.261 1.00 10.43 O ATOM 632 CB ASN A 41 9.973 27.890 -25.015 1.00 12.24 C ATOM 633 CG ASN A 41 11.208 27.820 -25.900 1.00 61.43 C ATOM 634 OD1 ASN A 41 12.323 28.009 -25.438 1.00 60.52 O ATOM 635 ND2 ASN A 41 11.021 27.581 -27.174 1.00 2.40 N ATOM 0 H ASN A 41 9.962 25.451 -24.050 1.00 10.54 H new ATOM 0 HA ASN A 41 11.115 28.007 -23.261 1.00 2.51 H new ATOM 0 HB2 ASN A 41 9.192 27.263 -25.444 1.00 12.24 H new ATOM 0 HB3 ASN A 41 9.595 28.912 -25.011 1.00 12.24 H new ATOM 0 HD21 ASN A 41 11.818 27.549 -27.809 1.00 2.40 H new ATOM 0 HD22 ASN A 41 10.078 27.427 -27.531 1.00 2.40 H new ATOM 642 N GLY A 42 8.328 26.881 -22.223 1.00 51.53 N ATOM 643 CA GLY A 42 7.489 27.119 -21.080 1.00 55.14 C ATOM 644 C GLY A 42 6.027 27.390 -21.303 1.00 20.41 C ATOM 645 O GLY A 42 5.378 27.883 -20.375 1.00 0.14 O ATOM 0 H GLY A 42 8.228 25.968 -22.666 1.00 51.53 H new ATOM 0 HA2 GLY A 42 7.568 26.251 -20.425 1.00 55.14 H new ATOM 0 HA3 GLY A 42 7.904 27.968 -20.536 1.00 55.14 H new ATOM 649 N LYS A 43 5.453 27.126 -22.470 1.00 23.34 N ATOM 650 CA LYS A 43 4.054 27.438 -22.694 1.00 21.52 C ATOM 651 C LYS A 43 3.298 26.253 -23.376 1.00 53.22 C ATOM 652 O LYS A 43 3.347 25.103 -22.943 1.00 32.13 O ATOM 653 CB LYS A 43 3.951 28.652 -23.665 1.00 3.44 C ATOM 654 CG LYS A 43 4.678 29.926 -23.354 1.00 50.14 C ATOM 655 CD LYS A 43 4.169 31.019 -24.302 1.00 23.42 C ATOM 656 CE LYS A 43 2.665 31.250 -24.108 1.00 1.51 C ATOM 657 NZ LYS A 43 2.066 32.146 -25.120 1.00 62.12 N ATOM 0 H LYS A 43 5.931 26.702 -23.265 1.00 23.34 H new ATOM 0 HA LYS A 43 3.609 27.647 -21.721 1.00 21.52 H new ATOM 0 HB2 LYS A 43 4.293 28.314 -24.643 1.00 3.44 H new ATOM 0 HB3 LYS A 43 2.894 28.898 -23.765 1.00 3.44 H new ATOM 0 HG2 LYS A 43 4.509 30.215 -22.317 1.00 50.14 H new ATOM 0 HG3 LYS A 43 5.752 29.789 -23.476 1.00 50.14 H new ATOM 0 HD2 LYS A 43 4.711 31.947 -24.119 1.00 23.42 H new ATOM 0 HD3 LYS A 43 4.367 30.732 -25.335 1.00 23.42 H new ATOM 0 HE2 LYS A 43 2.152 30.289 -24.138 1.00 1.51 H new ATOM 0 HE3 LYS A 43 2.496 31.671 -23.117 1.00 1.51 H new ATOM 0 HZ1 LYS A 43 1.050 32.257 -24.928 1.00 62.12 H new ATOM 0 HZ2 LYS A 43 2.530 33.076 -25.078 1.00 62.12 H new ATOM 0 HZ3 LYS A 43 2.196 31.736 -26.067 1.00 62.12 H new ATOM 671 N GLY A 44 2.590 26.695 -24.410 1.00 24.11 N ATOM 672 CA GLY A 44 1.883 25.832 -25.347 1.00 4.22 C ATOM 673 C GLY A 44 2.406 24.450 -25.611 1.00 21.41 C ATOM 674 O GLY A 44 3.574 24.244 -25.956 1.00 23.41 O ATOM 0 H GLY A 44 2.490 27.687 -24.624 1.00 24.11 H new ATOM 0 HA2 GLY A 44 0.858 25.732 -24.990 1.00 4.22 H new ATOM 0 HA3 GLY