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 Set 1.1: A 18 SER OG : rot -170:sc= 0.0904 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 175:sc= 0.145 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00505 USER MOD Single : A 20 THR OG1 : rot 10:sc= -0.577 USER MOD Single : A 21 LYS NZ :NH3+ -158:sc= -0.116 (180deg=-0.69) USER MOD Single : A 24 GLN : amide:sc= -0.0661 K(o=-0.066,f=-1.2!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 150:sc= -0.832 USER MOD Single : A 29 ASN : amide:sc= -8.79! C(o=-8.8!,f=-3.3!) USER MOD Single : A 30 SER OG : rot -95:sc= 1.21 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= -0.0894 K(o=-0.089,f=-3.4!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00532 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= -1.38! K(o=-1.4!,f=-0.34) USER MOD Single : A 46 ASN : amide:sc= 0.0158 X(o=0.016,f=-0.4) USER MOD Single : A 48 ASN : amide:sc= 0.275 K(o=0.27,f=-2.3) USER MOD Single : A 49 ASN : amide:sc= -1.88! C(o=-1.9!,f=-6.9!) 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= -0.014 X(o=-0.014,f=-0.11) USER MOD Single : A 58 GLN : amide:sc= -0.0525 X(o=-0.052,f=-0.15) USER MOD Single : A 59 THR OG1 : rot 106:sc= 0.886 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 9 4.660 10.247 -19.037 1.00 62.25 N ATOM 135 CA TYR A 9 5.265 11.485 -19.323 1.00 2.51 C ATOM 136 C TYR A 9 6.641 11.249 -19.851 1.00 15.41 C ATOM 137 O TYR A 9 7.073 11.939 -20.744 1.00 1.21 O ATOM 138 CB TYR A 9 5.290 12.295 -18.040 1.00 44.13 C ATOM 139 CG TYR A 9 3.908 12.684 -17.590 1.00 62.10 C ATOM 140 CD1 TYR A 9 2.922 12.911 -18.535 1.00 21.43 C ATOM 141 CD2 TYR A 9 3.580 12.816 -16.249 1.00 44.21 C ATOM 142 CE1 TYR A 9 1.644 13.264 -18.168 1.00 72.43 C ATOM 143 CE2 TYR A 9 2.301 13.170 -15.865 1.00 44.44 C ATOM 144 CZ TYR A 9 1.335 13.395 -16.832 1.00 41.30 C ATOM 145 OH TYR A 9 0.052 13.743 -16.459 1.00 21.30 O ATOM 0 HA TYR A 9 4.710 12.036 -20.082 1.00 2.51 H new ATOM 0 HB2 TYR A 9 5.777 11.716 -17.255 1.00 44.13 H new ATOM 0 HB3 TYR A 9 5.888 13.194 -18.191 1.00 44.13 H new ATOM 0 HD1 TYR A 9 3.161 12.809 -19.583 1.00 21.43 H new ATOM 0 HD2 TYR A 9 4.334 12.640 -15.496 1.00 44.21 H new ATOM 0 HE1 TYR A 9 0.889 13.437 -18.921 1.00 72.43 H new ATOM 0 HE2 TYR A 9 2.056 13.271 -14.818 1.00 44.44 H new ATOM 0 HH TYR A 9 -0.002 13.793 -15.482 1.00 21.30 H new ATOM 155 N CYS A 10 7.311 10.196 -19.283 1.00 71.51 N ATOM 156 CA CYS A 10 8.624 9.780 -19.731 1.00 12.24 C ATOM 157 C CYS A 10 8.643 9.680 -21.229 1.00 3.34 C ATOM 158 O CYS A 10 9.519 10.174 -21.882 1.00 22.25 O ATOM 159 CB CYS A 10 8.940 8.355 -19.271 1.00 72.33 C ATOM 160 SG CYS A 10 9.123 8.108 -17.507 1.00 12.05 S ATOM 0 H CYS A 10 6.938 9.638 -18.515 1.00 71.51 H new ATOM 0 HA CYS A 10 9.330 10.509 -19.333 1.00 12.24 H new ATOM 0 HB2 CYS A 10 8.147 7.698 -19.627 1.00 72.33 H new ATOM 0 HB3 CYS A 10 9.861 8.036 -19.758 1.00 72.33 H new ATOM 165 N ASN A 11 7.601 9.122 -21.775 1.00 4.34 N ATOM 166 CA ASN A 11 7.617 8.756 -23.189 1.00 71.34 C ATOM 167 C ASN A 11 7.019 9.827 -24.095 1.00 11.31 C ATOM 168 O ASN A 11 6.881 9.620 -25.310 1.00 11.24 O ATOM 169 CB ASN A 11 6.975 7.437 -23.433 1.00 13.33 C ATOM 170 CG ASN A 11 7.573 6.314 -22.578 1.00 14.21 C ATOM 171 OD1 ASN A 11 7.126 6.060 -21.457 1.00 13.31 O ATOM 172 ND2 ASN A 11 8.572 5.638 -23.091 1.00 30.32 N ATOM 0 H ASN A 11 6.734 8.907 -21.283 1.00 4.34 H new ATOM 0 HA ASN A 11 8.671 8.673 -23.454 1.00 71.34 H new ATOM 0 HB2 ASN A 11 5.908 7.515 -23.226 1.00 13.33 H new ATOM 0 HB3 ASN A 11 7.078 7.178 -24.487 1.00 13.33 H new ATOM 0 HD21 ASN A 11 9.000 4.880 -22.560 1.00 30.32 H new ATOM 0 HD22 ASN A 11 8.921 5.870 -24.021 1.00 30.32 H new ATOM 179 N LEU A 12 6.620 10.933 -23.526 1.00 71.43 N ATOM 180 CA LEU A 12 5.926 11.984 -24.273 1.00 13.13 C ATOM 181 C LEU A 12 6.897 13.004 -24.886 1.00 44.22 C ATOM 182 O LEU A 12 7.881 13.375 -24.280 1.00 21.31 O ATOM 183 CB LEU A 12 4.923 12.715 -23.373 1.00 2.03 C ATOM 184 CG LEU A 12 3.744 11.892 -22.855 1.00 25.45 C ATOM 185 CD1 LEU A 12 2.815 12.767 -22.040 1.00 2.02 C ATOM 186 CD2 LEU A 12 2.986 11.240 -24.003 1.00 53.23 C ATOM 0 H LEU A 12 6.759 11.144 -22.538 1.00 71.43 H new ATOM 0 HA LEU A 12 5.398 11.490 -25.088 1.00 13.13 H new ATOM 0 HB2 LEU A 12 5.463 13.114 -22.515 1.00 2.03 H new ATOM 0 HB3 LEU A 12 4.527 13.567 -23.925 1.00 2.03 H new ATOM 0 HG LEU A 12 4.135 11.100 -22.216 1.00 25.45 H new ATOM 0 HD11 LEU A 12 1.979 12.170 -21.676 1.00 2.02 H new ATOM 0 HD12 LEU A 12 3.359 13.184 -21.193 1.00 2.02 H new ATOM 0 HD13 LEU A 12 2.438 13.577 -22.664 1.00 2.02 H new ATOM 0 HD21 LEU A 12 2.152 10.661 -23.606 1.00 53.23 H new ATOM 0 HD22 LEU A 12 2.606 12.011 -24.672 1.00 53.23 H new ATOM 0 HD23 LEU A 12 3.657 10.580 -24.554 1.00 53.23 H new ATOM 198 N PRO A 13 6.625 13.448 -26.119 1.00 34.40 N ATOM 199 CA PRO A 13 7.418 14.485 -26.787 1.00 21.42 C ATOM 200 C PRO A 13 7.248 15.847 -26.107 1.00 34.40 C ATOM 201 O PRO A 13 6.160 16.173 -25.577 1.00 73.03 O ATOM 202 CB PRO A 13 6.826 14.537 -28.207 1.00 20.10 C ATOM 203 CG PRO A 13 6.041 13.287 -28.348 1.00 51.43 C ATOM 204 CD PRO A 13 5.549 12.963 -26.975 1.00 44.51 C ATOM 0 HA PRO A 13 8.485 14.263 -26.763 1.00 21.42 H new ATOM 0 HB2 PRO A 13 6.194 15.415 -28.338 1.00 20.10 H new ATOM 0 HB3 PRO A 13 7.612 14.595 -28.959 1.00 20.10 H new ATOM 0 HG2 PRO A 13 5.210 13.422 -29.040 1.00 51.43 H new ATOM 0 HG3 PRO A 13 6.657 12.480 -28.744 1.00 51.43 H new ATOM 0 HD2 PRO A 13 4.604 13.461 -26.757 1.00 44.51 H new ATOM 0 HD3 PRO A 13 5.383 11.893 -26.848 1.00 44.51 H new ATOM 212 N ALA A 14 8.324 16.624 -26.123 1.00 41.40 N ATOM 213 CA