USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 369 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 SER OG : rot -150:sc= -0.405 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 171:sc= 0.339 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.156 K(o=-0.16,f=-0.87) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.51! USER MOD Single : A 21 LYS NZ :NH3+ -151:sc= -0.115 (180deg=-0.602) USER MOD Single : A 24 GLN : amide:sc= 0.0302 K(o=0.03,f=-3.8!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 173:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -4.51! C(o=-4.5!,f=-14!) USER MOD Single : A 30 SER OG : rot -88:sc= 1.09 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=-0.00117 K(o=-0.0012,f=-1) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00192 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= -3.01! K(o=-3!,f=-0.057) USER MOD Single : A 46 ASN : amide:sc= 1.12 K(o=1.1,f=-0.035) USER MOD Single : A 48 ASN : amide:sc= -0.482 K(o=-0.48,f=-2) USER MOD Single : A 49 ASN : amide:sc= -1.1 K(o=-1.1,f=-7.1!) 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= -0.0127 K(o=-0.013,f=-1.6!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 59 THR OG1 : rot 109:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 9 4.733 9.991 -19.922 1.00 65.21 N ATOM 135 CA TYR A 9 5.401 11.196 -20.193 1.00 63.41 C ATOM 136 C TYR A 9 6.804 10.897 -20.507 1.00 53.30 C ATOM 137 O TYR A 9 7.384 11.550 -21.330 1.00 54.53 O ATOM 138 CB TYR A 9 5.346 12.043 -18.949 1.00 22.23 C ATOM 139 CG TYR A 9 3.977 12.501 -18.608 1.00 21.43 C ATOM 140 CD1 TYR A 9 3.094 12.800 -19.615 1.00 13.42 C ATOM 141 CD2 TYR A 9 3.574 12.654 -17.295 1.00 11.43 C ATOM 142 CE1 TYR A 9 1.816 13.252 -19.333 1.00 54.42 C ATOM 143 CE2 TYR A 9 2.313 13.109 -16.994 1.00 31.42 C ATOM 144 CZ TYR A 9 1.435 13.410 -18.012 1.00 63.35 C ATOM 145 OH TYR A 9 0.179 13.884 -17.699 1.00 63.01 O ATOM 0 HA TYR A 9 4.939 11.716 -21.032 1.00 63.41 H new ATOM 0 HB2 TYR A 9 5.749 11.473 -18.112 1.00 22.23 H new ATOM 0 HB3 TYR A 9 5.990 12.913 -19.082 1.00 22.23 H new ATOM 0 HD1 TYR A 9 3.401 12.681 -20.644 1.00 13.42 H new ATOM 0 HD2 TYR A 9 4.259 12.413 -16.495 1.00 11.43 H new ATOM 0 HE1 TYR A 9 1.126 13.478 -20.133 1.00 54.42 H new ATOM 0 HE2 TYR A 9 2.011 13.230 -15.964 1.00 31.42 H new ATOM 0 HH TYR A 9 0.080 13.931 -16.725 1.00 63.01 H new ATOM 155 N CYS A 10 7.327 9.837 -19.825 1.00 34.34 N ATOM 156 CA CYS A 10 8.672 9.366 -20.026 1.00 4.32 C ATOM 157 C CYS A 10 8.950 9.292 -21.492 1.00 13.22 C ATOM 158 O CYS A 10 9.915 9.834 -21.981 1.00 1.44 O ATOM 159 