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= -0.827 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 159:sc= 0.11 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.095) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 12:sc= 0.388 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -1.44 K(o=-1.4,f=-0.18) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 165:sc= -0.184 USER MOD Single : A 29 ASN : amide:sc= -6.4! C(o=-6.4!,f=-9.9!) USER MOD Single : A 30 SER OG : rot -109:sc= 1.22 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 K(o=0,f=-0.83) USER MOD Single : A 37 THR OG1 : rot 180:sc=0.000722 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= 0.161 K(o=0.16,f=-1.2) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 48 ASN : amide:sc= -0.708 K(o=-0.71,f=-1.3) USER MOD Single : A 49 ASN : amide:sc= -1.88! C(o=-1.9!,f=-6.8!) 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 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= 0.0597 K(o=0.06,f=-0.49) USER MOD Single : A 59 THR OG1 : rot 98:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 9 4.635 10.086 -19.764 1.00 60.15 N ATOM 135 CA TYR A 9 5.515 11.207 -19.734 1.00 21.52 C ATOM 136 C TYR A 9 6.884 10.858 -20.158 1.00 62.33 C ATOM 137 O TYR A 9 7.376 11.506 -21.042 1.00 14.04 O ATOM 138 CB TYR A 9 5.537 11.826 -18.351 1.00 53.11 C ATOM 139 CG TYR A 9 4.252 12.485 -17.981 1.00 41.22 C ATOM 140 CD1 TYR A 9 3.393 12.893 -18.976 1.00 72.24 C ATOM 141 CD2 TYR A 9 3.920 12.748 -16.663 1.00 21.35 C ATOM 142 CE1 TYR A 9 2.213 13.550 -18.677 1.00 54.34 C ATOM 143 CE2 TYR A 9 2.755 13.412 -16.346 1.00 33.33 C ATOM 144 CZ TYR A 9 1.903 13.812 -17.354 1.00 3.33 C ATOM 145 OH TYR A 9 0.746 14.499 -17.035 1.00 75.45 O ATOM 0 HA TYR A 9 5.130 11.934 -20.449 1.00 21.52 H new ATOM 0 HB2 TYR A 9 5.765 11.053 -17.618 1.00 53.11 H new ATOM 0 HB3 TYR A 9 6.341 12.560 -18.301 1.00 53.11 H new ATOM 0 HD1 TYR A 9 3.645 12.697 -20.008 1.00 72.24 H new ATOM 0 HD2 TYR A 9 4.583 12.428 -15.873 1.00 21.35 H new ATOM 0 HE1 TYR A 9 1.542 13.855 -19.466 1.00 54.34 H new ATOM 0 HE2 TYR A 9 2.511 13.618 -15.314 1.00 33.33 H new ATOM 0 HH TYR A 9 0.681 14.596 -16.062 1.00 75.45 H new ATOM 155 N CYS A 10 7.496 9.769 -19.605 1.00 1.24 N ATOM 156 CA CYS A 10 8.819 9.340 -19.968 1.00 34.32 C ATOM 157 C CYS A 10 8.988 9.334 -21.474 1.00 0.24 C ATOM 158 O CYS A 10 9.882 9.939 -22.006 1.00 24.42 O ATOM 159 CB CYS A 10 8.982 7.889 -19.574 1.00 73.23 C ATOM 160 SG CYS A 10 8.935 7.631 -17.819 1.00 55.02 S ATOM 0 H CYS A 10 7.056 9.183 -18.895 1.00 1.24 H new ATOM 0 HA CYS A 10 9.527 10.012 -19.483 1.00 34.32 H new ATOM 0 HB2 CYS A 10 8.192 7.301 -20.042 1.00 73.23 H new ATOM 0 HB3 CYS A 10 9.930 7.518 -19.964 1.00 73.23 H new ATOM 165 N ASN A 11 8.018 8.787 -22.159 1.00 52.13 N ATOM 166 CA ASN A 11 8.180 8.487 -23.596 1.00 63.53 C ATOM 167 C ASN A 11 7.657 9.604 -24.480 1.00 54.52 C ATOM 168 O ASN A 11 7.625 9.466 -25.712 1.00 10.34 O ATOM 169 CB ASN A 11 7.534 7.201 -23.999 1.00 45.41 C ATOM 170 CG ASN A 11 7.972 5.996 -23.180 1.00 31.00 C ATOM 171 OD1 ASN A 11 7.452 5.762 -22.079 1.00 11.42 O ATOM 172 ND2 ASN A 11 8.823 5.175 -23.732 1.00 54.33 N ATOM 0 H ASN A 11 7.110 8.535 -21.770 1.00 52.13 H new ATOM 0 HA ASN A 11 9.256 8.391 -23.743 1.00 63.53 H new ATOM 0 HB2 ASN A 11 6.453 7.309 -23.915 1.00 45.41 H new ATOM 0 HB3 ASN A 11 7.754 7.011 -25.049 1.00 45.41 H new ATOM 0 HD21 ASN A 11 9.079 4.310 -23.256 1.00 54.33 H new ATOM 0 HD22 ASN A 11 9.232 5.398 -24.639 1.00 54.33 H new ATOM 179 N LEU A 12 7.203 10.673 -23.888 1.00 62.31 N ATOM 180 CA LEU A 12 6.596 11.767 -24.640 1.00 30.13 C ATOM 181 C LEU A 12 7.647 12.741 -25.164 1.00 64.43 C ATOM 182 O LEU A 12 8.638 13.018 -24.497 1.00 44.00 O ATOM 183 CB LEU A 12 5.579 12.536 -23.781 1.00 24.44 C ATOM 184 CG LEU A 12 4.320 11.785 -23.351 1.00 11.15 C ATOM 185 CD1 LEU A 12 3.454 12.683 -22.488 1.00 1.14 C ATOM 186 CD2 LEU A 12 3.534 11.324 -24.568 1.00 42.45 C ATOM 0 H LEU A 12 7.236 10.823 -22.880 1.00 62.31 H new ATOM 0 HA LEU A 12 6.081 11.315 -25.488 1.00 30.13 H new ATOM 0 HB2 LEU A 12 6.089 12.883 -22.882 1.00 24.44 H new ATOM 0 HB3 LEU A 12 5.271 13.423 -24.335 1.00 24.44 H new ATOM 0 HG LEU A 12 4.616 10.909 -22.775 1.00 11.15 H new ATOM 0 HD11 LEU A 12 2.558 12.142 -22.185 1.00 1.14 H new ATOM 0 HD12 LEU A 12 4.013 12.985 -21.602 1.00 1.14 H new ATOM 0 HD13 LEU A 12 3.168 13.568 -23.056 1.00 1.14 H new ATOM 0 HD21 LEU A 12 2.640 10.791 -24.243 1.00 42.45 H new ATOM 0 HD22 LEU A 12 3.244 12.190 -25.163 1.00 42.45 H new ATOM 0 HD23 LEU A 12 4.153 10.660 -25.171 1.00 42.45 H new ATOM 198 N PRO A 13 7.456 13.245 -26.388 1.00 41.15 N ATOM 199 CA PRO A 13 8.318 14.280 -26.962 1.00 32.01 C ATOM 200 C PRO A 13 8.095 15.605 -26.229 1.00 20.42 C ATOM 201 O PRO A 13 6.994 15.871 -25.737 1.00 2.50 O ATOM 202 CB PRO A 13 7.814 14.407 -28.411 1.00 72.11 C ATOM 203 CG PRO A 13 6.965 13.210 -28.647 1.00 24.22 C ATOM 204 CD PRO A 13 6.396 12.840 -27.322 1.00 71.33 C ATOM 0 HA PRO A 13 9.379 14.039 -26.892 1.00 32.01 H new ATOM 0 HB2 PRO A 13 7.243 15.325 -28.548 1.00 72.11 H new ATOM 0 HB3 PRO A 13 8.647 14.441 -29.114 1.00 72.11 H new ATOM 0 HG2 PRO A 13 6.173 13.429 -29.364 1.00 24.22 H new ATOM 0 HG3 PRO A 13 7.553 12.391 -29.061 1.00 24.22 H new ATOM 0 HD2 PRO A 13 5.460 13.363 -27.123 1.00 71.33 H new ATOM 0 HD3 PRO A 13 6.185 11.773 -27.256 1.00 71.33 H new ATOM 212 N ALA A 14 9.134 16.406 -26.132 1.00 75.12 N ATOM 213 CA ALA A 14 9.033 17.681 -25.452 1.00 74.53 C ATOM 214 C ALA A 14 8.167 18.674 -26.253 1.00 51.44 C ATOM 215 O ALA A 14 8.132 18.605 -27.500 1.00 5.13 O ATOM 216 CB ALA A 14 10.406 18.245 -25.228 1.00 54.50 C ATOM 0 H ALA A 14 10.057 16.199 -26.514 1.00 75.12 H new ATOM 0 HA ALA A 14 8.548 17.521 -24.489 1.00 74.53 H new ATOM 0 HB1 ALA A 14 10.326 19.204 -24.716 1.00 54.50 H new ATOM 0 HB2 ALA A 14 10.988 17.555 -24.617 1.00 54.50 H new ATOM 0 HB3 ALA A 14 10.902 18.386 -26.188 1.00 54.50 H new ATOM 222 N ASP A 15 7.510 19.590 -25.560 1.00 73.23 N ATOM 223 CA ASP A 15 6.824 20.727 -26.161 1.00 71.03 C ATOM 224 C ASP A 15 7.199 21.975 -25.417 1.00 64.11 C ATOM 225 O ASP A 15 6.998 22.081 -24.212 1.00 73.23 O ATOM 226 CB ASP A 15 5.292 20.609 -26.285 1.00 62.11 C ATOM 227 CG ASP A 15 4.806 19.573 -27.271 1.00 62.24 C ATOM 228 OD1 ASP A 15 4.795 19.862 -28.497 1.00 70.54 O ATOM 229 OD2 ASP A 15 4.367 18.490 -26.879 1.00 11.10 O ATOM 0 H ASP A 15 7.436 19.565 -24.543 1.00 73.23 H new ATOM 0 HA ASP A 15 7.166 20.758 -27.196 1.00 71.03 H new ATOM 0 HB2 ASP A 15 4.881 20.374 -25.303 1.00 62.11 H new ATOM 0 HB3 ASP A 15 4.891 21.580 -26.575 1.00 62.11 H new ATOM 234 N SER A 16 7.818 22.877 -26.102 1.00 22.43 N ATOM 235 CA SER A 16 8.412 23.996 -25.460 1.00 50.31 C ATOM 236 C SER A 16 7.428 25.162 -25.166 1.00 61.24 C ATOM 237 O SER A 16 7.535 25.824 -24.130 1.00 11.45 O ATOM 238 CB SER A 16 9.637 24.459 -26.220 1.00 15.32 C ATOM 239 OG SER A 16 9.333 24.789 -27.578 1.00 31.44 O ATOM 0 H SER A 16 7.925 22.858 -27.116 1.00 22.43 H new ATOM 0 HA SER A 16 8.724 23.650 -24.475 1.00 50.31 H new ATOM 0 HB2 SER A 16 10.064 25.330 -25.723 1.00 15.32 H new ATOM 0 HB3 SER A 16 10.394 23.676 -26.198 1.00 15.32 H new ATOM 0 HG SER A 16 10.149 25.085 -28.033 1.00 31.44 H new ATOM 245 N GLY A 17 6.410 25.316 -26.003 1.00 54.53 N ATOM 246 CA GLY A 17 5.536 26.482 -25.890 1.00 62.01 C ATOM 247 C GLY A 17 6.210 27.736 -26.475 1.00 23.14 C ATOM 248 O GLY A 17 7.311 27.699 -27.041 1.00 42.12 O ATOM 0 H GLY A 17 6.170 24.666 -26.752 1.00 54.53 H new ATOM 0 HA2 GLY A 17 4.599 26.291 -26.413 1.00 62.01 H new ATOM 0 HA3 GLY A 17 5.287 26.654 -24.843 1.00 62.01 H new ATOM 252 N SER A 18 5.505 28.836 -26.259 1.00 73.42 N ATOM 253 CA SER A 18 5.898 30.086 -26.971 1.00 41.42 C ATOM 254 C SER A 18 6.855 30.903 -26.102 1.00 73.13 C ATOM 255 O SER A 18 7.303 32.006 -26.427 1.00 61.02 O ATOM 256 CB SER A 18 4.669 30.886 -27.362 1.00 11.00 C ATOM 257 OG SER A 18 3.863 31.142 -26.232 1.00 34.05 O ATOM 0 H SER A 18 4.700 28.912 -25.637 1.00 73.42 H new ATOM 0 HA SER A 18 6.421 29.825 -27.891 1.00 41.42 H new ATOM 0 HB2 SER A 18 4.972 31.827 -27.820 1.00 11.00 H new ATOM 0 HB3 SER A 18 4.094 30.338 -28.109 1.00 11.00 H new ATOM 0 HG SER A 18 2.954 31.364 -26.522 1.00 34.05 H new ATOM 263 N GLY A 19 7.146 30.281 -25.029 1.00 33.11 N ATOM 264 CA GLY A 19 8.200 30.767 -24.229 1.00 62.43 C ATOM 265 C GLY A 19 7.801 31.741 -23.198 1.00 1.33 C ATOM 266 O GLY A 19 6.951 32.596 -23.413 1.00 61.30 O ATOM 0 H GLY A 19 6.677 29.443 -24.685 1.00 33.11 H new ATOM 0 HA2 GLY A 19 8.685 29.922 -23.741 1.00 62.43 H new ATOM 0 HA3 GLY A 19 8.944 31.231 -24.877 1.00 62.43 H new ATOM 270 N THR A 20 8.372 31.572 -22.079 1.00 44.14 N ATOM 271 CA THR A 20 8.292 32.441 -20.981 1.00 11.44 C ATOM 272 C THR A 20 9.541 32.262 -20.121 1.00 22.52 C ATOM 273 O THR A 20 10.300 33.209 -19.930 1.00 32.33 O ATOM 274 CB THR A 20 6.918 32.243 -20.270 1.00 33.41 C ATOM 275 OG1 THR A 20 5.747 32.661 -20.951 1.00 54.40 O ATOM 276 CG2 THR A 20 6.688 30.826 -19.707 1.00 54.24 C ATOM 0 H THR A 20 8.955 30.757 -21.890 1.00 44.14 H new ATOM 0 HA THR A 20 8.299 33.492 -21.269 1.00 11.44 H new ATOM 0 HB THR A 20 7.053 32.953 -19.454 1.00 33.41 H new ATOM 0 HG1 THR A 20 5.965 32.859 -21.886 1.00 54.40 H new ATOM 0 HG21 THR A 20 5.709 30.778 -19.230 1.00 54.24 H new ATOM 0 HG22 THR A 20 6.732 30.100 -20.519 1.00 54.24 H new ATOM 0 HG23 THR A 20 7.460 30.596 -18.973 1.00 54.24 H new ATOM 284 N LYS A 21 9.770 31.095 -19.642 1.00 43.12 N ATOM 285 CA LYS A 21 11.048 30.883 -19.003 1.00 31.23 C ATOM 286 C LYS A 21 11.759 29.766 -19.738 1.00 13.43 C ATOM 287 O LYS A 21 11.461 28.607 -19.507 1.00 23.01 O ATOM 288 CB LYS A 21 10.904 30.531 -17.514 1.00 4.12 C ATOM 289 CG LYS A 21 10.109 31.539 -16.697 1.00 60.42 C ATOM 290 CD LYS A 21 10.183 31.225 -15.212 1.00 30.44 C ATOM 291 CE LYS A 21 11.567 31.529 -14.655 1.00 72.22 C ATOM 292 NZ LYS A 21 11.688 31.167 -13.232 1.00 44.43 N ATOM 0 H LYS A 21 9.135 30.297 -19.668 1.00 43.12 H new ATOM 0 HA LYS A 21 11.622 31.808 -19.049 1.00 31.23 H new ATOM 0 HB2 LYS A 21 10.424 29.556 -17.430 1.00 4.12 H new ATOM 0 HB3 LYS A 21 11.899 30.435 -17.079 1.00 4.12 H new ATOM 0 HG2 LYS A 21 10.494 32.542 -16.879 1.00 60.42 H new ATOM 0 HG3 LYS A 21 9.068 31.533 -17.021 1.00 60.42 H new ATOM 0 HD2 LYS A 21 9.436 31.810 -14.676 1.00 30.44 H new ATOM 0 HD3 LYS A 21 9.944 30.174 -15.047 1.00 30.44 H new ATOM 0 HE2 LYS A 21 12.316 30.985 -15.231 1.00 72.22 H new ATOM 0 HE3 LYS A 21 11.780 32.591 -14.777 1.00 72.22 H new ATOM 0 HZ1 LYS A 21 12.647 31.392 -12.897 1.00 44.43 H new ATOM 0 HZ2 LYS A 21 10.992 31.704 -12.677 1.00 44.43 H new ATOM 0 HZ3 LYS A 21 11.511 30.149 -13.117 1.00 44.43 H new ATOM 306 N PRO A 22 12.695 30.109 -20.651 1.00 44.32 N ATOM 307 CA PRO A 22 13.462 29.124 -21.415 1.00 33.54 C ATOM 308 C PRO A 22 14.563 28.542 -20.552 1.00 14.24 C ATOM 309 O PRO A 22 15.487 29.251 -20.125 1.00 5.13 O ATOM 310 CB PRO A 22 14.066 29.945 -22.576 1.00 53.14 C ATOM 311 CG PRO A 22 13.468 31.315 -22.458 1.00 54.11 C ATOM 312 CD PRO A 22 13.072 31.476 -21.023 1.00 25.22 C ATOM 0 HA PRO A 22 12.856 28.287 -21.762 1.00 33.54 H new ATOM 0 HB2 PRO A 22 15.153 