A 44 1.838 26.354 -26.303 1.00 4.22 H new ATOM 678 N GLY A 45 1.485 23.524 -25.527 1.00 3.13 N ATOM 679 CA GLY A 45 1.785 22.174 -25.851 1.00 64.21 C ATOM 680 C GLY A 45 2.313 21.392 -24.715 1.00 2.34 C ATOM 681 O GLY A 45 2.138 21.737 -23.540 1.00 10.31 O ATOM 0 H GLY A 45 0.522 23.692 -25.235 1.00 3.13 H new ATOM 0 HA2 GLY A 45 0.882 21.691 -26.225 1.00 64.21 H new ATOM 0 HA3 GLY A 45 2.514 22.158 -26.661 1.00 64.21 H new ATOM 685 N ASN A 46 2.888 20.295 -25.102 1.00 34.35 N ATOM 686 CA ASN A 46 3.415 19.400 -24.100 1.00 53.55 C ATOM 687 C ASN A 46 4.564 19.874 -23.286 1.00 12.32 C ATOM 688 O ASN A 46 5.421 20.618 -23.688 1.00 31.41 O ATOM 689 CB ASN A 46 3.711 18.033 -24.693 1.00 75.21 C ATOM 690 CG ASN A 46 2.470 17.263 -25.157 1.00 14.13 C ATOM 691 OD1 ASN A 46 1.450 17.844 -25.557 1.00 75.54 O ATOM 692 ND2 ASN A 46 2.560 15.960 -25.152 1.00 62.44 N ATOM 0 H ASN A 46 3.006 19.998 -26.071 1.00 34.35 H new ATOM 0 HA ASN A 46 2.602 19.347 -23.376 1.00 53.55 H new ATOM 0 HB2 ASN A 46 4.385 18.156 -25.540 1.00 75.21 H new ATOM 0 HB3 ASN A 46 4.239 17.435 -23.950 1.00 75.21 H new ATOM 0 HD21 ASN A 46 1.779 15.394 -25.483 1.00 62.44 H new ATOM 0 HD22 ASN A 46 3.411 15.509 -24.817 1.00 62.44 H new ATOM 699 N GLY A 47 4.479 19.414 -22.090 1.00 35.22 N ATOM 700 CA GLY A 47 5.438 19.776 -21.122 1.00 11.24 C ATOM 701 C GLY A 47 6.074 18.622 -20.462 1.00 73.54 C ATOM 702 O GLY A 47 6.174 18.602 -19.228 1.00 40.14 O ATOM 0 H GLY A 47 3.749 18.782 -21.761 1.00 35.22 H new ATOM 0 HA2 GLY A 47 6.209 20.383 -21.596 1.00 11.24 H new ATOM 0 HA3 GLY A 47 4.961 20.399 -20.366 1.00 11.24 H new ATOM 706 N ASN A 48 6.440 17.613 -21.225 1.00 32.23 N ATOM 707 CA ASN A 48 7.247 16.554 -20.656 1.00 55.31 C ATOM 708 C ASN A 48 8.593 17.142 -20.375 1.00 3.33 C ATOM 709 O ASN A 48 9.372 17.394 -21.286 1.00 21.01 O ATOM 710 CB ASN A 48 7.414 15.341 -21.553 1.00 31.23 C ATOM 711 CG ASN A 48 8.229 14.277 -20.832 1.00 54.40 C ATOM 712 OD1 ASN A 48 8.162 14.165 -19.602 1.00 64.13 O ATOM 713 ND2 ASN A 48 9.008 13.513 -21.548 1.00 25.31 N ATOM 0 H ASN A 48 6.201 17.504 -22.211 1.00 32.23 H new ATOM 0 HA ASN A 48 6.739 16.189 -19.763 1.00 55.31 H new ATOM 0 HB2 ASN A 48 6.437 14.942 -21.826 1.00 31.23 H new ATOM 0 HB3 ASN A 48 7.911 15.628 -22.480 1.00 31.23 H new ATOM 0 HD21 ASN A 48 9.581 12.802 -21.095 1.00 25.31 H new ATOM 0 HD22 ASN A 48 9.043 13.627 -22.561 1.00 25.31 H new ATOM 720 N ASN A 49 8.838 17.377 -19.139 1.00 42.52 N ATOM 721 CA ASN A 49 9.964 18.078 -18.652 1.00 23.43 C ATOM 722 C ASN A 49 10.402 17.494 -17.355 1.00 44.15 C ATOM 