CB CYS A 10 8.808 7.927 -19.560 1.00 25.41 C ATOM 160 SG CYS A 10 8.510 7.632 -17.821 1.00 24.11 S ATOM 0 H CYS A 10 6.804 9.306 -19.128 1.00 34.34 H new ATOM 0 HA CYS A 10 9.336 10.041 -19.487 1.00 4.32 H new ATOM 0 HB2 CYS A 10 8.116 7.313 -20.136 1.00 25.41 H new ATOM 0 HB3 CYS A 10 9.814 7.582 -19.799 1.00 25.41 H new ATOM 165 N ASN A 11 8.000 8.750 -22.221 1.00 40.33 N ATOM 166 CA ASN A 11 8.284 8.414 -23.637 1.00 20.01 C ATOM 167 C ASN A 11 7.917 9.554 -24.577 1.00 30.41 C ATOM 168 O ASN A 11 8.068 9.424 -25.806 1.00 53.33 O ATOM 169 CB ASN A 11 7.569 7.190 -24.115 1.00 24.52 C ATOM 170 CG ASN A 11 7.772 5.940 -23.273 1.00 42.21 C ATOM 171 OD1 ASN A 11 8.837 5.723 -22.689 1.00 3.23 O ATOM 172 ND2 ASN A 11 6.738 5.136 -23.165 1.00 51.41 N ATOM 0 H ASN A 11 7.058 8.532 -21.895 1.00 40.33 H new ATOM 0 HA ASN A 11 9.358 8.229 -23.658 1.00 20.01 H new ATOM 0 HB2 ASN A 11 6.502 7.408 -24.158 1.00 24.52 H new ATOM 0 HB3 ASN A 11 7.892 6.977 -25.134 1.00 24.52 H new ATOM 0 HD21 ASN A 11 6.800 4.300 -22.583 1.00 51.41 H new ATOM 0 HD22 ASN A 11 5.873 5.348 -23.663 1.00 51.41 H new ATOM 179 N LEU A 12 7.448 10.655 -24.040 1.00 45.30 N ATOM 180 CA LEU A 12 6.929 11.745 -24.859 1.00 42.33 C ATOM 181 C LEU A 12 8.025 12.673 -25.372 1.00 33.41 C ATOM 182 O LEU A 12 8.978 12.980 -24.672 1.00 41.24 O ATOM 183 CB LEU A 12 5.872 12.553 -24.100 1.00 63.24 C ATOM 184 CG LEU A 12 4.580 11.820 -23.753 1.00 72.14 C ATOM 185 CD1 LEU A 12 3.614 12.760 -23.061 1.00 53.22 C ATOM 186 CD2 LEU A 12 3.946 11.240 -25.005 1.00 34.41 C ATOM 0 H LEU A 12 7.411 10.828 -23.035 1.00 45.30 H new ATOM 0 HA LEU A 12 6.466 11.276 -25.727 1.00 42.33 H new ATOM 0 HB2 LEU A 12 6.319 12.916 -23.174 1.00 63.24 H new ATOM 0 HB3 LEU A 12 5.618 13.429 -24.696 1.00 63.24 H new ATOM 0 HG LEU A 12 4.817 11.001 -23.075 1.00 72.14 H new ATOM 0 HD11 LEU A 12 2.696 12.225 -22.819 1.00 53.22 H new ATOM 0 HD12 LEU A 12 4.067 13.137 -22.144 1.00 53.22 H new ATOM 0 HD13 LEU A 12 3.383 13.596 -23.722 1.00 53.22 H new ATOM 0 HD21 LEU A 12 3.025 10.720 -24.739 1.00 34.41 H new ATOM 0 HD22 LEU A 12 3.720 12.045 -25.705 1.00 34.41 H new ATOM 0 HD23 LEU A 12 4.637 10.538 -25.471 1.00 34.41 H new ATOM 198 N PRO A 13 7.907 13.110 -26.627 1.00 22.43 N ATOM 199 CA PRO A 13 8.839 14.056 -27.222 1.00 71.21 C ATOM 200 C PRO A 13 8.576 15.475 -26.696 1.00 34.01 C ATOM 201 O PRO A 13 7.414 15.870 -26.482 1.00 53.41 O ATOM 202 CB PRO A 13 8.521 13.974 -28.729 1.00 35.31 C ATOM 203 CG PRO A 13 7.583 12.826 -28.880 1.00 44.11 C ATOM 204 CD PRO A 13 6.869 12.710 -27.580 1.00 21.34 C ATOM 0 HA PRO A 13 