USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 369 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 SER OG : rot -160:sc= 0.801 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 161:sc= 1.13 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.583 X(o=-0.58,f=-0.11) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.018) 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= -5.74! C(o=-5.7!,f=-9.1!) USER MOD Single : A 30 SER OG : rot -121:sc= 1.2 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.54) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00167 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= -0.147 K(o=-0.15,f=-1.5) USER MOD Single : A 46 ASN : amide:sc=-0.00346 K(o=-0.0035,f=-0.95) USER MOD Single : A 48 ASN : amide:sc= 0.786 K(o=0.79,f=-1!) USER MOD Single : A 49 ASN : amide:sc= -1.31 K(o=-1.3,f=-4.9!) 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= -0.0283 K(o=-0.028,f=-1.8!) USER MOD Single : A 58 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.21) USER MOD Single : A 59 THR OG1 : rot 119:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 9 5.204 9.097 -19.414 1.00 73.13 N ATOM 135 CA TYR A 9 5.706 10.444 -19.633 1.00 54.04 C ATOM 136 C TYR A 9 7.071 10.391 -20.187 1.00 73.44 C ATOM 137 O TYR A 9 7.471 11.211 -20.984 1.00 11.11 O ATOM 138 CB TYR A 9 5.786 11.110 -18.293 1.00 1.42 C ATOM 139 CG TYR A 9 4.451 11.306 -17.695 1.00 12.21 C ATOM 140 CD1 TYR A 9 3.404 11.652 -18.510 1.00 74.43 C ATOM 141 CD2 TYR A 9 4.226 11.135 -16.344 1.00 22.24 C ATOM 142 CE1 TYR A 9 2.135 11.835 -17.997 1.00 2.31 C ATOM 143 CE2 TYR A 9 2.972 11.311 -15.810 1.00 74.14 C ATOM 144 CZ TYR A 9 1.926 11.663 -16.636 1.00 13.44 C ATOM 145 OH TYR A 9 0.673 11.840 -16.100 1.00 35.41 O ATOM 0 HA TYR A 9 5.052 10.978 -20.323 1.00 54.04 H new ATOM 0 HB2 TYR A 9 6.399 10.506 -17.624 1.00 1.42 H new ATOM 0 HB3 TYR A 9 6.283 12.075 -18.396 1.00 1.42 H new ATOM 0 HD1 TYR A 9 3.574 11.783 -19.568 1.00 74.43 H new ATOM 0 HD2 TYR A 9 5.046 10.859 -15.698 1.00 22.24 H new ATOM 0 HE1 TYR A 9 1.316 12.108 -18.646 1.00 2.31 H new ATOM 0 HE2 TYR A 9 2.807 11.175 -14.751 1.00 74.14 H new ATOM 0 HH TYR A 9 0.705 11.679 -15.134 1.00 35.41 H new ATOM 155 N CYS A 10 7.759 9.373 -19.700 1.00 21.03 N ATOM 156 CA CYS A 10 9.120 9.144 -20.078 1.00 54.15 C ATOM 157 C CYS A 10 9.256 9.164 -21.634 1.00 52.40 C ATOM 158 O CYS A 10 10.162 9.731 -22.168 1.00 51.22 O ATOM 159 CB CYS A 10 9.498 7.759 -19.610 1.00 35.30 C ATOM 160 SG CYS A 10 9.211 7.483 -17.831 1.00 44.10 S ATOM 0 H CYS A 10 7.383 8.694 -19.038 1.00 21.03 H new ATOM 0 HA CYS A 10 9.755 9.915 -19.641 1.00 54.15 H new ATOM 0 HB2 CYS A 10 8.928 7.025 -20.179 1.00 35.30 H new ATOM 0 HB3 CYS A 10 10.551 7.585 -19.830 1.00 35.30 H new ATOM 165 N ASN A 11 8.244 8.680 -22.323 1.00 51.51 N ATOM 166 CA ASN A 11 8.304 8.481 -23.773 1.00 34.14 C ATOM 167 C ASN A 11 7.665 9.619 -24.540 1.00 50.22 C ATOM 168 O ASN A 11 7.537 9.551 -25.770 1.00 64.52 O ATOM 169 CB ASN A 11 7.731 7.182 -24.229 1.00 61.23 C ATOM 170 CG ASN A 11 8.325 5.975 -23.535 1.00 13.23 C ATOM 171 OD1 ASN A 11 7.809 5.533 -22.520 1.00 15.51 O ATOM 172 ND2 ASN A 11 9.397 5.431 -24.064 1.00 34.43 N ATOM 0 H ASN A 11 7.354 8.411 -21.903 1.00 51.51 H new ATOM 0 HA ASN A 11 9.371 8.460 -23.996 1.00 34.14 H new ATOM 0 HB2 ASN A 11 6.654 7.192 -24.062 1.00 61.23 H new ATOM 0 HB3 ASN A 11 7.886 7.084 -25.304 1.00 61.23 H new ATOM 0 HD21 ASN A 11 9.823 4.614 -23.626 1.00 34.43 H new ATOM 0 HD22 ASN A 11 9.803 5.825 -24.913 1.00 34.43 H new ATOM 179 N LEU A 12 7.226 10.633 -23.835 1.00 52.12 N ATOM 180 CA LEU A 12 6.491 11.724 -24.451 1.00 11.13 C ATOM 181 C LEU A 12 7.444 12.744 -25.090 1.00 40.05 C ATOM 182 O LEU A 12 8.513 13.013 -24.571 1.00 52.15 O ATOM 183 CB LEU A 12 5.596 12.420 -23.413 1.00 63.31 C ATOM 184 CG LEU A 12 4.470 11.582 -22.809 1.00 71.25 C ATOM 185 CD1 LEU A 12 3.605 12.441 -21.912 1.00 42.14 C ATOM 186 CD2 LEU A 12 3.631 10.929 -23.889 1.00 1.22 C ATOM 0 H LEU A 12 7.363 10.731 -22.829 1.00 52.12 H new ATOM 0 HA LEU A 12 5.864 11.303 -25.237 1.00 11.13 H new ATOM 0 HB2 LEU A 12 6.230 12.775 -22.600 1.00 63.31 H new ATOM 0 HB3 LEU A 12 5.153 13.300 -23.880 1.00 63.31 H new ATOM 0 HG LEU A 12 4.920 10.788 -22.212 1.00 71.25 H new ATOM 0 HD11 LEU A 12 2.806 11.834 -21.487 1.00 42.14 H new ATOM 0 HD12 LEU A 12 4.213 12.855 -21.108 1.00 42.14 H new ATOM 0 HD13 LEU A 12 3.172 13.254 -22.494 1.00 42.14 H new ATOM 0 HD21 LEU A 12 2.838 10.340 -23.428 1.00 1.22 H new ATOM 0 HD22 LEU A 12 3.189 11.699 -24.522 1.00 1.22 H new ATOM 0 HD23 LEU A 12 4.261 10.278 -24.495 1.00 1.22 H new ATOM 198 N PRO A 13 7.080 13.281 -26.259 1.00 32.30 N ATOM 199 CA PRO A 13 7.862 14.329 -26.935 1.00 63.13 C ATOM 200 C PRO A 13 7.778 15.669 -26.181 1.00 64.44 C ATOM 201 O PRO A 13 6.791 15.944 -25.495 1.00 51.13 O ATOM 202 CB PRO A 13 7.168 14.454 -28.308 1.00 75.43 C ATOM 203 CG PRO A 13 6.339 13.226 -28.437 1.00 41.42 C ATOM 204 CD PRO A 13 5.914 12.884 -27.050 1.00 64.01 C ATOM 0 HA PRO A 13 8.922 14.084 -26.996 1.00 63.13 H new ATOM 0 HB2 PRO A 13 6.552 15.352 -28.358 1.00 75.43 H new ATOM 0 HB3 PRO A 13 7.899 14.523 -29.114 1.00 75.43 H new ATOM 0 HG2 PRO A 13 5.476 13.401 -29.080 1.00 41.42 H new ATOM 0 HG3 PRO A 13 6.910 12.412 -28.884 1.00 41.42 H new ATOM 0 HD2 PRO A 13 5.017 13.428 -26.754 1.00 64.01 H new ATOM 0 HD3 PRO A 13 5.692 11.822 -26.943 1.00 64.01 H new ATOM 212 N ALA A 14 8.839 16.451 -26.264 1.00 4.23 N ATOM 213 CA ALA A 14 8.886 17.764 -25.638 1.00 3.35 C ATOM 214 C ALA A 14 7.928 18.765 -26.337 1.00 14.45 C ATOM 215 O ALA A 14 