723 O ASN A 49 9.577 17.305 -16.446 1.00 50.54 O ATOM 724 CB ASN A 49 9.540 19.537 -18.406 1.00 23.31 C ATOM 725 CG ASN A 49 10.594 20.386 -17.715 1.00 14.04 C ATOM 726 OD1 ASN A 49 11.769 20.138 -17.818 1.00 63.34 O ATOM 727 ND2 ASN A 49 10.161 21.391 -16.991 1.00 64.10 N ATOM 0 H ASN A 49 8.216 17.064 -18.394 1.00 42.52 H new ATOM 0 HA ASN A 49 10.780 18.016 -19.372 1.00 23.43 H new ATOM 0 HB2 ASN A 49 9.290 19.997 -19.362 1.00 23.31 H new ATOM 0 HB3 ASN A 49 8.633 19.543 -17.802 1.00 23.31 H new ATOM 0 HD21 ASN A 49 10.825 21.987 -16.497 1.00 64.10 H new ATOM 0 HD22 ASN A 49 9.160 21.576 -16.923 1.00 64.10 H new ATOM 734 N PHE A 50 11.656 17.175 -17.248 1.00 40.20 N ATOM 735 CA PHE A 50 12.242 16.852 -15.990 1.00 32.10 C ATOM 736 C PHE A 50 13.377 17.862 -15.888 1.00 70.24 C ATOM 737 O PHE A 50 14.204 17.943 -16.770 1.00 64.42 O ATOM 738 CB PHE A 50 12.728 15.352 -15.937 1.00 53.23 C ATOM 739 CG PHE A 50 11.627 14.391 -16.293 1.00 72.24 C ATOM 740 CD1 PHE A 50 10.603 14.123 -15.402 1.00 12.41 C ATOM 741 CD2 PHE A 50 11.601 13.783 -17.540 1.00 33.40 C ATOM 742 CE1 PHE A 50 9.575 13.271 -15.748 1.00 32.35 C ATOM 743 CE2 PHE A 50 10.581 12.925 -17.889 1.00 54.32 C ATOM 744 CZ PHE A 50 9.563 12.672 -16.993 1.00 12.54 C ATOM 0 H PHE A 50 12.302 17.132 -18.037 1.00 40.20 H new ATOM 0 HA PHE A 50 11.552 16.917 -15.149 1.00 32.10 H new ATOM 0 HB2 PHE A 50 13.563 15.217 -16.624 1.00 53.23 H new ATOM 0 HB3 PHE A 50 13.098 15.126 -14.937 1.00 53.23 H new ATOM 0 HD1 PHE A 50 10.609 14.585 -14.426 1.00 12.41 H new ATOM 0 HD2 PHE A 50 12.392 13.985 -18.247 1.00 33.40 H new ATOM 0 HE1 PHE A 50 8.779 13.072 -15.046 1.00 32.35 H new ATOM 0 HE2 PHE A 50 10.578 12.452 -18.860 1.00 54.32 H new ATOM 0 HZ PHE A 50 8.757 12.006 -17.265 1.00 12.54 H new ATOM 754 N SER A 51 13.419 18.624 -14.850 1.00 41.40 N ATOM 755 CA SER A 51 14.325 19.756 -14.721 1.00 23.03 C ATOM 756 C SER A 51 15.482 19.416 -13.825 1.00 55.35 C ATOM 757 O SER A 51 16.345 20.284 -13.575 1.00 53.13 O ATOM 758 CB SER A 51 13.520 20.905 -14.129 1.00 10.41 C ATOM 759 OG SER A 51 12.886 20.488 -12.912 1.00 71.32 O ATOM 0 H SER A 51 12.817 18.490 -14.038 1.00 41.40 H new ATOM 0 HA SER A 51 14.738 20.026 -15.693 1.00 23.03 H new ATOM 0 HB2 SER A 51 14.174 21.755 -13.935 1.00 10.41 H new ATOM 0 HB3 SER A 51 12.768 21.239 -14.844 1.00 10.41 H new ATOM 0 HG SER A 51 12.372 21.234 -12.538 1.00 71.32 H new ATOM 765 N ARG A 52 15.568 18.206 -13.384 1.00 2.33 N ATOM 766 CA ARG A 52 16.676 17.765 -12.600 1.00 43.33 C ATOM 767 C ARG A 52 17.024 16.373 -13.034 1.00 61.02 C ATOM 768 