9.880 13.830 -26.991 1.00 71.21 H new ATOM 0 HB2 PRO A 13 8.068 14.899 -29.085 1.00 35.31 H new ATOM 0 HB3 PRO A 13 9.428 13.818 -29.313 1.00 35.31 H new ATOM 0 HG2 PRO A 13 6.882 12.999 -29.697 1.00 44.11 H new ATOM 0 HG3 PRO A 13 8.123 11.908 -29.112 1.00 44.11 H new ATOM 0 HD2 PRO A 13 5.998 13.364 -27.533 1.00 21.34 H new ATOM 0 HD3 PRO A 13 6.516 11.695 -27.397 1.00 21.34 H new ATOM 212 N ALA A 14 9.649 16.232 -26.528 1.00 70.03 N ATOM 213 CA ALA A 14 9.586 17.569 -25.980 1.00 63.40 C ATOM 214 C ALA A 14 8.859 18.546 -26.930 1.00 42.41 C ATOM 215 O ALA A 14 8.958 18.405 -28.150 1.00 21.51 O ATOM 216 CB ALA A 14 10.984 18.052 -25.690 1.00 32.21 C ATOM 0 H ALA A 14 10.592 15.930 -26.771 1.00 70.03 H new ATOM 0 HA ALA A 14 9.009 17.536 -25.056 1.00 63.40 H new ATOM 0 HB1 ALA A 14 10.942 19.060 -25.277 1.00 32.21 H new ATOM 0 HB2 ALA A 14 11.458 17.384 -24.971 1.00 32.21 H new ATOM 0 HB3 ALA A 14 11.564 18.062 -26.613 1.00 32.21 H new ATOM 222 N ASP A 15 8.183 19.531 -26.377 1.00 32.50 N ATOM 223 CA ASP A 15 7.650 20.661 -27.122 1.00 5.35 C ATOM 224 C ASP A 15 8.019 21.932 -26.425 1.00 3.13 C ATOM 225 O ASP A 15 7.716 22.128 -25.256 1.00 25.52 O ATOM 226 CB ASP A 15 6.146 20.621 -27.453 1.00 21.25 C ATOM 227 CG ASP A 15 5.728 19.567 -28.461 1.00 2.31 C ATOM 228 OD1 ASP A 15 6.016 19.755 -29.669 1.00 20.41 O ATOM 229 OD2 ASP A 15 5.022 18.596 -28.110 1.00 14.33 O ATOM 0 H ASP A 15 7.983 19.573 -25.378 1.00 32.50 H new ATOM 0 HA ASP A 15 8.118 20.601 -28.105 1.00 5.35 H new ATOM 0 HB2 ASP A 15 5.592 20.455 -26.529 1.00 21.25 H new ATOM 0 HB3 ASP A 15 5.849 21.599 -27.831 1.00 21.25 H new ATOM 234 N SER A 16 8.755 22.753 -27.104 1.00 60.54 N ATOM 235 CA SER A 16 9.343 23.897 -26.482 1.00 42.44 C ATOM 236 C SER A 16 8.415 25.132 -26.382 1.00 63.23 C ATOM 237 O SER A 16 8.470 25.874 -25.388 1.00 63.52 O ATOM 238 CB SER A 16 10.665 24.228 -27.132 1.00 60.44 C ATOM 239 OG SER A 16 10.525 24.387 -28.536 1.00 3.21 O ATOM 0 H SER A 16 8.964 22.651 -28.097 1.00 60.54 H new ATOM 0 HA SER A 16 9.519 23.617 -25.443 1.00 42.44 H new ATOM 0 HB2 SER A 16 11.066 25.144 -26.699 1.00 60.44 H new ATOM 0 HB3 SER A 16 11.384 23.435 -26.924 1.00 60.44 H new ATOM 0 HG SER A 16 11.396 24.602 -28.929 1.00 3.21 H new ATOM 245 N GLY A 17 7.520 25.309 -27.357 1.00 20.03 N ATOM 246 CA GLY A 17 6.692 26.506 -27.408 1.00 64.21 C ATOM 247 C GLY A 17 7.449 27.691 -27.995 1.00 63.10 C ATOM 248 O GLY A 17 8.566 27.583 -28.509 1.00 52.23 O ATOM 0 H GLY A 17 7.354 24.644 -28.112 1.00 20.03 H new ATOM 0 HA2 GLY A 17 5.804 26.309 -28.008 1.00 64.21 H new ATOM 0 HA3 GLY A 17 