7.807 18.750 -27.580 1.00 32.11 O ATOM 216 CB ALA A 14 10.300 18.284 -25.678 1.00 41.12 C ATOM 0 H ALA A 14 9.691 16.197 -26.765 1.00 4.23 H new ATOM 0 HA ALA A 14 8.557 17.664 -24.604 1.00 3.35 H new ATOM 0 HB1 ALA A 14 10.339 19.268 -25.210 1.00 41.12 H new ATOM 0 HB2 ALA A 14 10.955 17.599 -25.139 1.00 41.12 H new ATOM 0 HB3 ALA A 14 10.630 18.362 -26.714 1.00 41.12 H new ATOM 222 N ASP A 15 7.309 19.647 -25.562 1.00 5.21 N ATOM 223 CA ASP A 15 6.517 20.766 -26.075 1.00 2.11 C ATOM 224 C ASP A 15 7.020 22.038 -25.434 1.00 2.34 C ATOM 225 O ASP A 15 6.958 22.201 -24.222 1.00 74.52 O ATOM 226 CB ASP A 15 4.972 20.639 -25.874 1.00 62.22 C ATOM 227 CG ASP A 15 4.276 19.538 -26.668 1.00 13.23 C ATOM 228 OD1 ASP A 15 4.474 18.348 -26.401 1.00 74.54 O ATOM 229 OD2 ASP A 15 3.462 19.863 -27.574 1.00 4.52 O ATOM 0 H ASP A 15 7.342 19.607 -24.543 1.00 5.21 H new ATOM 0 HA ASP A 15 6.654 20.770 -27.156 1.00 2.11 H new ATOM 0 HB2 ASP A 15 4.777 20.472 -24.815 1.00 62.22 H new ATOM 0 HB3 ASP A 15 4.513 21.592 -26.136 1.00 62.22 H new ATOM 234 N SER A 16 7.581 22.897 -26.223 1.00 11.44 N ATOM 235 CA SER A 16 8.257 24.041 -25.698 1.00 24.42 C ATOM 236 C SER A 16 7.327 25.225 -25.367 1.00 31.13 C ATOM 237 O SER A 16 7.510 25.892 -24.350 1.00 63.20 O ATOM 238 CB SER A 16 9.381 24.468 -26.620 1.00 52.40 C ATOM 239 OG SER A 16 8.901 24.755 -27.938 1.00 50.12 O ATOM 0 H SER A 16 7.584 22.828 -27.241 1.00 11.44 H new ATOM 0 HA SER A 16 8.677 23.728 -24.742 1.00 24.42 H new ATOM 0 HB2 SER A 16 9.873 25.351 -26.211 1.00 52.40 H new ATOM 0 HB3 SER A 16 10.132 23.679 -26.669 1.00 52.40 H new ATOM 0 HG SER A 16 9.651 25.029 -28.507 1.00 50.12 H new ATOM 245 N GLY A 17 6.271 25.412 -26.154 1.00 71.43 N ATOM 246 CA GLY A 17 5.442 26.605 -26.009 1.00 4.54 C ATOM 247 C GLY A 17 6.067 27.808 -26.740 1.00 44.10 C ATOM 248 O GLY A 17 7.112 27.731 -27.395 1.00 44.14 O ATOM 0 H GLY A 17 5.973 24.767 -26.885 1.00 71.43 H new ATOM 0 HA2 GLY A 17 4.447 26.410 -26.408 1.00 4.54 H new ATOM 0 HA3 GLY A 17 5.321 26.841 -24.952 1.00 4.54 H new ATOM 252 N SER A 18 5.374 28.919 -26.525 1.00 0.14 N ATOM 253 CA SER A 18 5.703 30.143 -27.322 1.00 32.42 C ATOM 254 C SER A 18 6.735 30.992 -26.566 1.00 31.14 C ATOM 255 O SER A 18 7.155 32.085 -26.964 1.00 22.23 O ATOM 256 CB SER A 18 4.436 30.925 -27.674 1.00 53.53 C ATOM 257 OG SER A 18 3.676 31.231 -26.510 1.00 73.15 O ATOM 0 H SER A 18 4.617 29.021 -25.849 1.00 0.14 H new ATOM 0 HA SER A 18 6.152 29.849 -28.271 1.00 32.42 H new ATOM 0 HB2 SER A 18 4.707 31.848 -28.187 1.00 53.53 H new ATOM 0 HB3 SER A 18 3.827 30.343 -28.366 1.00 53.53 H new ATOM 0 HG SER A 18 2.752 31.435 -26.767 1.00 73.15 H new ATOM 263 N GLY A 19 7.116 30.379 -25.517 1.00 14.05 N ATOM 264 CA GLY A 19 8.227 30.885 -24.799 1.00 61.13 C ATOM 265 C GLY A 19 7.889 31.918 -23.796 1.00 64.01 C ATOM 266 O GLY A 19 7.072 32.803 -24.030 1.00 34.11 O ATOM 0 H GLY A 19 6.686 29.537 -25.135 1.00 14.05 H new ATOM 0 HA2 GLY A 19 8.726 30.057 -24.296 1.00 61.13 H new ATOM 0 HA3 GLY A 19 8.941 31.304 -25.508 1.00 61.13 H new ATOM 270 N THR A 20 8.500 31.782 -22.688 1.00 21.54 N ATOM 271 CA THR A 20 8.446 32.706 -21.632 1.00 50.34 C ATOM 272 C THR A 20 9.751 32.685 -20.839 1.00 21.32 C ATOM 273 O THR A 20 10.471 33.678 -20.773 1.00 35.53 O ATOM 274 CB THR A 20 7.139 32.529 -20.782 1.00 1.33 C ATOM 275 OG1 THR A 20 5.884 32.874 -21.345 1.00 24.02 O ATOM 276 CG2 THR A 20 7.027 31.193 -20.036 1.00 10.13 C ATOM 0 H THR A 20 9.087 30.974 -22.482 1.00 21.54 H new ATOM 0 HA THR A 20 8.369 33.718 -22.030 1.00 50.34 H new ATOM 0 HB THR A 20 7.335 33.334 -20.074 1.00 1.33 H new ATOM 0 HG1 THR A 20 5.174 32.704 -20.691 1.00 24.02 H new ATOM 0 HG21 THR A 20 6.091 31.165 -19.478 1.00 10.13 H new ATOM 0 HG22 THR A 20 7.046 30.373 -20.754 1.00 10.13 H new ATOM 0 HG23 THR A 20 7.864 31.090 -19.346 1.00 10.13 H new ATOM 284 N LYS A 21 10.063 31.540 -20.312 1.00 13.23 N ATOM 285 CA LYS A 21 11.383 31.362 -19.767 1.00 24.13 C ATOM 286 C LYS A 21 12.036 30.196 -20.484 1.00 53.03 C ATOM 287 O LYS A 21 11.742 29.052 -20.194 1.00 15.14 O ATOM 288 CB LYS A 21 11.367 31.152 -18.241 1.00 63.24 C ATOM 289 CG LYS A 21 10.859 32.358 -17.459 1.00 70.11 C ATOM 290 CD LYS A 21 11.709 33.597 -17.722 1.00 12.54 C ATOM 291 CE LYS A 21 11.132 34.821 -17.030 1.00 55.55 C ATOM 292 NZ LYS A 21 11.849 36.061 -17.408 1.00 30.41 N ATOM 0 H LYS A 21 9.444 30.732 -20.246 1.00 13.23 H new ATOM 0 HA LYS A 21 11.961 32.272 -19.929 1.00 24.13 H new ATOM 0 HB2 LYS A 21 10.741 30.290 -18.009 1.00 63.24 H new ATOM 0 HB3 LYS A 21 12.376 30.912 -17.906 1.00 63.24 H new ATOM 0 HG2 LYS A 21 9.824 32.561 -17.734 1.00 70.11 H new ATOM 0 HG3 LYS A 21 10.867 32.131 -16.393 1.00 70.11 H new ATOM 0 HD2 LYS A 21 12.726 33.424 -17.371 1.00 12.54 H new ATOM 0 HD3 LYS A 21 11.769 33.778 -18.795 1.00 12.54 H new ATOM 0 HE2 LYS A 21 10.077 34.919 -17.287 1.00 55.55 H new ATOM 0 HE3 LYS A 21 11.186 34.686 -15.950 1.00 55.55 H new ATOM 0 HZ1 LYS A 21 11.424 36.872 -16.914 1.00 30.41 H new ATOM 0 HZ2 LYS A 21 12.850 35.978 -17.140 1.00 30.41 H new ATOM 0 HZ3 LYS A 21 11.776 36.205 -18.435 1.00 30.41 H new ATOM 306 N PRO A 22 12.893 30.478 -21.475 1.00 52.45 N ATOM 307 CA PRO A 22 13.593 29.441 -22.204 1.00 50.22 C ATOM 308 C PRO A 22 14.728 28.888 -21.369 1.00 40.04 C ATOM 309 O PRO A 22 15.658 29.616 -20.985 1.00 64.33 O ATOM 310 CB PRO A 22 14.121 30.143 -23.458 1.00 10.01 C ATOM 311 CG PRO A 22 14.142 31.601 -23.140 1.00 53.44 C ATOM 312 CD PRO A 22 13.226 31.829 -21.962 1.00 45.34 C ATOM 0 HA PRO A 22 12.953 28.594 -22.451 1.00 50.22 H new ATOM 0 HB2 PRO A 22 15.119 29.786 -23.713 1.00 10.01 H new ATOM 0 HB3 PRO A 22 13.480 29.941 -24.316 1.00 10.01 H new ATOM 0 HG2 PRO A 22 15.155 31.926 -22.905 1.00 53.44 H new ATOM 0 HG3 PRO A 22 13.812 32.184 -23.999 1.00 53.44 H new ATOM 0 HD2 PRO A 22 13.717 32.418 -21.188 1.00 45.34 H new ATOM 0 HD3 PRO A 22 12.330 32.375 -22.258 1.00 45.34 H new ATOM 320 N GLU A 23 14.653 27.640 -21.062 1.00 34.20 N ATOM 321 CA GLU A 23 15.610 26.999 -20.213 1.00 15.45 C ATOM 322 C GLU A 23 16.058 25.739 -20.903 1.00 73.23 C ATOM 323 O GLU A 23 15.440 25.313 -21.901 1.00 3.44 O ATOM 324 CB GLU A 23 14.918 26.575 -18.918 1.00 72.24 C ATOM 325 CG GLU A 23 14.196 27.672 -18.167 1.00 2.13 C ATOM 326 CD GLU A 23 13.429 27.110 -17.009 1.00 71.00 C ATOM 327 OE1 GLU A 23 12.612 26.186 -17.217 1.00 72.11 O ATOM 328 OE2 GLU A 23 13.620 27.554 -15.858 1.00 73.03 O ATOM 0 H GLU A 23 13.915 27.021 -21.397 1.00 34.20 H new ATOM 0 HA GLU A 23 16.442 27.672 -20.006 1.00 15.45 H new ATOM 0 HB2 GLU A 23 14.201 25.788 -19.152 1.00 72.24 H new ATOM 0 HB3 GLU A 23 15.665 26.138 -18.255 1.00 72.24 H new ATOM 0 HG2 GLU A 23 14.916 28.408 -17.809 1.00 2.13 H new ATOM 0 HG3 GLU A 23 13.516 28.193 -18.841 1.00 2.13 H new ATOM 335 N GLN A 24 17.094 25.132 -20.393 1.00 45.53 N ATOM 336 CA GLN A 24 17.423 23.809 -20.794 1.00 74.20 C ATOM 337 C GLN A 24 16.703 22.925 -19.862 1.00 65.22 C ATOM 338 O GLN A 24 16.804 23.135 -18.657 1.00 21.51 O ATOM 339 CB GLN A 24 18.912 23.514 -20.827 1.00 32.22 C ATOM 340 CG GLN A 24 19.664 24.304 -21.870 1.00 32.04 C ATOM 341 CD GLN A 24 20.087 25.698 -21.420 1.00 2.33 C ATOM 342 OE1 GLN A 24 21.173 25.878 -20.859 1.00 61.10 O ATOM 343 NE2 GLN A 24 19.275 26.687 -21.698 1.00 44.10 N ATOM 0 H GLN A 24 17.720 25.540 -19.699 1.00 45.53 H new ATOM 0 HA GLN A 24 17.121 23.651 -21.829 1.00 74.20 H new ATOM 0 HB2 GLN A 24 19.337 23.727 -19.846 1.00 32.22 H new ATOM 0 HB3 GLN A 24 19.059 22.450 -21.014 1.00 32.22 H new ATOM 0 HG2 GLN A 24 20.553 23.744 -22.161 1.00 32.04 H new ATOM 0 HG3 GLN A 24 19.040 24.396 -22.759 1.00 32.04 H new ATOM 0 HE21 GLN A 24 18.386 26.502 -22.162 1.00 44.10 H new ATOM 0 HE22 GLN A 24 19.532 27.643 -21.450 1.00 44.10 H new ATOM 352 N ARG A 25 16.048 21.939 -20.339 1.00 44.02 N ATOM 353 CA ARG A 25 15.405 20.952 -19.479 1.00 54.23 C ATOM 354 C ARG A 25 15.683 19.637 -20.028 1.00 71.24 C ATOM 355 O ARG A 25 16.309 19.569 -21.050 1.00 52.24 O ATOM 356 CB ARG A 25 13.941 21.159 -19.378 1.00 10.45 C ATOM 357 CG ARG A 25 13.576 22.481 -18.676 1.00 11.32 C ATOM 358 CD ARG A 25 14.205 22.512 -17.306 1.00 44.33 C ATOM 359 NE ARG A 25 14.045 23.776 -16.570 1.00 3.44 N ATOM 360 CZ ARG A 25 14.673 24.027 -15.404 1.00 62.32 C ATOM 361 NH1 ARG A 25 15.477 23.103 -14.869 1.00 54.10 N ATOM 362 NH2 ARG A 25 14.542 25.197 -14.809 1.00 11.24 N ATOM 0 H ARG A 25 15.926 21.768 -21.337 1.00 44.02 H new ATOM 0 HA ARG A 25 15.804 21.052 -18.470 1.00 54.23 H new ATOM 0 HB2 ARG A 25 13.507 21.151 -20.378 1.00 10.45 H new ATOM 0 HB3 ARG A 25 13.497 20.327 -18.831 1.00 10.45 H new ATOM 0 HG2 ARG A 25 13.925 23.328 -19.267 1.00 11.32 H new ATOM 0 HG3 ARG A 25 12.493 22.574 -18.593 1.00 11.32 H new ATOM 0 HD2 ARG A 25 13.777 21.706 -16.709 1.00 44.33 H new ATOM 0 HD3 ARG A 25 15.270 22.302 -17.408 1.00 44.33 H new ATOM 0 HE ARG A 25 13.433 24.493 -16.959 1.00 3.44 H new ATOM 0 HH11 ARG A 25 15.614 22.210 -15.343 1.00 54.10 H new ATOM 0 HH12 ARG A 25 15.953 23.291 -13.987 1.00 54.10 H new ATOM 0 HH21 ARG A 25 13.961 25.922 -15.231 1.00 11.24 H new ATOM 0 HH22 ARG A 25 15.021 25.377 -13.927 1.00 11.24 H new ATOM 376 N ILE A 26 15.198 18.587 -19.420 1.00 54.31 N ATOM 377 CA ILE A 26 15.651 17.297 -19.816 1.00 41.33 C ATOM 378 C ILE A 26 14.493 16.267 -19.883 1.00 42.21 C ATOM 379 O ILE A 26 13.667 16.223 -18.995 1.00 1.24 O ATOM 380 CB ILE A 26 16.636 16.783 -18.746 1.00 70.00 C ATOM 381 CG1 ILE A 26 17.744 17.788 -18.450 1.00 12.41 C ATOM 382 CG2 ILE A 26 17.283 15.556 -19.278 1.00 32.05 C ATOM 383 CD1 ILE A 26 18.449 17.515 -17.153 1.00 33.43 C ATOM 0 H ILE A 26 14.508 18.604 -18.669 1.00 54.31 H new ATOM 0 HA ILE A 26 16.104 17.394 -20.803 1.00 41.33 H new ATOM 0 HB ILE A 26 16.076 16.605 -17.828 1.00 70.00 H new ATOM 0 HG12 ILE A 26 18.470 17.771 -19.263 1.00 12.41 H new ATOM 0 HG13 ILE A 26 17.320 18.792 -18.423 1.00 12.41 H new ATOM 0 HG21 ILE A 26 17.987 15.168 -18.542 1.00 32.05 H new ATOM 0 HG22 ILE A 26 16.522 14.804 -19.484 1.00 32.05 H new ATOM 0 HG23 ILE A 26 17.815 15.795 -20.199 1.00 32.05 H new ATOM 0 HD11 ILE A 26 19.227 18.263 -16.997 1.00 33.43 H new ATOM 0 HD12 ILE A 26 17.732 17.560 -16.333 1.00 33.43 H new ATOM 0 HD13 ILE A 26 18.901 16.524 -17.186 1.00 33.43 H new ATOM 395 N TYR A 27 14.427 15.491 -20.937 1.00 52.02 N ATOM 396 CA TYR A 27 13.296 14.597 -21.186 1.00 40.54 C ATOM 397 C TYR A 27 13.901 13.251 -21.666 1.00 12.13 C ATOM 398 O TYR A 27 15.056 13.213 -22.133 1.00 31.20 O ATOM 399 CB TYR A 27 12.368 15.222 -22.286 1.00 52.43 C ATOM 400 CG TYR A 27 12.972 15.298 -23.666 1.00 11.02 C ATOM 401 CD1 TYR A 27 13.759 16.364 -24.049 1.00 20.04 C ATOM 402 CD2 TYR A 27 12.751 14.278 -24.587 1.00 25.12 C ATOM 403 CE1 TYR A 27 14.316 16.398 -25.323 1.00 72.42 C ATOM 404 CE2 TYR A 27 13.301 14.315 -25.840 1.00 1.50 C ATOM 405 CZ TYR A 27 14.086 15.371 -26.203 1.00 10.34 C ATOM 406 OH TYR A 27 14.642 15.409 -27.467 1.00 60.21 O ATOM 0 H TYR A 27 15.151 15.453 -21.654 1.00 52.02 H new ATOM 0 HA TYR A 27 12.689 14.446 -20.293 1.00 40.54 H new ATOM 0 HB2 TYR A 27 11.450 14.637 -22.340 1.00 52.43 H new ATOM 0 HB3 TYR A 27 12.087 16.228 -21.974 1.00 52.43 H new ATOM 0 HD1 TYR A 27 13.943 17.174 -23.358 1.00 20.04 H new ATOM 0 HD2 TYR A 27 12.132 13.439 -24.307 1.00 25.12 H new ATOM 0 HE1 TYR A 27 14.931 17.235 -25.620 1.00 72.42 H new ATOM 0 HE2 TYR A 27 13.115 13.512 -26.538 1.00 1.50 H new ATOM 0 HH TYR A 27 14.382 14.605 -27.963 1.00 60.21 H new ATOM 416 N TYR A 28 13.157 12.143 -21.505 1.00 43.13 N ATOM 417 CA TYR A 28 13.596 10.817 -21.955 1.00 31.33 C ATOM 418 C TYR A 28 13.309 10.672 -23.422 1.00 45.52 C ATOM 419 O TYR A 28 12.252 11.072 -23.911 1.00 50.14 O ATOM 420 CB TYR A 28 12.902 9.668 -21.165 1.00 64.20 C ATOM 421 CG TYR A 28 13.147 8.225 -21.650 1.00 42.53 C ATOM 422 CD1 TYR A 28 14.337 7.566 -21.468 1.00 31.33 C ATOM 423 CD2 TYR A 28 12.109 7.507 -22.177 1.00 22.35 C ATOM 424 CE1 TYR A 28 14.460 6.229 -21.782 1.00 65.30 C ATOM 425 CE2 TYR A 28 12.222 6.196 -22.520 1.00 4.25 C ATOM 426 CZ TYR A 28 13.391 5.553 -22.309 1.00 61.44 C ATOM 427 OH TYR A 28 13.488 4.208 -22.591 1.00 70.41 O ATOM 0 H TYR A 28 12.239 12.144 -21.061 1.00 43.13 H new ATOM 0 HA TYR A 28 14.667 10.738 -21.769 1.00 31.33 H new ATOM 0 HB2 TYR A 28 13.222 9.733 -20.125 1.00 64.20 H new ATOM 0 HB3 TYR A 28 11.827 9.850 -21.179 1.00 64.20 H new ATOM 0 HD1 TYR A 28 15.188 8.101 -21.074 1.00 31.33 H new ATOM 0 HD2 TYR A 28 11.161 8.002 -22.327 1.00 22.35 H new ATOM 0 HE1 TYR A 28 15.396 5.716 -21.613 1.00 65.30 H new ATOM 0 HE2 TYR A 28 11.384 5.673 -22.957 1.00 4.25 H new ATOM 0 HH TYR A 28 12.637 3.889 -22.958 1.00 70.41 H new ATOM 437 N ASN A 29 14.256 10.156 -24.092 1.00 62.51 N ATOM 438 CA ASN A 29 14.076 9.846 -25.477 1.00 1.33 C ATOM 439 C ASN A 29 13.242 8.616 -25.597 1.00 52.30 C ATOM 440 O ASN A 29 13.467 7.612 -24.961 1.00 63.31 O ATOM 441 CB ASN A 29 15.374 9.536 -26.139 1.00 33.24 C ATOM 442 CG ASN A 29 16.334 10.663 -26.233 1.00 25.22 C ATOM 443 OD1 ASN A 29 17.515 10.457 -26.104 1.00 61.21 O ATOM 444 ND2 ASN A 29 15.856 11.815 -26.600 1.00 22.44 N ATOM 0 H ASN A 29 15.177 9.932 -23.716 1.00 62.51 H new ATOM 0 HA ASN A 29 13.611 10.713 -25.947 1.00 1.33 H new ATOM 0 HB2 ASN A 29 15.852 8.720 -25.596 1.00 33.24 H new ATOM 0 HB3 ASN A 29 15.169 9.172 -27.146 1.00 33.24 H new ATOM 0 HD21 ASN A 29 16.489 12.592 -26.792 1.00 22.44 H new ATOM 0 HD22 ASN A 29 14.848 11.942 -26.696 1.00 22.44 H new ATOM 451 N SER A 30 12.388 8.703 -26.591 1.00 3.24 N ATOM 452 CA SER A 30 11.320 7.739 -26.840 1.00 3.44 C ATOM 453 C SER A 30 12.001 6.590 -27.629 1.00 40.45 C ATOM 454 O SER A 30 12.048 5.444 -27.202 1.00 52.31 O ATOM 455 CB SER A 30 10.258 8.417 -27.728 1.00 70.12 C ATOM 456 OG SER A 30 9.809 9.629 -27.143 1.00 53.01 O ATOM 0 H SER A 30 12.410 9.463 -27.271 1.00 3.24 H new ATOM 0 HA SER A 30 10.840 7.381 -25.929 1.00 3.44 H new ATOM 0 HB2 SER A 30 10.677 8.618 -28.714 1.00 70.12 H new ATOM 0 HB3 SER A 30 9.414 7.743 -27.871 1.00 70.12 H new ATOM 0 HG SER A 30 8.841 9.583 -26.996 1.00 53.01 H new ATOM 462 N ALA A 31 12.499 6.985 -28.807 1.00 53.45 N ATOM 463 CA ALA A 31 13.326 6.088 -29.648 1.00 15.21 C ATOM 464 C ALA A 31 14.590 5.624 -28.881 1.00 64.21 C ATOM 465 O ALA A 31 14.811 4.438 -28.649 1.00 74.14 O ATOM 466 CB ALA A 31 13.709 6.770 -30.955 1.00 20.13 C ATOM 0 H ALA A 31 12.349 7.912 -29.204 1.00 53.45 H new ATOM 0 HA ALA A 31 12.731 5.207 -29.887 1.00 15.21 H new ATOM 0 HB1 ALA A 31 14.316 6.092 -31.555 1.00 20.13 H new ATOM 0 HB2 ALA A 31 12.806 7.033 -31.506 1.00 20.13 H new ATOM 0 HB3 ALA A 31 14.280 7.674 -30.740 1.00 20.13 H new ATOM 472 N LYS A 32 15.394 6.618 -28.506 1.00 73.30 N ATOM 473 CA LYS A 32 16.843 6.457 -28.180 1.00 41.15 C ATOM 474 C LYS A 32 17.160 5.972 -26.773 1.00 64.12 C ATOM 475 O LYS A 32 18.264 5.484 -26.476 1.00 22.05 O ATOM 476 CB LYS A 32 17.510 7.811 -28.292 1.00 71.00 C ATOM 477 CG LYS A 32 17.276 8.512 -29.585 1.00 42.40 C ATOM 478 CD LYS A 32 18.065 9.792 -29.637 1.00 34.11 C ATOM 479 CE LYS A 32 17.825 10.553 -30.924 1.00 13.31 C ATOM 480 NZ LYS A 32 18.595 11.809 -30.958 1.00 55.00 N ATOM 0 H LYS A 32 15.068 7.580 -28.413 1.00 73.30 H new ATOM 0 HA LYS A 32 17.198 5.701 -28.880 1.00 41.15 H new ATOM 0 HB2 LYS A 32 17.154 8.445 -27.480 1.00 71.00 H new ATOM 0 HB3 LYS A 32 18.584 7.685 -28.151 1.00 71.00 H new ATOM 0 HG2 LYS A 32 17.564 7.866 -30.414 1.00 42.40 H new ATOM 0 HG3 LYS A 32 16.214 8.727 -29.703 1.00 42.40 H new ATOM 0 HD2 LYS A 32 17.794 10.420 -28.788 1.00 34.11 H new ATOM 0 HD3 LYS A 32 19.127 9.568 -29.541 1.00 34.11 H new ATOM 0 HE2 LYS A 32 18.104 9.930 -31.774 1.00 13.31 H new ATOM 0 HE3 LYS A 32 16.762 10.773 -31.025 1.00 13.31 H new ATOM 0 HZ1 LYS A 32 18.409 12.306 -31.852 1.00 55.00 H new ATOM 0 HZ2 LYS A 32 18.310 12.412 -30.160 1.00 55.00 H new ATOM 0 HZ3 LYS A 32 19.610 11.596 -30.886 1.00 55.00 H new ATOM 494 N LYS A 33 16.122 6.094 -25.966 1.00 35.30 N ATOM 495 CA LYS A 33 16.104 5.608 -24.588 1.00 34.04 C ATOM 496 C LYS A 33 17.212 6.228 -23.725 1.00 63.35 C ATOM 497 O LYS A 33 17.886 5.553 -22.966 1.00 64.41 O ATOM 498 CB LYS A 33 16.127 4.084 -24.561 1.00 25.42 C ATOM 499 CG LYS A 33 14.951 3.546 -25.325 1.00 23.12 C ATOM 500 CD LYS A 33 14.542 2.190 -24.902 1.00 15.33 C ATOM 501 CE LYS A 33 13.128 2.023 -25.340 1.00 51.23 C ATOM 502 NZ LYS A 33 12.522 0.762 -24.879 1.00 4.23 N ATOM 0 H LYS A 33 15.250 6.541 -26.250 1.00 35.30 H new ATOM 0 HA LYS A 33 15.169 5.937 -24.135 1.00 34.04 H new ATOM 0 HB2 LYS A 33 17.056 3.717 -24.998 1.00 25.42 H new ATOM 0 HB3 LYS A 33 16.097 3.728 -23.531 1.00 25.42 H new ATOM 0 HG2 LYS A 33 14.107 4.226 -25.203 1.00 23.12 H new ATOM 0 HG3 LYS A 33 15.195 3.528 -26.387 1.00 23.12 H new ATOM 0 HD2 LYS A 33 15.181 1.432 -25.355 1.00 15.33 H new ATOM 0 HD3 LYS A 33 14.630 