O ARG A 52 16.144 15.527 -13.241 1.00 51.43 O ATOM 769 CB ARG A 52 16.368 17.844 -11.106 1.00 55.40 C ATOM 770 CG ARG A 52 16.197 19.273 -10.582 1.00 43.41 C ATOM 771 CD ARG A 52 16.093 19.336 -9.073 1.00 54.45 C ATOM 772 NE ARG A 52 14.957 18.585 -8.556 1.00 3.33 N ATOM 773 CZ ARG A 52 14.561 18.571 -7.292 1.00 32.44 C ATOM 774 NH1 ARG A 52 15.160 19.337 -6.395 1.00 73.22 N ATOM 775 NH2 ARG A 52 13.553 17.803 -6.934 1.00 50.23 N ATOM 0 H ARG A 52 14.865 17.487 -13.558 1.00 2.33 H new ATOM 0 HA ARG A 52 17.534 18.418 -12.760 1.00 43.33 H new ATOM 0 HB2 ARG A 52 15.457 17.282 -10.903 1.00 55.40 H new ATOM 0 HB3 ARG A 52 17.172 17.359 -10.553 1.00 55.40 H new ATOM 0 HG2 ARG A 52 17.042 19.879 -10.909 1.00 43.41 H new ATOM 0 HG3 ARG A 52 15.301 19.712 -11.022 1.00 43.41 H new ATOM 0 HD2 ARG A 52 17.011 18.947 -8.633 1.00 54.45 H new ATOM 0 HD3 ARG A 52 16.007 20.377 -8.762 1.00 54.45 H new ATOM 0 HE ARG A 52 14.423 18.025 -9.221 1.00 3.33 H new ATOM 0 HH11 ARG A 52 15.931 19.943 -6.675 1.00 73.22 H new ATOM 0 HH12 ARG A 52 14.851 19.322 -5.423 1.00 73.22 H new ATOM 0 HH21 ARG A 52 13.082 17.223 -7.628 1.00 50.23 H new ATOM 0 HH22 ARG A 52 13.243 17.788 -5.962 1.00 50.23 H new ATOM 789 N THR A 53 18.318 16.161 -13.222 1.00 52.43 N ATOM 790 CA THR A 53 18.871 14.920 -13.727 1.00 43.33 C ATOM 791 C THR A 53 18.567 13.788 -12.759 1.00 54.54 C ATOM 792 O THR A 53 18.283 12.677 -13.165 1.00 42.20 O ATOM 793 CB THR A 53 20.408 15.038 -13.924 1.00 23.44 C ATOM 794 OG1 THR A 53 20.704 16.183 -14.754 1.00 62.14 O ATOM 795 CG2 THR A 53 20.969 13.788 -14.599 1.00 53.24 C ATOM 0 H THR A 53 19.027 16.866 -13.022 1.00 52.43 H new ATOM 0 HA THR A 53 18.412 14.709 -14.693 1.00 43.33 H new ATOM 0 HB THR A 53 20.868 15.150 -12.942 1.00 23.44 H new ATOM 0 HG1 THR A 53 21.674 16.257 -14.876 1.00 62.14 H new ATOM 0 HG21 THR A 53 22.046 13.895 -14.726 1.00 53.24 H new ATOM 0 HG22 THR A 53 20.762 12.916 -13.979 1.00 53.24 H new ATOM 0 HG23 THR A 53 20.500 13.660 -15.575 1.00 53.24 H new ATOM 803 N ASN A 54 18.561 14.082 -11.473 1.00 11.21 N ATOM 804 CA ASN A 54 18.243 13.052 -10.515 1.00 44.14 C ATOM 805 C ASN A 54 16.764 12.775 -10.480 1.00 3.42 C ATOM 806 O ASN A 54 16.355 11.729 -10.008 1.00 2.11 O ATOM 807 CB ASN A 54 18.800 13.304 -9.107 1.00 33.44 C ATOM 808 CG ASN A 54 20.318 13.279 -9.056 1.00 71.32 C ATOM 809 OD1 ASN A 54 20.969 12.634 -9.872 1.00 12.00 O ATOM 810 ND2 ASN A 54 20.893 13.948 -8.093 1.00 55.34 N ATOM 0 H ASN A 54 18.767 15.000 -11.079 1.00 11.21 H new ATOM 0 HA ASN A 54 18.757 12.159 -10.870 1.00 44.14 H new ATOM 0 