6.350 26.755 -26.403 1.00 64.21 H new ATOM 252 N SER A 18 6.776 28.825 -27.863 1.00 61.43 N ATOM 253 CA SER A 18 7.253 30.045 -28.561 1.00 33.44 C ATOM 254 C SER A 18 8.160 30.859 -27.643 1.00 30.35 C ATOM 255 O SER A 18 8.686 31.923 -27.968 1.00 25.40 O ATOM 256 CB SER A 18 6.064 30.838 -29.099 1.00 50.00 C ATOM 257 OG SER A 18 5.124 31.105 -28.059 1.00 12.45 O ATOM 0 H SER A 18 5.930 28.942 -27.306 1.00 61.43 H new ATOM 0 HA SER A 18 7.859 29.768 -29.424 1.00 33.44 H new ATOM 0 HB2 SER A 18 6.412 31.776 -29.531 1.00 50.00 H new ATOM 0 HB3 SER A 18 5.579 30.279 -29.899 1.00 50.00 H new ATOM 0 HG SER A 18 4.223 31.161 -28.439 1.00 12.45 H new ATOM 263 N GLY A 19 8.334 30.240 -26.544 1.00 53.04 N ATOM 264 CA GLY A 19 9.314 30.713 -25.641 1.00 60.43 C ATOM 265 C GLY A 19 8.858 31.790 -24.737 1.00 14.45 C ATOM 266 O GLY A 19 8.178 32.742 -25.139 1.00 51.20 O ATOM 0 H GLY A 19 7.819 29.412 -26.245 1.00 53.04 H new ATOM 0 HA2 GLY A 19 9.665 29.876 -25.037 1.00 60.43 H new ATOM 0 HA3 GLY A 19 10.169 31.075 -26.212 1.00 60.43 H new ATOM 270 N THR A 20 9.252 31.643 -23.534 1.00 74.42 N ATOM 271 CA THR A 20 9.038 32.570 -22.507 1.00 40.44 C ATOM 272 C THR A 20 10.174 32.503 -21.469 1.00 53.23 C ATOM 273 O THR A 20 10.921 33.466 -21.268 1.00 12.14 O ATOM 274 CB THR A 20 7.588 32.393 -21.940 1.00 43.13 C ATOM 275 OG1 THR A 20 6.487 32.756 -22.739 1.00 43.54 O ATOM 276 CG2 THR A 20 7.305 31.027 -21.295 1.00 40.31 C ATOM 0 H THR A 20 9.765 30.818 -23.224 1.00 74.42 H new ATOM 0 HA THR A 20 9.082 33.592 -22.884 1.00 40.44 H new ATOM 0 HB THR A 20 7.649 33.169 -21.177 1.00 43.13 H new ATOM 0 HG1 THR A 20 5.656 32.586 -22.248 1.00 43.54 H new ATOM 0 HG21 THR A 20 6.277 31.001 -20.933 1.00 40.31 H new ATOM 0 HG22 THR A 20 7.449 30.239 -22.034 1.00 40.31 H new ATOM 0 HG23 THR A 20 7.988 30.871 -20.460 1.00 40.31 H new ATOM 284 N LYS A 21 10.311 31.348 -20.884 1.00 32.54 N ATOM 285 CA LYS A 21 11.495 31.076 -20.104 1.00 12.35 C ATOM 286 C LYS A 21 12.289 29.972 -20.755 1.00 62.40 C ATOM 287 O LYS A 21 11.939 28.809 -20.643 1.00 73.12 O ATOM 288 CB LYS A 21 11.223 30.751 -18.630 1.00 24.44 C ATOM 289 CG LYS A 21 10.686 31.903 -17.811 1.00 11.21 C ATOM 290 CD LYS A 21 10.606 31.520 -16.343 1.00 24.12 C ATOM 291 CE LYS A 21 10.851 32.723 -15.439 1.00 13.10 C ATOM 292 NZ LYS A 21 12.236 33.237 -15.590 1.00 73.42 N ATOM 0 H LYS A 21 9.633 30.587 -20.927 1.00 32.54 H new ATOM 0 HA LYS A 21 12.071 32.001 -20.091 1.00 12.35 H new ATOM 0 HB2 LYS A 21 10.512 29.927 -18.580 1.00 24.44 H new ATOM 0 HB3 LYS A 21 12.149 30.401 -18.174 1.00 24.44 H new ATOM 0 HG2 