USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 369 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 65:sc= 0.00807 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 12:sc= 0.457 USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.12) USER MOD Single : A 24 GLN : amide:sc= -0.0619 X(o=-0.062,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -5.91! C(o=-5.9!,f=-9!) USER MOD Single : A 30 SER OG : rot -105:sc= 1.28 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= -0.0263 X(o=-0.026,f=0.0024) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0103 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= -2.47! K(o=-2.5!,f=-0.22) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc=-0.000804 K(o=-0.0008,f=-0.78) USER MOD Single : A 48 ASN : amide:sc= -0.667 X(o=-0.67,f=-0.48) USER MOD Single : A 49 ASN : amide:sc= -2.04! C(o=-2!,f=-6.5!) USER MOD Single : A 51 SER OG : rot 180:sc= -0.525 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0151 K(o=-0.015,f=-1.5) USER MOD Single : A 58 GLN : amide:sc= -0.453 K(o=-0.45,f=-4.5!) USER MOD Single : A 59 THR OG1 : rot 102:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 9 5.219 10.435 -19.076 1.00 61.35 N ATOM 135 CA TYR A 9 5.922 11.557 -19.529 1.00 31.20 C ATOM 136 C TYR A 9 7.284 11.160 -19.969 1.00 55.01 C ATOM 137 O TYR A 9 7.781 11.729 -20.909 1.00 25.34 O ATOM 138 CB TYR A 9 6.012 12.517 -18.359 1.00 53.23 C ATOM 139 CG TYR A 9 4.671 13.048 -17.952 1.00 4.34 C ATOM 140 CD1 TYR A 9 3.698 13.235 -18.907 1.00 14.22 C ATOM 141 CD2 TYR A 9 4.368 13.342 -16.633 1.00 33.12 C ATOM 142 CE1 TYR A 9 2.446 13.710 -18.576 1.00 44.22 C ATOM 143 CE2 TYR A 9 3.119 13.817 -16.282 1.00 42.42 C ATOM 144 CZ TYR A 9 2.161 14.000 -17.258 1.00 22.10 C ATOM 145 OH TYR A 9 0.912 14.474 -16.915 1.00 1.20 O ATOM 0 HA TYR A 9 5.419 12.020 -20.378 1.00 31.20 H new ATOM 0 HB2 TYR A 9 6.472 12.010 -17.511 1.00 53.23 H new ATOM 0 HB3 TYR A 9 6.664 13.349 -18.624 1.00 53.23 H new ATOM 0 HD1 TYR A 9 3.920 13.005 -19.939 1.00 14.22 H new ATOM 0 HD2 TYR A 9 5.118 13.198 -15.869 1.00 33.12 H new ATOM 0 HE1 TYR A 9 1.697 13.853 -19.341 1.00 44.22 H new ATOM 0 HE2 TYR A 9 2.894 14.044 -15.250 1.00 42.42 H new ATOM 0 HH TYR A 9 0.875 14.627 -15.948 1.00 1.20 H new ATOM 155 N CYS A 10 7.880 10.124 -19.283 1.00 55.41 N ATOM 156 CA CYS A 10 9.170 9.594 -19.646 1.00 50.03 C ATOM 157 C CYS A 10 9.217 9.431 -21.116 1.00 20.43 C ATOM 158 O CYS A 10 10.075 9.961 -21.783 1.00 70.51 O ATOM 159 CB CYS A 10 9.381 8.160 -19.123 1.00 53.03 C ATOM 160 SG CYS A 10 9.461 7.948 -17.346 1.00 43.43 S ATOM 0 H CYS A 10 7.455 9.664 -18.478 1.00 55.41 H new ATOM 0 HA CYS A 10 9.911 10.280 -19.236 1.00 50.03 H new ATOM 0 HB2 CYS A 10 8.570 7.538 -19.503 1.00 53.03 H new ATOM 0 HB3 CYS A 10 10.306 7.775 -19.552 1.00 53.03 H new ATOM 165 N ASN A 11 8.198 8.818 -21.654 1.00 12.14 N ATOM 166 CA ASN A 11 8.310 8.362 -23.057 1.00 33.11 C ATOM 167 C ASN A 11 7.838 9.423 -24.049 1.00 55.31 C ATOM 168 O ASN A 11 7.819 9.176 -25.252 1.00 70.21 O ATOM 169 CB ASN A 11 7.556 7.098 -23.327 1.00 63.12 C ATOM 170 CG ASN A 11 7.900 5.963 -22.378 1.00 11.55 C ATOM 171 OD1 ASN A 11 7.296 5.829 -21.307 1.00 5.22 O ATOM 172 ND2 ASN A 11 8.820 5.123 -22.768 1.00 14.42 N ATOM 0 H ASN A 11 7.312 8.619 -21.190 1.00 12.14 H new ATOM 0 HA ASN A 11 9.374 8.173 -23.199 1.00 33.11 H new ATOM 0 HB2 ASN A 11 6.487 7.303 -23.261 1.00 63.12 H new ATOM 0 HB3 ASN A 11 7.757 6.778 -24.349 1.00 63.12 H new ATOM 0 HD21 ASN A 11 9.062 4.324 -22.183 1.00 14.42 H new ATOM 0 HD22 ASN A 11 9.297 5.266 -23.658 1.00 14.42 H new ATOM 179 N LEU A 12 7.445 10.571 -23.573 1.00 13.04 N ATOM 180 CA LEU A 12 6.838 11.603 -24.424 1.00 34.01 C ATOM 181 C LEU A 12 7.901 12.479 -25.136 1.00 13.42 C ATOM 182 O LEU A 12 9.040 12.571 -24.697 1.00 15.31 O ATOM 183 CB LEU A 12 5.933 12.511 -23.581 1.00 62.22 C ATOM 184 CG LEU A 12 4.735 11.871 -22.879 1.00 55.44 C ATOM 185 CD1 LEU A 12 3.857 12.949 -22.286 1.00 62.40 C ATOM 186 CD2 LEU A 12 3.932 10.987 -23.816 1.00 11.33 C ATOM 0 H LEU A 12 7.528 10.835 -22.591 1.00 13.04 H new ATOM 0 HA LEU A 12 6.258 11.085 -25.188 1.00 34.01 H new ATOM 0 HB2 LEU A 12 6.552 12.987 -22.820 1.00 62.22 H new ATOM 0 HB3 LEU A 12 5.558 13.304 -24.228 1.00 62.22 H new ATOM 0 HG LEU A 12 5.115 11.231 -22.082 1.00 55.44 H new ATOM 0 HD11 LEU A 12 3.004 12.490 -21.786 1.00 62.40 H new ATOM 0 HD12 LEU A 12 4.431 13.529 -21.564 1.00 62.40 H new ATOM 0 HD13 LEU A 12 3.502 13.606 -23.080 1.00 62.40 H new ATOM 0 HD21 LEU A 12 3.091 10.553 -23.275 1.00 11.33 H new ATOM 0 HD22 LEU A 12 3.559 11.583 -24.649 1.00 11.33 H new ATOM 0 HD23 LEU A 12 4.568 10.189 -24.198 1.00 11.33 H new ATOM 198 N PRO A 13 7.536 13.092 -26.282 1.00 15.44 N ATOM 199 CA PRO A 13 8.389 14.046 -26.997 1.00 71.03 C ATOM 200 C PRO A 13 8.271 15.460 -26.394 1.00 60.53 C ATOM 201 O PRO A 13 7.203 15.852 -25.896 1.00 12.41 O ATOM 202 CB PRO A 13 7.809 14.046 -28.428 1.00 12.20 C ATOM 203 CG PRO A 13 6.722 13.023 -28.429 1.00 30.22 C ATOM 204 CD PRO A 13 6.294 12.870 -27.009 1.00 51.11 C ATOM 0 HA PRO A 13 9.443 13.774 -26.948 1.00 71.03 H new ATOM 0 HB2 PRO A 13 7.420 15.029 -28.692 1.00 12.20 H new ATOM 0 HB3 PRO A 13 8.577 13.800 -29.161 1.00 12.20 H new ATOM 0 HG2 PRO A 13 5.888 13.341 -29.055 1.00 30.22 H new ATOM 0 HG3 PRO A 13 7.079 12.075 -28.832 1.00 30.22 H new ATOM 0 HD2 PRO A 13 5.528 13.595 -26.735 1.00 51.11 H new ATOM 0 HD3 PRO A 13 5.880 11.881 -26.814 1.00 51.11 H new ATOM 212 N ALA A 14 9.370 16.198 -26.426 1.00 31.30 N ATOM 213 CA ALA A 14 9.425 17.559 -25.898 1.00 54.43 C ATOM 214 C ALA A 14 8.604 18.547 -26.753 1.00 2.31 C ATOM 215 O ALA A 14 8.595 18.433 -27.981 1.00 74.20 O ATOM 216 CB ALA A 14 10.860 18.000 -25.837 1.00 53.11 C ATOM 0 H ALA A 14 10.253 15.872 -26.819 1.00 31.30 H new ATOM 0 HA ALA A 14 8.986 17.557 -24.900 1.00 54.43 H new ATOM 0 HB1 ALA A 14 10.912 19.015 -25.444 1.00 53.11 H new ATOM 0 HB2 ALA A 14 11.419 17.329 -25.185 1.00 53.11 H new ATOM 0 HB3 ALA A 14 11.291 17.976 -26.838 1.00 53.11 H new ATOM 222 N ASP A 15 7.981 19.533 -26.118 1.00 44.42 N ATOM 223 CA ASP A 15 7.323 20.650 -26.787 1.00 31.32 C ATOM 224 C ASP A 15 7.721 21.968 -26.180 1.00 53.23 C ATOM 225 O ASP A 15 7.497 22.221 -25.002 1.00 71.34 O ATOM 226 CB ASP A 15 5.803 20.541 -26.967 1.00 31.34 C ATOM 227 CG ASP A 15 5.375 19.483 -27.958 1.00 23.24 C ATOM 228 OD1 ASP A 15 5.622 19.683 -29.181 1.00 71.34 O ATOM 229 OD2 ASP A 15 4.764 18.454 -27.581 1.00 72.03 O ATOM 0 H ASP A 15 7.918 19.579 -25.101 1.00 44.42 H new ATOM 0 HA ASP A 15 7.700 20.596 -27.808 1.00 31.32 H new ATOM 0 HB2 ASP A 15 5.348 20.324 -26.001 1.00 31.34 H new ATOM 0 HB3 ASP A 15 5.416 21.507 -27.292 1.00 31.34 H new ATOM 234 N SER A 16 8.385 22.777 -26.965 1.00 32.21 N ATOM 235 CA SER A 16 9.016 23.952 -26.442 1.00 60.20 C ATOM 236 C SER A 16 8.064 25.163 -26.291 1.00 14.01 C ATOM 237 O SER A 16 8.163 25.922 -25.323 1.00 65.32 O ATOM 238 CB SER A 16 10.246 24.324 -27.260 1.00 74.33 C ATOM 239 OG SER A 16 9.920 24.653 -28.615 1.00 42.20 O ATOM 0 H SER A 16 8.500 22.640 -27.969 1.00 32.21 H new ATOM 0 HA SER A 16 9.328 23.692 -25.430 1.00 60.20 H new ATOM 0 HB2 SER A 16 10.747 25.172 -26.793 1.00 74.33 H new ATOM 0 HB3 SER A 16 10.951 23.493 -27.250 1.00 74.33 H new ATOM 0 HG SER A 16 9.369 25.464 -28.631 1.00 42.20 H new ATOM 245 N GLY A 17 7.075 25.259 -27.172 1.00 23.45 N ATOM 246 CA GLY A 17 6.255 26.462 -27.236 1.00 1.52 C ATOM 247 C GLY A 17 6.987 27.591 -27.978 1.00 43.44 C ATOM 248 O GLY A 17 8.058 27.417 -28.564 1.00 22.25 O ATOM 0 H GLY A 17 6.824 24.531 -27.841 1.00 23.45 H new ATOM 0 HA2 GLY A 17 5.316 26.239 -27.742 1.00 1.52 H new ATOM 0 HA3 GLY A 17 6.004 26.789 -26.227 1.00 1.52 H new ATOM 252 N SER A 18 6.332 28.752 -27.879 1.00 45.20 N ATOM 253 CA SER A 18 6.770 29.915 -28.717 1.00 43.32 C ATOM 254 C SER A 18 7.768 30.779 -27.941 1.00 5.51 C ATOM 255 O SER A 18 8.245 31.845 -28.368 1.00 15.51 O ATOM 256 CB SER A 18 5.561 30.713 -29.188 1.00 1.40 C ATOM 257 OG SER A 18 4.754 31.092 -28.076 1.00 62.14 O ATOM 0 H SER A 18 5.535 28.927 -27.266 1.00 45.20 H new ATOM 0 HA SER A 18 7.281 29.548 -29.607 1.00 43.32 H new ATOM 0 HB2 SER A 18 5.891 31.602 -29.726 1.00 1.40 H new ATOM 0 HB3 SER A 18 4.973 30.117 -29.886 1.00 1.40 H new ATOM 0 HG SER A 18 3.982 31.606 -28.392 1.00 62.14 H new ATOM 263 N GLY A 19 8.035 30.241 -26.825 1.00 5.12 N ATOM 264 CA GLY A 19 9.103 30.760 -26.063 1.00 73.22 C ATOM 265 C GLY A 19 8.757 31.873 -25.167 1.00 51.14 C ATOM 266 O GLY A 19 7.970 32.757 -25.492 1.00 62.42 O ATOM 0 H GLY A 19 7.539 29.449 -26.415 1.00 5.12 H new ATOM 0 HA2 GLY A 19 9.526 29.953 -25.465 1.00 73.22 H new ATOM 0 HA3 GLY A 19 9.884 31.095 -26.745 1.00 73.22 H new ATOM 270 N THR A 20 9.308 31.791 -24.028 1.00 42.14 N ATOM 271 CA THR A 20 9.279 32.761 -23.017 1.00 64.21 C ATOM 272 C THR A 20 10.509 32.571 -22.138 1.00 41.24 C ATOM 273 O THR A 20 11.325 33.492 -22.005 1.00 21.11 O ATOM 274 CB THR A 20 7.891 32.736 -22.309 1.00 42.14 C ATOM 275 OG1 THR A 20 6.760 33.166 -23.040 1.00 62.42 O ATOM 276 CG2 THR A 20 7.558 31.421 -21.584 1.00 10.01 C ATOM 0 H THR A 20 9.841 30.966 -23.753 1.00 42.14 H new ATOM 0 HA THR A 20 9.356 33.780 -23.396 1.00 64.21 H new ATOM 0 HB THR A 20 8.076 33.521 -21.575 1.00 42.14 H new ATOM 0 HG1 THR A 20 6.995 33.250 -23.988 1.00 62.42 H new ATOM 0 HG21 THR A 20 6.574 31.499 -21.123 1.00 10.01 H new ATOM 0 HG22 THR A 20 7.559 30.600 -22.301 1.00 10.01 H new ATOM 0 HG23 THR A 20 8.306 31.231 -20.814 1.00 10.01 H new ATOM 284 N LYS A 21 10.666 31.423 -21.581 1.00 22.55 N ATOM 285 CA LYS A 21 11.904 31.137 -20.893 1.00 4.53 C ATOM 286 C LYS A 21 12.743 30.226 -21.775 1.00 41.25 C ATOM 287 O LYS A 21 12.398 29.092 -21.956 1.00 21.10 O ATOM 288 CB LYS A 21 11.682 30.413 -19.575 1.00 55.24 C ATOM 289 CG LYS A 21 10.874 31.139 -18.523 1.00 13.30 C ATOM 290 CD LYS A 21 10.933 30.343 -17.235 1.00 70.25 C ATOM 291 CE LYS A 21 10.351 28.946 -17.417 1.00 53.04 C ATOM 292 NZ LYS A 21 10.837 28.021 -16.392 1.00 0.32 N ATOM 0 H LYS A 21 9.977 30.671 -21.579 1.00 22.55 H new ATOM 0 HA LYS A 21 12.393 32.089 -20.688 1.00 4.53 H new ATOM 0 HB2 LYS A 21 11.188 29.465 -19.788 1.00 55.24 H new ATOM 0 HB3 LYS A 21 12.657 30.176 -19.150 1.00 55.24 H new ATOM 0 HG2 LYS A 21 11.271 32.142 -18.367 1.00 13.30 H new ATOM 0 HG3 LYS A 21 9.841 31.252 -18.851 1.00 13.30 H new ATOM 0 HD2 LYS A 21 11.967 30.267 -16.900 1.00 70.25 H new ATOM 0 HD3 LYS A 21 10.383 30.869 -16.455 1.00 70.25 H new ATOM 0 HE2 LYS A 21 9.263 28.997 -17.376 1.00 53.04 H new ATOM 0 HE3 LYS A 21 10.615 28.567 -18.404 1.00 53.04 H new ATOM 0 HZ1 LYS A 21 10.369 27.099 -16.506 1.00 0.32 H new ATOM 0 HZ2 LYS A 21 11.865 27.902 -16.491 1.00 0.32 H new ATOM 0 HZ3 LYS A 21 10.622 28.404 -15.449 1.00 0.32 H new ATOM 306 N PRO A 22 13.789 30.710 -22.402 1.00 60.32 N ATOM 307 CA PRO A 22 14.693 29.854 -23.146 1.00 72.13 C ATOM 308 C PRO A 22 15.692 29.215 -22.178 1.00 33.32 C ATOM 309 O PRO A 22 16.663 29.867 -21.764 1.00 12.34 O ATOM 310 CB PRO A 22 15.411 30.834 -24.103 1.00 62.33 C ATOM 311 CG PRO A 22 14.773 32.167 -23.865 1.00 62.05 C ATOM 312 CD PRO A 22 14.181 32.107 -22.491 1.00 15.14 C ATOM 0 HA PRO A 22 14.196 29.042 -23.676 1.00 