2.077 -23.821 1.00 15.33 H new ATOM 0 HE2 LYS A 33 12.538 2.860 -24.967 1.00 51.23 H new ATOM 0 HE3 LYS A 33 13.085 2.063 -26.428 1.00 51.23 H new ATOM 0 HZ1 LYS A 33 11.540 0.705 -25.216 1.00 4.23 H new ATOM 0 HZ2 LYS A 33 13.064 -0.042 -25.256 1.00 4.23 H new ATOM 0 HZ3 LYS A 33 12.534 0.731 -23.840 1.00 4.23 H new ATOM 516 N GLN A 34 17.348 7.523 -23.876 1.00 24.44 N ATOM 517 CA GLN A 34 18.363 8.327 -23.190 1.00 62.51 C ATOM 518 C GLN A 34 17.652 9.470 -22.464 1.00 35.50 C ATOM 519 O GLN A 34 16.439 9.585 -22.543 1.00 22.51 O ATOM 520 CB GLN A 34 19.383 8.882 -24.200 1.00 72.14 C ATOM 521 CG GLN A 34 20.167 7.816 -24.942 1.00 53.02 C ATOM 522 CD GLN A 34 21.012 6.959 -24.019 1.00 53.52 C ATOM 523 OE1 GLN A 34 21.491 7.413 -22.977 1.00 33.25 O ATOM 524 NE2 GLN A 34 21.191 5.722 -24.382 1.00 72.53 N ATOM 0 H GLN A 34 16.748 8.072 -24.491 1.00 24.44 H new ATOM 0 HA GLN A 34 18.908 7.711 -22.475 1.00 62.51 H new ATOM 0 HB2 GLN A 34 18.858 9.502 -24.926 1.00 72.14 H new ATOM 0 HB3 GLN A 34 20.083 9.531 -23.673 1.00 72.14 H new ATOM 0 HG2 GLN A 34 19.474 7.178 -25.490 1.00 53.02 H new ATOM 0 HG3 GLN A 34 20.812 8.293 -25.679 1.00 53.02 H new ATOM 0 HE21 GLN A 34 20.780 5.381 -25.251 1.00 72.53 H new ATOM 0 HE22 GLN A 34 21.743 5.094 -23.798 1.00 72.53 H new ATOM 533 N CYS A 35 18.438 10.401 -21.940 1.00 43.45 N ATOM 534 CA CYS A 35 17.940 11.514 -21.109 1.00 33.54 C ATOM 535 C CYS A 35 18.621 12.648 -21.708 1.00 63.43 C ATOM 536 O CYS A 35 19.803 12.853 -21.434 1.00 53.31 O ATOM 537 CB CYS A 35 18.437 11.359 -19.603 1.00 64.52 C ATOM 538 SG CYS A 35 18.050 12.767 -18.435 1.00 54.32 S ATOM 0 H CYS A 35 19.449 10.414 -22.075 1.00 43.45 H new ATOM 0 HA CYS A 35 16.853 11.583 -21.079 1.00 33.54 H new ATOM 0 HB2 CYS A 35 17.999 10.449 -19.193 1.00 64.52 H new ATOM 0 HB3 CYS A 35 19.517 11.216 -19.615 1.00 64.52 H new ATOM 543 N VAL A 36 17.993 13.393 -22.568 1.00 61.41 N ATOM 544 CA VAL A 36 18.582 14.464 -23.262 1.00 32.41 C ATOM 545 C VAL A 36 17.824 15.744 -22.935 1.00 61.42 C ATOM 546 O VAL A 36 16.709 15.704 -22.429 1.00 61.11 O ATOM 547 CB VAL A 36 18.496 14.247 -24.802 1.00 3.31 C ATOM 548 CG1 VAL A 36 19.077 12.929 -25.230 1.00 32.34 C ATOM 549 CG2 VAL A 36 17.078 14.312 -25.266 1.00 12.12 C ATOM 0 H VAL A 36 17.011 13.252 -22.805 1.00 61.41 H new ATOM 0 HA VAL A 36 19.627 14.530 -22.961 1.00 32.41 H new ATOM 0 HB VAL A 36 19.081 15.047 -25.255 1.00 3.31 H new ATOM 0 HG11 VAL A 36 18.992 12.828 -26.312 1.00 32.34 H new ATOM 0 HG12 VAL A 36 20.128 12.884 -24.943 1.00 32.34 H new ATOM 0 HG13 VAL A 36 18.534 12.117 -24.746 1.00 32.34 H new ATOM 0 HG21 VAL A 36 17.041 14.158 -26.344 1.00 12.12 H new ATOM 0 HG22 VAL A 36 16.496 13.536 -24.768 1.00 12.12 H new ATOM 0 HG23 VAL A 36 16.661 15.290 -25.024 1.00 12.12 H new ATOM 559 N THR A 37 18.429 16.845 -23.221 1.00 32.44 N ATOM 560 CA THR A 37 17.811 18.109 -22.971 1.00 31.12 C ATOM 561 C THR A 37 16.905 18.608 -24.105 1.00 3.20 C ATOM 562 O THR A 37 17.044 18.197 -25.270 1.00 44.32 O ATOM 563 CB THR A 37 18.876 19.177 -22.672 1.00 12.11 C ATOM 564 OG1 THR A 37 19.841 19.210 -23.743 1.00 2.53 O ATOM 565 CG2 THR A 37 19.550 18.891 -21.357 1.00 31.42 C ATOM 0 H THR A 37 19.361 16.899 -23.632 1.00 32.44 H new ATOM 0 HA THR A 37 17.168 17.946 -22.106 1.00 31.12 H new ATOM 0 HB THR A 37 18.395 20.153 -22.600 1.00 12.11 H new ATOM 0 HG1 THR A 37 20.518 19.892 -23.552 1.00 2.53 H new ATOM 0 HG21 THR A 37 20.301 19.656 -21.159 1.00 31.42 H new ATOM 0 HG22 THR A 37 18.808 18.897 -20.559 1.00 31.42 H new ATOM 0 HG23 THR A 37 20.030 17.913 -21.399 1.00 31.42 H new ATOM 573 N PHE A 38 16.033 19.538 -23.745 1.00 60.01 N ATOM 574 CA PHE A 38 15.136 20.155 -24.657 1.00 14.23 C ATOM 575 C PHE A 38 14.978 21.566 -24.262 1.00 41.13 C ATOM 576 O PHE A 38 15.342 21.971 -23.139 1.00 31.21 O ATOM 577 CB PHE A 38 13.748 19.553 -24.691 1.00 31.41 C ATOM 578 CG PHE A 38 12.851 19.693 -23.502 1.00 72.41 C ATOM 579 CD1 PHE A 38 13.005 18.972 -22.342 1.00 63.23 C ATOM 580 CD2 PHE A 38 11.793 20.558 -23.610 1.00 71.13 C ATOM 581 CE1 PHE A 38 12.107 19.127 -21.310 1.00 61.13 C ATOM 582 CE2 PHE A 38 10.902 20.733 -22.612 1.00 55.52 C ATOM 583 CZ PHE A 38 11.051 20.015 -21.445 1.00 41.21 C ATOM 0 H PHE A 38 15.943 19.878 -22.788 1.00 60.01 H new ATOM 0 HA PHE A 38 15.573 20.016 -25.646 1.00 14.23 H new ATOM 0 HB2 PHE A 38 13.226 19.985 -25.545 1.00 31.41 H new ATOM 0 HB3 PHE A 38 13.860 18.487 -24.891 1.00 31.41 H new ATOM 0 HD1 PHE A 38 13.831 18.284 -22.240 1.00 63.23 H new ATOM 0 HD2 PHE A 38 11.668 21.118 -24.525 1.00 71.13 H new ATOM 0 HE1 PHE A 38 12.225 18.559 -20.399 1.00 61.13 H new ATOM 0 HE2 PHE A 38 10.082 21.427 -22.726 1.00 55.52 H new ATOM 0 HZ PHE A 38 10.346 20.144 -20.637 1.00 41.21 H new ATOM 593 N THR A 39 14.479 22.304 -25.164 1.00 52.23 N ATOM 594 CA THR A 39 14.184 23.676 -24.973 1.00 43.32 C ATOM 595 C THR A 39 12.841 23.777 -24.247 1.00 14.30 C ATOM 596 O THR A 39 11.784 23.472 -24.821 1.00 33.32 O ATOM 597 CB THR A 39 14.008 24.335 -26.336 1.00 3.41 C ATOM 598 OG1 THR A 39 15.182 24.109 -27.155 1.00 34.12 O ATOM 599 CG2 THR A 39 13.761 25.826 -26.197 1.00 23.13 C ATOM 0 H THR A 39 14.252 21.964 -26.098 1.00 52.23 H new ATOM 0 HA THR A 39 14.984 24.155 -24.408 1.00 43.32 H new ATOM 0 HB THR A 39 13.138 23.886 -26.816 1.00 3.41 H new ATOM 0 HG1 THR A 39 15.058 24.535 -28.029 1.00 34.12 H new ATOM 0 HG21 THR A 39 13.639 26.268 -27.186 1.00 23.13 H new ATOM 0 HG22 THR A 39 12.857 25.992 -25.611 1.00 23.13 H new ATOM 0 HG23 THR A 39 14.609 26.290 -25.694 1.00 23.13 H new ATOM 607 N TYR A 40 12.884 24.165 -23.011 1.00 51.13 N