29.985 -22.504 1.00 53.14 H new ATOM 0 HB3 PRO A 22 13.827 29.495 -23.540 1.00 53.14 H new ATOM 0 HG2 PRO A 22 14.187 32.080 -22.752 1.00 54.11 H new ATOM 0 HG3 PRO A 22 12.604 31.421 -23.114 1.00 54.11 H new ATOM 0 HD2 PRO A 22 13.894 31.852 -20.414 1.00 25.22 H new ATOM 0 HD3 PRO A 22 12.243 32.174 -20.905 1.00 25.22 H new ATOM 320 N GLU A 23 14.480 27.289 -20.273 1.00 0.24 N ATOM 321 CA GLU A 23 15.391 26.658 -19.373 1.00 74.23 C ATOM 322 C GLU A 23 15.941 25.417 -20.028 1.00 13.34 C ATOM 323 O GLU A 23 15.455 24.991 -21.099 1.00 2.21 O ATOM 324 CB GLU A 23 14.612 26.208 -18.138 1.00 24.44 C ATOM 325 CG GLU A 23 13.818 27.295 -17.445 1.00 34.40 C ATOM 326 CD GLU A 23 13.010 26.745 -16.314 1.00 25.10 C ATOM 327 OE1 GLU A 23 12.141 25.876 -16.544 1.00 53.24 O ATOM 328 OE2 GLU A 23 13.257 27.115 -15.149 1.00 70.55 O ATOM 0 H GLU A 23 13.774 26.665 -20.664 1.00 0.24 H new ATOM 0 HA GLU A 23 16.192 27.349 -19.110 1.00 74.23 H new ATOM 0 HB2 GLU A 23 13.928 25.411 -18.430 1.00 24.44 H new ATOM 0 HB3 GLU A 23 15.313 25.780 -17.422 1.00 24.44 H new ATOM 0 HG2 GLU A 23 14.497 28.061 -17.070 1.00 34.40 H new ATOM 0 HG3 GLU A 23 13.157 27.779 -18.164 1.00 34.40 H new ATOM 335 N GLN A 24 16.922 24.828 -19.404 1.00 31.41 N ATOM 336 CA GLN A 24 17.331 23.522 -19.748 1.00 62.00 C ATOM 337 C GLN A 24 16.526 22.636 -18.917 1.00 33.31 C ATOM 338 O GLN A 24 16.514 22.806 -17.700 1.00 15.15 O ATOM 339 CB GLN A 24 18.802 23.263 -19.575 1.00 75.43 C ATOM 340 CG GLN A 24 19.662 24.047 -20.513 1.00 60.21 C ATOM 341 CD GLN A 24 19.892 25.523 -20.137 1.00 15.10 C ATOM 342 OE1 GLN A 24 20.108 26.371 -21.006 1.00 74.13 O ATOM 343 NE2 GLN A 24 19.817 25.848 -18.877 1.00 11.30 N ATOM 0 H GLN A 24 17.453 25.252 -18.643 1.00 31.41 H new ATOM 0 HA GLN A 24 17.175 23.355 -20.814 1.00 62.00 H new ATOM 0 HB2 GLN A 24 19.086 23.501 -18.550 1.00 75.43 H new ATOM 0 HB3 GLN A 24 18.995 22.200 -19.721 1.00 75.43 H new ATOM 0 HG2 GLN A 24 20.632 23.555 -20.584 1.00 60.21 H new ATOM 0 HG3 GLN A 24 19.212 24.010 -21.505 1.00 60.21 H new ATOM 0 HE21 GLN A 24 19.637 25.130 -18.175 1.00 11.30 H new ATOM 0 HE22 GLN A 24 19.938 26.820 -18.593 1.00 11.30 H new ATOM 352 N ARG A 25 15.936 21.673 -19.479 1.00 13.23 N ATOM 353 CA ARG A 25 15.179 20.698 -18.743 1.00 53.33 C ATOM 354 C ARG A 25 15.493 19.408 -19.315 1.00 51.11 C ATOM 355 O ARG A 25 16.202 19.374 -20.288 1.00 62.33 O ATOM 356 CB ARG A 25 13.714 20.972 -18.815 1.00 20.33 C ATOM 357 CG ARG A 25 13.319 22.292 -18.116 1.00 0.22 C ATOM 358 CD ARG A 25 13.802 22.238 -16.685 1.00 64.40 C ATOM 359 NE ARG A 25 13.664 23.477 -15.909 1.00 24.32 N ATOM 360 CZ ARG A 25 14.324 23.693 -14.743 1.00 12.32 C ATOM 361 NH1 ARG A 25 15.159 22.767 -14.265 1.00 61.01 N ATOM 362 NH2 ARG A 25 14.190 24.832 -14.094 1.00 14.02 N ATOM 0 H ARG A 25 15.950 21.514 -20.486 1.00 13.23 H new ATOM 0 HA ARG A 25 15.442 20.731 -17.686 1.00 53.33 H new ATOM 0 HB2 ARG A 25 13.407 21.013 -19.860 1.00 20.33 H new ATOM 0 HB3 ARG A 25 13.171 20.146 -18.356 1.00 20.33 H new ATOM 0 HG2 ARG A 25 13.762 23.143 -18.634 1.00 0.22 H new ATOM 0 HG3 ARG A 25 12.238 22.428 -18.146 1.00 0.22 H new ATOM 0 HD2 ARG A 25 13.257 21.447 -16.169 1.00 64.40 H new ATOM 0 HD3 ARG A 25 14.853 21.951 -16.688 1.00 64.40 H new ATOM 0 HE ARG A 25 13.045 24.207 -16.262 1.00 24.32 H new ATOM 0 HH11 ARG A 25 15.301 21.896 -14.776 1.00 61.01 H new ATOM 0 HH12 ARG A 25 15.654 22.931 -13.389 1.00 61.01 H new ATOM 0 HH21 ARG A 25 13.585 25.563 -14.467 1.00 14.02 H new ATOM 0 HH22 ARG A 25 14.691 24.982 -13.219 1.00 14.02 H new ATOM 376 N ILE A 26 14.966 18.346 -18.788 1.00 44.12 N ATOM 377 CA ILE A 26 15.470 17.078 -19.179 1.00 14.33 C ATOM 378 C ILE A 26 14.300 16.049 -19.299 1.00 44.01 C ATOM 379 O ILE A 26 13.421 16.022 -18.454 1.00 54.54 O ATOM 380 CB ILE A 26 16.431 16.581 -18.052 1.00 63.31 C ATOM 381 CG1 ILE A 26 17.474 17.630 -17.681 1.00 43.40 C ATOM 382 CG2 ILE A 26 17.203 15.426 -18.587 1.00 5.12 C ATOM 383 CD1 ILE A 26 18.102 17.390 -16.344 1.00 1.14 C ATOM 0 H ILE A 26 14.208 18.335 -18.105 1.00 44.12 H new ATOM 0 HA ILE A 26 15.980 17.165 -20.139 1.00 14.33 H new ATOM 0 HB ILE A 26 15.820 16.342 -17.181 1.00 63.31 H new ATOM 0 HG12 ILE A 26 18.253 17.644 -18.444 1.00 43.40 H new ATOM 0 HG13 ILE A 26 17.007 18.615 -17.684 1.00 43.40 H new ATOM 0 HG21 ILE A 26 17.884 15.057 -17.820 1.00 5.12 H new ATOM 0 HG22 ILE A 26 16.515 14.631 -18.875 1.00 5.12 H new ATOM 0 HG23 ILE A 26 17.776 15.743 -19.458 1.00 5.12 H new ATOM 0 HD11 ILE A 26 18.834 18.171 -16.141 1.00 1.14 H new ATOM 0 HD12 ILE A 26 17.332 17.405 -15.573 1.00 1.14 H new ATOM 0 HD13 ILE A 26 18.598 16.419 -16.344 1.00 1.14 H new ATOM 395 N TYR A 27 14.278 15.265 -20.352 1.00 52.02 N ATOM 396 CA TYR A 27 13.122 14.410 -20.679 1.00 2.43 C ATOM 397 C TYR A 27 13.690 13.080 -21.199 1.00 64.53 C ATOM 398 O TYR A 27 14.846 13.027 -21.662 1.00 50.32 O ATOM 399 CB TYR A 27 12.254 15.092 -21.789 1.00 4.45 C ATOM 400 CG TYR A 27 12.911 15.194 -23.148 1.00 41.12 C ATOM 401 CD1 TYR A 27 13.743 16.241 -23.466 1.00 40.44 C ATOM 402 CD2 TYR A 27 12.688 14.219 -24.113 1.00 42.33 C ATOM 403 CE1 TYR A 27 14.339 16.308 -24.709 1.00 12.34 C ATOM 404 CE2 TYR A 27 13.282 14.289 -25.347 1.00 62.12 C ATOM 405 CZ TYR A 27 14.111 15.335 -25.634 1.00 55.33 C ATOM 406 OH TYR A 27 14.711 15.425 -26.872 1.00 73.25 O ATOM 0 H TYR A 27 15.050 15.190 -21.014 1.00 52.02 H new ATOM 0 HA TYR A 27 12.489 14.251 -19.806 1.00 2.43 H new ATOM 0 HB2 TYR A 27 11.323 14.534 -21.894 1.00 4.45 H new ATOM 0 HB3 TYR A 27 11.989 16.095 -21.455 1.00 4.45 H new ATOM 0 HD1 TYR A 27 13.932 17.016 -22.738 1.00 40.44 H new ATOM 0 HD2 TYR A 27 12.034 13.390 -23.887 1.00 42.33 H new ATOM 0 HE1 TYR A 27 14.989 17.136 -24.949 1.00 12.34 H new ATOM 0 HE2 TYR A 27 13.096 13.523 -26.085 1.00 62.12 H new ATOM 0 HH TYR A 27 14.450 14.654 -27.419 1.00 73.25 H new ATOM 416 N TYR A 28 12.906 11.995 -21.096 1.00 73.30 N ATOM 417 CA TYR A 28 13.309 10.676 -21.553 1.00 24.52 C ATOM 418 C TYR A 28 13.115 10.579 -23.050 1.00 13.33 C ATOM 419 O TYR A 28 12.082 10.960 -23.601 1.00 72.22 O ATOM 420 CB TYR A 28 12.503 9.560 -20.827 1.00 33.51 C ATOM 421 CG TYR A 28 12.687 8.113 -21.312 1.00 43.41 C ATOM 422 CD1 TYR A 28 13.785 7.349 -20.994 1.00 32.52 C ATOM 423 CD2 TYR A 28 11.682 7.505 -22.028 1.00 30.13 C ATOM 424 CE1 TYR A 28 13.855 6.020 -21.378 1.00 51.22 C ATOM 425 CE2 TYR A 28 11.746 6.197 -22.425 1.00 32.21 C ATOM 426 CZ TYR A 28 12.827 5.455 -22.092 1.00 22.23 C ATOM 427 OH TYR A 28 12.875 4.127 -22.447 1.00 44.34 O ATOM 0 H TYR A 28 11.971 12.019 -20.689 1.00 73.30 H new ATOM 0 HA TYR A 28 14.363 10.532 -21.315 1.00 24.52 H new ATOM 0 HB2 TYR A 28 12.762 9.594 -19.769 1.00 33.51 H new ATOM 0 HB3 TYR A 28 11.444 9.807 -20.904 1.00 33.51 H new ATOM 0 HD1 TYR A 28 14.601 7.789 -20.440 1.00 32.52 H new ATOM 0 HD2 TYR A 28 10.807 8.083 -22.287 1.00 30.13 H new ATOM 0 HE1 TYR A 28 14.719 5.427 -21.116 1.00 51.22 H new ATOM 0 HE2 TYR A 28 10.941 5.761 -22.999 1.00 32.21 H new ATOM 0 HH TYR A 28 11.984 3.831 -22.729 1.00 44.34 H new ATOM 437 N ASN A 29 14.143 10.156 -23.664 1.00 42.43 N ATOM 438 CA ASN A 29 14.057 9.877 -25.081 1.00 33.21 C ATOM 439 C ASN A 29 13.207 8.657 -25.243 1.00 74.45 C ATOM 440 O ASN A 29 13.383 7.661 -24.581 1.00 53.41 O ATOM 441 CB ASN A 29 15.392 9.525 -25.650 1.00 5.10 C ATOM 442 CG ASN A 29 16.405 10.617 -25.632 1.00 70.43 C ATOM 443 OD1 ASN A 29 17.560 10.367 -25.390 1.00 43.41 O ATOM 444 ND2 ASN A 29 16.011 11.793 -26.016 1.00 11.34 N ATOM 0 H ASN A 29 15.054 9.989 -23.238 1.00 42.43 H new ATOM 0 HA ASN A 29 13.661 10.759 -25.584 1.00 33.21 H new ATOM 0 HB2 ASN A 29 15.790 8.674 -25.097 1.00 5.10 H new ATOM 0 HB3 ASN A 29 15.254 9.198 -26.681 1.00 5.10 H new ATOM 0 HD21 ASN A 29 16.688 12.548 -26.123 1.00 11.34 H new ATOM 0 HD22 ASN A 29 15.024 11.962 -26.210 1.00 11.34 H new ATOM 451 N SER A 30 12.411 8.731 -26.288 1.00 74.33 N ATOM 452 CA SER A 30 11.336 7.793 -26.587 1.00 14.32 C ATOM 453 C SER A 30 12.047 6.620 -27.299 1.00 63.25 C ATOM 454 O SER A 30 12.069 5.492 -26.835 1.00 42.30 O ATOM 455 CB SER A 30 10.371 8.468 -27.585 1.00 34.42 C ATOM 456 OG SER A 30 9.903 9.729 -27.091 1.00 61.51 O ATOM 0 H SER A 30 12.493 9.473 -26.983 1.00 74.33 H new ATOM 0 HA SER A 30 10.777 7.479 -25.706 1.00 14.32 H new ATOM 0 HB2 SER A 30 10.877 8.615 -28.539 1.00 34.42 H new ATOM 0 HB3 SER A 30 9.521 7.811 -27.772 1.00 34.42 H new ATOM 0 HG SER A 30 8.955 9.656 -26.852 1.00 61.51 H new ATOM 462 N ALA A 31 12.618 6.980 -28.463 1.00 64.43 N ATOM 463 CA ALA A 31 13.469 6.060 -29.246 1.00 21.00 C ATOM 464 C ALA A 31 14.644 5.541 -28.401 1.00 63.10 C ATOM 465 O ALA A 31 14.793 4.353 -28.125 1.00 22.32 O ATOM 466 CB ALA A 31 13.976 6.725 -30.515 1.00 54.40 C ATOM 0 H ALA A 31 12.506 7.902 -28.884 1.00 64.43 H new ATOM 0 HA ALA A 31 12.853 5.208 -29.534 1.00 21.00 H new ATOM 0 HB1 ALA A 31 14.599 6.023 -31.070 1.00 54.40 H new ATOM 0 HB2 ALA A 31 13.129 7.024 -31.132 1.00 54.40 H new ATOM 0 HB3 ALA A 31 14.564 7.605 -30.255 1.00 54.40 H new ATOM 472 N LYS A 32 15.449 6.527 -27.994 1.00 11.25 N ATOM 473 CA LYS A 32 16.867 6.329 -27.580 1.00 44.13 C ATOM 474 C LYS A 32 17.078 5.856 -26.162 1.00 72.03 C ATOM 475 O LYS A 32 18.141 5.372 -25.780 1.00 72.20 O ATOM 476 CB LYS A 32 17.622 7.642 -27.691 1.00 61.54 C ATOM 477 CG LYS A 32 17.512 8.312 -29.018 1.00 44.41 C ATOM 478 CD LYS A 32 18.457 9.489 -29.110 1.00 63.30 C ATOM 479 CE LYS A 32 18.249 10.261 -30.398 1.00 4.41 C ATOM 480 NZ LYS A 32 19.149 11.426 -30.507 1.00 73.24 N ATOM 0 H LYS A 32 15.145 7.499 -27.937 1.00 11.25 H new ATOM 0 HA LYS A 32 17.226 5.549 -28.251 1.00 44.13 H new ATOM 0 HB2 LYS A 32 17.254 8.323 -26.923 1.00 61.54 H new ATOM 0 HB3 LYS A 32 18.675 7.459 -27.477 1.00 61.54 H new ATOM 0 HG2 LYS A 32 17.737 7.598 -29.810 1.00 44.41 H new ATOM 0 HG3 LYS A 32 16.488 8.650 -29.175 1.00 44.41 H new ATOM 0 HD2 LYS A 32 18.302 10.150 -28.258 1.00 63.30 H new ATOM 0 HD3 LYS A 32 19.487 9.137 -29.057 1.00 63.30 H new ATOM 0 HE2 LYS A 32 18.414 9.597 -31.247 1.00 4.41 H new ATOM 0 HE3 LYS A 32 17.214 10.598 -30.453 1.00 4.41 H new ATOM 0 HZ1 LYS A 32 18.969 11.921 -31.404 1.00 73.24 H new ATOM 0 HZ2 LYS A 32 18.975 12.074 -29.713 1.00 73.24 H new ATOM 0 HZ3 LYS A 32 20.138 11.104 -30.482 1.00 73.24 H new ATOM 494 N LYS A 33 15.977 5.988 -25.444 1.00 13.11 N ATOM 495 CA LYS A 33 15.857 5.487 -24.079 1.00 30.21 C ATOM 496 C LYS A 33 16.952 6.042 -23.169 1.00 35.00 C ATOM 497 O LYS A 33 17.619 5.321 -22.453 1.00 14.14 O ATOM 498 CB LYS A 33 15.824 3.966 -24.097 1.00 33.53 C ATOM 499 CG LYS A 33 14.652 3.520 -24.911 1.00 54.12 C ATOM 500 CD LYS A 33 14.253 2.119 -24.682 1.00 43.01 C ATOM 501 CE LYS A 33 12.835 2.012 -25.139 1.00 31.44 C ATOM 502 NZ LYS A 33 12.263 0.675 -24.915 1.00 52.33 N ATOM 0 H LYS A 33 15.135 6.448 -25.790 1.00 13.11 H new ATOM 0 HA LYS A 33 14.918 5.841 -23.654 1.00 30.21 H new ATOM 0 HB2 LYS A 33 16.749 3.573 -24.520 1.00 33.53 H new ATOM 0 HB3 LYS A 33 15.748 3.578 -23.081 1.00 33.53 H new ATOM 0 HG2 LYS A 33 13.804 4.168 -24.691 1.00 54.12 H new ATOM 0 HG3 LYS A 33 14.887 3.651 -25.967 1.00 54.12 H new ATOM 0 HD2 LYS A 33 14.894 1.435 -25.238 1.00 43.01 H new ATOM 0 HD3 LYS A 