ALA A 14 8.343 17.933 -25.515 1.00 3.33 C ATOM 214 C ALA A 14 7.455 18.895 -26.303 1.00 12.21 C ATOM 215 O ALA A 14 7.381 18.787 -27.531 1.00 63.20 O ATOM 216 CB ALA A 14 9.759 18.447 -25.456 1.00 62.11 C ATOM 0 H ALA A 14 9.206 16.357 -26.561 1.00 41.40 H new ATOM 0 HA ALA A 14 7.953 17.861 -24.500 1.00 3.33 H new ATOM 0 HB1 ALA A 14 9.768 19.435 -24.996 1.00 62.11 H new ATOM 0 HB2 ALA A 14 10.369 17.765 -24.863 1.00 62.11 H new ATOM 0 HB3 ALA A 14 10.165 18.513 -26.466 1.00 62.11 H new ATOM 222 N ASP A 15 6.852 19.856 -25.639 1.00 11.22 N ATOM 223 CA ASP A 15 6.151 20.937 -26.309 1.00 62.13 C ATOM 224 C ASP A 15 6.601 22.255 -25.760 1.00 53.55 C ATOM 225 O ASP A 15 6.488 22.527 -24.570 1.00 74.22 O ATOM 226 CB ASP A 15 4.633 20.817 -26.331 1.00 62.33 C ATOM 227 CG ASP A 15 4.111 19.674 -27.175 1.00 1.51 C ATOM 228 OD1 ASP A 15 4.199 19.766 -28.421 1.00 61.10 O ATOM 229 OD2 ASP A 15 3.537 18.716 -26.631 1.00 63.41 O ATOM 0 H ASP A 15 6.832 19.913 -24.621 1.00 11.22 H new ATOM 0 HA ASP A 15 6.427 20.863 -27.361 1.00 62.13 H new ATOM 0 HB2 ASP A 15 4.275 20.692 -25.309 1.00 62.33 H new ATOM 0 HB3 ASP A 15 4.212 21.751 -26.704 1.00 62.33 H new ATOM 234 N SER A 16 7.188 23.032 -26.610 1.00 52.14 N ATOM 235 CA SER A 16 7.852 24.225 -26.214 1.00 22.01 C ATOM 236 C SER A 16 6.908 25.458 -26.016 1.00 34.41 C ATOM 237 O SER A 16 7.073 26.232 -25.073 1.00 32.40 O ATOM 238 CB SER A 16 8.969 24.514 -27.188 1.00 5.32 C ATOM 239 OG SER A 16 8.479 24.570 -28.529 1.00 20.14 O ATOM 0 H SER A 16 7.219 22.851 -27.613 1.00 52.14 H new ATOM 0 HA SER A 16 8.264 24.051 -25.220 1.00 22.01 H new ATOM 0 HB2 SER A 16 9.444 25.461 -26.931 1.00 5.32 H new ATOM 0 HB3 SER A 16 9.734 23.742 -27.109 1.00 5.32 H new ATOM 0 HG SER A 16 9.221 24.760 -29.141 1.00 20.14 H new ATOM 245 N GLY A 17 5.860 25.573 -26.823 1.00 43.22 N ATOM 246 CA GLY A 17 5.026 26.770 -26.772 1.00 2.20 C ATOM 247 C GLY A 17 5.654 27.945 -27.530 1.00 23.24 C ATOM 248 O GLY A 17 6.642 27.831 -28.247 1.00 44.13 O ATOM 0 H GLY A 17 5.571 24.872 -27.505 1.00 43.22 H new ATOM 0 HA2 GLY A 17 4.047 26.547 -27.197 1.00 2.20 H new ATOM 0 HA3 GLY A 17 4.865 27.055 -25.732 1.00 2.20 H new ATOM 252 N SER A 18 4.979 29.073 -27.312 1.00 12.44 N ATOM 253 CA SER A 18 5.311 30.279 -28.126 1.00 2.03 C ATOM 254 C SER A 18 6.363 31.131 -27.406 1.00 11.12 C ATOM 255 O SER A 18 6.791 32.208 -27.834 1.00 31.43 O ATOM 256 CB SER A 18 4.037 31.050 -28.474 1.00 22.21 C ATOM 257 OG SER A 18 3.286 31.355 -27.290 1.00 53.32 O ATOM 0 H SER A 18 4.237 29.194 -26.623 1.00 12.44 H new ATOM 0 HA SER A 18 5.756 29.976 -29.074 1.00 2.03 H new ATOM 0 HB2 SER A 18 4.296 31.973 -28.994 1.00 22.21 H new ATOM 0 HB3 SER A 18 3.425 30.460 -29.156 1.00 22.21 H new ATOM 0 HG SER A 18 2.406 31.705 -27.542 1.00 53.32 H new ATOM 263 N GLY A 19 6.730 30.539 -26.344 1.00 13.13 N ATOM 264 CA GLY A 19 7.883 31.014 -25.687 1.00 23.14 C ATOM 265 C GLY A 19 7.657 32.113 -24.725 1.00 72.20 C ATOM 266 O GLY A 19 6.922 33.073 -24.976 1.00 24.54 O ATOM 0 H GLY A 19 6.264 29.740 -25.914 1.00 13.13 H new ATOM 0 HA2 GLY A 19 8.349 30.182 -25.159 1.00 23.14 H new ATOM 0 HA3 GLY A 19 8.595 31.353 -26.439 1.00 23.14 H new ATOM 270 N THR A 20 8.293 31.961 -23.646 1.00 61.14 N ATOM 271 CA THR A 20 8.370 32.854 -22.580 1.00 2.55 C ATOM 272 C THR A 20 9.678 32.604 -21.838 1.00 5.44 C ATOM 273 O THR A 20 10.508 33.510 -21.696 1.00 33.41 O ATOM 274 CB THR A 20 7.072 32.772 -21.699 1.00 23.00 C ATOM 275 OG1 THR A 20 5.837 33.239 -22.217 1.00 51.24 O ATOM 276 CG2 THR A 20 6.859 31.439 -20.971 1.00 55.24 C ATOM 0 H THR A 20 8.832 31.114 -23.468 1.00 61.14 H new ATOM 0 HA THR A 20 8.398 33.889 -22.921 1.00 2.55 H new ATOM 0 HB THR A 20 7.362 33.543 -20.985 1.00 23.00 H new ATOM 0 HG1 THR A 20 5.935 33.433 -23.173 1.00 51.24 H new ATOM 0 HG21 THR A 20 5.937 31.484 -20.391 1.00 55.24 H new ATOM 0 HG22 THR A 20 6.789 30.633 -21.701 1.00 55.24 H new ATOM 0 HG23 THR A 20 7.699 31.251 -20.303 1.00 55.24 H new ATOM 284 N LYS A 21 9.873 31.407 -21.423 1.00 62.22 N ATOM 285 CA LYS A 21 11.134 31.040 -20.848 1.00 40.00 C ATOM 286 C LYS A 21 11.994 30.413 -21.945 1.00 20.44 C ATOM 287 O LYS A 21 11.518 29.614 -22.712 1.00 2.15 O ATOM 288 CB LYS A 21 10.916 30.060 -19.702 1.00 75.53 C ATOM 289 CG LYS A 21 10.058 30.652 -18.612 1.00 11.22 C ATOM 290 CD LYS A 21 9.892 29.736 -17.436 1.00 1.20 C ATOM 291 CE LYS A 21 9.130 30.439 -16.334 1.00 55.21 C ATOM 292 NZ LYS A 21 9.820 31.678 -15.887 1.00 62.20 N ATOM 0 H LYS A 21 9.182 30.658 -21.466 1.00 62.22 H new ATOM 0 HA LYS A 21 11.640 31.917 -20.445 1.00 40.00 H new ATOM 0 HB2 LYS A 21 10.445 29.154 -20.083 1.00 75.53 H new ATOM 0 HB3 LYS A 21 11.880 29.767 -19.286 1.00 75.53 H new ATOM 0 HG2 LYS A 21 10.502 31.589 -18.276 1.00 11.22 H new ATOM 0 HG3 LYS A 21 9.076 30.893 -19.020 1.00 11.22 H new ATOM 0 HD2 LYS A 21 9.359 28.835 -17.739 1.00 1.20 H new ATOM 0 HD3 LYS A 21 10.869 29.421 -17.070 1.00 1.20 H new ATOM 0 HE2 LYS A 21 8.129 30.688 -16.686 1.00 55.21 H new ATOM 0 HE3 LYS A 21 9.011 29.764 -15.487 1.00 55.21 H new ATOM 0 HZ1 LYS A 21 9.504 31.925 -14.928 1.00 62.20 H new ATOM 0 HZ2 LYS A 21 10.848 31.521 -15.883 1.00 62.20 H new ATOM 0 HZ3 LYS A 21 9.592 32.457 -16.538 1.00 62.20 H new ATOM 306 N PRO A 22 13.210 30.861 -22.125 1.00 50.13 N ATOM 307 CA PRO A 22 14.129 30.269 -23.072 1.00 60.34 C ATOM 308 C PRO A 22 15.175 29.444 -22.327 1.00 12.21 C ATOM 309 O PRO A 22 16.273 29.938 -22.032 1.00 2.24 O ATOM 310 CB PRO A 22 14.774 31.522 -23.688 1.00 62.54 C ATOM 311 CG PRO A 22 14.574 32.631 -22.665 1.00 34.22 C ATOM 312 CD PRO A 22 13.804 32.038 -21.509 1.00 40.14 C