LYS A 21 11.330 32.774 -17.931 1.00 11.21 H new ATOM 0 HG3 LYS A 21 9.698 32.185 -18.174 1.00 11.21 H new ATOM 0 HD2 LYS A 21 9.625 31.096 -16.129 1.00 24.12 H new ATOM 0 HD3 LYS A 21 11.342 30.745 -16.127 1.00 24.12 H new ATOM 0 HE2 LYS A 21 10.139 33.513 -15.680 1.00 13.10 H new ATOM 0 HE3 LYS A 21 10.676 32.442 -14.400 1.00 13.10 H new ATOM 0 HZ1 LYS A 21 12.542 33.677 -14.699 1.00 73.42 H new ATOM 0 HZ2 LYS A 21 12.875 32.450 -15.825 1.00 73.42 H new ATOM 0 HZ3 LYS A 21 12.263 33.944 -16.352 1.00 73.42 H new ATOM 306 N PRO A 22 13.343 30.336 -21.501 1.00 45.44 N ATOM 307 CA PRO A 22 14.248 29.380 -22.117 1.00 54.42 C ATOM 308 C PRO A 22 15.196 28.833 -21.075 1.00 31.54 C ATOM 309 O PRO A 22 16.092 29.545 -20.593 1.00 31.02 O ATOM 310 CB PRO A 22 15.011 30.222 -23.155 1.00 31.21 C ATOM 311 CG PRO A 22 14.304 31.533 -23.189 1.00 53.01 C ATOM 312 CD PRO A 22 13.724 31.706 -21.832 1.00 43.12 C ATOM 0 HA PRO A 22 13.740 28.525 -22.562 1.00 54.42 H new ATOM 0 HB2 PRO A 22 16.056 30.345 -22.871 1.00 31.21 H new ATOM 0 HB3 PRO A 22 15.001 29.744 -24.134 1.00 31.21 H new ATOM 0 HG2 PRO A 22 14.992 32.344 -23.428 1.00 53.01 H new ATOM 0 HG3 PRO A 22 13.526 31.540 -23.952 1.00 53.01 H new ATOM 0 HD2 PRO A 22 14.448 32.113 -21.125 1.00 43.12 H new ATOM 0 HD3 PRO A 22 12.868 32.381 -21.835 1.00 43.12 H new ATOM 320 N GLU A 23 14.997 27.598 -20.728 1.00 35.32 N ATOM 321 CA GLU A 23 15.724 26.955 -19.673 1.00 42.04 C ATOM 322 C GLU A 23 16.280 25.637 -20.195 1.00 33.43 C ATOM 323 O GLU A 23 15.888 25.176 -21.298 1.00 3.33 O ATOM 324 CB GLU A 23 14.731 26.620 -18.552 1.00 34.20 C ATOM 325 CG GLU A 23 14.001 27.805 -17.932 1.00 60.12 C ATOM 326 CD GLU A 23 14.926 28.750 -17.223 1.00 53.21 C ATOM 327 OE1 GLU A 23 15.675 28.293 -16.331 1.00 34.32 O ATOM 328 OE2 GLU A 23 14.913 29.951 -17.519 1.00 11.31 O ATOM 0 H GLU A 23 14.310 26.995 -21.180 1.00 35.32 H new ATOM 0 HA GLU A 23 16.527 27.601 -19.319 1.00 42.04 H new ATOM 0 HB2 GLU A 23 13.988 25.927 -18.947 1.00 34.20 H new ATOM 0 HB3 GLU A 23 15.268 26.096 -17.762 1.00 34.20 H new ATOM 0 HG2 GLU A 23 13.465 28.345 -18.713 1.00 60.12 H new ATOM 0 HG3 GLU A 23 13.254 27.438 -17.228 1.00 60.12 H new ATOM 335 N GLN A 24 17.173 25.020 -19.441 1.00 11.42 N ATOM 336 CA GLN A 24 17.534 23.659 -19.718 1.00 32.11 C ATOM 337 C GLN A 24 16.594 22.815 -18.960 1.00 13.43 C ATOM 338 O GLN A 24 16.416 23.044 -17.749 1.00 71.41 O ATOM 339 CB GLN A 24 18.982 23.286 -19.404 1.00 63.10 C ATOM 340 CG GLN A 24 19.991 23.998 -20.264 1.00 60.22 C ATOM 341 CD GLN A 24 20.542 25.262 -19.634 1.00 5.34 C ATOM 342 OE1 GLN A 