33 14.344 1.855 -23.628 1.00 43.01 H new ATOM 0 HE2 LYS A 33 12.232 2.753 -24.614 1.00 31.44 H new ATOM 0 HE3 LYS A 33 12.781 2.252 -26.201 1.00 31.44 H new ATOM 0 HZ1 LYS A 33 11.279 0.658 -25.250 1.00 52.33 H new ATOM 0 HZ2 LYS A 33 12.819 -0.032 -25.437 1.00 52.33 H new ATOM 0 HZ3 LYS A 33 12.287 0.453 -23.899 1.00 52.33 H new ATOM 516 N GLN A 34 17.137 7.328 -23.294 1.00 52.25 N ATOM 517 CA GLN A 34 18.128 8.096 -22.548 1.00 5.15 C ATOM 518 C GLN A 34 17.388 9.247 -21.895 1.00 54.32 C ATOM 519 O GLN A 34 16.182 9.349 -22.035 1.00 74.51 O ATOM 520 CB GLN A 34 19.218 8.646 -23.478 1.00 63.23 C ATOM 521 CG GLN A 34 20.059 7.605 -24.183 1.00 3.13 C ATOM 522 CD GLN A 34 21.102 8.239 -25.076 1.00 45.32 C ATOM 523 OE1 GLN A 34 21.584 9.347 -24.808 1.00 22.40 O ATOM 524 NE2 GLN A 34 21.481 7.558 -26.117 1.00 62.32 N ATOM 0 H GLN A 34 16.589 7.900 -23.937 1.00 52.25 H new ATOM 0 HA GLN A 34 18.619 7.461 -21.810 1.00 5.15 H new ATOM 0 HB2 GLN A 34 18.745 9.276 -24.231 1.00 63.23 H new ATOM 0 HB3 GLN A 34 19.879 9.288 -22.895 1.00 63.23 H new ATOM 0 HG2 GLN A 34 20.549 6.972 -23.444 1.00 3.13 H new ATOM 0 HG3 GLN A 34 19.414 6.959 -24.779 1.00 3.13 H new ATOM 0 HE21 GLN A 34 21.064 6.647 -26.310 1.00 62.32 H new ATOM 0 HE22 GLN A 34 22.195 7.934 -26.740 1.00 62.32 H new ATOM 533 N CYS A 35 18.129 10.183 -21.319 1.00 22.42 N ATOM 534 CA CYS A 35 17.511 11.293 -20.607 1.00 30.00 C ATOM 535 C CYS A 35 18.275 12.454 -21.098 1.00 5.31 C ATOM 536 O CYS A 35 19.426 12.649 -20.675 1.00 50.44 O ATOM 537 CB CYS A 35 17.702 11.187 -19.063 1.00 52.33 C ATOM 538 SG CYS A 35 16.774 12.473 -18.113 1.00 11.14 S ATOM 0 H CYS A 35 19.149 10.197 -21.330 1.00 22.42 H new ATOM 0 HA CYS A 35 16.435 11.336 -20.777 1.00 30.00 H new ATOM 0 HB2 CYS A 35 17.380 10.200 -18.732 1.00 52.33 H new ATOM 0 HB3 CYS A 35 18.764 11.270 -18.830 1.00 52.33 H new ATOM 543 N VAL A 36 17.761 13.200 -22.024 1.00 42.44 N ATOM 544 CA VAL A 36 18.467 14.298 -22.584 1.00 23.12 C ATOM 545 C VAL A 36 17.723 15.581 -22.252 1.00 21.31 C ATOM 546 O VAL A 36 16.580 15.549 -21.808 1.00 2.44 O ATOM 547 CB VAL A 36 18.550 14.178 -24.135 1.00 24.22 C ATOM 548 CG1 VAL A 36 19.120 12.854 -24.566 1.00 44.33 C ATOM 549 CG2 VAL A 36 17.204 14.359 -24.770 1.00 62.11 C ATOM 0 H VAL A 36 16.829 13.059 -22.414 1.00 42.44 H new ATOM 0 HA VAL A 36 19.475 14.304 -22.170 1.00 23.12 H new ATOM 0 HB VAL A 36 19.217 14.973 -24.468 1.00 24.22 H new ATOM 0 HG11 VAL A 36 19.160 12.812 -25.654 1.00 44.33 H new ATOM 0 HG12 VAL A 36 20.126 12.742 -24.161 1.00 44.33 H new ATOM 0 HG13 VAL A 36 18.487 12.047 -24.195 1.00 44.33 H new ATOM 0 HG21 VAL A 36 17.297 14.269 -25.852 1.00 62.11 H new ATOM 0 HG22 VAL A 36 16.521 13.594 -24.400 1.00 62.11 H new ATOM 0 HG23 VAL A 36 16.813 15.345 -24.520 1.00 62.11 H new ATOM 559 N THR A 37 18.370 16.686 -22.457 1.00 74.15 N ATOM 560 CA THR A 37 17.779 17.965 -22.208 1.00 4.42 C ATOM 561 C THR A 37 16.931 18.491 -23.363 1.00 13.24 C ATOM 562 O THR A 37 17.097 18.081 -24.527 1.00 3.40 O ATOM 563 CB THR A 37 18.867 19.000 -21.816 1.00 61.54 C ATOM 564 OG1 THR A 37 19.904 19.017 -22.807 1.00 13.10 O ATOM 565 CG2 THR A 37 19.444 18.676 -20.463 1.00 24.45 C ATOM 0 H THR A 37 19.328 16.727 -22.804 1.00 74.15 H new ATOM 0 HA THR A 37 17.092 17.820 -21.374 1.00 4.42 H new ATOM 0 HB THR A 37 18.408 19.987 -21.765 1.00 61.54 H new ATOM 0 HG1 THR A 37 20.587 19.673 -22.555 1.00 13.10 H new ATOM 0 HG21 THR A 37 20.205 19.413 -20.206 1.00 24.45 H new ATOM 0 HG22 THR A 37 18.651 18.697 -19.715 1.00 24.45 H new ATOM 0 HG23 THR A 37 19.894 17.683 -20.487 1.00 24.45 H new ATOM 573 N PHE A 38 16.026 19.400 -23.017 1.00 34.02 N ATOM 574 CA PHE A 38 15.180 20.024 -23.955 1.00 15.41 C ATOM 575 C PHE A 38 14.974 21.420 -23.530 1.00 63.00 C ATOM 576 O PHE A 38 15.228 21.799 -22.365 1.00 42.12 O ATOM 577 CB PHE A 38 13.809 19.413 -24.079 1.00 24.53 C ATOM 578 CG PHE A 38 12.852 19.538 -22.941 1.00 71.41 C ATOM 579 CD1 PHE A 38 12.935 18.799 -21.786 1.00 5.14 C ATOM 580 CD2 PHE A 38 11.813 20.410 -23.099 1.00 24.50 C ATOM 581 CE1 PHE A 38 11.980 18.946 -20.810 1.00 42.23 C ATOM 582 CE2 PHE A 38 10.873 20.579 -22.160 1.00 11.24 C ATOM 583 CZ PHE A 38 10.946 19.844 -20.996 1.00 32.23 C ATOM 0 H PHE A 38 15.879 19.710 -22.056 1.00 34.02 H new ATOM 0 HA PHE A 38 15.677 19.915 -24.919 1.00 15.41 H new ATOM 0 HB2 PHE A 38 13.333 19.849 -24.957 1.00 24.53 H new ATOM 0 HB3 PHE A 38 13.940 18.350 -24.282 1.00 24.53 H new ATOM 0 HD1 PHE A 38 13.750 18.104 -21.646 1.00 5.14 H new ATOM 0 HD2 PHE A 38 11.747 20.983 -24.012 1.00 24.50 H new ATOM 0 HE1 PHE A 38 12.037 18.363 -19.902 1.00 42.23 H new ATOM 0 HE2 PHE A 38 10.068 21.282 -22.313 1.00 11.24 H new ATOM 0 HZ PHE A 38 10.195 19.970 -20.230 1.00 32.23 H new ATOM 593 N THR A 39 14.562 22.167 -24.458 1.00 24.54 N ATOM 594 CA THR A 39 14.232 23.528 -24.294 1.00 32.34 C ATOM 595 C THR A 39 12.843 23.622 -23.686 1.00 53.41 C ATOM 596 O THR A 39 11.835 23.342 -24.345 1.00 34.13 O ATOM 597 CB THR A 39 14.180 24.154 -25.668 1.00 25.43 C ATOM 598 OG1 THR A 39 15.438 23.889 -26.322 1.00 42.22 O ATOM 599 CG2 THR A 39 13.944 25.659 -25.592 1.00 15.23 C ATOM 0 H THR A 39 14.434 21.836 -25.414 1.00 24.54 H new ATOM 0 HA THR A 39 14.961 24.027 -23.656 1.00 32.34 H new ATOM 0 HB THR A 39 13.349 23.724 -26.227 1.00 25.43 H new ATOM 0 HG1 THR A 39 15.430 24.284 -27.219 1.00 42.22 H new ATOM 0 HG21 THR A 39 13.913 26.074 -26.600 1.00 15.23 H new ATOM 0 HG22 THR A 39 12.996 25.854 -25.090 1.00 15.23 H new ATOM 0 HG23 THR A 39 14.754 26.126 -25.032 1.00 15.23 H new ATOM 607 N TYR A 40 12.804 23.994 -22.449 1.00 