ATOM 608 CA TYR A 40 11.650 24.305 -22.297 1.00 14.52 C ATOM 609 C TYR A 40 11.324 25.744 -22.141 1.00 3.22 C ATOM 610 O TYR A 40 12.060 26.471 -21.494 1.00 14.40 O ATOM 611 CB TYR A 40 11.720 23.589 -20.950 1.00 15.42 C ATOM 612 CG TYR A 40 10.484 23.643 -20.022 1.00 31.11 C ATOM 613 CD1 TYR A 40 10.343 24.672 -19.107 1.00 61.22 C ATOM 614 CD2 TYR A 40 9.498 22.633 -20.019 1.00 33.30 C ATOM 615 CE1 TYR A 40 9.280 24.717 -18.224 1.00 51.32 C ATOM 616 CE2 TYR A 40 8.429 22.689 -19.142 1.00 44.44 C ATOM 617 CZ TYR A 40 8.327 23.732 -18.249 1.00 22.10 C ATOM 618 OH TYR A 40 7.274 23.765 -17.344 1.00 54.44 O ATOM 0 H TYR A 40 13.731 24.385 -22.487 1.00 51.13 H new ATOM 0 HA TYR A 40 10.849 23.835 -22.867 1.00 14.52 H new ATOM 0 HB2 TYR A 40 11.944 22.540 -21.143 1.00 15.42 H new ATOM 0 HB3 TYR A 40 12.566 24.000 -20.400 1.00 15.42 H new ATOM 0 HD1 TYR A 40 11.082 25.459 -19.082 1.00 61.22 H new ATOM 0 HD2 TYR A 40 9.579 21.807 -20.709 1.00 33.30 H new ATOM 0 HE1 TYR A 40 9.201 25.528 -17.515 1.00 51.32 H new ATOM 0 HE2 TYR A 40 7.676 21.915 -19.158 1.00 44.44 H new ATOM 0 HH TYR A 40 6.687 22.995 -17.497 1.00 54.44 H new ATOM 628 N ASN A 41 10.285 26.178 -22.794 1.00 22.51 N ATOM 629 CA ASN A 41 9.950 27.567 -22.779 1.00 51.53 C ATOM 630 C ASN A 41 8.981 27.848 -21.675 1.00 70.13 C ATOM 631 O ASN A 41 8.851 28.992 -21.244 1.00 11.21 O ATOM 632 CB ASN A 41 9.433 28.050 -24.129 1.00 21.25 C ATOM 633 CG ASN A 41 10.459 28.003 -25.253 1.00 30.41 C ATOM 634 OD1 ASN A 41 11.655 28.155 -25.028 1.00 20.12 O ATOM 635 ND2 ASN A 41 9.997 27.806 -26.471 1.00 15.43 N ATOM 0 H ASN A 41 9.658 25.589 -23.342 1.00 22.51 H new ATOM 0 HA ASN A 41 10.862 28.133 -22.588 1.00 51.53 H new ATOM 0 HB2 ASN A 41 8.574 27.442 -24.413 1.00 21.25 H new ATOM 0 HB3 ASN A 41 9.077 29.075 -24.022 1.00 21.25 H new ATOM 0 HD21 ASN A 41 10.640 27.776 -27.262 1.00 15.43 H new ATOM 0 HD22 ASN A 41 8.996 27.683 -26.623 1.00 15.43 H new ATOM 642 N GLY A 42 8.244 26.815 -21.257 1.00 10.01 N ATOM 643 CA GLY A 42 7.514 26.936 -20.030 1.00 52.21 C ATOM 644 C GLY A 42 6.046 27.278 -20.102 1.00 13.14 C ATOM 645 O GLY A 42 5.499 27.700 -19.092 1.00 35.12 O ATOM 0 H GLY A 42 8.149 25.923 -21.742 1.00 10.01 H new ATOM 0 HA2 GLY A 42 7.610 25.993 -19.492 1.00 52.21 H new ATOM 0 HA3 GLY A 42 8.004 27.699 -19.425 1.00 52.21 H new ATOM 649 N LYS A 43 5.358 27.168 -21.223 1.00 34.12 N ATOM 650 CA LYS A 43 3.987 27.617 -21.283 1.00 20.42 C ATOM 651 C LYS A 43 2.992 26.483 -21.715 1.00 43.25 C ATOM 652 O LYS A 43 2.959 25.358 -21.185 1.00 2.31 O ATOM 653 CB LYS A 43 3.929 28.707 -22.410 1.00 52.12 C ATOM 654 CG LYS A 43 4.889 29.852 -22.343 1.00 3.31 C ATOM 655 CD LYS A 43 4.528 30.907 -23.377 1.00 15.11 C ATOM 656 CE LYS A 43 3.179 31.546 -23.110 1.00 43.13 C ATOM 657 NZ LYS A 43 2.841 32.539 -24.143 1.00 22.35 N ATOM 0 H LYS A 43 5.723 26.777 -22.091 1.00 34.12 H new ATOM 0 HA LYS A 43 3.697 27.969 -20.293 1.00 20.42 H new ATOM 0 HB2 LYS A 43 4.078 28.204 -23.366 1.00 52.12 H new ATOM 0 HB3 LYS A 43 2.920 29.120 -22.421 1.00 52.12 H new ATOM 0 HG2 LYS A 43 4.873 30.291 -21.345 1.00 3.31 H new ATOM 0 HG3 LYS A 43 5.904 29.495 -22.518 1.00 3.31 H new ATOM 0 HD2 LYS A 43 5.297 31.680 -23.386 1.00 15.11 H new ATOM 0 HD3 LYS A 43 4.521 30.452 -24.368 1.00 15.11 H new ATOM 0 HE2 LYS A 43 2.409 30.775 -23.079 1.00 43.13 H new ATOM 0 HE3 LYS A 43 3.189 32.026 -22.131 1.00 43.13 H new ATOM 0 HZ1 LYS A 43 1.817 32.720 -24.129 1.00 22.35 H new ATOM 0 HZ2 LYS A 43 3.352 33.425 -23.953 1.00 22.35 H new ATOM 0 HZ3 LYS A 43 3.115 32.175 -25.078 1.00 22.35 H new ATOM 671 N GLY A 44 2.198 26.979 -22.633 1.00 24.23 N ATOM 672 CA GLY A 44 1.299 26.103 -23.363 1.00 11.24 C ATOM 673 C GLY A 44 1.813 24.754 -23.810 1.00 14.35 C ATOM 674 O GLY A 44 2.975 24.588 -24.223 1.00 45.32 O ATOM 0 H GLY A 44 2.151 27.964 -22.893 1.00 24.23 H new ATOM 0 HA2 GLY A 44 0.422 25.933 -22.739 1.00 11.24 H new ATOM 0 HA3 GLY A 44 0.961 26.639 -24.250 1.00 11.24 H new ATOM 678 N GLY A 45 0.899 23.819 -23.761 1.00 15.25 N ATOM 679 CA GLY A 45 1.162 22.516 -24.267 1.00 14.04 C ATOM 680 C GLY A 45 1.814 21.600 -23.263 1.00 54.54 C ATOM 681 O GLY A 45 1.841 21.873 -22.053 1.00 11.11 O ATOM 0 H GLY A 45 -0.035 23.947 -23.372 1.00 15.25 H new ATOM 0 HA2 GLY A 45 0.226 22.069 -24.600 1.00 14.04 H new ATOM 0 HA3 GLY A 45 1.805 22.598 -25.143 1.00 14.04 H new ATOM 685 N ASN A 46 2.326 20.504 -23.801 1.00 50.41 N ATOM 686 CA ASN A 46 2.921 19.504 -22.897 1.00 64.12 C ATOM 687 C ASN A 46 4.181 19.857 -22.164 1.00 72.40 C ATOM 688 O ASN A 46 5.078 20.522 -22.637 1.00 31.12 O ATOM 689 CB ASN A 46 3.033 18.122 -23.541 1.00 73.12 C ATOM 690 CG ASN A 46 1.681 17.511 -23.863 1.00 33.32 C ATOM 691 OD1 ASN A 46 0.681 17.768 -23.185 1.00 41.52 O ATOM 692 ND2 ASN A 46 1.637 16.691 -24.875 1.00 34.41 N ATOM 0 H ASN A 46 2.349 20.281 -24.796 1.00 50.41 H new ATOM 0 HA ASN A 46 2.177 19.489 -22.100 1.00 64.12 H new ATOM 0 HB2 ASN A 46 3.619 18.200 -24.457 1.00 73.12 H new ATOM 0 HB3 ASN A 46 3.577 17.457 -22.870 1.00 73.12 H new ATOM 0 HD21 ASN A 46 0.758 16.240 -25.128 1.00 34.41 H new ATOM 0 HD22 ASN A 46 2.482 16.501 -25.414 1.00 34.41 H new ATOM 699 N GLY A 47 4.177 19.332 -20.966 1.00 1.45 N ATOM 700 CA GLY A 47 5.240 19.577 -20.053 1.00 3.13 C ATOM 701 C GLY A 47 6.016 18.360 -19.687 1.00 35.10 C ATOM 702 O GLY A 47 6.245 18.104 -18.483 1.00 15.12 O ATOM 0 H GLY A 47 3.438 18.728 -20.607 1.00 1.45 H new ATOM 0 HA2 GLY A 47 5.918 20.310 -20.489 1.00 3.13 H new ATOM 0 HA3 GLY A 47 4.831 20.021 -19.146 1.00 3.13 H new ATOM 706 N ASN A 48 6.351 17.540 -20.675 1.00 25.30 N ATOM 707 