24 19.891 25.910 -18.826 1.00 42.14 O ATOM 343 NE2 GLN A 24 21.725 25.632 -20.022 1.00 24.54 N ATOM 0 H GLN A 24 17.651 25.441 -18.644 1.00 11.42 H new ATOM 0 HA GLN A 24 17.465 23.504 -20.795 1.00 32.11 H new ATOM 0 HB2 GLN A 24 19.187 23.511 -18.357 1.00 63.10 H new ATOM 0 HB3 GLN A 24 19.106 22.210 -19.529 1.00 63.10 H new ATOM 0 HG2 GLN A 24 20.817 23.319 -20.478 1.00 60.22 H new ATOM 0 HG3 GLN A 24 19.529 24.250 -21.219 1.00 60.22 H new ATOM 0 HE21 GLN A 24 22.240 25.067 -20.698 1.00 24.54 H new ATOM 0 HE22 GLN A 24 22.139 26.487 -19.651 1.00 24.54 H new ATOM 352 N ARG A 25 16.026 21.848 -19.577 1.00 34.03 N ATOM 353 CA ARG A 25 15.230 20.870 -18.877 1.00 3.10 C ATOM 354 C ARG A 25 15.655 19.550 -19.323 1.00 1.01 C ATOM 355 O ARG A 25 16.503 19.475 -20.189 1.00 14.53 O ATOM 356 CB ARG A 25 13.786 21.036 -19.130 1.00 2.04 C ATOM 357 CG ARG A 25 13.225 22.339 -18.583 1.00 42.23 C ATOM 358 CD ARG A 25 13.537 22.463 -17.117 1.00 31.04 C ATOM 359 NE ARG A 25 12.888 23.597 -16.477 1.00 54.25 N ATOM 360 CZ ARG A 25 13.522 24.546 -15.788 1.00 33.51 C ATOM 361 NH1 ARG A 25 14.856 24.579 -15.763 1.00 73.21 N ATOM 362 NH2 ARG A 25 12.822 25.466 -15.141 1.00 74.54 N ATOM 0 H ARG A 25 16.090 21.698 -20.584 1.00 34.03 H new ATOM 0 HA ARG A 25 15.380 20.999 -17.805 1.00 3.10 H new ATOM 0 HB2 ARG A 25 13.605 20.993 -20.204 1.00 2.04 H new ATOM 0 HB3 ARG A 25 13.247 20.201 -18.683 1.00 2.04 H new ATOM 0 HG2 ARG A 25 13.651 23.183 -19.126 1.00 42.23 H new ATOM 0 HG3 ARG A 25 12.146 22.372 -18.737 1.00 42.23 H new ATOM 0 HD2 ARG A 25 13.232 21.547 -16.611 1.00 31.04 H new ATOM 0 HD3 ARG A 25 14.616 22.553 -16.990 1.00 31.04 H new ATOM 0 HE ARG A 25 11.874 23.671 -16.562 1.00 54.25 H new ATOM 0 HH11 ARG A 25 15.393 23.877 -16.272 1.00 73.21 H new ATOM 0 HH12 ARG A 25 15.338 25.306 -15.235 1.00 73.21 H new ATOM 0 HH21 ARG A 25 11.803 25.446 -15.171 1.00 74.54 H new ATOM 0 HH22 ARG A 25 13.302 26.194 -14.612 1.00 74.54 H new ATOM 376 N ILE A 26 15.056 18.507 -18.814 1.00 51.12 N ATOM 377 CA ILE A 26 15.581 17.214 -19.070 1.00 21.11 C ATOM 378 C ILE A 26 14.396 16.210 -19.241 1.00 0.21 C ATOM 379 O ILE A 26 13.472 16.217 -18.448 1.00 50.32 O ATOM 380 CB ILE A 26 16.403 16.770 -17.822 1.00 70.01 C ATOM 381 CG1 ILE A 26 17.405 17.833 -17.383 1.00 52.42 C ATOM 382 CG2 ILE A 26 17.230 15.604 -18.234 1.00 22.22 C ATOM 383 CD1 ILE A 26 17.873 17.653 -15.973 1.00 50.50 C ATOM 0 H ILE A 26 14.219 18.535 -18.231 1.00 51.12 H new ATOM 0 HA ILE A 26 16.200 17.230 -19.967 1.00 21.11 H new ATOM 0 HB ILE A 26 15.701 16.567 -17.013 1.00 70.01 H new ATOM 0 HG12 ILE A 