61.41 N ATOM 608 CA TYR A 40 11.524 24.138 -21.839 1.00 61.10 C ATOM 609 C TYR A 40 11.202 25.578 -21.706 1.00 74.24 C ATOM 610 O TYR A 40 11.885 26.281 -20.993 1.00 64.03 O ATOM 611 CB TYR A 40 11.474 23.434 -20.480 1.00 74.25 C ATOM 612 CG TYR A 40 10.116 23.428 -19.750 1.00 65.24 C ATOM 613 CD1 TYR A 40 9.772 24.451 -18.881 1.00 63.13 C ATOM 614 CD2 TYR A 40 9.191 22.378 -19.909 1.00 34.25 C ATOM 615 CE1 TYR A 40 8.568 24.441 -18.205 1.00 62.14 C ATOM 616 CE2 TYR A 40 7.993 22.376 -19.239 1.00 74.14 C ATOM 617 CZ TYR A 40 7.684 23.405 -18.395 1.00 3.21 C ATOM 618 OH TYR A 40 6.494 23.381 -17.707 1.00 64.42 O ATOM 0 H TYR A 40 13.611 24.197 -21.859 1.00 61.41 H new ATOM 0 HA TYR A 40 10.775 23.663 -22.473 1.00 61.10 H new ATOM 0 HB2 TYR A 40 11.788 22.400 -20.621 1.00 74.25 H new ATOM 0 HB3 TYR A 40 12.209 23.904 -19.827 1.00 74.25 H new ATOM 0 HD1 TYR A 40 10.458 25.271 -18.730 1.00 63.13 H new ATOM 0 HD2 TYR A 40 9.429 21.558 -20.571 1.00 34.25 H new ATOM 0 HE1 TYR A 40 8.321 25.246 -17.528 1.00 62.14 H new ATOM 0 HE2 TYR A 40 7.296 21.563 -19.379 1.00 74.14 H new ATOM 0 HH TYR A 40 5.987 22.581 -17.959 1.00 64.42 H new ATOM 628 N ASN A 41 10.242 26.036 -22.462 1.00 31.42 N ATOM 629 CA ASN A 41 9.902 27.427 -22.445 1.00 21.40 C ATOM 630 C ASN A 41 8.847 27.675 -21.428 1.00 71.11 C ATOM 631 O ASN A 41 8.734 28.782 -20.907 1.00 34.31 O ATOM 632 CB ASN A 41 9.480 27.946 -23.803 1.00 2.35 C ATOM 633 CG ASN A 41 10.559 27.945 -24.852 1.00 1.05 C ATOM 634 OD1 ASN A 41 11.736 28.071 -24.552 1.00 34.14 O ATOM 635 ND2 ASN A 41 10.162 27.833 -26.094 1.00 31.13 N ATOM 0 H ASN A 41 9.683 25.465 -23.096 1.00 31.42 H new ATOM 0 HA ASN A 41 10.802 27.980 -22.176 1.00 21.40 H new ATOM 0 HB2 ASN A 41 8.646 27.343 -24.162 1.00 2.35 H new ATOM 0 HB3 ASN A 41 9.110 28.965 -23.686 1.00 2.35 H new ATOM 0 HD21 ASN A 41 10.845 27.849 -26.851 1.00 31.13 H new ATOM 0 HD22 ASN A 41 9.169 27.729 -26.305 1.00 31.13 H new ATOM 642 N GLY A 42 8.015 26.676 -21.192 1.00 22.12 N ATOM 643 CA GLY A 42 7.183 26.756 -20.040 1.00 32.21 C ATOM 644 C GLY A 42 5.719 26.993 -20.234 1.00 55.33 C ATOM 645 O GLY A 42 5.058 27.322 -19.255 1.00 53.15 O ATOM 0 H GLY A 42 7.910 25.839 -21.765 1.00 22.12 H new ATOM 0 HA2 GLY A 42 7.298 25.826 -19.483 1.00 32.21 H new ATOM 0 HA3 GLY A 42 7.568 27.556 -19.408 1.00 32.21 H new ATOM 649 N LYS A 43 5.135 26.839 -21.418 1.00 61.54 N ATOM 650 CA LYS A 43 3.740 27.160 -21.621 1.00 74.21 C ATOM 651 C LYS A 43 3.030 25.998 -22.368 1.00 72.44 C ATOM 652 O LYS A 43 3.119 24.823 -22.001 1.00 55.21 O ATOM 653 CB LYS A 43 3.671 28.420 -22.557 1.00 35.44 C ATOM 654 CG LYS A 43 4.458 29.642 -22.163 1.00 24.11 C ATOM 655 CD LYS A 43 4.090 30.825 -23.058 1.00 34.11 C ATOM 656 CE LYS A 43 2.652 31.292 -22.843 1.00 32.00 C ATOM 657 NZ LYS A 43 2.286 32.405 -23.753 1.00 5.52 N ATOM 0 H LYS A 43 5.614 26.492 -22.249 1.00 61.54 H new ATOM 0 HA LYS A 43 3.262 27.333 -20.657 1.00 74.21 H new ATOM 0 HB2 LYS A 43 4.003 28.116 -23.550 1.00 35.44 H new ATOM 0 HB3 LYS A 43 2.625 28.712 -22.646 1.00 35.44 H new ATOM 0 HG2 LYS A 43 4.258 29.891 -21.121 1.00 24.11 H new ATOM 0 HG3 LYS A 43 5.525 29.436 -22.242 1.00 24.11 H new ATOM 0 HD2 LYS A 43 4.771 31.653 -22.860 1.00 34.11 H new ATOM 0 HD3 LYS A 43 4.225 30.543 -24.102 1.00 34.11 H new ATOM 0 HE2 LYS A 43 1.972 30.455 -23.002 1.00 32.00 H new ATOM 0 HE3 LYS A 43 2.526 31.613 -21.809 1.00 32.00 H new ATOM 0 HZ1 LYS A 43 1.251 32.457 -23.839 1.00 5.52 H new ATOM 0 HZ2 LYS A 43 2.647 33.301 -23.368 1.00 5.52 H new ATOM 0 HZ3 LYS A 43 2.703 32.238 -24.691 1.00 5.52 H new ATOM 671 N GLY A 44 2.355 26.457 -23.396 1.00 73.52 N ATOM 672 CA GLY A 44 1.680 25.625 -24.383 1.00 52.04 C ATOM 673 C GLY A 44 2.164 24.218 -24.679 1.00 61.32 C ATOM 674 O GLY A 44 3.327 23.977 -25.036 1.00 71.33 O ATOM 0 H GLY A 44 2.253 27.455 -23.581 1.00 73.52 H new ATOM 0 HA2 GLY A 44 0.637 25.546 -24.075 1.00 52.04 H new ATOM 0 HA3 GLY A 44 1.694 26.172 -25.325 1.00 52.04 H new ATOM 678 N GLY A 45 1.196 23.325 -24.620 1.00 12.24 N ATOM 679 CA GLY A 45 1.378 21.968 -25.029 1.00 32.34 C ATOM 680 C GLY A 45 1.936 21.064 -23.957 1.00 10.01 C ATOM 681 O GLY A 45 1.803 21.329 -22.748 1.00 60.30 O ATOM 0 H GLY A 45 0.257 23.534 -24.282 1.00 12.24 H new ATOM 0 HA2 GLY A 45 0.419 21.569 -25.361 1.00 32.34 H new ATOM 0 HA3 GLY A 45 2.047 21.947 -25.889 1.00 32.34 H new ATOM 685 N ASN A 46 2.524 19.966 -24.427 1.00 62.22 N ATOM 686 CA ASN A 46 3.052 18.998 -23.445 1.00 23.03 C ATOM 687 C ASN A 46 4.206 19.434 -22.589 1.00 24.41 C ATOM 688 O ASN A 46 5.166 20.062 -22.995 1.00 4.41 O ATOM 689 CB ASN A 46 3.341 17.607 -24.052 1.00 60.04 C ATOM 690 CG ASN A 46 2.096 16.888 -24.544 1.00 52.43 C ATOM 691 OD1 ASN A 46 0.989 17.097 -24.037 1.00 24.13 O ATOM 692 ND2 ASN A 46 2.252 16.044 -25.528 1.00 63.43 N ATOM 0 H ASN A 46 2.647 19.725 -25.411 1.00 62.22 H new ATOM 0 HA ASN A 46 2.209 18.934 -22.757 1.00 23.03 H new ATOM 0 HB2 ASN A 46 4.038 17.720 -24.883 1.00 60.04 H new ATOM 0 HB3 ASN A 46 3.836 16.989 -23.303 1.00 60.04 H new ATOM 0 HD21 ASN A 46 1.448 15.537 -25.898 1.00 63.43 H new ATOM 0 HD22 ASN A 46 3.178 15.892 -25.927 1.00 63.43 H new ATOM 699 N GLY A 47 4.050 18.978 -21.378 1.00 64.10 N ATOM 700 CA GLY A 47 4.963 19.325 -20.346 1.00 34.41 C ATOM 701 C GLY A 47 5.736 18.183 -19.824 1.00 31.15 C ATOM 702 O GLY A 47 5.860 18.029 -18.604 1.00 41.32 O ATOM 0 H GLY A 47 3.291 18.361 -21.088 1.00 64.10 H new ATOM 0 HA2 GLY A 47 5.655 20.077 -20.724 1.00 34.41 H new ATOM 0 HA3 GLY A 47 4.411 19.783 -19.525 1.00 34.41 H new ATOM 706 N ASN A 48 6.176 17.323 -20.713 1.00 31.11 