ATOM 0 HA PRO A 22 13.669 29.600 -23.799 1.00 60.34 H new ATOM 0 HB2 PRO A 22 15.833 31.360 -23.888 1.00 62.54 H new ATOM 0 HB3 PRO A 22 14.306 31.777 -24.639 1.00 62.54 H new ATOM 0 HG2 PRO A 22 15.534 33.021 -22.328 1.00 34.22 H new ATOM 0 HG3 PRO A 22 14.027 33.465 -23.104 1.00 34.22 H new ATOM 0 HD2 PRO A 22 14.454 31.779 -20.674 1.00 40.14 H new ATOM 0 HD3 PRO A 22 13.049 32.724 -21.125 1.00 40.14 H new ATOM 320 N GLU A 23 14.895 28.193 -22.024 1.00 43.42 N ATOM 321 CA GLU A 23 15.762 27.436 -21.156 1.00 50.24 C ATOM 322 C GLU A 23 16.060 26.075 -21.761 1.00 72.01 C ATOM 323 O GLU A 23 15.351 25.613 -22.672 1.00 22.32 O ATOM 324 CB GLU A 23 15.068 27.211 -19.812 1.00 54.31 C ATOM 325 CG GLU A 23 14.602 28.467 -19.109 1.00 44.43 C ATOM 326 CD GLU A 23 14.070 28.167 -17.746 1.00 61.12 C ATOM 327 OE1 GLU A 23 12.869 27.852 -17.596 1.00 61.12 O ATOM 328 OE2 GLU A 23 14.860 28.213 -16.782 1.00 64.10 O ATOM 0 H GLU A 23 14.079 27.685 -22.365 1.00 43.42 H new ATOM 0 HA GLU A 23 16.689 27.995 -21.025 1.00 50.24 H new ATOM 0 HB2 GLU A 23 14.207 26.562 -19.970 1.00 54.31 H new ATOM 0 HB3 GLU A 23 15.753 26.678 -19.153 1.00 54.31 H new ATOM 0 HG2 GLU A 23 15.431 29.170 -19.030 1.00 44.43 H new ATOM 0 HG3 GLU A 23 13.828 28.952 -19.704 1.00 44.43 H new ATOM 335 N GLN A 24 17.086 25.441 -21.237 1.00 72.22 N ATOM 336 CA GLN A 24 17.319 24.049 -21.465 1.00 12.21 C ATOM 337 C GLN A 24 16.577 23.351 -20.431 1.00 22.31 C ATOM 338 O GLN A 24 16.671 23.705 -19.260 1.00 71.45 O ATOM 339 CB GLN A 24 18.782 23.657 -21.480 1.00 10.22 C ATOM 340 CG GLN A 24 19.495 24.215 -22.661 1.00 14.13 C ATOM 341 CD GLN A 24 20.987 24.306 -22.492 1.00 2.34 C ATOM 342 OE1 GLN A 24 21.497 24.508 -21.391 1.00 2.14 O ATOM 343 NE2 GLN A 24 21.701 24.146 -23.562 1.00 33.12 N ATOM 0 H GLN A 24 17.781 25.888 -20.639 1.00 72.22 H new ATOM 0 HA GLN A 24 16.981 23.778 -22.465 1.00 12.21 H new ATOM 0 HB2 GLN A 24 19.261 24.010 -20.567 1.00 10.22 H new ATOM 0 HB3 GLN A 24 18.866 22.570 -21.485 1.00 10.22 H new ATOM 0 HG2 GLN A 24 19.276 23.595 -23.530 1.00 14.13 H new ATOM 0 HG3 GLN A 24 19.103 25.210 -22.872 1.00 14.13 H new ATOM 0 HE21 GLN A 24 21.245 23.980 -24.459 1.00 33.12 H new ATOM 0 HE22 GLN A 24 22.719 24.186 -23.507 1.00 33.12 H new ATOM 352 N ARG A 25 15.883 22.384 -20.806 1.00 52.50 N ATOM 353 CA ARG A 25 15.255 21.493 -19.878 1.00 0.51 C ATOM 354 C ARG A 25 15.540 20.150 -20.338 1.00 64.13 C ATOM 355 O ARG A 25 16.169 20.015 -21.357 1.00 31.00 O ATOM 356 CB ARG A 25 13.797 21.703 -19.787 1.00 53.30 C ATOM 357 CG ARG A 25 13.416 23.058 -19.220 1.00 2.03 C ATOM 358 CD ARG A 25 14.006 23.291 -17.861 1.00 61.02 C ATOM 359 NE ARG A 25 13.584 24.569 -17.292 1.00 74.31 N ATOM 360 CZ ARG A 25 13.753 24.931 -16.023 1.00 12.04 C ATOM 361 NH1 ARG A 25 14.558 24.250 -15.232 1.00 22.22 N ATOM 362 NH2 ARG A 25 13.232 26.044 -15.596 1.00 43.12 N ATOM 0 H ARG A 25 15.712 22.156 -21.785 1.00 52.50 H new ATOM 0 HA ARG A 25 15.645 21.673 -18.876 1.00 0.51 H new ATOM 0 HB2 ARG A 25 13.360 21.597 -20.780 1.00 53.30 H new ATOM 0 HB3 ARG A 25 13.363 20.922 -19.163 1.00 53.30 H new ATOM 0 HG2 ARG A 25 13.752 23.841 -19.899 1.00 2.03 H new ATOM 0 HG3 ARG A 25 12.330 23.132 -19.160 1.00 2.03 H new ATOM 0 HD2 ARG A 25 13.710 22.482 -17.194 1.00 61.02 H new ATOM 0 HD3 ARG A 25 15.094 23.266 -17.929 1.00 61.02 H new ATOM 0 HE ARG A 25 13.125 25.234 -17.915 1.00 74.31 H new ATOM 0 HH11 ARG A 25 15.058 23.437 -15.591 1.00 22.22 H new ATOM 0 HH12 ARG A 25 14.681 24.536 -14.261 1.00 22.22 H new ATOM 0 HH21 ARG A 25 12.697 26.634 -16.233 1.00 43.12 H new ATOM 0 HH22 ARG A 25 13.358 26.326 -14.624 1.00 43.12 H new ATOM 376 N ILE A 26 15.036 19.151 -19.687 1.00 11.25 N ATOM 377 CA ILE A 26 15.525 17.847 -19.976 1.00 13.00 C ATOM 378 C ILE A 26 14.336 16.837 -19.910 1.00 4.34 C ATOM 379 O ILE A 26 13.584 16.856 -18.970 1.00 2.21 O ATOM 380 CB ILE A 26 16.567 17.490 -18.849 1.00 11.42 C ATOM 381 CG1 ILE A 26 17.613 18.586 -18.657 1.00 43.30 C ATOM 382 CG2 ILE A 26 17.336 16.293 -19.273 1.00 20.33 C ATOM 383 CD1 ILE A 26 18.344 18.471 -17.358 1.00 2.44 C ATOM 0 H ILE A 26 14.309 19.210 -18.974 1.00 11.25 H new ATOM 0 HA ILE A 26 15.982 17.802 -20.965 1.00 13.00 H new ATOM 0 HB ILE A 26 15.998 17.345 -17.930 1.00 11.42 H new ATOM 0 HG12 ILE A 26 18.330 18.544 -19.477 1.00 43.30 H new ATOM 0 HG13 ILE A 26 17.126 19.560 -18.709 1.00 43.30 H new ATOM 0 HG21 ILE A 26 18.061 16.035 -18.502 1.00 20.33 H new ATOM 0 HG22 ILE A 26 16.653 15.457 -19.424 1.00 20.33 H new ATOM 0 HG23 ILE A 26 17.859 16.508 -20.205 1.00 20.33 H new ATOM 0 HD11 ILE A 26 19.074 19.277 -17.279 1.00 2.44 H new ATOM 0 HD12 ILE A 26 17.634 18.542 -16.534 1.00 2.44 H new ATOM 0 HD13 ILE A 26 18.858 17.511 -17.313 1.00 2.44 H new ATOM 395 N TYR A 27 14.156 16.010 -20.915 1.00 55.15 N ATOM 396 CA TYR A 27 12.937 15.173 -21.014 1.00 54.43 C ATOM 397 C TYR A 27 13.402 13.783 -21.457 1.00 4.24 C ATOM 398 O TYR A 27 14.490 13.644 -22.050 1.00 44.34 O ATOM 399 CB TYR A 27 11.952 15.779 -22.065 1.00 12.32 C ATOM 400 CG TYR A 27 12.389 15.727 -23.511 1.00 11.04 C ATOM 401 CD1 TYR A 27 13.163 16.725 -24.076 1.00 2.14 C ATOM 402 CD2 TYR A 27 11.981 14.671 -24.323 1.00 23.31 C ATOM 403 CE1 TYR A 27 13.522 16.649 -25.418 1.00 22.51 C ATOM 404 CE2 TYR A 27 12.329 14.604 -25.645 1.00 45.13 C ATOM 405 CZ TYR A 27 13.102 15.587 -26.187 1.00 2.12 C ATOM 406 OH TYR A 27 13.424 15.537 -27.529 1.00 41.33 O ATOM 0 H TYR A 27 14.820 15.885 -21.679 1.00 55.15 H new ATOM 0 HA TYR A 27 12.409 15.125 -20.061 1.00 54.43 H new ATOM 0 HB2 TYR A 27 10.999 15.258 -21.978 1.00 12.32 H new ATOM 0 HB3 TYR A 27 11.771 16.821 -21.801 1.00 12.32 H new ATOM 0 HD1 TYR A 27 13.488 17.562 -23.476 1.00 2.14 H new ATOM 0 HD2 TYR A 27 11.374 13.885 -23.898 1.00 23.31 H new ATOM 0 HE1 TYR A 27 14.131 17.425 -25.857 1.00 22.51 H new ATOM 0 HE2 TYR A 27 11.993 13.778 -26.254 1.00 45.13 H new ATOM 0 HH TYR A 27 13.052 14.721 -27.925 1.00 41.33 H new ATOM 416 N TYR A 28 12.583 12.742 -21.182 1.00 71.21 N ATOM 417 CA TYR A 28 12.931 11.387 -21.542 1.00 24.05 C ATOM 418 C TYR A 28 12.548 11.204 -23.005 1.00 41.44 C ATOM 419 O TYR A 28 11.482 11.602 -23.444 1.00 65.22 O ATOM 420 CB TYR A 28 12.211 10.346 -20.666 1.00 1.55 C ATOM 421 CG TYR A 28 12.566 8.880 -20.953 1.00 11.31 C ATOM 422 CD1 TYR A 28 13.783 8.366 -20.601 1.00 0.55 C ATOM 423 CD2 TYR A 28 11.633 8.009 -21.473 1.00 25.44 C ATOM 424 CE1 TYR A 28 14.067 7.026 -20.734 1.00 25.41 C ATOM 425 CE2 TYR A 28 11.907 6.669 -21.639 1.00 51.54 C ATOM 426 CZ TYR A 28 13.127 6.184 -21.252 1.00 22.24 C ATOM 427 OH TYR A 28 13.394 4.837 -21.339 1.00 1.02 O ATOM 0 H TYR A 28 11.682 12.835 -20.712 1.00 71.21 H new ATOM 0 HA TYR A 28 13.998 11.230 -21.384 1.00 24.05 H new ATOM 0 HB2 TYR A 28 12.437 10.558 -19.621 1.00 1.55 H new ATOM 0 HB3 TYR A 28 11.136 10.472 -20.792 1.00 1.55 H new ATOM 0 HD1 TYR A 28 14.541 9.028 -20.209 1.00 0.55 H new ATOM 0 HD2 TYR A 28 10.662 8.387 -21.758 1.00 25.44 H new ATOM 0 HE1 TYR A 28 15.030 6.643 -20.430 1.00 25.41 H new ATOM 0 HE2 TYR A 28 11.168 6.009 -22.069 1.00 51.54 H new ATOM 0 HH TYR A 28 12.558 4.332 -21.257 1.00 1.02 H new ATOM 437 N ASN A 29 13.443 10.689 -23.698 1.00 24.42 N ATOM 438 CA ASN A 29 13.173 10.408 -25.097 1.00 62.05 C ATOM 439 C ASN A 29 12.317 9.193 -25.196 1.00 23.13 C ATOM 440 O ASN A 29 12.507 8.198 -24.513 1.00 14.43 O ATOM 441 CB ASN A 29 14.434 10.165 -25.857 1.00 21.35 C ATOM 442 CG ASN A 29 15.310 11.367 -25.957 1.00 33.10 C ATOM 443 OD1 ASN A 29 15.296 12.066 -26.948 1.00 12.50 O ATOM 444 ND2 ASN A 29 16.018 11.656 -24.927 1.00 32.04 N ATOM 0 H ASN A 29 14.375 10.438 -23.368 1.00 24.42 H new ATOM 0 HA ASN A 29 12.669 11.275 -25.525 1.00 62.05 H new ATOM 0 HB2 ASN A 29 14.989 9.360 -25.376 1.00 21.35 H new ATOM 0 HB3 ASN A 29 14.183 9.824 -26.861 1.00 21.35 H new ATOM 0 HD21 ASN A 29 16.594 12.498 -24.924 1.00 32.04 H new ATOM 0 HD22 ASN A 29 16.005 11.044 -24.111 1.00 32.04 H new ATOM 451 N SER A 30 11.455 9.276 -26.183 1.00 44.15 N ATOM 452 CA SER A 30 10.337 8.389 -26.453 1.00 53.25 C ATOM 453 C SER A 30 10.959 7.213 -27.233 1.00 63.42 C ATOM 454 O SER A 30 10.916 6.053 -26.823 1.00 50.13 O ATOM 455 CB SER A 30 9.365 9.137 -27.385 1.00 53.22 C ATOM 456 OG SER A 30 9.001 10.397 -26.845 1.00 73.03 O ATOM 0 H SER A 30 11.519 10.023 -26.875 1.00 44.15 H new ATOM 0 HA SER A 30 9.811 8.065 -25.555 1.00 53.25 H new ATOM 0 HB2 SER A 30 9.829 9.278 -28.361 1.00 53.22 H new ATOM 0 HB3 SER A 30 8.471 8.534 -27.541 1.00 53.22 H new ATOM 0 HG SER A 30 8.156 10.312 -26.357 1.00 73.03 H new ATOM 462 N ALA A 31 11.492 7.593 -28.410 1.00 22.31 N ATOM 463 CA ALA A 31 12.275 6.682 -29.260 1.00 3.23 C ATOM 464 C ALA A 31 13.512 6.164 -28.506 1.00 62.50 C ATOM 465 O ALA A 31 13.688 4.979 -28.254 1.00 4.31 O ATOM 466 CB ALA A 31 12.691 7.379 -30.551 1.00 53.30 C ATOM 0 H ALA A 31 11.392 8.533 -28.794 1.00 22.31 H new ATOM 0 HA ALA A 31 11.646 5.829 -29.515 1.00 3.23 H new ATOM 0 HB1 ALA A 31 13.269 6.690 -31.167 1.00 53.30 H new ATOM 0 HB2 ALA A 31 11.802 7.695 -31.097 1.00 53.30 H new ATOM 0 HB3 ALA A 31 13.300 8.251 -30.314 1.00 53.30 H new ATOM 472 N LYS A 32 14.346 7.144 -28.154 1.00 73.51 N ATOM 473 CA LYS A 32 15.785 6.952 -27.833 1.00 52.32 C ATOM 474 C LYS A 32 16.082 6.519 -26.417 1.00 14.02 C ATOM 475 O LYS A 32 17.160 6.048 -26.088 1.00 52.41 O ATOM 476 CB LYS A 32 16.511 8.277 -28.003 1.00 21.22 C ATOM 477 CG LYS A 32 16.309 8.944 -29.326 1.00 21.02 C ATOM 478 CD LYS A 32 17.210 10.158 -29.447 1.00 54.22 C ATOM 479 CE LYS A 32 16.969 10.914 -30.742 1.00 10.14 C ATOM 480 NZ LYS A 32 17.854 12.091 -30.877 1.00 52.15 N ATOM 0 H LYS A 32 14.047 8.116 -28.079 1.00 73.51 H new ATOM 0 HA LYS A 32 16.110 6.161 -28.509 1.00 52.32 H new ATOM 0 HB2 LYS A 32 16.183 8.957 -27.217 1.00 21.22 H new ATOM 0 HB3 LYS A 32 17.578 8.111 -27.856 1.00 21.22 H new ATOM 0 HG2 LYS A 32 16.524 8.242 -30.131 1.00 21.02 H new ATOM 0 HG3 LYS A 32 15.267 9.244 -29.434 1.00 21.02 H new ATOM 0 HD2 LYS A 32 17.039 10.823 -28.601 1.00 54.22 H new ATOM 0 HD3 LYS A 32 18.252 9.843 -29.399 1.00 54.22 H new ATOM 0 HE2 LYS A 32 17.128 10.244 -31.587 1.00 10.14 H new ATOM 0 HE3 LYS A 32 15.929 11.237 -30.783 1.00 10.14 H new ATOM 0 HZ1 LYS A 32 17.653 12.575 -31.775 1.00 52.15 H new ATOM 0 HZ2 LYS A 32 17.685 12.745 -30.086 1.00 52.15 H new ATOM 0 HZ3 LYS A 32 18.847 11.782 -30.865 1.00 52.15 H new ATOM 494 N LYS A 33 15.051 6.714 -25.620 1.00 20.54 N ATOM 495 CA LYS A 33 15.011 6.301 -24.224 1.00 24.54 C ATOM 496 C LYS A 33 16.197 6.823 -23.410 1.00 63.13 C ATOM 497 O LYS A 33 16.820 6.116 -22.639 1.00 20.34 O ATOM 498 CB LYS A 33 14.810 4.800 -24.119 1.00 41.24 C ATOM 499 CG LYS A 33 13.500 4.426 -24.760 1.00 70.42 C ATOM 500 CD LYS A 33 12.915 3.180 -24.222 1.00 62.42 C ATOM 501 CE LYS A 33 11.455 3.212 -24.553 1.00 33.42 C ATOM 502 NZ LYS A 33 10.702 2.098 -23.943 1.00 42.32 N ATOM 0 H LYS A 33 14.195 7.175 -25.929 1.00 20.54 H new ATOM 0 HA LYS A 33 14.144 6.772 -23.761 1.00 24.54 H new ATOM 0 HB2 LYS A 33 15.630 4.277 -24.610 1.00 41.24 H new ATOM 0 HB3 LYS A 33 14.817 4.493 -23.073 1.00 41.24 H new ATOM 0 HG2 LYS A 33 12.790 5.241 -24.620 1.00 70.42 H new ATOM 0 HG3 LYS A 33 13.649 4.314 -25.834 1.00 70.42 H new ATOM 0 HD2 LYS A 33 13.393 