26 18.266 17.810 -18.051 1.00 52.42 H new ATOM 0 HG13 ILE A 26 16.949 18.818 -17.485 1.00 52.42 H new ATOM 0 HG21 ILE A 26 17.823 15.261 -17.386 1.00 22.22 H new ATOM 0 HG22 ILE A 26 16.579 14.797 -18.572 1.00 22.22 H new ATOM 0 HG23 ILE A 26 17.895 15.898 -19.046 1.00 22.22 H new ATOM 0 HD11 ILE A 26 18.584 18.441 -15.722 1.00 50.50 H new ATOM 0 HD12 ILE A 26 17.020 17.705 -15.297 1.00 50.50 H new ATOM 0 HD13 ILE A 26 18.357 16.682 -15.872 1.00 50.50 H new ATOM 395 N TYR A 27 14.421 15.396 -20.273 1.00 64.43 N ATOM 396 CA TYR A 27 13.264 14.551 -20.633 1.00 43.43 C ATOM 397 C TYR A 27 13.826 13.161 -20.961 1.00 12.21 C ATOM 398 O TYR A 27 15.024 13.026 -21.263 1.00 31.02 O ATOM 399 CB TYR A 27 12.526 15.147 -21.875 1.00 44.22 C ATOM 400 CG TYR A 27 13.281 15.105 -23.186 1.00 3.35 C ATOM 401 CD1 TYR A 27 14.148 16.113 -23.556 1.00 61.24 C ATOM 402 CD2 TYR A 27 13.094 14.042 -24.065 1.00 41.15 C ATOM 403 CE1 TYR A 27 14.820 16.048 -24.777 1.00 60.42 C ATOM 404 CE2 TYR A 27 13.749 13.979 -25.268 1.00 70.02 C ATOM 405 CZ TYR A 27 14.615 14.978 -25.619 1.00 22.24 C ATOM 406 OH TYR A 27 15.259 14.925 -26.846 1.00 11.55 O ATOM 0 H TYR A 27 15.226 15.289 -20.891 1.00 64.43 H new ATOM 0 HA TYR A 27 12.542 14.500 -19.818 1.00 43.43 H new ATOM 0 HB2 TYR A 27 11.586 14.611 -22.004 1.00 44.22 H new ATOM 0 HB3 TYR A 27 12.274 16.185 -21.658 1.00 44.22 H new ATOM 0 HD1 TYR A 27 14.307 16.955 -22.898 1.00 61.24 H new ATOM 0 HD2 TYR A 27 12.416 13.247 -23.793 1.00 41.15 H new ATOM 0 HE1 TYR A 27 15.501 16.837 -25.062 1.00 60.42 H new ATOM 0 HE2 TYR A 27 13.582 13.146 -25.934 1.00 70.02 H new ATOM 0 HH TYR A 27 15.004 14.103 -27.314 1.00 11.55 H new ATOM 416 N TYR A 28 12.981 12.116 -20.870 1.00 1.42 N ATOM 417 CA TYR A 28 13.383 10.750 -21.179 1.00 42.40 C ATOM 418 C TYR A 28 13.325 10.564 -22.676 1.00 23.23 C ATOM 419 O TYR A 28 12.372 10.977 -23.337 1.00 31.45 O ATOM 420 CB TYR A 28 12.487 9.706 -20.458 1.00 20.45 C ATOM 421 CG TYR A 28 12.701 8.232 -20.794 1.00 51.12 C ATOM 422 CD1 TYR A 28 13.745 7.505 -20.287 1.00 41.24 C ATOM 423 CD2 TYR A 28 11.754 7.561 -21.512 1.00 65.25 C ATOM 424 CE1 TYR A 28 13.816 6.143 -20.473 1.00 60.03 C ATOM 425 CE2 TYR A 28 11.826 6.224 -21.735 1.00 4.42 C ATOM 426 CZ TYR A 28 12.846 5.514 -21.202 1.00 33.22 C ATOM 427 OH TYR A 28 12.872 4.152 -21.354 1.00 62.25 O ATOM 0 H TYR A 28 12.007 12.205 -20.581 1.00 1.42 H new ATOM 0 HA TYR A 28 14.399 10.588 -20.819 1.00 42.40 H new ATOM 0 HB2 TYR A 28 12.627 9.829 -19.384 1.00 20.45 H new ATOM 0 HB3 TYR A 28 11.447 9.951 -20.673 1.00 20.45 H new ATOM 0 HD1 TYR A 28 14.524 