HB2 ASN A 54 18.446 14.271 -8.750 1.00 33.44 H new ATOM 0 HB3 ASN A 54 18.407 12.549 -8.426 1.00 33.44 H new ATOM 0 HD21 ASN A 54 21.909 13.943 -8.005 1.00 55.34 H new ATOM 0 HD22 ASN A 54 20.326 14.475 -7.429 1.00 55.34 H new ATOM 817 N ASP A 55 15.952 13.682 -11.034 1.00 62.03 N ATOM 818 CA ASP A 55 14.503 13.507 -11.113 1.00 42.25 C ATOM 819 C ASP A 55 14.138 12.657 -12.298 1.00 1.25 C ATOM 820 O ASP A 55 13.230 11.842 -12.212 1.00 30.54 O ATOM 821 CB ASP A 55 13.733 14.841 -11.204 1.00 43.41 C ATOM 822 CG ASP A 55 13.799 15.707 -9.987 1.00 13.32 C ATOM 823 OD1 ASP A 55 13.910 15.184 -8.862 1.00 60.43 O ATOM 824 OD2 ASP A 55 13.671 16.925 -10.128 1.00 23.35 O ATOM 0 H ASP A 55 16.284 14.557 -11.439 1.00 62.03 H new ATOM 0 HA ASP A 55 14.211 13.017 -10.184 1.00 42.25 H new ATOM 0 HB2 ASP A 55 14.119 15.406 -12.052 1.00 43.41 H new ATOM 0 HB3 ASP A 55 12.687 14.623 -11.417 1.00 43.41 H new ATOM 829 N CYS A 56 14.844 12.831 -13.415 1.00 74.43 N ATOM 830 CA CYS A 56 14.536 12.064 -14.598 1.00 73.03 C ATOM 831 C CYS A 56 14.894 10.622 -14.349 1.00 32.45 C ATOM 832 O CYS A 56 14.193 9.722 -14.792 1.00 34.53 O ATOM 833 CB CYS A 56 15.326 12.560 -15.874 1.00 52.33 C ATOM 834 SG CYS A 56 17.169 12.316 -15.924 1.00 21.30 S ATOM 0 H CYS A 56 15.618 13.487 -13.515 1.00 74.43 H new ATOM 0 HA CYS A 56 13.472 12.189 -14.797 1.00 73.03 H new ATOM 0 HB2 CYS A 56 14.901 12.058 -16.743 1.00 52.33 H new ATOM 0 HB3 CYS A 56 15.129 13.625 -15.993 1.00 52.33 H new ATOM 839 N ARG A 57 15.968 10.411 -13.628 1.00 2.25 N ATOM 840 CA ARG A 57 16.409 9.059 -13.313 1.00 61.51 C ATOM 841 C ARG A 57 15.387 8.315 -12.434 1.00 23.32 C ATOM 842 O ARG A 57 15.297 7.088 -12.480 1.00 74.01 O ATOM 843 CB ARG A 57 17.801 9.056 -12.707 1.00 30.34 C ATOM 844 CG ARG A 57 18.812 9.712 -13.606 1.00 43.21 C ATOM 845 CD ARG A 57 20.223 9.315 -13.228 1.00 71.30 C ATOM 846 NE ARG A 57 20.476 7.878 -13.450 1.00 53.41 N ATOM 847 CZ ARG A 57 21.669 7.329 -13.753 1.00 22.30 C ATOM 848 NH1 ARG A 57 22.750 8.098 -13.901 1.00 61.34 N ATOM 849 NH2 ARG A 57 21.773 6.004 -13.923 1.00 3.13 N ATOM 0 H ARG A 57 16.557 11.151 -13.246 1.00 2.25 H new ATOM 0 HA ARG A 57 16.471 8.508 -14.251 1.00 61.51 H new ATOM 0 HB2 ARG A 57 17.779 9.574 -11.748 1.00 30.34 H new ATOM 0 HB3 ARG A 57 18.107 8.029 -12.508 1.00 30.34 H new ATOM 0 HG2 ARG A 57 18.618 9.431 -14.641 1.00 43.21 H new ATOM 0 HG3 ARG A 57 18.708 10.795 -13.545 1.00 43.21 H new ATOM 0 HD2 ARG A 57 20.932 9.902 -13.812 1.00 71.30 H new ATOM 0 HD3 ARG A 57 20.398 9.555 -12.179 1.00 71.30 H new ATOM 0 HE ARG A 57 19.680 