CA ASN A 48 7.289 16.460 -20.411 1.00 20.40 C ATOM 708 C ASN A 48 8.632 17.108 -20.205 1.00 3.42 C ATOM 709 O ASN A 48 9.331 17.441 -21.151 1.00 62.41 O ATOM 710 CB ASN A 48 7.379 15.413 -21.524 1.00 12.30 C ATOM 711 CG ASN A 48 8.319 14.283 -21.102 1.00 54.13 C ATOM 712 OD1 ASN A 48 8.447 13.991 -19.921 1.00 11.23 O ATOM 713 ND2 ASN A 48 8.963 13.644 -22.033 1.00 43.15 N ATOM 0 H ASN A 48 6.002 17.597 -21.632 1.00 25.30 H new ATOM 0 HA ASN A 48 6.943 15.907 -19.538 1.00 20.40 H new ATOM 0 HB2 ASN A 48 6.388 15.012 -21.739 1.00 12.30 H new ATOM 0 HB3 ASN A 48 7.742 15.876 -22.442 1.00 12.30 H new ATOM 0 HD21 ASN A 48 9.592 12.880 -21.786 1.00 43.15 H new ATOM 0 HD22 ASN A 48 8.839 13.906 -23.011 1.00 43.15 H new ATOM 720 N ASN A 49 8.943 17.304 -18.975 1.00 3.25 N ATOM 721 CA ASN A 49 10.038 18.059 -18.488 1.00 41.21 C ATOM 722 C ASN A 49 10.547 17.442 -17.233 1.00 3.53 C ATOM 723 O ASN A 49 9.790 17.324 -16.254 1.00 45.21 O ATOM 724 CB ASN A 49 9.511 19.455 -18.128 1.00 41.53 C ATOM 725 CG ASN A 49 10.518 20.337 -17.407 1.00 65.13 C ATOM 726 OD1 ASN A 49 11.706 20.223 -17.591 1.00 41.11 O ATOM 727 ND2 ASN A 49 10.021 21.204 -16.559 1.00 54.41 N ATOM 0 H ASN A 49 8.388 16.905 -18.218 1.00 3.25 H new ATOM 0 HA ASN A 49 10.829 18.098 -19.237 1.00 41.21 H new ATOM 0 HB2 ASN A 49 9.194 19.958 -19.042 1.00 41.53 H new ATOM 0 HB3 ASN A 49 8.626 19.346 -17.501 1.00 41.53 H new ATOM 0 HD21 ASN A 49 10.644 21.812 -16.027 1.00 54.41 H new ATOM 0 HD22 ASN A 49 9.011 21.271 -16.431 1.00 54.41 H new ATOM 734 N PHE A 50 11.768 17.022 -17.224 1.00 60.50 N ATOM 735 CA PHE A 50 12.381 16.622 -16.007 1.00 11.12 C ATOM 736 C PHE A 50 13.472 17.647 -15.783 1.00 12.04 C ATOM 737 O PHE A 50 14.213 17.966 -16.704 1.00 24.14 O ATOM 738 CB PHE A 50 12.908 15.138 -16.074 1.00 41.24 C ATOM 739 CG PHE A 50 11.819 14.186 -16.487 1.00 41.44 C ATOM 740 CD1 PHE A 50 10.761 13.907 -15.636 1.00 14.41 C ATOM 741 CD2 PHE A 50 11.835 13.602 -17.744 1.00 13.33 C ATOM 742 CE1 PHE A 50 9.737 13.065 -16.032 1.00 60.23 C ATOM 743 CE2 PHE A 50 10.822 12.756 -18.143 1.00 11.41 C ATOM 744 CZ PHE A 50 9.768 12.489 -17.288 1.00 51.42 C ATOM 0 H PHE A 50 12.361 16.948 -18.051 1.00 60.50 H new ATOM 0 HA PHE A 50 11.685 16.603 -15.168 1.00 11.12 H new ATOM 0 HB2 PHE A 50 13.735 15.076 -16.781 1.00 41.24 H new ATOM 0 HB3 PHE A 50 13.299 14.845 -15.100 1.00 41.24 H new ATOM 0 HD1 PHE A 50 10.736 14.352 -14.652 1.00 14.41 H new ATOM 0 HD2 PHE A 50 12.651 13.812 -18.419 1.00 13.33 H new ATOM 0 HE1 PHE A 50 8.916 12.858 -15.362 1.00 60.23 H new ATOM 0 HE2 PHE A 50 10.851 12.302 -19.123 1.00 11.41 H new ATOM 0 HZ PHE A 50 8.971 11.832 -17.601 1.00 51.42 H new ATOM 754 N SER A 51 13.570 18.187 -14.610 1.00 72.01 N ATOM 755 CA SER A 51 14.429 19.306 -14.312 1.00 23.35 C ATOM 756 C SER A 51 15.530 18.927 -13.354 1.00 74.45 C ATOM 757 O SER A 51 16.343 19.760 -12.948 1.00 60.13 O ATOM 758 CB SER A 51 13.554 20.440 -13.791 1.00 22.42 C ATOM 759 OG SER A 51 12.741 19.983 -12.713 1.00 15.12 O ATOM 0 H SER A 51 13.041 17.856 -13.803 1.00 72.01 H new ATOM 0 HA SER A 51 14.944 19.638 -15.214 1.00 23.35 H new ATOM 0 HB2 SER A 51 14.180 21.268 -13.458 1.00 22.42 H new ATOM 0 HB3 SER A 51 12.924 20.821 -14.595 1.00 22.42 H new ATOM 0 HG SER A 51 12.185 20.721 -12.387 1.00 15.12 H new ATOM 765 N ARG A 52 15.566 17.689 -13.007 1.00 62.42 N ATOM 766 CA ARG A 52 16.552 17.176 -12.136 1.00 13.31 C ATOM 767 C ARG A 52 17.179 16.023 -12.811 1.00 43.21 C ATOM 768 O ARG A 52 16.485 15.116 -13.313 1.00 42.31 O ATOM 769 CB ARG A 52 15.952 16.762 -10.791 1.00 31.15 C ATOM 770 CG ARG A 52 15.421 17.906 -9.947 1.00 10.20 C ATOM 771 CD ARG A 52 16.582 18.741 -9.443 1.00 42.34 C ATOM 772 NE ARG A 52 16.173 19.866 -8.609 1.00 34.02 N ATOM 773 CZ ARG A 52 16.732 20.180 -7.430 1.00 3.23 C ATOM 774 NH1 ARG A 52 17.606 19.350 -6.853 1.00 14.30 N ATOM 775 NH2 ARG A 52 16.406 21.310 -6.820 1.00 41.32 N ATOM 0 H ARG A 52 14.894 16.993 -13.330 1.00 62.42 H new ATOM 0 HA ARG A 52 17.294 17.944 -11.919 1.00 13.31 H new ATOM 0 HB2 ARG A 52 15.140 16.058 -10.974 1.00 31.15 H new ATOM 0 HB3 ARG A 52 16.713 16.231 -10.219 1.00 31.15 H new ATOM 0 HG2 ARG A 52 14.744 18.524 -10.537 1.00 10.20 H new ATOM 0 HG3 ARG A 52 14.847 17.516 -9.106 1.00 10.20 H new ATOM 0 HD2 ARG A 52 17.257 18.103 -8.873 1.00 42.34 H new ATOM 0 HD3 ARG A 52 17.145 19.118 -10.297 1.00 42.34 H new ATOM 0 HE ARG A 52 15.410 20.454 -8.945 1.00 34.02 H new ATOM 0 HH11 ARG A 52 17.852 18.471 -7.309 1.00 14.30 H new ATOM 0 HH12 ARG A 52 18.027 19.595 -5.957 1.00 14.30 H new ATOM 0 HH21 ARG A 52 15.729 21.943 -7.246 1.00 41.32 H new ATOM 0 HH22 ARG A 52 16.832 21.547 -5.924 1.00 41.32 H new ATOM 789 N THR A 53 18.487 16.080 -12.868 1.00 42.02 N ATOM 790 CA THR A 53 19.303 15.074 -13.477 1.00 23.42 C ATOM 791 C THR A 53 19.052 13.718 -12.820 1.00 54.34 C ATOM 792 O THR A 53 18.986 12.714 -13.492 1.00 12.53 O ATOM 793 CB THR A 53 20.791 15.479 -13.377 1.00 52.11 C ATOM 794 OG1 THR A 53 20.971 16.764 -14.029 1.00 30.12 O ATOM 795 CG2 THR A 53 21.703 14.444 -14.037 1.00 12.32 C ATOM 0 H THR A 53 19.024 16.855 -12.478 1.00 42.02 H new ATOM 0 HA THR A 53 19.041 14.986 -14.531 1.00 23.42 H new ATOM 0 HB THR A 53 21.061 15.539 -12.323 1.00 52.11 H new ATOM 0 HG1 THR A 53 21.912 17.032 -13.970 1.00 30.12 H new ATOM 0 HG21 THR A 53 22.741 14.764 -13.946 1.00 12.32 H new ATOM 0 HG22 THR A 53 21.576 13.480 -13.544 1.00 12.32 H new ATOM 0 HG23 THR A 53 21.443 14.350 -15.091 1.00 12.32 H new ATOM 803 N ASN A 54 18.842 13.719 -11.515 1.00 32.42 N ATOM 804 CA ASN A 54 18.558 12.479 -10.786 1.00 41.41 C ATOM 805 