72.13 H new ATOM 0 HB2 PRO A 22 16.481 30.869 -23.898 1.00 62.33 H new ATOM 0 HB3 PRO A 22 15.295 30.524 -25.141 1.00 62.33 H new ATOM 0 HG2 PRO A 22 15.508 32.969 -23.938 1.00 62.05 H new ATOM 0 HG3 PRO A 22 14.005 32.370 -24.611 1.00 62.05 H new ATOM 0 HD2 PRO A 22 14.903 32.380 -21.721 1.00 15.14 H new ATOM 0 HD3 PRO A 22 13.330 32.779 -22.382 1.00 15.14 H new ATOM 320 N GLU A 23 15.463 27.968 -21.790 1.00 43.33 N ATOM 321 CA GLU A 23 16.291 27.300 -20.804 1.00 33.05 C ATOM 322 C GLU A 23 16.675 25.930 -21.348 1.00 42.25 C ATOM 323 O GLU A 23 16.068 25.458 -22.328 1.00 1.34 O ATOM 324 CB GLU A 23 15.490 27.060 -19.504 1.00 52.30 C ATOM 325 CG GLU A 23 14.860 28.290 -18.868 1.00 31.42 C ATOM 326 CD GLU A 23 14.321 27.995 -17.485 1.00 10.20 C ATOM 327 OE1 GLU A 23 13.257 27.336 -17.347 1.00 42.14 O ATOM 328 OE2 GLU A 23 14.985 28.365 -16.491 1.00 22.13 O ATOM 0 H GLU A 23 14.700 27.395 -22.150 1.00 43.33 H new ATOM 0 HA GLU A 23 17.164 27.920 -20.600 1.00 33.05 H new ATOM 0 HB2 GLU A 23 14.699 26.341 -19.716 1.00 52.30 H new ATOM 0 HB3 GLU A 23 16.153 26.598 -18.773 1.00 52.30 H new ATOM 0 HG2 GLU A 23 15.601 29.087 -18.807 1.00 31.42 H new ATOM 0 HG3 GLU A 23 14.052 28.654 -19.503 1.00 31.42 H new ATOM 335 N GLN A 24 17.650 25.285 -20.722 1.00 54.02 N ATOM 336 CA GLN A 24 17.915 23.893 -21.005 1.00 1.03 C ATOM 337 C GLN A 24 17.037 23.135 -20.106 1.00 54.33 C ATOM 338 O GLN A 24 16.958 23.487 -18.930 1.00 22.21 O ATOM 339 CB GLN A 24 19.345 23.441 -20.781 1.00 30.11 C ATOM 340 CG GLN A 24 20.361 24.068 -21.676 1.00 72.30 C ATOM 341 CD GLN A 24 20.864 25.390 -21.152 1.00 4.24 C ATOM 342 OE1 GLN A 24 21.813 25.436 -20.369 1.00 5.22 O ATOM 343 NE2 GLN A 24 20.291 26.459 -21.615 1.00 32.24 N ATOM 0 H GLN A 24 18.262 25.704 -20.022 1.00 54.02 H new ATOM 0 HA GLN A 24 17.736 23.728 -22.067 1.00 1.03 H new ATOM 0 HB2 GLN A 24 19.617 23.652 -19.747 1.00 30.11 H new ATOM 0 HB3 GLN A 24 19.391 22.359 -20.909 1.00 30.11 H new ATOM 0 HG2 GLN A 24 21.203 23.386 -21.797 1.00 72.30 H new ATOM 0 HG3 GLN A 24 19.926 24.216 -22.665 1.00 72.30 H new ATOM 0 HE21 GLN A 24 19.507 26.378 -22.262 1.00 32.24 H new ATOM 0 HE22 GLN A 24 20.625 27.380 -21.331 1.00 32.24 H new ATOM 352 N ARG A 25 16.431 22.109 -20.572 1.00 60.22 N ATOM 353 CA ARG A 25 15.693 21.196 -19.724 1.00 54.32 C ATOM 354 C ARG A 25 15.995 19.853 -20.150 1.00 21.25 C ATOM 355 O ARG A 25 16.723 19.699 -21.096 1.00 52.03 O ATOM 356 CB ARG A 25 14.234 21.427 -19.771 1.00 44.50 C ATOM 357 CG ARG A 25 13.844 22.775 -19.182 1.00 60.04 C ATOM 358 CD ARG A 25 14.291 22.839 -17.754 1.00 73.35 C ATOM 359 NE ARG A 25 14.131 24.149 -17.134 1.00 33.00 N ATOM 360 CZ ARG A 25 14.707 24.481 -15.974 1.00 63.33 C ATOM 361 NH1 ARG A 25 15.496 23.609 -15.338 1.00 24.31 N ATOM 362 NH2 ARG A 25 14.525 25.679 -15.488 1.00 53.13 N ATOM 0 H ARG A 25 16.421 21.859 -21.561 1.00 60.22 H new ATOM 0 HA ARG A 25 15.997 21.361 -18.690 1.00 54.32 H new ATOM 0 HB2 ARG A 25 13.893 21.372 -20.805 1.00 44.50 H new ATOM 0 HB3 ARG A 25 13.725 20.633 -19.225 1.00 44.50 H new ATOM 0 HG2 ARG A 25 14.302 23.581 -19.755 1.00 60.04 H new ATOM 0 HG3 ARG A 25 12.765 22.913 -19.244 1.00 60.04 H new ATOM 0 HD2 ARG A 25 13.729 22.105 -17.176 1.00 73.35 H new ATOM 0 HD3 ARG A 25 15.341 22.550 -17.701 1.00 73.35 H new ATOM 0 HE ARG A 25 13.553 24.844 -17.607 1.00 33.00 H new ATOM 0 HH11 ARG A 25 15.661 22.685 -15.737 1.00 24.31 H new ATOM 0 HH12 ARG A 25 15.933 23.868 -14.453 1.00 24.31 H new ATOM 0 HH21 ARG A 25 13.948 26.352 -15.993 1.00 53.13 H new ATOM 0 HH22 ARG A 25 14.960 25.942 -14.604 1.00 53.13 H new ATOM 376 N ILE A 26 15.419 18.867 -19.522 1.00 63.15 N ATOM 377 CA ILE A 26 15.867 17.550 -19.770 1.00 54.23 C ATOM 378 C ILE A 26 14.655 16.588 -19.768 1.00 3.40 C ATOM 379 O ILE A 26 13.798 16.724 -18.943 1.00 23.31 O ATOM 380 CB ILE A 26 16.784 17.123 -18.589 1.00 73.31 C ATOM 381 CG1 ILE A 26 17.870 18.144 -18.293 1.00 65.22 C ATOM 382 CG2 ILE A 26 17.496 15.883 -18.998 1.00 3.24 C ATOM 383 CD1 ILE A 26 18.468 17.969 -16.935 1.00 11.03 C ATOM 0 H ILE A 26 14.656 18.958 -18.851 1.00 63.15 H new ATOM 0 HA ILE A 26 16.389 17.513 -20.726 1.00 54.23 H new ATOM 0 HB ILE A 26 16.152 17.005 -17.709 1.00 73.31 H new ATOM 0 HG12 ILE A 26 18.655 18.062 -19.045 1.00 65.22 H new ATOM 0 HG13 ILE A 26 17.452 19.147 -18.376 1.00 65.22 H new ATOM 0 HG21 ILE A 26 18.150 15.555 -18.190 1.00 3.24 H new ATOM 0 HG22 ILE A 26 16.769 15.101 -19.216 1.00 3.24 H new ATOM 0 HG23 ILE A 26 18.092 16.083 -19.889 1.00 3.24 H new ATOM 0 HD11 ILE A 26 19.238 18.724 -16.776 1.00 11.03 H new ATOM 0 HD12 ILE A 26 17.691 18.078 -16.178 1.00 11.03 H new ATOM 0 HD13 ILE A 26 18.912 16.977 -16.858 1.00 11.03 H new ATOM 395 N TYR A 27 14.579 15.675 -20.704 1.00 31.00 N ATOM 396 CA TYR A 27 13.380 14.843 -20.904 1.00 65.35 C ATOM 397 C TYR A 27 13.898 13.442 -21.274 1.00 74.24 C ATOM 398 O TYR A 27 15.056 13.308 -21.703 1.00 23.14 O ATOM 399 CB TYR A 27 12.522 15.421 -22.069 1.00 73.00 C ATOM 400 CG TYR A 27 13.138 15.309 -23.442 1.00 23.15 C ATOM 401 CD1 TYR A 27 14.042 16.240 -23.926 1.00 30.55 C ATOM 402 CD2 TYR A 27 12.803 14.243 -24.252 1.00 62.12 C ATOM 403 CE1 TYR A 27 14.593 16.084 -25.195 1.00 74.41 C ATOM 404 CE2 TYR A 27 13.341 14.093 -25.492 1.00 74.10 C ATOM 405 CZ TYR A 27 14.237 15.002 -25.961 1.00 51.00 C ATOM 406 OH TYR A 27 14.754 14.844 -27.234 1.00 53.23 O ATOM 0 H TYR A 27 15.336 15.474 -21.357 1.00 31.00 H new ATOM 0 HA TYR A 27 12.753 14.816 -20.013 1.00 65.35 H new ATOM 0 HB2 TYR A 27 11.560 14.909 -22.078 1.00 73.00 H new ATOM 0 HB3 TYR A 27 12.322 16.473 -21.864 1.00 73.00 H new