2.306 -24.664 1.00 62.42 H new ATOM 0 HD3 LYS A 33 13.066 3.115 -23.144 1.00 62.42 H new ATOM 0 HE2 LYS A 33 11.032 4.158 -24.215 1.00 33.42 H new ATOM 0 HE3 LYS A 33 11.332 3.177 -25.636 1.00 33.42 H new ATOM 0 HZ1 LYS A 33 9.699 2.172 -24.206 1.00 42.32 H new ATOM 0 HZ2 LYS A 33 11.084 1.193 -24.284 1.00 42.32 H new ATOM 0 HZ3 LYS A 33 10.792 2.143 -22.908 1.00 42.32 H new ATOM 516 N GLN A 34 16.436 8.087 -23.617 1.00 3.22 N ATOM 517 CA GLN A 34 17.510 8.868 -23.007 1.00 52.31 C ATOM 518 C GLN A 34 16.861 10.086 -22.413 1.00 21.41 C ATOM 519 O GLN A 34 15.670 10.207 -22.454 1.00 62.33 O ATOM 520 CB GLN A 34 18.515 9.302 -24.059 1.00 20.33 C ATOM 521 CG GLN A 34 19.257 8.179 -24.723 1.00 70.54 C ATOM 522 CD GLN A 34 20.162 8.701 -25.792 1.00 45.41 C ATOM 523 OE1 GLN A 34 19.758 8.832 -26.940 1.00 72.40 O ATOM 524 NE2 GLN A 34 21.378 9.013 -25.439 1.00 40.02 N ATOM 0 H GLN A 34 15.862 8.645 -24.249 1.00 3.22 H new ATOM 0 HA GLN A 34 18.039 8.279 -22.258 1.00 52.31 H new ATOM 0 HB2 GLN A 34 17.993 9.876 -24.824 1.00 20.33 H new ATOM 0 HB3 GLN A 34 19.239 9.972 -23.595 1.00 20.33 H new ATOM 0 HG2 GLN A 34 19.840 7.633 -23.981 1.00 70.54 H new ATOM 0 HG3 GLN A 34 18.547 7.472 -25.154 1.00 70.54 H new ATOM 0 HE21 GLN A 34 21.676 8.889 -24.471 1.00 40.02 H new ATOM 0 HE22 GLN A 34 22.031 9.381 -26.130 1.00 40.02 H new ATOM 533 N CYS A 35 17.656 11.030 -21.981 1.00 35.31 N ATOM 534 CA CYS A 35 17.043 12.215 -21.384 1.00 20.24 C ATOM 535 C CYS A 35 17.804 13.292 -22.000 1.00 33.14 C ATOM 536 O CYS A 35 18.984 13.482 -21.673 1.00 40.20 O ATOM 537 CB CYS A 35 17.181 12.259 -19.869 1.00 64.31 C ATOM 538 SG CYS A 35 16.283 13.533 -18.962 1.00 3.10 S ATOM 0 H CYS A 35 18.675 11.020 -22.021 1.00 35.31 H new ATOM 0 HA CYS A 35 15.967 12.259 -21.555 1.00 20.24 H new ATOM 0 HB2 CYS A 35 16.868 11.291 -19.479 1.00 64.31 H new ATOM 0 HB3 CYS A 35 18.240 12.369 -19.635 1.00 64.31 H new ATOM 543 N VAL A 36 17.258 13.946 -22.957 1.00 50.10 N ATOM 544 CA VAL A 36 17.944 14.946 -23.662 1.00 14.33 C ATOM 545 C VAL A 36 17.260 16.228 -23.363 1.00 31.14 C ATOM 546 O VAL A 36 16.157 16.248 -22.819 1.00 65.34 O ATOM 547 CB VAL A 36 17.921 14.715 -25.222 1.00 54.23 C ATOM 548 CG1 VAL A 36 18.442 13.347 -25.616 1.00 52.14 C ATOM 549 CG2 VAL A 36 16.529 14.899 -25.782 1.00 54.03 C ATOM 0 H VAL A 36 16.301 13.793 -23.274 1.00 50.10 H new ATOM 0 HA VAL A 36 18.989 14.941 -23.353 1.00 14.33 H new ATOM 0 HB VAL A 36 18.587 15.466 -25.647 1.00 54.23 H new ATOM 0 HG11 VAL A 36 18.404 13.242 -26.700 1.00 52.14 H new ATOM 0 HG12 VAL A 36 19.472 13.238 -25.277 1.00 52.14 H new ATOM 0 HG13 VAL A 36 17.825 12.576 -25.155 1.00 52.14 H new ATOM 0 HG21 VAL A 36 16.545 14.733 -26.859 1.00 54.03 H new ATOM 0 HG22 VAL A 36 15.852 14.184 -25.315 1.00 54.03 H new ATOM 0 HG23 VAL A 36 16.185 15.913 -25.576 1.00 54.03 H new ATOM 559 N THR A 37 17.915 17.271 -23.666 1.00 73.02 N ATOM 560 CA THR A 37 17.397 18.545 -23.434 1.00 21.14 C ATOM 561 C THR A 37 16.476 19.036 -24.537 1.00 34.42 C ATOM 562 O THR A 37 16.558 18.597 -25.701 1.00 71.01 O ATOM 563 CB THR A 37 18.543 19.562 -23.152 1.00 35.25 C ATOM 564 OG1 THR A 37 19.514 19.517 -24.211 1.00 31.51 O ATOM 565 CG2 THR A 37 19.220 19.255 -21.828 1.00 13.45 C ATOM 0 H THR A 37 18.843 17.261 -24.090 1.00 73.02 H new ATOM 0 HA THR A 37 16.772 18.467 -22.545 1.00 21.14 H new ATOM 0 HB THR A 37 18.108 20.560 -23.100 1.00 35.25 H new ATOM 0 HG1 THR A 37 20.230 20.161 -24.026 1.00 31.51 H new ATOM 0 HG21 THR A 37 20.017 19.977 -21.651 1.00 13.45 H new ATOM 0 HG22 THR A 37 18.488 19.317 -21.022 1.00 13.45 H new ATOM 0 HG23 THR A 37 19.641 18.250 -21.859 1.00 13.45 H new ATOM 573 N PHE A 38 15.616 19.943 -24.151 1.00 54.23 N ATOM 574 CA PHE A 38 14.689 20.495 -25.042 1.00 30.03 C ATOM 575 C PHE A 38 14.562 21.910 -24.736 1.00 14.33 C ATOM 576 O PHE A 38 14.923 22.374 -23.630 1.00 15.10 O ATOM 577 CB PHE A 38 13.301 19.898 -24.963 1.00 11.24 C ATOM 578 CG PHE A 38 12.458 20.129 -23.761 1.00 33.14 C ATOM 579 CD1 PHE A 38 12.657 19.503 -22.556 1.00 23.35 C ATOM 580 CD2 PHE A 38 11.389 20.977 -23.906 1.00 31.11 C ATOM 581 CE1 PHE A 38 11.791 19.735 -21.514 1.00 41.35 C ATOM 582 CE2 PHE A 38 10.531 21.227 -22.899 1.00 50.22 C ATOM 583 CZ PHE A 38 10.723 20.603 -21.683 1.00 3.21 C ATOM 0 H PHE A 38 15.557 20.306 -23.200 1.00 54.23 H new ATOM 0 HA PHE A 38 15.070 20.290 -26.043 1.00 30.03 H new ATOM 0 HB2 PHE A 38 12.742 20.262 -25.825 1.00 11.24 H new ATOM 0 HB3 PHE A 38 13.405 18.820 -25.083 1.00 11.24 H new ATOM 0 HD1 PHE A 38 13.492 18.830 -22.427 1.00 23.35 H new ATOM 0 HD2 PHE A 38 11.231 21.460 -24.859 1.00 31.11 H new ATOM 0 HE1 PHE A 38 11.942 19.242 -20.565 1.00 41.35 H new ATOM 0 HE2 PHE A 38 9.704 21.907 -23.041 1.00 50.22 H new ATOM 0 HZ PHE A 38 10.043 20.790 -20.865 1.00 3.21 H new ATOM 593 N THR A 39 14.113 22.588 -25.693 1.00 54.12 N ATOM 594 CA THR A 39 13.848 23.966 -25.621 1.00 11.05 C ATOM 595 C THR A 39 12.528 24.141 -24.873 1.00 43.32 C ATOM 596 O THR A 39 11.449 23.931 -25.421 1.00 4.23 O ATOM 597 CB THR A 39 13.634 24.468 -27.033 1.00 20.22 C ATOM 598 OG1 THR A 39 14.778 24.102 -27.838 1.00 3.54 O ATOM 599 CG2 THR A 39 13.456 25.977 -27.066 1.00 53.10 C ATOM 0 H THR A 39 13.904 22.184 -26.606 1.00 54.12 H new ATOM 0 HA THR A 39 14.662 24.498 -25.129 1.00 11.05 H new ATOM 0 HB THR A 39 12.725 24.013 -27.428 1.00 20.22 H new ATOM 0 HG1 THR A 39 14.648 24.421 -28.755 1.00 3.54 H new ATOM 0 HG21 THR A 39 13.305 26.303 -28.095 1.00 53.10 H new ATOM 0 HG22 THR A 39 12.589 26.254 -26.466 1.00 53.10 H new ATOM 0 HG23 THR A 39 14.346 26.457 -26.660 1.00 53.10 H new ATOM 607 N TYR A 