N ATOM 707 CA ASN A 48 7.113 16.284 -20.319 1.00 61.31 C ATOM 708 C ASN A 48 8.404 16.969 -19.981 1.00 42.05 C ATOM 709 O ASN A 48 9.160 17.351 -20.868 1.00 53.33 O ATOM 710 CB ASN A 48 7.361 15.252 -21.421 1.00 3.34 C ATOM 711 CG ASN A 48 8.412 14.232 -20.986 1.00 73.53 C ATOM 712 OD1 ASN A 48 8.563 13.947 -19.800 1.00 61.42 O ATOM 713 ND2 ASN A 48 9.116 13.660 -21.920 1.00 43.15 N ATOM 0 H ASN A 48 5.909 17.316 -21.698 1.00 31.11 H new ATOM 0 HA ASN A 48 6.696 15.736 -19.474 1.00 61.31 H new ATOM 0 HB2 ASN A 48 6.429 14.740 -21.662 1.00 3.34 H new ATOM 0 HB3 ASN A 48 7.692 15.756 -22.329 1.00 3.34 H new ATOM 0 HD21 ASN A 48 9.813 12.957 -21.675 1.00 43.15 H new ATOM 0 HD22 ASN A 48 8.971 13.915 -22.897 1.00 43.15 H new ATOM 720 N ASN A 49 8.631 17.158 -18.723 1.00 34.13 N ATOM 721 CA ASN A 49 9.703 17.898 -18.181 1.00 21.45 C ATOM 722 C ASN A 49 10.135 17.278 -16.887 1.00 44.55 C ATOM 723 O ASN A 49 9.331 17.164 -15.950 1.00 12.33 O ATOM 724 CB ASN A 49 9.192 19.317 -17.880 1.00 72.33 C ATOM 725 CG ASN A 49 10.190 20.195 -17.148 1.00 50.11 C ATOM 726 OD1 ASN A 49 11.379 20.032 -17.267 1.00 20.42 O ATOM 727 ND2 ASN A 49 9.694 21.130 -16.369 1.00 74.33 N ATOM 0 H ASN A 49 8.024 16.768 -18.002 1.00 34.13 H new ATOM 0 HA ASN A 49 10.538 17.914 -18.882 1.00 21.45 H new ATOM 0 HB2 ASN A 49 8.920 19.800 -18.819 1.00 72.33 H new ATOM 0 HB3 ASN A 49 8.283 19.245 -17.284 1.00 72.33 H new ATOM 0 HD21 ASN A 49 10.319 21.742 -15.845 1.00 74.33 H new ATOM 0 HD22 ASN A 49 8.684 21.244 -16.289 1.00 74.33 H new ATOM 734 N PHE A 50 11.359 16.856 -16.803 1.00 71.10 N ATOM 735 CA PHE A 50 11.909 16.461 -15.557 1.00 14.22 C ATOM 736 C PHE A 50 13.021 17.445 -15.315 1.00 32.11 C ATOM 737 O PHE A 50 13.818 17.708 -16.207 1.00 34.51 O ATOM 738 CB PHE A 50 12.384 14.964 -15.551 1.00 35.41 C ATOM 739 CG PHE A 50 11.285 14.014 -15.929 1.00 33.24 C ATOM 740 CD1 PHE A 50 10.277 13.705 -15.031 1.00 34.42 C ATOM 741 CD2 PHE A 50 11.251 13.444 -17.191 1.00 22.24 C ATOM 742 CE1 PHE A 50 9.252 12.850 -15.387 1.00 14.24 C ATOM 743 CE2 PHE A 50 10.234 12.587 -17.551 1.00 21.10 C ATOM 744 CZ PHE A 50 9.231 12.291 -16.649 1.00 25.33 C ATOM 0 H PHE A 50 11.997 16.778 -17.595 1.00 71.10 H new ATOM 0 HA PHE A 50 11.173 16.484 -14.753 1.00 14.22 H new ATOM 0 HB2 PHE A 50 13.216 14.847 -16.245 1.00 35.41 H new ATOM 0 HB3 PHE A 50 12.757 14.708 -14.559 1.00 35.41 H new ATOM 0 HD1 PHE A 50 10.292 14.137 -14.041 1.00 34.42 H new ATOM 0 HD2 PHE A 50 12.031 13.674 -17.901 1.00 22.24 H new ATOM 0 HE1 PHE A 50 8.469 12.619 -14.680 1.00 14.24 H new ATOM 0 HE2 PHE A 50 10.221 12.147 -18.537 1.00 21.10 H new ATOM 0 HZ PHE A 50 8.431 11.623 -16.931 1.00 25.33 H new ATOM 754 N SER A 51 13.086 18.016 -14.166 1.00 65.34 N ATOM 755 CA SER A 51 13.999 19.080 -13.891 1.00 45.43 C ATOM 756 C SER A 51 15.102 18.657 -12.963 1.00 3.32 C ATOM 757 O SER A 51 15.975 19.460 -12.629 1.00 73.15 O ATOM 758 CB SER A 51 13.210 20.265 -13.351 1.00 44.35 C ATOM 759 OG SER A 51 12.408 19.893 -12.238 1.00 31.42 O ATOM 0 H SER A 51 12.499 17.757 -13.373 1.00 65.34 H new ATOM 0 HA SER A 51 14.499 19.373 -14.814 1.00 45.43 H new ATOM 0 HB2 SER A 51 13.898 21.058 -13.056 1.00 44.35 H new ATOM 0 HB3 SER A 51 12.575 20.670 -14.139 1.00 44.35 H new ATOM 0 HG SER A 51 11.916 20.676 -11.914 1.00 31.42 H new ATOM 765 N ARG A 52 15.124 17.412 -12.595 1.00 3.42 N ATOM 766 CA ARG A 52 16.156 16.908 -11.741 1.00 24.34 C ATOM 767 C ARG A 52 16.650 15.637 -12.371 1.00 32.42 C ATOM 768 O ARG A 52 15.855 14.767 -12.785 1.00 72.25 O ATOM 769 CB ARG A 52 15.623 16.619 -10.338 1.00 1.14 C ATOM 770 CG ARG A 52 14.994 17.807 -9.635 1.00 24.02 C ATOM 771 CD ARG A 52 14.596 17.456 -8.217 1.00 22.12 C ATOM 772 NE ARG A 52 13.846 18.534 -7.573 1.00 45.13 N ATOM 773 CZ ARG A 52 13.920 18.864 -6.283 1.00 61.02 C ATOM 774 NH1 ARG A 52 14.834 18.305 -5.495 1.00 0.21 N ATOM 775 NH2 ARG A 52 13.081 19.771 -5.785 1.00 41.54 N ATOM 0 H ARG A 52 14.430 16.719 -12.877 1.00 3.42 H new ATOM 0 HA ARG A 52 16.954 17.643 -11.635 1.00 24.34 H new ATOM 0 HB2 ARG A 52 14.883 15.821 -10.404 1.00 1.14 H new ATOM 0 HB3 ARG A 52 16.442 16.244 -9.724 1.00 1.14 H new ATOM 0 HG2 ARG A 52 15.697 18.640 -9.623 1.00 24.02 H new ATOM 0 HG3 ARG A 52 14.117 18.139 -10.190 1.00 24.02 H new ATOM 0 HD2 ARG A 52 13.992 16.549 -8.225 1.00 22.12 H new ATOM 0 HD3 ARG A 52 15.490 17.238 -7.633 1.00 22.12 H new ATOM 0 HE ARG A 52 13.214 19.079 -8.159 1.00 45.13 H new ATOM 0 HH11 ARG A 52 15.485 17.618 -5.876 1.00 0.21 H new ATOM 0 HH12 ARG A 52 14.884 18.563 -4.509 1.00 0.21 H new ATOM 0 HH21 ARG A 52 12.386 20.209 -6.390 1.00 41.54 H new ATOM 0 HH22 ARG A 52 13.133 20.027 -4.799 1.00 41.54 H new ATOM 789 N THR A 53 17.959 15.563 -12.477 1.00 62.53 N ATOM 790 CA THR A 53 18.678 14.485 -13.109 1.00 65.15 C ATOM 791 C THR A 53 18.339 13.142 -12.475 1.00 5.40 C ATOM 792 O THR A 53 18.083 12.173 -13.174 1.00 72.21 O ATOM 793 CB THR A 53 20.190 14.745 -12.989 1.00 32.10 C ATOM 794 OG1 THR A 53 20.484 16.046 -13.527 1.00 42.54 O ATOM 795 CG2 THR A 53 20.993 13.694 -13.744 1.00 14.23 C ATOM 0 H THR A 53 18.576 16.286 -12.108 1.00 62.53 H new ATOM 0 HA THR A 53 18.384 14.446 -14.158 1.00 65.15 H new ATOM 0 HB THR A 53 20.469 14.694 -11.936 1.00 32.10 H new ATOM 0 HG1 THR A 53 21.445 16.221 -13.453 1.00 42.54 H new ATOM 0 HG21 THR A 53 22.057 13.905 -13.640 1.00 14.23 H new ATOM 0 HG22 THR A 53 20.777 12.707 -13.334 1.00 14.23 H new ATOM 0 HG23 THR A 53 20.720 13.716 -14.799 1.00 14.23 H new ATOM 803 N ASN A 54 18.283 13.101 -11.160 1.00 61.04 N ATOM 804 CA ASN A 54 18.001 11.854 -10.459 1.00 64.51 C ATOM 