ATOM 0 HD1 TYR A 27 14.320 17.088 -23.318 1.00 30.55 H new ATOM 0 HD2 TYR A 27 12.096 13.510 -23.892 1.00 62.12 H new ATOM 0 HE1 TYR A 27 15.297 16.810 -25.575 1.00 74.41 H new ATOM 0 HE2 TYR A 27 13.056 13.251 -26.105 1.00 74.10 H new ATOM 0 HH TYR A 27 14.396 14.023 -27.633 1.00 53.23 H new ATOM 416 N TYR A 28 13.083 12.395 -21.085 1.00 11.14 N ATOM 417 CA TYR A 28 13.479 11.025 -21.372 1.00 11.30 C ATOM 418 C TYR A 28 13.260 10.719 -22.867 1.00 14.12 C ATOM 419 O TYR A 28 12.250 11.091 -23.472 1.00 3.14 O ATOM 420 CB TYR A 28 12.739 10.014 -20.429 1.00 52.13 C ATOM 421 CG TYR A 28 12.935 8.498 -20.689 1.00 32.32 C ATOM 422 CD1 TYR A 28 13.994 7.793 -20.169 1.00 30.42 C ATOM 423 CD2 TYR A 28 11.989 7.783 -21.396 1.00 21.02 C ATOM 424 CE1 TYR A 28 14.095 6.424 -20.351 1.00 54.31 C ATOM 425 CE2 TYR A 28 12.085 6.429 -21.594 1.00 5.42 C ATOM 426 CZ TYR A 28 13.137 5.753 -21.065 1.00 24.12 C ATOM 427 OH TYR A 28 13.230 4.386 -21.233 1.00 35.23 O ATOM 0 H TYR A 28 12.131 12.483 -20.728 1.00 11.14 H new ATOM 0 HA TYR A 28 14.543 10.907 -21.167 1.00 11.30 H new ATOM 0 HB2 TYR A 28 13.053 10.221 -19.406 1.00 52.13 H new ATOM 0 HB3 TYR A 28 11.671 10.227 -20.484 1.00 52.13 H new ATOM 0 HD1 TYR A 28 14.758 8.314 -19.611 1.00 30.42 H new ATOM 0 HD2 TYR A 28 11.141 8.310 -21.809 1.00 21.02 H new ATOM 0 HE1 TYR A 28 14.930 5.884 -19.930 1.00 54.31 H new ATOM 0 HE2 TYR A 28 11.332 5.906 -22.165 1.00 5.42 H new ATOM 0 HH TYR A 28 12.469 4.069 -21.763 1.00 35.23 H new ATOM 437 N ASN A 29 14.256 10.119 -23.424 1.00 52.25 N ATOM 438 CA ASN A 29 14.114 9.686 -24.818 1.00 21.11 C ATOM 439 C ASN A 29 13.221 8.484 -24.853 1.00 70.04 C ATOM 440 O ASN A 29 13.367 7.561 -24.096 1.00 12.42 O ATOM 441 CB ASN A 29 15.431 9.277 -25.442 1.00 1.14 C ATOM 442 CG ASN A 29 16.442 10.359 -25.621 1.00 42.24 C ATOM 443 OD1 ASN A 29 17.625 10.105 -25.506 1.00 14.13 O ATOM 444 ND2 ASN A 29 16.017 11.505 -26.031 1.00 43.52 N ATOM 0 H ASN A 29 15.151 9.912 -22.980 1.00 52.25 H new ATOM 0 HA ASN A 29 13.711 10.530 -25.377 1.00 21.11 H new ATOM 0 HB2 ASN A 29 15.873 8.494 -24.826 1.00 1.14 H new ATOM 0 HB3 ASN A 29 15.225 8.836 -26.417 1.00 1.14 H new ATOM 0 HD21 ASN A 29 16.683 12.239 -26.273 1.00 43.52 H new ATOM 0 HD22 ASN A 29 15.015 11.678 -26.114 1.00 43.52 H new ATOM 451 N SER A 30 12.436 8.478 -25.915 1.00 23.11 N ATOM 452 CA SER A 30 11.328 7.539 -26.121 1.00 70.23 C ATOM 453 C SER A 30 11.989 6.285 -26.706 1.00 34.12 C ATOM 454 O SER A 30 11.976 5.208 -26.126 1.00 75.24 O ATOM 455 CB SER A 30 10.377 8.132 -27.174 1.00 70.30 C ATOM 456 OG SER A 30 9.941 9.443 -26.810 1.00 62.34 O ATOM 0 H SER A 30 12.547 9.140 -26.683 1.00 23.11 H new ATOM 0 HA SER A 30 10.768 7.334 -25.208 1.00 70.23 H new ATOM 0 HB2 SER A 30 10.881 8.171 -28.140 1.00 70.30 H new ATOM 0 HB3 SER A 30 9.512 7.480 -27.292 1.00 70.30 H new ATOM 0 HG SER A 30 9.012 9.405 -26.501 1.00 62.34 H new ATOM 462 N ALA A 31 12.573 6.509 -27.897 1.00 22.43 N ATOM 463 CA ALA A 31 13.384 5.498 -28.588 1.00 71.31 C ATOM 464 C ALA A 31 14.539 5.031 -27.693 1.00 10.00 C ATOM 465 O ALA A 31 14.675 3.866 -27.326 1.00 4.31 O ATOM 466 CB ALA A 31 13.916 6.046 -29.896 1.00 24.22 C ATOM 0 H ALA A 31 12.495 7.391 -28.403 1.00 22.43 H new ATOM 0 HA ALA A 31 12.749 4.640 -28.807 1.00 71.31 H new ATOM 0 HB1 ALA A 31 14.514 5.283 -30.394 1.00 24.22 H new ATOM 0 HB2 ALA A 31 13.082 6.329 -30.538 1.00 24.22 H new ATOM 0 HB3 ALA A 31 14.535 6.921 -29.699 1.00 24.22 H new ATOM 472 N LYS A 32 15.359 6.029 -27.373 1.00 74.43 N ATOM 473 CA LYS A 32 16.762 5.848 -26.925 1.00 24.21 C ATOM 474 C LYS A 32 16.941 5.563 -25.452 1.00 3.43 C ATOM 475 O LYS A 32 18.019 5.205 -24.991 1.00 64.22 O ATOM 476 CB LYS A 32 17.538 7.107 -27.249 1.00 10.22 C ATOM 477 CG LYS A 32 17.409 7.511 -28.680 1.00 3.15 C ATOM 478 CD LYS A 32 18.304 8.670 -29.023 1.00 13.43 C ATOM 479 CE LYS A 32 18.117 9.090 -30.470 1.00 64.43 C ATOM 480 NZ LYS A 32 18.872 10.311 -30.801 1.00 20.15 N ATOM 0 H LYS A 32 15.075 7.008 -27.414 1.00 74.43 H new ATOM 0 HA LYS A 32 17.124 4.967 -27.454 1.00 24.21 H new ATOM 0 HB2 LYS A 32 17.186 7.919 -26.613 1.00 10.22 H new ATOM 0 HB3 LYS A 32 18.591 6.951 -27.013 1.00 10.22 H new ATOM 0 HG2 LYS A 32 17.654 6.663 -29.319 1.00 3.15 H new ATOM 0 HG3 LYS A 32 16.373 7.779 -28.889 1.00 3.15 H new ATOM 0 HD2 LYS A 32 18.085 9.511 -28.365 1.00 13.43 H new ATOM 0 HD3 LYS A 32 19.345 8.394 -28.852 1.00 13.43 H new ATOM 0 HE2 LYS A 32 18.436 8.280 -31.125 1.00 64.43 H new ATOM 0 HE3 LYS A 32 17.057 9.257 -30.663 1.00 64.43 H new ATOM 0 HZ1 LYS A 32 18.713 10.558 -31.799 1.00 20.15 H new ATOM 0 HZ2 LYS A 32 18.550 11.093 -30.195 1.00 20.15 H new ATOM 0 HZ3 LYS A 32 19.887 10.145 -30.643 1.00 20.15 H new ATOM 494 N LYS A 33 15.820 5.733 -24.781 1.00 25.45 N ATOM 495 CA LYS A 33 15.697 5.369 -23.367 1.00 33.24 C ATOM 496 C LYS A 33 16.736 6.085 -22.487 1.00 15.11 C ATOM 497 O LYS A 33 17.302 5.504 -21.586 1.00 45.34 O ATOM 498 CB LYS A 33 15.847 3.868 -23.246 1.00 62.25 C ATOM 499 CG LYS A 33 14.774 3.209 -24.024 1.00 44.40 C ATOM 500 CD LYS A 33 14.703 1.759 -23.809 1.00 34.25 C ATOM 501 CE LYS A 33 13.369 1.349 -24.260 1.00 41.41 C ATOM 502 NZ LYS A 33 13.129 -0.097 -24.075 1.00 62.04 N ATOM 0 H LYS A 33 14.970 6.123 -25.188 1.00 25.45 H new ATOM 0 HA LYS A 33 14.717 5.686 -23.010 1.00 33.24 H new ATOM 0 HB2 LYS A 33 16.824 3.557 -23.615 1.00 62.25 H new ATOM 0 HB3 LYS A 33 15.791 3.568 -22.200 1.00 62.25 H new ATOM 0 HG2 LYS A 33 13.816 3.655 -23.758 1.00 44.40 H new ATOM 0 HG3 LYS A 33 14.933 3.404 -25.085 1.00 44.40 H new ATOM 0 HD2 LYS A 33 15.481 1.243 -24.371 1.00 34.25 H