40 12.637 24.493 -23.635 1.00 12.43 N ATOM 608 CA TYR A 40 11.442 24.654 -22.872 1.00 62.31 C ATOM 609 C TYR A 40 11.047 26.059 -22.868 1.00 23.33 C ATOM 610 O TYR A 40 11.704 26.876 -22.223 1.00 74.10 O ATOM 611 CB TYR A 40 11.609 24.126 -21.454 1.00 44.23 C ATOM 612 CG TYR A 40 10.416 24.281 -20.471 1.00 60.33 C ATOM 613 CD1 TYR A 40 10.300 25.423 -19.679 1.00 21.41 C ATOM 614 CD2 TYR A 40 9.434 23.276 -20.308 1.00 1.23 C ATOM 615 CE1 TYR A 40 9.264 25.572 -18.780 1.00 51.04 C ATOM 616 CE2 TYR A 40 8.400 23.436 -19.411 1.00 32.42 C ATOM 617 CZ TYR A 40 8.318 24.580 -18.654 1.00 4.41 C ATOM 618 OH TYR A 40 7.277 24.730 -17.753 1.00 64.31 O ATOM 0 H TYR A 40 13.512 24.670 -23.141 1.00 12.43 H new ATOM 0 HA TYR A 40 10.652 24.066 -23.339 1.00 62.31 H new ATOM 0 HB2 TYR A 40 11.852 23.065 -21.519 1.00 44.23 H new ATOM 0 HB3 TYR A 40 12.472 24.624 -21.012 1.00 44.23 H new ATOM 0 HD1 TYR A 40 11.037 26.207 -19.771 1.00 21.41 H new ATOM 0 HD2 TYR A 40 9.495 22.371 -20.894 1.00 1.23 H new ATOM 0 HE1 TYR A 40 9.195 26.465 -18.176 1.00 51.04 H new ATOM 0 HE2 TYR A 40 7.654 22.662 -19.303 1.00 32.42 H new ATOM 0 HH TYR A 40 6.697 23.941 -17.789 1.00 64.31 H new ATOM 628 N ASN A 41 10.046 26.384 -23.622 1.00 45.44 N ATOM 629 CA ASN A 41 9.654 27.734 -23.723 1.00 63.14 C ATOM 630 C ASN A 41 8.648 28.063 -22.701 1.00 32.13 C ATOM 631 O ASN A 41 8.393 29.226 -22.423 1.00 51.54 O ATOM 632 CB ASN A 41 9.275 28.166 -25.131 1.00 2.12 C ATOM 633 CG ASN A 41 10.439 28.165 -26.098 1.00 62.55 C ATOM 634 OD1 ASN A 41 10.278 27.883 -27.272 1.00 33.20 O ATOM 635 ND2 ASN A 41 11.609 28.526 -25.624 1.00 32.41 N ATOM 0 H ASN A 41 9.492 25.727 -24.172 1.00 45.44 H new ATOM 0 HA ASN A 41 10.535 28.339 -23.508 1.00 63.14 H new ATOM 0 HB2 ASN A 41 8.498 27.501 -25.509 1.00 2.12 H new ATOM 0 HB3 ASN A 41 8.846 29.167 -25.092 1.00 2.12 H new ATOM 0 HD21 ASN A 41 12.417 28.577 -26.244 1.00 32.41 H new ATOM 0 HD22 ASN A 41 11.710 28.756 -24.635 1.00 32.41 H new ATOM 642 N GLY A 42 8.058 27.041 -22.141 1.00 51.32 N ATOM 643 CA GLY A 42 7.319 27.237 -20.966 1.00 31.44 C ATOM 644 C GLY A 42 5.872 27.512 -21.108 1.00 11.21 C ATOM 645 O GLY A 42 5.278 27.986 -20.142 1.00 45.21 O ATOM 0 H GLY A 42 8.085 26.083 -22.489 1.00 51.32 H new ATOM 0 HA2 GLY A 42 7.433 26.349 -20.344 1.00 31.44 H new ATOM 0 HA3 GLY A 42 7.768 28.068 -20.421 1.00 31.44 H new ATOM 649 N LYS A 43 5.229 27.291 -22.242 1.00 74.11 N ATOM 650 CA LYS A 43 3.833 27.553 -22.412 1.00 35.14 C ATOM 651 C LYS A 43 3.198 26.323 -23.097 1.00 51.54 C ATOM 652 O LYS A 43 3.291 25.185 -22.622 1.00 13.24 O ATOM 653 CB LYS A 43 3.670 28.780 -23.393 1.00 70.10 C ATOM 654 CG LYS A 43 4.421 30.054 -23.070 1.00 52.32 C ATOM 655 CD LYS A 43 3.958 31.223 -23.952 1.00 33.14 C ATOM 656 CE LYS A 43 2.462 31.501 -23.830 1.00 34.43 C ATOM 657 NZ LYS A 43 2.045 32.645 -24.678 1.00 11.13 N ATOM 0 H LYS A 43 5.681 26.918 -23.077 1.00 74.11 H new ATOM 0 HA LYS A 43 3.364 27.759 -21.450 1.00 35.14 H new ATOM 0 HB2 LYS A 43 3.976 28.455 -24.387 1.00 70.10 H new ATOM 0 HB3 LYS A 43 2.609 29.023 -23.450 1.00 70.10 H new ATOM 0 HG2 LYS A 43 4.272 30.308 -22.021 1.00 52.32 H new ATOM 0 HG3 LYS A 43 5.490 29.893 -23.211 1.00 52.32 H new ATOM 0 HD2 LYS A 43 4.513 32.120 -23.678 1.00 33.14 H new ATOM 0 HD3 LYS A 43 4.198 31.004 -24.992 1.00 33.14 H new ATOM 0 HE2 LYS A 43 1.902 30.611 -24.118 1.00 34.43 H new ATOM 0 HE3 LYS A 43 2.215 31.710 -22.789 1.00 34.43 H new ATOM 0 HZ1 LYS A 43 1.011 32.751 -24.635 1.00 11.13 H new ATOM 0 HZ2 LYS A 43 2.497 33.516 -24.333 1.00 11.13 H new ATOM 0 HZ3 LYS A 43 2.334 32.472 -25.662 1.00 11.13 H new ATOM 671 N GLY A 44 2.531 26.682 -24.168 1.00 23.24 N ATOM 672 CA GLY A 44 1.944 25.768 -25.133 1.00 0.44 C ATOM 673 C GLY A 44 2.287 24.289 -25.083 1.00 64.22 C ATOM 674 O GLY A 44 3.406 23.866 -25.387 1.00 32.53 O ATOM 0 H GLY A 44 2.373 27.661 -24.406 1.00 23.24 H new ATOM 0 HA2 GLY A 44 0.861 25.853 -25.043 1.00 0.44 H new ATOM 0 HA3 GLY A 44 2.211 26.129 -26.126 1.00 0.44 H new ATOM 678 N GLY A 45 1.270 23.539 -24.753 1.00 50.03 N ATOM 679 CA GLY A 45 1.324 22.118 -24.843 1.00 20.34 C ATOM 680 C GLY A 45 1.939 21.407 -23.649 1.00 21.14 C ATOM 681 O GLY A 45 1.856 21.857 -22.498 1.00 1.32 O ATOM 0 H GLY A 45 0.380 23.905 -24.414 1.00 50.03 H new ATOM 0 HA2 GLY A 45 0.311 21.742 -24.985 1.00 20.34 H new ATOM 0 HA3 GLY A 45 1.891 21.850 -25.734 1.00 20.34 H new ATOM 685 N ASN A 46 2.552 20.270 -23.994 1.00 52.14 N ATOM 686 CA ASN A 46 3.166 19.429 -22.950 1.00 35.01 C ATOM 687 C ASN A 46 4.316 20.007 -22.176 1.00 24.31 C ATOM 688 O ASN A 46 5.193 20.723 -22.649 1.00 43.32 O ATOM 689 CB ASN A 46 3.649 18.073 -23.504 1.00 64.32 C ATOM 690 CG ASN A 46 2.561 17.151 -23.999 1.00 1.50 C ATOM 691 OD1 ASN A 46 1.426 17.169 -23.507 1.00 12.34 O ATOM 692 ND2 ASN A 46 2.895 16.323 -24.956 1.00 22.33 N ATOM 0 H ASN A 46 2.638 19.917 -24.947 1.00 52.14 H new ATOM 0 HA ASN A 46 2.332 19.333 -22.255 1.00 35.01 H new ATOM 0 HB2 ASN A 46 4.343 18.261 -24.323 1.00 64.32 H new ATOM 0 HB3 ASN A 46 4.209 17.559 -22.723 1.00 64.32 H new ATOM 0 HD21 ASN A 46 2.209 15.663 -25.321 1.00 22.33 H new ATOM 0 HD22 ASN A 46 3.841 16.338 -25.336 1.00 22.33 H new ATOM 699 N GLY A 47 4.245 19.579 -20.948 1.00 35.11 N ATOM 700 CA GLY A 47 5.207 19.939 -19.964 1.00 62.41 C ATOM 701 C GLY A 47 6.045 18.791 -19.551 1.00 15.33 C ATOM 702 O GLY A 47 6.308 18.606 -18.352 1.00 4.44 O ATOM 0 H GLY A 47 3.507 18.964 -20.605 1.00 35.11 H new ATOM 0 HA2 GLY A 47 5.846 20.730 -20.356 1.00 62.41 H new ATOM 0 HA3 GLY A 47 4.696 20.346 -19.091 1.00 62.41 H new ATOM 706 N ASN A 48 6.390 17.949 -20.508 1.00 