C ASN A 54 17.112 12.047 -10.987 1.00 10.14 C ATOM 806 O ASN A 54 16.782 10.875 -10.843 1.00 2.44 O ATOM 807 CB ASN A 54 18.864 12.598 -9.275 1.00 55.43 C ATOM 808 CG ASN A 54 20.339 12.816 -8.950 1.00 20.03 C ATOM 809 OD1 ASN A 54 21.078 13.459 -9.704 1.00 65.42 O ATOM 810 ND2 ASN A 54 20.783 12.293 -7.837 1.00 21.20 N ATOM 0 H ASN A 54 18.861 14.557 -10.934 1.00 32.42 H new ATOM 0 HA ASN A 54 19.221 11.720 -11.200 1.00 41.41 H new ATOM 0 HB2 ASN A 54 18.287 13.426 -8.863 1.00 55.43 H new ATOM 0 HB3 ASN A 54 18.523 11.692 -8.774 1.00 55.43 H new ATOM 0 HD21 ASN A 54 21.761 12.411 -7.573 1.00 21.20 H new ATOM 0 HD22 ASN A 54 20.151 11.767 -7.233 1.00 21.20 H new ATOM 817 N ASP A 55 16.276 12.973 -11.422 1.00 25.32 N ATOM 818 CA ASP A 55 14.855 12.669 -11.571 1.00 20.54 C ATOM 819 C ASP A 55 14.475 12.120 -12.891 1.00 52.13 C ATOM 820 O ASP A 55 13.520 11.361 -12.963 1.00 34.04 O ATOM 821 CB ASP A 55 13.878 13.765 -11.108 1.00 21.44 C ATOM 822 CG ASP A 55 13.868 13.982 -9.612 1.00 20.23 C ATOM 823 OD1 ASP A 55 14.855 14.457 -9.052 1.00 13.50 O ATOM 824 OD2 ASP A 55 12.850 13.646 -8.966 1.00 15.14 O ATOM 0 H ASP A 55 16.544 13.924 -11.675 1.00 25.32 H new ATOM 0 HA ASP A 55 14.735 11.860 -10.850 1.00 20.54 H new ATOM 0 HB2 ASP A 55 14.139 14.702 -11.600 1.00 21.44 H new ATOM 0 HB3 ASP A 55 12.872 13.503 -11.434 1.00 21.44 H new ATOM 829 N CYS A 56 15.172 12.488 -13.970 1.00 63.33 N ATOM 830 CA CYS A 56 14.885 11.842 -15.229 1.00 51.21 C ATOM 831 C CYS A 56 15.243 10.391 -15.063 1.00 65.53 C ATOM 832 O CYS A 56 14.527 9.515 -15.523 1.00 4.20 O ATOM 833 CB CYS A 56 15.706 12.401 -16.456 1.00 12.32 C ATOM 834 SG CYS A 56 17.539 12.129 -16.524 1.00 74.41 S ATOM 0 H CYS A 56 15.904 13.198 -13.990 1.00 63.33 H new ATOM 0 HA CYS A 56 13.834 12.022 -15.454 1.00 51.21 H new ATOM 0 HB2 CYS A 56 15.277 11.969 -17.360 1.00 12.32 H new ATOM 0 HB3 CYS A 56 15.533 13.476 -16.503 1.00 12.32 H new ATOM 839 N ARG A 57 16.336 10.159 -14.372 1.00 22.44 N ATOM 840 CA ARG A 57 16.821 8.824 -14.099 1.00 54.52 C ATOM 841 C ARG A 57 15.763 8.018 -13.331 1.00 1.25 C ATOM 842 O ARG A 57 15.548 6.845 -13.618 1.00 64.41 O ATOM 843 CB ARG A 57 18.101 8.923 -13.306 1.00 71.43 C ATOM 844 CG ARG A 57 19.133 9.779 -13.966 1.00 11.31 C ATOM 845 CD ARG A 57 20.417 9.742 -13.167 1.00 35.35 C ATOM 846 NE ARG A 57 21.117 8.453 -13.229 1.00 63.22 N ATOM 847 CZ ARG A 57 21.341 7.641 -12.178 1.00 1.43 C ATOM 848 NH1 ARG A 57 20.777 7.892 -10.998 1.00 71.42 N ATOM 849 NH2 ARG A 57 22.130 6.583 -12.323 1.00 64.12 N ATOM 0 H ARG A 57 16.919 10.898 -13.980 1.00 22.44 H new ATOM 0 HA ARG A 57 17.018 8.304 -15.037 1.00 54.52 H new ATOM 0 HB2 ARG A 57 17.879 9.327 -12.318 1.00 71.43 H new ATOM 0 HB3 ARG A 57 18.508 7.923 -13.157 1.00 71.43 H new ATOM 0 HG2 ARG A 57 19.315 9.427 -14.981 1.00 11.31 H new ATOM 0 HG3 ARG A 57 18.772 10.805 -14.044 1.00 11.31 H new ATOM 0 HD2 ARG A 57 21.083 10.524 -13.531 1.00 35.35 H new ATOM 0 HD3 ARG A 57 20.193 9.973 -12.126 1.00 35.35 H new ATOM 0 HE ARG A 57 21.461 8.148 -14.140 1.00 63.22 H new ATOM 0 HH11 ARG A 57 20.170 8.704 -10.885 1.00 71.42 H new ATOM 0 HH12 ARG A 57 20.952 7.272 -10.207 1.00 71.42 H new ATOM 0 HH21 ARG A 57 22.562 6.389 -13.226 1.00 64.12 H new ATOM 0 HH22 ARG A 57 22.304 5.964 -11.531 1.00 64.12 H new ATOM 863 N GLN A 58 15.121 8.672 -12.348 1.00 51.31 N ATOM 864 CA GLN A 58 14.021 8.061 -11.544 1.00 20.12 C ATOM 865 C GLN A 58 12.998 7.476 -12.404 1.00 22.14 C ATOM 866 O GLN A 58 12.710 6.283 -12.330 1.00 1.21 O ATOM 867 CB GLN A 58 13.341 9.061 -10.652 1.00 62.11 C ATOM 868 CG GLN A 58 14.234 9.669 -9.578 1.00 20.25 C ATOM 869 CD GLN A 58 14.822 8.615 -8.649 1.00 42.40 C ATOM 870 OE1 GLN A 58 15.902 8.080 -8.900 1.00 5.43 O ATOM 871 NE2 GLN A 58 14.127 8.300 -7.592 1.00 40.55 N ATOM 0 H GLN A 58 15.339 9.632 -12.081 1.00 51.31 H new ATOM 0 HA GLN A 58 14.497 7.293 -10.935 1.00 20.12 H new ATOM 0 HB2 GLN A 58 12.940 9.865 -11.270 1.00 62.11 H new ATOM 0 HB3 GLN A 58 12.492 8.578 -10.168 1.00 62.11 H new ATOM 0 HG2 GLN A 58 15.043 10.223 -10.053 1.00 20.25 H new ATOM 0 HG3 GLN A 58 13.658 10.385 -8.992 1.00 20.25 H new ATOM 0 HE21 GLN A 58 13.235 8.762 -7.412 1.00 40.55 H new ATOM 0 HE22 GLN A 58 14.475 7.592 -6.945 1.00 40.55 H new ATOM 880 N THR A 59 12.408 8.352 -13.101 1.00 25.14 N ATOM 881 CA THR A 59 11.566 8.153 -14.141 1.00 74.43 C ATOM 882 C THR A 59 12.024 6.987 -15.011 1.00 71.44 C ATOM 883 O THR A 59 11.572 5.855 -14.818 1.00 63.00 O ATOM 884 CB THR A 59 11.746 9.536 -14.809 1.00 21.53 C ATOM 885 OG1 THR A 59 11.223 10.570 -13.982 1.00 1.14 O ATOM 886 CG2 THR A 59 11.339 9.701 -16.200 1.00 11.35 C ATOM 0 H THR A 59 12.538 9.346 -12.910 1.00 25.14 H new ATOM 0 HA THR A 59 10.537 7.879 -13.910 1.00 74.43 H new ATOM 0 HB THR A 59 12.830 9.614 -14.893 1.00 21.53 H new ATOM 0 HG1 THR A 59 11.942 11.189 -13.738 1.00 1.14 H new ATOM 0 HG21 THR A 59 11.531 10.726 -16.516 1.00 11.35 H new ATOM 0 HG22 THR A 59 11.906 9.015 -16.829 1.00 11.35 H new ATOM 0 HG23 THR A 59 10.275 9.485 -16.296 1.00 11.35 H new ATOM 894 N CYS A 60 12.903 7.225 -15.850 1.00 31.11 N ATOM 895 CA CYS A 60 13.120 6.298 -16.938 1.00 33.23 C ATOM 896 C CYS A 60 14.265 6.660 -17.729 1.00 14.34 C ATOM 897 O CYS A 60 14.079 7.187 -18.766 1.00 61.34 O ATOM 898 CB CYS A 60 11.962 6.353 -17.938 1.00 25.31 C ATOM 899 SG CYS A 60 10.302 5.821 -17.446 1.00 21.44 S ATOM 0 H CYS A 60 13.511 8.044 -15.845 1.00 31.11 H new ATOM 0 HA CYS A 60 13.236 5.323 -16.465 1.00 33.23 H new ATOM 0 HB2 CYS A 60 11.881 7.384 -18.282 1.00 25.31 H new ATOM 0 HB3 CYS A 60 12.251 5.751 -18.800 1.00 25.31 H new