new ATOM 0 HD3 LYS A 33 14.853 1.512 -22.758 1.00 34.25 H new ATOM 0 HE2 LYS A 33 12.614 1.912 -23.711 1.00 41.41 H new ATOM 0 HE3 LYS A 33 13.252 1.602 -25.314 1.00 41.41 H new ATOM 0 HZ1 LYS A 33 12.173 -0.336 -24.409 1.00 62.04 H new ATOM 0 HZ2 LYS A 33 13.831 -0.638 -24.619 1.00 62.04 H new ATOM 0 HZ3 LYS A 33 13.213 -0.337 -23.067 1.00 62.04 H new ATOM 516 N GLN A 34 16.950 7.344 -22.781 1.00 45.02 N ATOM 517 CA GLN A 34 17.955 8.184 -22.117 1.00 13.13 C ATOM 518 C GLN A 34 17.238 9.373 -21.476 1.00 34.21 C ATOM 519 O GLN A 34 16.042 9.449 -21.503 1.00 31.12 O ATOM 520 CB GLN A 34 18.983 8.698 -23.142 1.00 23.55 C ATOM 521 CG GLN A 34 19.805 7.634 -23.859 1.00 61.40 C ATOM 522 CD GLN A 34 20.656 6.811 -22.921 1.00 14.42 C ATOM 523 OE1 GLN A 34 20.255 5.750 -22.443 1.00 0.31 O ATOM 524 NE2 GLN A 34 21.830 7.294 -22.640 1.00 51.13 N ATOM 0 H GLN A 34 16.426 7.838 -23.503 1.00 45.02 H new ATOM 0 HA GLN A 34 18.481 7.600 -21.361 1.00 13.13 H new ATOM 0 HB2 GLN A 34 18.455 9.286 -23.892 1.00 23.55 H new ATOM 0 HB3 GLN A 34 19.668 9.374 -22.631 1.00 23.55 H new ATOM 0 HG2 GLN A 34 19.134 6.972 -24.406 1.00 61.40 H new ATOM 0 HG3 GLN A 34 20.448 8.115 -24.596 1.00 61.40 H new ATOM 0 HE21 GLN A 34 22.131 8.176 -23.054 1.00 51.13 H new ATOM 0 HE22 GLN A 34 22.450 6.791 -22.006 1.00 51.13 H new ATOM 533 N CYS A 35 17.996 10.325 -21.000 1.00 25.12 N ATOM 534 CA CYS A 35 17.485 11.528 -20.348 1.00 24.51 C ATOM 535 C CYS A 35 18.313 12.577 -20.948 1.00 62.50 C ATOM 536 O CYS A 35 19.499 12.646 -20.631 1.00 3.41 O ATOM 537 CB CYS A 35 17.671 11.518 -18.814 1.00 5.04 C ATOM 538 SG CYS A 35 17.159 13.076 -17.973 1.00 74.43 S ATOM 0 H CYS A 35 19.014 10.296 -21.050 1.00 25.12 H new ATOM 0 HA CYS A 35 16.411 11.646 -20.490 1.00 24.51 H new ATOM 0 HB2 CYS A 35 17.099 10.690 -18.397 1.00 5.04 H new ATOM 0 HB3 CYS A 35 18.720 11.326 -18.589 1.00 5.04 H new ATOM 543 N VAL A 36 17.816 13.370 -21.848 1.00 30.33 N ATOM 544 CA VAL A 36 18.611 14.255 -22.615 1.00 2.21 C ATOM 545 C VAL A 36 17.943 15.609 -22.541 1.00 33.51 C ATOM 546 O VAL A 36 16.794 15.709 -22.161 1.00 45.25 O ATOM 547 CB VAL A 36 18.669 13.827 -24.107 1.00 72.30 C ATOM 548 CG1 VAL A 36 19.126 12.409 -24.261 1.00 60.52 C ATOM 549 CG2 VAL A 36 17.326 13.981 -24.769 1.00 44.22 C ATOM 0 H VAL A 36 16.821 13.414 -22.068 1.00 30.33 H new ATOM 0 HA VAL A 36 19.629 14.260 -22.225 1.00 2.21 H new ATOM 0 HB VAL A 36 19.391 14.485 -24.590 1.00 72.30 H new ATOM 0 HG11 VAL A 36 19.153 12.148 -25.319 1.00 60.52 H new ATOM 0 HG12 VAL A 36 20.123 12.300 -23.835 1.00 60.52 H new ATOM 0 HG13 VAL A 36 18.435 11.745 -23.741 1.00 60.52 H new ATOM 0 HG21 VAL A 36 17.397 13.674 -25.812 1.00 44.22 H new ATOM 0 HG22 VAL A 36 16.594 13.357 -24.256 1.00 44.22 H new ATOM 0 HG23 VAL A 36 17.013 15.024 -24.718 1.00 44.22 H new ATOM 559 N THR A 37 18.653 16.617 -22.894 1.00 4.43 N ATOM 560 CA THR A 37 18.154 17.952 -22.851 1.00 21.44 C ATOM 561 C THR A 37 17.337 18.389 -24.063 1.00 62.13 C ATOM 562 O THR A 37 17.481 17.854 -25.170 1.00 14.42 O ATOM 563 CB THR A 37 19.301 18.935 -22.596 1.00 15.52 C ATOM 564 OG1 THR A 37 20.344 18.713 -23.558 1.00 44.41 O ATOM 565 CG2 THR A 37 19.834 18.774 -21.194 1.00 34.20 C ATOM 0 H THR A 37 19.614 16.542 -23.227 1.00 4.43 H new ATOM 0 HA THR A 37 17.445 17.962 -22.023 1.00 21.44 H new ATOM 0 HB THR A 37 18.928 19.954 -22.701 1.00 15.52 H new ATOM 0 HG1 THR A 37 21.077 19.343 -23.397 1.00 44.41 H new ATOM 0 HG21 THR A 37 20.648 19.480 -21.031 1.00 34.20 H new ATOM 0 HG22 THR A 37 19.036 18.968 -20.477 1.00 34.20 H new ATOM 0 HG23 THR A 37 20.203 17.757 -21.060 1.00 34.20 H new ATOM 573 N PHE A 38 16.470 19.366 -23.817 1.00 72.25 N ATOM 574 CA PHE A 38 15.635 19.941 -24.806 1.00 35.44 C ATOM 575 C PHE A 38 15.454 21.361 -24.464 1.00 14.43 C ATOM 576 O PHE A 38 15.699 21.796 -23.313 1.00 14.11 O ATOM 577 CB PHE A 38 14.248 19.354 -24.882 1.00 20.21 C ATOM 578 CG PHE A 38 13.301 19.585 -23.747 1.00 13.43 C ATOM 579 CD1 PHE A 38 13.421 18.979 -22.521 1.00 54.40 C ATOM 580 CD2 PHE A 38 12.241 20.423 -23.972 1.00 31.25 C ATOM 581 CE1 PHE A 38 12.488 19.216 -21.543 1.00 70.02 C ATOM 582 CE2 PHE A 38 11.318 20.675 -23.026 1.00 23.10 C ATOM 583 CZ PHE A 38 11.433 20.071 -21.796 1.00 2.44 C ATOM 0 H PHE A 38 16.343 19.774 -22.891 1.00 72.25 H new ATOM 0 HA PHE A 38 16.127 19.757 -25.761 1.00 35.44 H new ATOM 0 HB2 PHE A 38 13.777 19.738 -25.787 1.00 20.21 H new ATOM 0 HB3 PHE A 38 14.353 18.277 -25.009 1.00 20.21 H new ATOM 0 HD1 PHE A 38 14.250 18.315 -22.326 1.00 54.40 H new ATOM 0 HD2 PHE A 38 12.143 20.896 -24.938 1.00 31.25 H new ATOM 0 HE1 PHE A 38 12.578 18.736 -20.580 1.00 70.02 H new ATOM 0 HE2 PHE A 38 10.496 21.344 -23.231 1.00 23.10 H new ATOM 0 HZ PHE A 38 10.699 20.265 -21.028 1.00 2.44 H new ATOM 593 N THR A 39 15.074 22.068 -25.427 1.00 61.31 N ATOM 594 CA THR A 39 14.773 23.439 -25.302 1.00 14.42 C ATOM 595 C THR A 39 13.368 23.582 -24.699 1.00 4.14 C ATOM 596 O THR A 39 12.359 23.243 -25.323 1.00 61.34 O ATOM 597 CB THR A 39 14.731 24.048 -26.687 1.00 22.54 C ATOM 598 OG1 THR A 39 15.990 23.792 -27.368 1.00 22.32 O ATOM 599 CG2 THR A 39 14.458 25.545 -26.624 1.00 15.34 C ATOM 0 H THR A 39 14.954 21.706 -26.373 1.00 61.31 H new ATOM 0 HA THR A 39 15.520 23.928 -24.676 1.00 14.42 H new ATOM 0 HB THR A 39 13.916 23.586 -27.244 1.00 22.54 H new ATOM 0 HG1 THR A 39 15.962 24.185 -28.265 1.00 22.32 H new ATOM 0 HG21 THR A 39 14.434 25.953 -27.634 1.00 15.34 H new ATOM 0 HG22 THR A 39 13.498 25.720 -26.139 1.00 15.34 H new ATOM 0 HG23 THR A 39 15.247 26.035 -26.053 1.00 15.34 H new ATOM 607 N TYR A 40 13.334 24.078 -23.501 1.00 75.33 N ATOM 608 CA TYR A 40 12.049 24.267 -22.886 1.00 14.31 C ATOM 609 C TYR A 40 11.761 25.697 -22.799 1.00 63.01 C ATOM 610 O TYR A 40 12.432 26.408 -22.076 1.00 33.21 O ATOM 611 CB TYR A 40 11.986 23.630 -21.510 1.00 2.04 C ATOM 612 CG TYR A 40 10.654 23.740 -20.744 1.00 22.53 C ATOM 613 CD1 TYR A 40 9.643 22.780 -20.886 1.00 32.04 C ATOM 614 CD2 TYR A 40 10.427 24.788 -19.853 1.00 34.14 C ATOM 615 CE1 TYR A 40 8.464 22.876 -20.181 1.00 0.10 C ATOM 616 CE2 TYR A 40 9.246 24.880 -19.142 1.00 2.10 C ATOM 617 CZ TYR A 40 8.268 23.922 -19.313 1.00 52.44 C ATOM 618 OH TYR A 40 7.083 24.006 -18.603 1.00 43.35 O ATOM 0 H TYR A 40 14.144 24.351 -22.944 1.00 75.33 H new ATOM 0 HA TYR A 40 11.297 23.777 -23.504 1.00 14.31 H new ATOM 0 HB2 TYR A 40 12.229 22.573 -21.616 1.00 2.04 H new ATOM 0 HB3 TYR A 40 12.767 24.076 -20.895 1.00 2.04 H new ATOM 0 HD1 TYR A 40 9.791 21.950 -21.561 1.00 32.04 H new ATOM 0 HD2 TYR A 40 11.188 25.542 -19.716 1.00 34.14 H new ATOM 0 HE1 TYR A 40 7.694 22.130 -20.311 1.00 0.10 H new ATOM 0 HE2 TYR A 40 9.089 25.699 -18.455 1.00 2.10 H new ATOM 0 HH TYR A 40 7.100 24.802 -18.032 1.00 43.35 H new ATOM 628 N ASN A 41 10.826 26.136 -23.579 1.00 32.14 N ATOM 629 CA ASN A 41 10.497 27.513 -23.606 1.00 0.22 C ATOM 630 C ASN A 41 9.429 27.833 -22.638 1.00 11.43 C ATOM 631 O ASN A 41 9.366 28.952 -22.135 1.00 4.00 O ATOM 632 CB ASN A 41 10.199 28.005 -24.992 1.00 11.04 C ATOM 633 CG ASN A 41 11.397 27.977 -25.910 1.00 3.30 C ATOM 634 OD1 ASN A 41 11.265 27.757 -27.101 1.00 12.45 O ATOM 635 ND2 ASN A 41 12.561 28.229 -25.370 1.00 55.04 N ATOM 0 H ASN A 41 10.276 25.551 -24.208 1.00 32.14 H new ATOM 0 HA ASN A 41 11.382 28.062 -23.286 1.00 0.22 H new ATOM 0 HB2 ASN A 41 9.406 27.394 -25.423 1.00 11.04 H new ATOM 0 HB3 ASN A 41 9.820 29.025 -24.933 1.00 11.04 H new ATOM 0 HD21 ASN A 41 13.400 28.246 -25.951 1.00 55.04 H new ATOM 0 HD22 ASN A 41 12.630 28.408 -24.368 1.00 55.04 H new ATOM 642 N GLY A 42 8.554 26.887 -22.378 1.00 44.21 N ATOM 643 CA GLY A 42 7.710 27.096 -21.264 1.00 33.04 C ATOM 644 C GLY A 42 6.269 27.401 -21.509 1.00 33.32 C ATOM 645 O GLY A 42 5.620 27.871 -20.576 1.00 12.45 O ATOM 0 H GLY A 42 8.424 26.020 -22.898 1.00 44.21 H new ATOM 0 HA2 GLY A 42 7.758 26.204 -20.639 1.00 33.04 H new ATOM 0 HA3 GLY A 42 8.128 27.917 -20.681 1.00 33.04 H new ATOM 649 N LYS A 43 5.687 27.177 -22.680 1.00 65.11 N ATOM 650 CA LYS A 43 4.320 27.552 -22.919 1.00 63.31 C ATOM 651 C LYS A 43 3.572 26.378 -23.591 1.00 1.44 C ATOM 652 O LYS A 43 3.593 25.235 -23.125 1.00 23.31 O ATOM 653 CB LYS A 43 4.289 28.744 -23.935 1.00 72.42 C ATOM 654 CG LYS A 43 5.116 29.969 -23.658 1.00 5.33 C ATOM 655 CD LYS A 43 4.554 31.136 -24.456 1.00 63.45 C ATOM 656 CE LYS A 43 3.141 31.486 -23.987 1.00 5.54 C ATOM 657 NZ LYS A 43 2.466 32.430 -24.887 1.00 33.52 N ATOM 0 H LYS A 43 6.151 26.736 -23.474 1.00 65.11 H new ATOM 0 HA LYS A 43 3.857 27.821 -21.970 1.00 63.31 H new ATOM 0 HB2 LYS A 43 4.595 28.355 -24.906 1.00 72.42 H new ATOM 0 HB3 LYS A 43 3.252 29.064 -24.033 1.00 72.42 H new ATOM 0 HG2 LYS A 43 5.102 30.200 -22.593 1.00 5.33 H new ATOM 0 HG3 LYS A 43 6.156 29.791 -23.932 1.00 5.33 H new ATOM 0 HD2 LYS A 43 5.204 32.004 -24.346 1.00 63.45 H new ATOM 0 HD3 LYS A 43 4.538 30.883 -25.516 1.00 63.45 H new ATOM 0 HE2 LYS A 43 2.550 30.573 -23.914 1.00 5.54 H new ATOM 0 HE3 LYS A 43 3.190 31.915 -22.986 1.00 5.54 H new ATOM 0 HZ1 LYS A 43 1.513 32.634 -24.524 1.00 33.52 H new ATOM 0 HZ2 LYS A 43 3.013 33.313 -24.938 1.00 33.52 H new ATOM 0 HZ3 LYS A 43 2.393 32.012 -25.837 1.00 33.52 H new ATOM 671 N GLY A 44 2.920 26.791 -24.662 1.00 74.02 N ATOM 672 CA GLY A 44 2.235 25.919 -25.602 1.00 20.41 C ATOM 673 C GLY A 44 2.666 24.477 -25.739 1.00 30.51 C ATOM 674 O GLY A 44 3.839 24.162 -25.990 1.00 34.25 O ATOM 0 H GLY A 44 2.850 27.778 -24.911 1.00 74.02 H new ATOM 0 HA2 GLY A 44 1.178 25.919 -25.335 1.00 20.41 H new ATOM 0 HA3 GLY A 44 2.314 26.377 -26.588 1.00 20.41 H new ATOM 678 N GLY A 45 1.669 23.629 -25.612 1.00 63.02 N ATOM 679 CA GLY A 45 1.841 22.240 -25.876 1.00 43.30 C ATOM 680 C GLY A 45 2.354 21.432 -24.707 1.00 63.55 C ATOM 681 O GLY A 45 2.223 21.819 -23.528 1.00 34.34 O ATOM 0 H GLY A 45 0.727 23.893 -25.324 1.00 63.02 H new ATOM 0 HA2 GLY A 45 0.885 21.824 -26.196 1.00 43.30 H new ATOM 0 HA3 GLY A 45 2.533 22.126 -26.710 1.00 43.30 H new ATOM 685 N ASN A 46 2.877 20.265 -25.068 1.00 54.33 N ATOM 686 CA ASN A 46 3.357 19.353 -24.023 1.00 74.25 C ATOM 687 C ASN A 46 4.552 19.764 -23.210 1.00 45.20 C ATOM 688 O ASN A 46 5.556 20.280 -23.671 1.00 23.31 O ATOM 689 CB ASN A 46 3.518 17.914 -24.541 1.00 40.23 C ATOM 690 CG ASN A 46 2.194 17.272 -24.945 1.00 2.11 C ATOM 691 OD1 ASN A 46 1.141 17.573 -24.383 1.00 53.04 O ATOM 692 ND2 ASN A 46 2.237 16.396 -25.914 1.00 12.11 N ATOM 0 H ASN A 46 2.979 19.934 -26.027 1.00 54.33 H new ATOM 0 HA ASN A 46 2.542 19.411 -23.301 1.00 74.25 H new ATOM 0 HB2 ASN A 46 4.191 17.916 -25.399 1.00 40.23 H new ATOM 0 HB3 ASN A 46 3.989 17.306 -23.768 1.00 40.23 H new ATOM 0 HD21 ASN A 46 1.381 15.938 -26.226 1.00 12.11 H new ATOM 0 HD22 ASN A 46 3.127 16.170 -26.358 1.00 12.11 H new ATOM 699 N GLY A 47 4.380 19.411 -21.961 1.00 12.31 N ATOM 700 CA GLY A 47 5.320 19.763 -20.947 1.00 15.15 C ATOM 701 C GLY A 47 6.138 18.624 -20.449 1.00 54.14 C ATOM 702 O GLY A 47 6.334 18.488 -19.234 1.00 51.42 O ATOM 0 H GLY A 47 3.582 18.871 -21.626 1.00 12.31 H new ATOM 0 HA2 GLY A 47 5.987 20.531 -21.337 1.00 15.15 H new ATOM 0 HA3 GLY A 47 4.783 20.204 -20.107 1.00 15.15 H new ATOM 706 N ASN A 48 6.569 17.766 -21.345 1.00 20.43 N