75.41 N ATOM 707 CA ASN A 48 7.352 16.897 -20.234 1.00 50.52 C ATOM 708 C ASN A 48 8.689 17.566 -20.087 1.00 23.43 C ATOM 709 O ASN A 48 9.398 17.799 -21.053 1.00 31.45 O ATOM 710 CB ASN A 48 7.394 15.800 -21.312 1.00 32.45 C ATOM 711 CG ASN A 48 8.404 14.705 -20.948 1.00 41.55 C ATOM 712 OD1 ASN A 48 8.692 14.483 -19.779 1.00 51.24 O ATOM 713 ND2 ASN A 48 8.899 13.994 -21.918 1.00 41.23 N ATOM 0 H ASN A 48 6.028 17.970 -21.461 1.00 75.41 H new ATOM 0 HA ASN A 48 7.060 16.372 -19.325 1.00 50.52 H new ATOM 0 HB2 ASN A 48 6.403 15.361 -21.427 1.00 32.45 H new ATOM 0 HB3 ASN A 48 7.661 16.240 -22.273 1.00 32.45 H new ATOM 0 HD21 ASN A 48 9.544 13.230 -21.713 1.00 41.23 H new ATOM 0 HD22 ASN A 48 8.643 14.200 -22.884 1.00 41.23 H new ATOM 720 N ASN A 49 8.974 17.905 -18.875 1.00 40.12 N ATOM 721 CA ASN A 49 10.074 18.691 -18.461 1.00 52.21 C ATOM 722 C ASN A 49 10.614 18.160 -17.181 1.00 32.21 C ATOM 723 O ASN A 49 9.900 18.134 -16.169 1.00 34.31 O ATOM 724 CB ASN A 49 9.573 20.122 -18.192 1.00 12.43 C ATOM 725 CG ASN A 49 10.622 21.030 -17.564 1.00 22.45 C ATOM 726 OD1 ASN A 49 11.801 20.868 -17.766 1.00 74.10 O ATOM 727 ND2 ASN A 49 10.183 21.979 -16.766 1.00 63.41 N ATOM 0 H ASN A 49 8.393 17.613 -18.089 1.00 40.12 H new ATOM 0 HA ASN A 49 10.843 18.674 -19.233 1.00 52.21 H new ATOM 0 HB2 ASN A 49 9.239 20.563 -19.131 1.00 12.43 H new ATOM 0 HB3 ASN A 49 8.705 20.076 -17.535 1.00 12.43 H new ATOM 0 HD21 ASN A 49 10.844 22.600 -16.300 1.00 63.41 H new ATOM 0 HD22 ASN A 49 9.181 22.094 -16.613 1.00 63.41 H new ATOM 734 N PHE A 50 11.824 17.715 -17.188 1.00 62.12 N ATOM 735 CA PHE A 50 12.493 17.413 -15.974 1.00 41.25 C ATOM 736 C PHE A 50 13.652 18.394 -15.906 1.00 11.34 C ATOM 737 O PHE A 50 14.357 18.591 -16.877 1.00 31.14 O ATOM 738 CB PHE A 50 12.904 15.873 -15.861 1.00 55.50 C ATOM 739 CG PHE A 50 11.702 14.983 -16.007 1.00 51.24 C ATOM 740 CD1 PHE A 50 10.815 14.824 -14.959 1.00 31.44 C ATOM 741 CD2 PHE A 50 11.444 14.336 -17.202 1.00 1.14 C ATOM 742 CE1 PHE A 50 9.692 14.039 -15.096 1.00 52.01 C ATOM 743 CE2 PHE A 50 10.325 13.544 -17.344 1.00 30.43 C ATOM 744 CZ PHE A 50 9.444 13.398 -16.288 1.00 62.30 C ATOM 0 H PHE A 50 12.373 17.552 -18.032 1.00 62.12 H new ATOM 0 HA PHE A 50 11.849 17.537 -15.104 1.00 41.25 H new ATOM 0 HB2 PHE A 50 13.636 15.631 -16.631 1.00 55.50 H new ATOM 0 HB3 PHE A 50 13.382 15.690 -14.899 1.00 55.50 H new ATOM 0 HD1 PHE A 50 11.005 15.322 -14.020 1.00 31.44 H new ATOM 0 HD2 PHE A 50 12.126 14.453 -18.031 1.00 1.14 H new ATOM 0 HE1 PHE A 50 9.007 13.927 -14.269 1.00 52.01 H new ATOM 0 HE2 PHE A 50 10.136 13.038 -18.279 1.00 30.43 H new ATOM 0 HZ PHE A 50 8.564 12.782 -16.399 1.00 62.30 H new ATOM 754 N SER A 51 13.820 19.047 -14.805 1.00 23.45 N ATOM 755 CA SER A 51 14.768 20.142 -14.671 1.00 74.13 C ATOM 756 C SER A 51 15.943 19.727 -13.860 1.00 4.00 C ATOM 757 O SER A 51 16.833 20.526 -13.569 1.00 45.51 O ATOM 758 CB SER A 51 14.061 21.354 -14.057 1.00 34.40 C ATOM 759 OG SER A 51 13.418 21.046 -12.808 1.00 53.41 O ATOM 0 H SER A 51 13.302 18.844 -13.950 1.00 23.45 H new ATOM 0 HA SER A 51 15.141 20.420 -15.657 1.00 74.13 H new ATOM 0 HB2 SER A 51 14.787 22.152 -13.901 1.00 34.40 H new ATOM 0 HB3 SER A 51 13.319 21.731 -14.760 1.00 34.40 H new ATOM 0 HG SER A 51 12.983 21.851 -12.457 1.00 53.41 H new ATOM 765 N ARG A 52 15.955 18.511 -13.498 1.00 50.43 N ATOM 766 CA ARG A 52 17.021 17.916 -12.805 1.00 63.30 C ATOM 767 C ARG A 52 17.199 16.596 -13.439 1.00 45.22 C ATOM 768 O ARG A 52 16.217 15.871 -13.674 1.00 60.22 O ATOM 769 CB ARG A 52 16.710 17.778 -11.308 1.00 42.53 C ATOM 770 CG ARG A 52 16.612 19.107 -10.545 1.00 73.55 C ATOM 771 CD ARG A 52 16.525 18.912 -9.037 1.00 74.42 C ATOM 772 NE ARG A 52 15.377 18.099 -8.652 1.00 34.11 N ATOM 773 CZ ARG A 52 14.943 17.887 -7.408 1.00 0.23 C ATOM 774 NH1 ARG A 52 15.386 18.630 -6.393 1.00 34.24 N ATOM 775 NH2 ARG A 52 14.011 16.968 -7.201 1.00 5.01 N ATOM 0 H ARG A 52 15.184 17.870 -13.685 1.00 50.43 H new ATOM 0 HA ARG A 52 17.927 18.520 -12.861 1.00 63.30 H new ATOM 0 HB2 ARG A 52 15.769 17.240 -11.195 1.00 42.53 H new ATOM 0 HB3 ARG A 52 17.484 17.166 -10.845 1.00 42.53 H new ATOM 0 HG2 ARG A 52 17.482 19.721 -10.779 1.00 73.55 H new ATOM 0 HG3 ARG A 52 15.734 19.655 -10.888 1.00 73.55 H new ATOM 0 HD2 ARG A 52 17.440 18.438 -8.680 1.00 74.42 H new ATOM 0 HD3 ARG A 52 16.459 19.885 -8.550 1.00 74.42 H new ATOM 0 HE ARG A 52 14.856 17.650 -9.405 1.00 34.11 H new ATOM 0 HH11 ARG A 52 16.065 19.372 -6.562 1.00 34.24 H new ATOM 0 HH12 ARG A 52 15.045 18.457 -5.447 1.00 34.24 H new ATOM 0 HH21 ARG A 52 13.637 16.435 -7.986 1.00 5.01 H new ATOM 0 HH22 ARG A 52 13.668 16.793 -6.256 1.00 5.01 H new ATOM 789 N THR A 53 18.434 16.305 -13.764 1.00 52.33 N ATOM 790 CA THR A 53 18.824 15.087 -14.409 1.00 42.23 C ATOM 791 C THR A 53 18.444 13.932 -13.493 1.00 65.52 C ATOM 792 O THR A 53 18.018 12.877 -13.941 1.00 15.31 O ATOM 793 CB THR A 53 20.351 15.099 -14.638 1.00 55.24 C ATOM 794 OG1 THR A 53 20.719 16.297 -15.351 1.00 33.24 O ATOM 795 CG2 THR A 53 20.788 13.892 -15.451 1.00 31.53 C ATOM 0 H THR A 53 19.216 16.933 -13.579 1.00 52.33 H new ATOM 0 HA THR A 53 18.326 14.981 -15.373 1.00 42.23 H new ATOM 0 HB THR A 53 20.843 15.067 -13.666 1.00 55.24 H new ATOM 0 HG1 THR A 53 21.688 16.307 -15.496 1.00 33.24 H new ATOM 0 HG21 THR A 53 21.868 13.924 -15.598 1.00 31.53 H new ATOM 0 HG22 THR A 53 20.521 12.979 -14.919 1.00 31.53 H new ATOM 0 HG23 THR A 53 20.289 13.906 -16.420 1.00 31.53 H new ATOM 803 N ASN A 54 18.544 14.197 -12.190 1.00 4.12 N ATOM 804 CA ASN A 54 18.164 13.255 -11.150 1.00 71.40 C ATOM 805 