805 C ASN A 54 16.522 11.533 -10.529 1.00 40.10 C ATOM 806 O ASN A 54 16.119 10.383 -10.391 1.00 43.43 O ATOM 807 CB ASN A 54 18.458 11.897 -8.996 1.00 15.31 C ATOM 808 CG ASN A 54 19.946 12.140 -8.824 1.00 62.45 C ATOM 809 OD1 ASN A 54 20.391 13.287 -8.702 1.00 10.50 O ATOM 810 ND2 ASN A 54 20.727 11.089 -8.813 1.00 10.01 N ATOM 0 H ASN A 54 18.427 13.908 -10.553 1.00 61.04 H new ATOM 0 HA ASN A 54 18.568 11.069 -10.959 1.00 64.51 H new ATOM 0 HB2 ASN A 54 17.909 12.683 -8.477 1.00 15.31 H new ATOM 0 HB3 ASN A 54 18.196 10.954 -8.516 1.00 15.31 H new ATOM 0 HD21 ASN A 54 21.734 11.203 -8.701 1.00 10.01 H new ATOM 0 HD22 ASN A 54 20.328 10.156 -8.916 1.00 10.01 H new ATOM 817 N ASP A 55 15.735 12.543 -10.841 1.00 20.55 N ATOM 818 CA ASP A 55 14.292 12.358 -10.898 1.00 64.33 C ATOM 819 C ASP A 55 13.841 11.852 -12.245 1.00 74.45 C ATOM 820 O ASP A 55 12.810 11.176 -12.334 1.00 73.12 O ATOM 821 CB ASP A 55 13.487 13.578 -10.408 1.00 3.22 C ATOM 822 CG ASP A 55 13.652 13.841 -8.912 1.00 42.32 C ATOM 823 OD1 ASP A 55 14.742 14.238 -8.458 1.00 30.25 O ATOM 824 OD2 ASP A 55 12.683 13.614 -8.153 1.00 14.24 O ATOM 0 H ASP A 55 16.059 13.486 -11.056 1.00 20.55 H new ATOM 0 HA ASP A 55 14.063 11.574 -10.176 1.00 64.33 H new ATOM 0 HB2 ASP A 55 13.802 14.461 -10.963 1.00 3.22 H new ATOM 0 HB3 ASP A 55 12.431 13.422 -10.630 1.00 3.22 H new ATOM 829 N CYS A 56 14.572 12.143 -13.321 1.00 2.32 N ATOM 830 CA CYS A 56 14.187 11.545 -14.572 1.00 60.33 C ATOM 831 C CYS A 56 14.585 10.103 -14.537 1.00 55.43 C ATOM 832 O CYS A 56 13.926 9.255 -15.102 1.00 32.43 O ATOM 833 CB CYS A 56 14.829 12.197 -15.827 1.00 62.45 C ATOM 834 SG CYS A 56 16.646 12.017 -16.106 1.00 22.11 S ATOM 0 H CYS A 56 15.387 12.755 -13.344 1.00 2.32 H new ATOM 0 HA CYS A 56 13.111 11.691 -14.668 1.00 60.33 H new ATOM 0 HB2 CYS A 56 14.321 11.793 -16.703 1.00 62.45 H new ATOM 0 HB3 CYS A 56 14.606 13.263 -15.793 1.00 62.45 H new ATOM 839 N ARG A 57 15.654 9.821 -13.856 1.00 5.33 N ATOM 840 CA ARG A 57 16.166 8.469 -13.779 1.00 10.30 C ATOM 841 C ARG A 57 15.240 7.553 -12.991 1.00 12.02 C ATOM 842 O ARG A 57 15.207 6.354 -13.238 1.00 73.20 O ATOM 843 CB ARG A 57 17.609 8.464 -13.298 1.00 3.35 C ATOM 844 CG ARG A 57 18.449 9.357 -14.189 1.00 64.42 C ATOM 845 CD ARG A 57 19.934 9.305 -13.904 1.00 41.10 C ATOM 846 NE ARG A 57 20.670 10.181 -14.836 1.00 72.25 N ATOM 847 CZ ARG A 57 21.993 10.185 -15.030 1.00 54.02 C ATOM 848 NH1 ARG A 57 22.788 9.452 -14.262 1.00 4.23 N ATOM 849 NH2 ARG A 57 22.504 10.976 -15.969 1.00 5.01 N ATOM 0 H ARG A 57 16.199 10.510 -13.338 1.00 5.33 H new ATOM 0 HA ARG A 57 16.183 8.046 -14.783 1.00 10.30 H new ATOM 0 HB2 ARG A 57 17.660 8.813 -12.266 1.00 3.35 H new ATOM 0 HB3 ARG A 57 18.003 7.448 -13.311 1.00 3.35 H new ATOM 0 HG2 ARG A 57 18.281 9.074 -15.228 1.00 64.42 H new ATOM 0 HG3 ARG A 57 18.106 10.386 -14.079 1.00 64.42 H new ATOM 0 HD2 ARG A 57 20.124 9.616 -12.877 1.00 41.10 H new ATOM 0 HD3 ARG A 57 20.293 8.280 -13.999 1.00 41.10 H new ATOM 0 HE ARG A 57 20.119 10.844 -15.382 1.00 72.25 H new ATOM 0 HH11 ARG A 57 22.391 8.880 -13.517 1.00 4.23 H new ATOM 0 HH12 ARG A 57 23.796 9.461 -14.417 1.00 4.23 H new ATOM 0 HH21 ARG A 57 21.889 11.567 -16.528 1.00 5.01 H new ATOM 0 HH22 ARG A 57 23.511 10.991 -16.130 1.00 5.01 H new ATOM 863 N GLN A 58 14.495 8.138 -12.059 1.00 42.42 N ATOM 864 CA GLN A 58 13.421 7.432 -11.305 1.00 41.23 C ATOM 865 C GLN A 58 12.443 6.863 -12.237 1.00 22.50 C ATOM 866 O GLN A 58 12.148 5.677 -12.237 1.00 73.53 O ATOM 867 CB GLN A 58 12.675 8.388 -10.415 1.00 21.21 C ATOM 868 CG GLN A 58 13.535 9.141 -9.433 1.00 45.45 C ATOM 869 CD GLN A 58 14.182 8.248 -8.403 1.00 24.33 C ATOM 870 OE1 GLN A 58 13.628 7.221 -8.000 1.00 41.13 O ATOM 871 NE2 GLN A 58 15.365 8.598 -8.010 1.00 71.00 N ATOM 0 H GLN A 58 14.605 9.116 -11.792 1.00 42.42 H new ATOM 0 HA GLN A 58 13.899 6.653 -10.711 1.00 41.23 H new ATOM 0 HB2 GLN A 58 12.147 9.108 -11.041 1.00 21.21 H new ATOM 0 HB3 GLN A 58 11.918 7.832 -9.862 1.00 21.21 H new ATOM 0 HG2 GLN A 58 14.311 9.679 -9.977 1.00 45.45 H new ATOM 0 HG3 GLN A 58 12.926 9.889 -8.925 1.00 45.45 H new ATOM 0 HE21 GLN A 58 15.788 9.455 -8.367 1.00 71.00 H new ATOM 0 HE22 GLN A 58 15.874 8.017 -7.344 1.00 71.00 H new ATOM 880 N THR A 59 11.934 7.755 -12.939 1.00 23.51 N ATOM 881 CA THR A 59 11.111 7.634 -14.006 1.00 2.41 C ATOM 882 C THR A 59 11.560 6.544 -14.959 1.00 44.12 C ATOM 883 O THR A 59 11.041 5.424 -14.892 1.00 10.14 O ATOM 884 CB THR A 59 11.231 9.091 -14.544 1.00 25.20 C ATOM 885 OG1 THR A 59 10.668 10.051 -13.645 1.00 24.32 O ATOM 886 CG2 THR A 59 10.885 9.373 -15.934 1.00 15.30 C ATOM 0 H THR A 59 12.123 8.736 -12.736 1.00 23.51 H new ATOM 0 HA THR A 59 10.087 7.315 -13.813 1.00 2.41 H new ATOM 0 HB THR A 59 12.315 9.200 -14.577 1.00 25.20 H new ATOM 0 HG1 THR A 59 11.382 10.455 -13.109 1.00 24.32 H new ATOM 0 HG21 THR A 59 11.027 10.435 -16.136 1.00 15.30 H new ATOM 0 HG22 THR A 59 11.526 8.789 -16.594 1.00 15.30 H new ATOM 0 HG23 THR A 59 9.843 9.106 -16.111 1.00 15.30 H new ATOM 894 N CYS A 60 12.520 6.790 -15.739 1.00 35.12 N ATOM 895 CA CYS A 60 12.672 5.887 -16.893 1.00 10.42 C ATOM 896 C CYS A 60 13.918 5.868 -17.628 1.00 43.42 C ATOM 897 O CYS A 60 13.944 5.204 -18.638 1.00 14.21 O ATOM 898 CB CYS A 60 11.621 6.204 -17.962 1.00 41.32 C ATOM 899 SG CYS A 60 9.891 5.866 -17.576 1.00 61.44 S ATOM 0 H CYS A 60 13.198 7.547 -15.652 1.00 35.12 H new ATOM 0 HA CYS A 60 12.586 4.924 -16.389 1.00 10.42 H new ATOM 0 HB2 CYS A 60 11.707 7.262 -18.211 1.00 41.32 H new ATOM 0 HB3 CYS A 60 11.879 5.643 -18.860 1.00 41.32 H new