ATOM 707 CA ASN A 48 7.507 16.735 -20.938 1.00 50.15 C ATOM 708 C ASN A 48 8.835 17.393 -20.678 1.00 14.23 C ATOM 709 O ASN A 48 9.581 17.685 -21.603 1.00 33.00 O ATOM 710 CB ASN A 48 7.675 15.617 -21.963 1.00 31.05 C ATOM 711 CG ASN A 48 8.659 14.573 -21.448 1.00 72.14 C ATOM 712 OD1 ASN A 48 8.789 14.376 -20.245 1.00 51.24 O ATOM 713 ND2 ASN A 48 9.342 13.900 -22.326 1.00 64.13 N ATOM 0 H ASN A 48 6.299 17.755 -22.329 1.00 20.43 H new ATOM 0 HA ASN A 48 7.109 16.258 -20.042 1.00 50.15 H new ATOM 0 HB2 ASN A 48 6.711 15.150 -22.164 1.00 31.05 H new ATOM 0 HB3 ASN A 48 8.032 16.030 -22.907 1.00 31.05 H new ATOM 0 HD21 ASN A 48 10.005 13.188 -22.020 1.00 64.13 H new ATOM 0 HD22 ASN A 48 9.215 14.084 -23.321 1.00 64.13 H new ATOM 720 N ASN A 49 9.093 17.652 -19.432 1.00 5.30 N ATOM 721 CA ASN A 49 10.207 18.365 -18.915 1.00 1.11 C ATOM 722 C ASN A 49 10.562 17.787 -17.575 1.00 40.33 C ATOM 723 O ASN A 49 9.699 17.712 -16.698 1.00 2.20 O ATOM 724 CB ASN A 49 9.755 19.815 -18.686 1.00 42.22 C ATOM 725 CG ASN A 49 10.777 20.685 -17.983 1.00 73.15 C ATOM 726 OD1 ASN A 49 11.962 20.483 -18.096 1.00 3.54 O ATOM 727 ND2 ASN A 49 10.299 21.640 -17.219 1.00 53.25 N ATOM 0 H ASN A 49 8.468 17.338 -18.689 1.00 5.30 H new ATOM 0 HA ASN A 49 11.055 18.308 -19.597 1.00 1.11 H new ATOM 0 HB2 ASN A 49 9.514 20.264 -19.650 1.00 42.22 H new ATOM 0 HB3 ASN A 49 8.836 19.808 -18.099 1.00 42.22 H new ATOM 0 HD21 ASN A 49 10.936 22.241 -16.696 1.00 53.25 H new ATOM 0 HD22 ASN A 49 9.291 21.781 -17.149 1.00 53.25 H new ATOM 734 N PHE A 50 11.774 17.344 -17.400 1.00 3.31 N ATOM 735 CA PHE A 50 12.231 16.950 -16.105 1.00 33.23 C ATOM 736 C PHE A 50 13.246 18.004 -15.697 1.00 62.24 C ATOM 737 O PHE A 50 14.388 18.026 -16.148 1.00 11.52 O ATOM 738 CB PHE A 50 12.777 15.468 -16.081 1.00 43.01 C ATOM 739 CG PHE A 50 11.747 14.508 -16.613 1.00 60.11 C ATOM 740 CD1 PHE A 50 10.582 14.258 -15.907 1.00 50.42 C ATOM 741 CD2 PHE A 50 11.931 13.881 -17.832 1.00 74.34 C ATOM 742 CE1 PHE A 50 9.620 13.408 -16.408 1.00 53.32 C ATOM 743 CE2 PHE A 50 10.977 13.023 -18.336 1.00 52.42 C ATOM 744 CZ PHE A 50 9.818 12.788 -17.625 1.00 32.15 C ATOM 0 H PHE A 50 12.464 17.248 -18.145 1.00 3.31 H new ATOM 0 HA PHE A 50 11.420 16.913 -15.377 1.00 33.23 H new ATOM 0 HB2 PHE A 50 13.686 15.401 -16.679 1.00 43.01 H new ATOM 0 HB3 PHE A 50 13.046 15.191 -15.061 1.00 43.01 H new ATOM 0 HD1 PHE A 50 10.425 14.736 -14.951 1.00 50.42 H new ATOM 0 HD2 PHE A 50 12.833 14.066 -18.396 1.00 74.34 H new ATOM 0 HE1 PHE A 50 8.713 13.227 -15.850 1.00 53.32 H new ATOM 0 HE2 PHE A 50 11.137 12.535 -19.286 1.00 52.42 H new ATOM 0 HZ PHE A 50 9.067 12.120 -18.020 1.00 32.15 H new ATOM 754 N SER A 51 12.775 18.894 -14.852 1.00 11.42 N ATOM 755 CA SER A 51 13.472 20.147 -14.585 1.00 4.24 C ATOM 756 C SER A 51 14.502 19.941 -13.487 1.00 33.24 C ATOM 757 O SER A 51 15.223 20.868 -13.130 1.00 42.12 O ATOM 758 CB SER A 51 12.433 21.182 -14.186 1.00 72.15 C ATOM 759 OG SER A 51 11.636 20.697 -13.111 1.00 2.13 O ATOM 0 H SER A 51 11.906 18.778 -14.331 1.00 11.42 H new ATOM 0 HA SER A 51 14.006 20.493 -15.470 1.00 4.24 H new ATOM 0 HB2 SER A 51 12.927 22.108 -13.892 1.00 72.15 H new ATOM 0 HB3 SER A 51 11.798 21.417 -15.040 1.00 72.15 H new ATOM 0 HG SER A 51 10.973 21.375 -12.864 1.00 2.13 H new ATOM 765 N ARG A 52 14.573 18.772 -12.954 1.00 32.24 N ATOM 766 CA ARG A 52 15.590 18.467 -12.001 1.00 70.31 C ATOM 767 C ARG A 52 16.290 17.269 -12.530 1.00 44.10 C ATOM 768 O ARG A 52 15.646 16.306 -12.990 1.00 43.34 O ATOM 769 CB ARG A 52 15.034 18.157 -10.595 1.00 43.20 C ATOM 770 CG ARG A 52 14.242 19.267 -9.909 1.00 13.21 C ATOM 771 CD ARG A 52 12.846 19.345 -10.471 1.00 14.52 C ATOM 772 NE ARG A 52 12.018 20.365 -9.850 1.00 12.24 N ATOM 773 CZ ARG A 52 10.771 20.148 -9.453 1.00 23.22 C ATOM 774 NH1 ARG A 52 10.344 18.892 -9.297 1.00 74.13 N ATOM 775 NH2 ARG A 52 9.976 21.169 -9.132 1.00 35.15 N ATOM 0 H ARG A 52 13.935 18.004 -13.162 1.00 32.24 H new ATOM 0 HA ARG A 52 16.244 19.330 -11.878 1.00 70.31 H new ATOM 0 HB2 ARG A 52 14.393 17.278 -10.669 1.00 43.20 H new ATOM 0 HB3 ARG A 52 15.871 17.888 -9.950 1.00 43.20 H new ATOM 0 HG2 ARG A 52 14.198 19.081 -8.836 1.00 13.21 H new ATOM 0 HG3 ARG A 52 14.749 20.222 -10.046 1.00 13.21 H new ATOM 0 HD2 ARG A 52 12.906 19.542 -11.541 1.00 14.52 H new ATOM 0 HD3 ARG A 52 12.362 18.376 -10.352 1.00 14.52 H new ATOM 0 HE ARG A 52 12.416 21.294 -9.712 1.00 12.24 H new ATOM 0 HH11 ARG A 52 10.975 18.112 -9.483 1.00 74.13 H new ATOM 0 HH12 ARG A 52 9.387 18.713 -8.992 1.00 74.13 H new ATOM 0 HH21 ARG A 52 10.325 22.125 -9.191 1.00 35.15 H new ATOM 0 HH22 ARG A 52 9.018 20.994 -8.828 1.00 35.15 H new ATOM 789 N THR A 53 17.600 17.331 -12.480 1.00 41.51 N ATOM 790 CA THR A 53 18.464 16.293 -12.966 1.00 23.44 C ATOM 791 C THR A 53 18.167 14.970 -12.251 1.00 52.20 C ATOM 792 O THR A 53 18.159 13.927 -12.867 1.00 24.43 O ATOM 793 CB THR A 53 19.941 16.698 -12.773 1.00 51.13 C ATOM 794 OG1 THR A 53 20.170 17.981 -13.404 1.00 14.40 O ATOM 795 CG2 THR A 53 20.870 15.669 -13.390 1.00 74.45 C ATOM 0 H THR A 53 18.103 18.128 -12.089 1.00 41.51 H new ATOM 0 HA THR A 53 18.279 16.153 -14.031 1.00 23.44 H new ATOM 0 HB THR A 53 20.147 16.758 -11.704 1.00 51.13 H new ATOM 0 HG1 THR A 53 21.106 18.243 -13.282 1.00 14.40 H new ATOM 0 HG21 THR A 53 21.905 15.977 -13.241 1.00 74.45 H new ATOM 0 HG22 THR A 53 20.708 14.701 -12.915 1.00 74.45 H new ATOM 0 HG23 THR A 53 20.666 15.588 -14.458 1.00 74.45 H new ATOM 803 N ASN A 54 17.857 15.039 -10.958 1.00 61.51 N ATOM 804 CA ASN A 54 17.509 13.841 -10.188 1.00 14.24 C ATOM 805 C ASN