C ASN A 54 16.686 12.940 -11.261 1.00 12.54 C ATOM 806 O ASN A 54 16.278 11.795 -11.097 1.00 25.35 O ATOM 807 CB ASN A 54 18.434 13.828 -9.748 1.00 30.34 C ATOM 808 CG ASN A 54 19.862 14.270 -9.531 1.00 51.31 C ATOM 809 OD1 ASN A 54 20.199 15.412 -9.791 1.00 4.23 O ATOM 810 ND2 ASN A 54 20.699 13.399 -9.035 1.00 34.02 N ATOM 0 H ASN A 54 18.896 15.083 -11.828 1.00 4.12 H new ATOM 0 HA ASN A 54 18.761 12.354 -11.286 1.00 71.40 H new ATOM 0 HB2 ASN A 54 17.772 14.677 -9.580 1.00 30.34 H new ATOM 0 HB3 ASN A 54 18.180 13.074 -9.003 1.00 30.34 H new ATOM 0 HD21 ASN A 54 21.666 13.667 -8.854 1.00 34.02 H new ATOM 0 HD22 ASN A 54 20.385 12.451 -8.828 1.00 34.02 H new ATOM 817 N ASP A 55 15.884 13.947 -11.630 1.00 12.35 N ATOM 818 CA ASP A 55 14.440 13.795 -11.719 1.00 62.51 C ATOM 819 C ASP A 55 14.032 12.978 -12.896 1.00 25.44 C ATOM 820 O ASP A 55 13.105 12.171 -12.794 1.00 23.42 O ATOM 821 CB ASP A 55 13.670 15.128 -11.756 1.00 40.24 C ATOM 822 CG ASP A 55 13.698 15.950 -10.510 1.00 54.21 C ATOM 823 OD1 ASP A 55 13.493 15.416 -9.408 1.00 4.43 O ATOM 824 OD2 ASP A 55 13.873 17.169 -10.607 1.00 31.12 O ATOM 0 H ASP A 55 16.221 14.879 -11.872 1.00 12.35 H new ATOM 0 HA ASP A 55 14.172 13.279 -10.797 1.00 62.51 H new ATOM 0 HB2 ASP A 55 14.071 15.731 -12.571 1.00 40.24 H new ATOM 0 HB3 ASP A 55 12.629 14.914 -12.000 1.00 40.24 H new ATOM 829 N CYS A 56 14.673 13.175 -14.045 1.00 53.25 N ATOM 830 CA CYS A 56 14.331 12.328 -15.153 1.00 34.12 C ATOM 831 C CYS A 56 14.779 10.942 -14.917 1.00 1.30 C ATOM 832 O CYS A 56 14.153 10.040 -15.344 1.00 60.14 O ATOM 833 CB CYS A 56 14.761 12.822 -16.541 1.00 42.20 C ATOM 834 SG CYS A 56 16.494 13.129 -16.951 1.00 74.25 S ATOM 0 H CYS A 56 15.392 13.877 -14.218 1.00 53.25 H new ATOM 0 HA CYS A 56 13.242 12.365 -15.189 1.00 34.12 H new ATOM 0 HB2 CYS A 56 14.391 12.094 -17.263 1.00 42.20 H new ATOM 0 HB3 CYS A 56 14.225 13.753 -16.724 1.00 42.20 H new ATOM 839 N ARG A 57 15.852 10.777 -14.222 1.00 41.30 N ATOM 840 CA ARG A 57 16.273 9.421 -13.856 1.00 12.51 C ATOM 841 C ARG A 57 15.238 8.692 -12.984 1.00 73.21 C ATOM 842 O ARG A 57 15.043 7.483 -13.131 1.00 50.04 O ATOM 843 CB ARG A 57 17.645 9.398 -13.220 1.00 52.25 C ATOM 844 CG ARG A 57 18.693 9.974 -14.116 1.00 71.42 C ATOM 845 CD ARG A 57 20.074 9.559 -13.671 1.00 31.32 C ATOM 846 NE ARG A 57 21.114 10.001 -14.597 1.00 44.53 N ATOM 847 CZ ARG A 57 22.431 9.799 -14.417 1.00 52.12 C ATOM 848 NH1 ARG A 57 22.874 9.219 -13.306 1.00 32.12 N ATOM 849 NH2 ARG A 57 23.299 10.177 -15.358 1.00 22.23 N ATOM 0 H ARG A 57 16.457 11.528 -13.891 1.00 41.30 H new ATOM 0 HA ARG A 57 16.341 8.868 -14.793 1.00 12.51 H new ATOM 0 HB2 ARG A 57 17.620 9.959 -12.286 1.00 52.25 H new ATOM 0 HB3 ARG A 57 17.909 8.371 -12.968 1.00 52.25 H new ATOM 0 HG2 ARG A 57 18.523 9.643 -15.140 1.00 71.42 H new ATOM 0 HG3 ARG A 57 18.619 11.061 -14.116 1.00 71.42 H new ATOM 0 HD2 ARG A 57 20.273 9.971 -12.682 1.00 31.32 H new ATOM 0 HD3 ARG A 57 20.112 8.474 -13.578 1.00 31.32 H new ATOM 0 HE ARG A 57 20.821 10.497 -15.438 1.00 44.53 H new ATOM 0 HH11 ARG A 57 22.214 8.925 -12.586 1.00 32.12 H new ATOM 0 HH12 ARG A 57 23.874 9.068 -13.174 1.00 32.12 H new ATOM 0 HH21 ARG A 57 22.963 10.619 -16.214 1.00 22.23 H new ATOM 0 HH22 ARG A 57 24.298 10.024 -15.221 1.00 22.23 H new ATOM 863 N GLN A 58 14.624 9.429 -12.064 1.00 40.22 N ATOM 864 CA GLN A 58 13.515 8.925 -11.198 1.00 54.43 C ATOM 865 C GLN A 58 12.470 8.236 -12.017 1.00 73.51 C ATOM 866 O GLN A 58 12.170 7.048 -11.850 1.00 33.54 O ATOM 867 CB GLN A 58 12.874 10.086 -10.460 1.00 21.10 C ATOM 868 CG GLN A 58 13.825 10.825 -9.528 1.00 33.23 C ATOM 869 CD GLN A 58 14.284 9.957 -8.378 1.00 33.34 C ATOM 870 OE1 GLN A 58 15.269 9.235 -8.481 1.00 30.52 O ATOM 871 NE2 GLN A 58 13.612 10.049 -7.260 1.00 32.12 N ATOM 0 H GLN A 58 14.869 10.402 -11.882 1.00 40.22 H new ATOM 0 HA GLN A 58 13.935 8.213 -10.487 1.00 54.43 H new ATOM 0 HB2 GLN A 58 12.474 10.791 -11.189 1.00 21.10 H new ATOM 0 HB3 GLN A 58 12.029 9.714 -9.881 1.00 21.10 H new ATOM 0 HG2 GLN A 58 14.693 11.166 -10.093 1.00 33.23 H new ATOM 0 HG3 GLN A 58 13.330 11.713 -9.136 1.00 33.23 H new ATOM 0 HE21 GLN A 58 12.796 10.658 -7.204 1.00 32.12 H new ATOM 0 HE22 GLN A 58 13.904 9.511 -6.444 1.00 32.12 H new ATOM 880 N THR A 59 11.912 9.032 -12.800 1.00 34.52 N ATOM 881 CA THR A 59 11.091 8.756 -13.869 1.00 12.43 C ATOM 882 C THR A 59 11.685 7.623 -14.687 1.00 32.01 C ATOM 883 O THR A 59 11.316 6.450 -14.533 1.00 42.22 O ATOM 884 CB THR A 59 11.223 10.159 -14.564 1.00 1.05 C ATOM 885 OG1 THR A 59 10.641 11.202 -13.788 1.00 45.00 O ATOM 886 CG2 THR A 59 10.954 10.297 -16.022 1.00 40.42 C ATOM 0 H THR A 59 12.040 10.038 -12.688 1.00 34.52 H new ATOM 0 HA THR A 59 10.071 8.425 -13.675 1.00 12.43 H new ATOM 0 HB THR A 59 12.307 10.268 -14.577 1.00 1.05 H new ATOM 0 HG1 THR A 59 11.350 11.739 -13.377 1.00 45.00 H new ATOM 0 HG21 THR A 59 11.095 11.336 -16.321 1.00 40.42 H new ATOM 0 HG22 THR A 59 11.641 9.662 -16.581 1.00 40.42 H new ATOM 0 HG23 THR A 59 9.928 9.995 -16.233 1.00 40.42 H new ATOM 894 N CYS A 60 12.592 7.953 -15.434 1.00 0.34 N ATOM 895 CA CYS A 60 12.998 7.138 -16.500 1.00 34.03 C ATOM 896 C CYS A 60 14.226 7.578 -17.046 1.00 42.34 C ATOM 897 O CYS A 60 14.211 8.450 -17.863 1.00 45.33 O ATOM 898 CB CYS A 60 12.012 7.173 -17.659 1.00 60.43 C ATOM 899 SG CYS A 60 10.364 6.491 -17.400 1.00 11.13 S ATOM 0 H CYS A 60 13.114 8.825 -15.346 1.00 0.34 H new ATOM 0 HA CYS A 60 13.073 6.137 -16.076 1.00 34.03 H new ATOM 0 HB2 CYS A 60 11.897 8.212 -17.966 1.00 60.43 H new ATOM 0 HB3 CYS A 60 12.464 6.641 -18.496 1.00 60.43 H new