7.246 -13.367 1.00 53.41 H new ATOM 0 HH11 ARG A 57 22.677 9.109 -13.785 1.00 61.34 H new ATOM 0 HH12 ARG A 57 23.649 7.675 -14.130 1.00 61.34 H new ATOM 0 HH21 ARG A 57 20.949 5.411 -13.823 1.00 3.13 H new ATOM 0 HH22 ARG A 57 22.676 5.589 -14.152 1.00 3.13 H new ATOM 863 N GLN A 58 14.642 9.075 -11.626 1.00 44.20 N ATOM 864 CA GLN A 58 13.532 8.532 -10.803 1.00 2.35 C ATOM 865 C GLN A 58 12.537 7.889 -11.667 1.00 43.30 C ATOM 866 O GLN A 58 12.253 6.693 -11.557 1.00 32.35 O ATOM 867 CB GLN A 58 12.830 9.625 -10.038 1.00 35.21 C ATOM 868 CG GLN A 58 13.733 10.479 -9.176 1.00 5.30 C ATOM 869 CD GLN A 58 14.423 9.715 -8.072 1.00 24.53 C ATOM 870 OE1 GLN A 58 13.898 8.742 -7.537 1.00 0.15 O ATOM 871 NE2 GLN A 58 15.610 10.121 -7.750 1.00 34.32 N ATOM 0 H GLN A 58 14.782 10.079 -11.517 1.00 44.20 H new ATOM 0 HA GLN A 58 13.967 7.817 -10.105 1.00 2.35 H new ATOM 0 HB2 GLN A 58 12.312 10.270 -10.748 1.00 35.21 H new ATOM 0 HB3 GLN A 58 12.068 9.173 -9.404 1.00 35.21 H new ATOM 0 HG2 GLN A 58 14.488 10.946 -9.809 1.00 5.30 H new ATOM 0 HG3 GLN A 58 13.144 11.284 -8.735 1.00 5.30 H new ATOM 0 HE21 GLN A 58 16.015 10.933 -8.215 1.00 34.32 H new ATOM 0 HE22 GLN A 58 16.140 9.628 -7.031 1.00 34.32 H new ATOM 880 N THR A 59 11.990 8.725 -12.446 1.00 2.23 N ATOM 881 CA THR A 59 11.156 8.480 -13.487 1.00 65.34 C ATOM 882 C THR A 59 11.597 7.267 -14.275 1.00 42.35 C ATOM 883 O THR A 59 11.070 6.178 -14.073 1.00 35.33 O ATOM 884 CB THR A 59 11.331 9.828 -14.235 1.00 51.34 C ATOM 885 OG1 THR A 59 10.797 10.904 -13.491 1.00 1.02 O ATOM 886 CG2 THR A 59 10.993 9.920 -15.660 1.00 64.25 C ATOM 0 H THR A 59 12.155 9.725 -12.332 1.00 2.23 H new ATOM 0 HA THR A 59 10.122 8.229 -13.248 1.00 65.34 H new ATOM 0 HB THR A 59 12.417 9.895 -14.292 1.00 51.34 H new ATOM 0 HG1 THR A 59 11.525 11.389 -13.048 1.00 1.02 H new ATOM 0 HG21 THR A 59 11.178 10.934 -16.013 1.00 64.25 H new ATOM 0 HG22 THR A 59 11.609 9.221 -16.226 1.00 64.25 H new ATOM 0 HG23 THR A 59 9.941 9.673 -15.801 1.00 64.25 H new ATOM 894 N CYS A 60 12.554 7.431 -15.051 1.00 41.11 N ATOM 895 CA CYS A 60 12.893 6.445 -16.062 1.00 65.12 C ATOM 896 C CYS A 60 14.002 6.919 -16.820 1.00 71.03 C ATOM 897 O CYS A 60 13.764 7.673 -17.709 1.00 61.43 O ATOM 898 CB CYS A 60 11.804 6.350 -17.158 1.00 13.01 C ATOM 899 SG CYS A 60 10.144 5.789 -16.764 1.00 35.54 S ATOM 0 H CYS A 60 13.162 8.250 -15.040 1.00 41.11 H new ATOM 0 HA CYS A 60 13.049 5.509 -15.526 1.00 65.12 H new ATOM 0 HB2 CYS A 60 11.709 7.341 -17.601 1.00 13.01 H new ATOM 0 HB3 CYS A 60 12.189 5.689 -17.934 1.00 13.01 H new