A 54 16.059 13.441 -10.413 1.00 33.31 C ATOM 806 O ASN A 54 15.650 12.321 -10.102 1.00 64.42 O ATOM 807 CB ASN A 54 17.819 13.967 -8.696 1.00 44.14 C ATOM 808 CG ASN A 54 19.294 14.091 -8.397 1.00 11.54 C ATOM 809 OD1 ASN A 54 20.150 13.610 -9.153 1.00 34.15 O ATOM 810 ND2 ASN A 54 19.616 14.708 -7.296 1.00 21.24 N ATOM 0 H ASN A 54 17.839 15.906 -10.421 1.00 61.51 H new ATOM 0 HA ASN A 54 18.151 13.045 -10.566 1.00 14.24 H new ATOM 0 HB2 ASN A 54 17.301 14.839 -8.297 1.00 44.14 H new ATOM 0 HB3 ASN A 54 17.423 13.095 -8.175 1.00 44.14 H new ATOM 0 HD21 ASN A 54 20.597 14.806 -7.035 1.00 21.24 H new ATOM 0 HD22 ASN A 54 18.887 15.093 -6.695 1.00 21.24 H new ATOM 817 N ASP A 55 15.308 14.340 -11.001 1.00 74.22 N ATOM 818 CA ASP A 55 13.899 14.045 -11.242 1.00 2.25 C ATOM 819 C ASP A 55 13.658 13.193 -12.456 1.00 55.10 C ATOM 820 O ASP A 55 12.723 12.386 -12.456 1.00 11.44 O ATOM 821 CB ASP A 55 12.922 15.251 -11.162 1.00 74.23 C ATOM 822 CG ASP A 55 12.735 15.841 -9.762 1.00 74.12 C ATOM 823 OD1 ASP A 55 13.616 15.689 -8.902 1.00 62.33 O ATOM 824 OD2 ASP A 55 11.673 16.472 -9.504 1.00 63.44 O ATOM 0 H ASP A 55 15.626 15.256 -11.316 1.00 74.22 H new ATOM 0 HA ASP A 55 13.640 13.441 -10.373 1.00 2.25 H new ATOM 0 HB2 ASP A 55 13.283 16.037 -11.826 1.00 74.23 H new ATOM 0 HB3 ASP A 55 11.949 14.937 -11.540 1.00 74.23 H new ATOM 829 N CYS A 56 14.460 13.341 -13.522 1.00 1.11 N ATOM 830 CA CYS A 56 14.300 12.416 -14.624 1.00 14.35 C ATOM 831 C CYS A 56 14.752 11.070 -14.200 1.00 13.41 C ATOM 832 O CYS A 56 14.234 10.107 -14.636 1.00 52.52 O ATOM 833 CB CYS A 56 15.030 12.775 -15.918 1.00 64.00 C ATOM 834 SG CYS A 56 16.838 12.797 -15.962 1.00 12.44 S ATOM 0 H CYS A 56 15.182 14.053 -13.633 1.00 1.11 H new ATOM 0 HA CYS A 56 13.237 12.457 -14.863 1.00 14.35 H new ATOM 0 HB2 CYS A 56 14.696 12.074 -16.683 1.00 64.00 H new ATOM 0 HB3 CYS A 56 14.687 13.765 -16.220 1.00 64.00 H new ATOM 839 N ARG A 57 15.737 11.027 -13.352 1.00 14.23 N ATOM 840 CA ARG A 57 16.249 9.777 -12.797 1.00 2.03 C ATOM 841 C ARG A 57 15.119 8.974 -12.166 1.00 12.14 C ATOM 842 O ARG A 57 15.010 7.772 -12.389 1.00 52.20 O ATOM 843 CB ARG A 57 17.273 10.105 -11.745 1.00 14.20 C ATOM 844 CG ARG A 57 18.328 11.030 -12.251 1.00 61.22 C ATOM 845 CD ARG A 57 19.526 11.046 -11.334 1.00 2.33 C ATOM 846 NE ARG A 57 20.291 9.801 -11.385 1.00 50.53 N ATOM 847 CZ ARG A 57 20.391 8.920 -10.386 1.00 52.31 C ATOM 848 NH1 ARG A 57 19.644 9.055 -9.290 1.00 10.23 N ATOM 849 NH2 ARG A 57 21.201 7.881 -10.507 1.00 62.12 N ATOM 0 H ARG A 57 16.222 11.858 -13.014 1.00 14.23 H new ATOM 0 HA ARG A 57 16.696 9.183 -13.594 1.00 2.03 H new ATOM 0 HB2 ARG A 57 16.777 10.558 -10.887 1.00 14.20 H new ATOM 0 HB3 ARG A 57 17.738 9.184 -11.394 1.00 14.20 H new ATOM 0 HG2 ARG A 57 18.636 10.723 -13.250 1.00 61.22 H new ATOM 0 HG3 ARG A 57 17.921 12.037 -12.339 1.00 61.22 H new ATOM 0 HD2 ARG A 57 20.175 11.878 -11.606 1.00 2.33 H new ATOM 0 HD3 ARG A 57 19.193 11.222 -10.311 1.00 2.33 H new ATOM 0 HE ARG A 57 20.787 9.589 -12.251 1.00 50.53 H new ATOM 0 HH11 ARG A 57 18.991 9.835 -9.211 1.00 10.23 H new ATOM 0 HH12 ARG A 57 19.725 8.379 -8.531 1.00 10.23 H new ATOM 0 HH21 ARG A 57 21.746 7.756 -11.360 1.00 62.12 H new ATOM 0 HH22 ARG A 57 21.281 7.205 -9.747 1.00 62.12 H new ATOM 863 N GLN A 58 14.319 9.663 -11.346 1.00 22.43 N ATOM 864 CA GLN A 58 13.121 9.087 -10.690 1.00 51.11 C ATOM 865 C GLN A 58 12.296 8.352 -11.663 1.00 63.51 C ATOM 866 O GLN A 58 12.063 7.156 -11.543 1.00 2.31 O ATOM 867 CB GLN A 58 12.244 10.175 -10.107 1.00 53.04 C ATOM 868 CG GLN A 58 12.898 11.088 -9.095 1.00 43.44 C ATOM 869 CD GLN A 58 13.223 10.420 -7.776 1.00 61.11 C ATOM 870 OE1 GLN A 58 13.511 9.227 -7.702 1.00 23.43 O ATOM 871 NE2 GLN A 58 13.151 11.177 -6.731 1.00 73.30 N ATOM 0 H GLN A 58 14.478 10.643 -11.112 1.00 22.43 H new ATOM 0 HA GLN A 58 13.483 8.423 -9.905 1.00 51.11 H new ATOM 0 HB2 GLN A 58 11.866 10.786 -10.926 1.00 53.04 H new ATOM 0 HB3 GLN A 58 11.381 9.704 -9.636 1.00 53.04 H new ATOM 0 HG2 GLN A 58 13.817 11.488 -9.523 1.00 43.44 H new ATOM 0 HG3 GLN A 58 12.239 11.936 -8.908 1.00 43.44 H new ATOM 0 HE21 GLN A 58 12.909 12.163 -6.831 1.00 73.30 H new ATOM 0 HE22 GLN A 58 13.336 10.789 -5.806 1.00 73.30 H new ATOM 880 N THR A 59 11.824 9.115 -12.537 1.00 54.45 N ATOM 881 CA THR A 59 11.139 8.791 -13.666 1.00 74.05 C ATOM 882 C THR A 59 11.824 7.646 -14.395 1.00 52.33 C ATOM 883 O THR A 59 11.464 6.471 -14.238 1.00 11.13 O ATOM 884 CB THR A 59 11.279 10.167 -14.400 1.00 35.13 C ATOM 885 OG1 THR A 59 10.580 11.208 -13.726 1.00 20.25 O ATOM 886 CG2 THR A 59 11.076 10.221 -15.850 1.00 62.04 C ATOM 0 H THR A 59 11.933 10.126 -12.451 1.00 54.45 H new ATOM 0 HA THR A 59 10.116 8.434 -13.550 1.00 74.05 H new ATOM 0 HB THR A 59 12.354 10.332 -14.329 1.00 35.13 H new ATOM 0 HG1 THR A 59 11.216 11.754 -13.218 1.00 20.25 H new ATOM 0 HG21 THR A 59 11.209 11.245 -16.198 1.00 62.04 H new ATOM 0 HG22 THR A 59 11.800 9.573 -16.343 1.00 62.04 H new ATOM 0 HG23 THR A 59 10.067 9.885 -16.089 1.00 62.04 H new ATOM 894 N CYS A 60 12.808 7.982 -15.058 1.00 44.42 N ATOM 895 CA CYS A 60 13.338 7.167 -16.092 1.00 63.24 C ATOM 896 C CYS A 60 14.506 7.805 -16.688 1.00 52.40 C ATOM 897 O CYS A 60 14.360 8.813 -17.387 1.00 21.11 O ATOM 898 CB CYS A 60 12.366 7.028 -17.303 1.00 61.23 C ATOM 899 SG CYS A 60 10.702 6.333 -17.082 1.00 13.34 S ATOM 0 H CYS A 60 13.311 8.858 -14.918 1.00 44.42 H new ATOM 0 HA CYS A 60 13.542 6.207 -15.617 1.00 63.24 H new ATOM 0 HB2 CYS A 60 12.244 8.023 -17.732 1.00 61.23 H new ATOM 0 HB3 CYS A 60 12.872 6.418 -18.052 1.00 61.23 H new