8.008 -19.733 1.00 41.24 H new ATOM 0 HD2 TYR A 28 10.918 8.113 -21.917 1.00 65.25 H new ATOM 0 HE1 TYR A 28 14.631 5.577 -20.047 1.00 60.03 H new ATOM 0 HE2 TYR A 28 11.074 5.731 -22.334 1.00 4.42 H new ATOM 0 HH TYR A 28 12.054 3.858 -21.807 1.00 62.25 H new ATOM 437 N ASN A 29 14.348 10.004 -23.174 1.00 10.23 N ATOM 438 CA ASN A 29 14.357 9.706 -24.585 1.00 23.21 C ATOM 439 C ASN A 29 13.462 8.517 -24.805 1.00 72.34 C ATOM 440 O ASN A 29 13.499 7.526 -24.103 1.00 63.23 O ATOM 441 CB ASN A 29 15.729 9.324 -25.070 1.00 13.30 C ATOM 442 CG ASN A 29 16.779 10.369 -24.842 1.00 22.23 C ATOM 443 OD1 ASN A 29 17.401 10.392 -23.821 1.00 44.33 O ATOM 444 ND2 ASN A 29 16.994 11.222 -25.798 1.00 71.23 N ATOM 0 H ASN A 29 15.187 9.737 -22.658 1.00 10.23 H new ATOM 0 HA ASN A 29 14.028 10.594 -25.125 1.00 23.21 H new ATOM 0 HB2 ASN A 29 16.035 8.404 -24.571 1.00 13.30 H new ATOM 0 HB3 ASN A 29 15.676 9.106 -26.137 1.00 13.30 H new ATOM 0 HD21 ASN A 29 17.711 11.939 -25.690 1.00 71.23 H new ATOM 0 HD22 ASN A 29 16.445 11.175 -26.657 1.00 71.23 H new ATOM 451 N SER A 30 12.803 8.621 -25.932 1.00 3.21 N ATOM 452 CA SER A 30 11.688 7.762 -26.349 1.00 21.21 C ATOM 453 C SER A 30 12.367 6.506 -26.961 1.00 62.44 C ATOM 454 O SER A 30 12.190 5.373 -26.516 1.00 3.30 O ATOM 455 CB SER A 30 10.926 8.518 -27.464 1.00 4.34 C ATOM 456 OG SER A 30 10.550 9.827 -27.026 1.00 11.04 O ATOM 0 H SER A 30 13.028 9.335 -26.625 1.00 3.21 H new ATOM 0 HA SER A 30 11.003 7.504 -25.541 1.00 21.21 H new ATOM 0 HB2 SER A 30 11.553 8.593 -28.352 1.00 4.34 H new ATOM 0 HB3 SER A 30 10.037 7.956 -27.748 1.00 4.34 H new ATOM 0 HG SER A 30 9.678 9.785 -26.581 1.00 11.04 H new ATOM 462 N ALA A 31 13.089 6.797 -28.044 1.00 0.12 N ATOM 463 CA ALA A 31 13.954 5.786 -28.690 1.00 5.24 C ATOM 464 C ALA A 31 15.009 5.259 -27.689 1.00 61.24 C ATOM 465 O ALA A 31 15.111 4.071 -27.402 1.00 3.15 O ATOM 466 CB ALA A 31 14.632 6.364 -29.924 1.00 71.24 C ATOM 0 H ALA A 31 13.099 7.712 -28.495 1.00 0.12 H new ATOM 0 HA ALA A 31 13.327 4.952 -29.005 1.00 5.24 H new ATOM 0 HB1 ALA A 31 15.263 5.603 -30.383 1.00 71.24 H new ATOM 0 HB2 ALA A 31 13.874 6.686 -30.638 1.00 71.24 H new ATOM 0 HB3 ALA A 31 15.245 7.218 -29.636 1.00 71.24 H new ATOM 472 N LYS A 32 15.768 6.213 -27.175 1.00 72.22 N ATOM 473 CA LYS A 32 17.107 5.935 -26.599 1.00 31.14 C ATOM 474 C LYS A 32 17.137 5.550 -25.138 1.00 60.34 C ATOM 475 O LYS A 32 18.097 4.968 -24.635 1.00 40.51 O ATOM 476 CB LYS A 32 17.988 7.149 -26.782 1.00 52.44 C ATOM 477 CG LYS A 32 18.028 7.613 -28.198 1.00 64.12 C ATOM 478 CD LYS A 32 19.101 8.638 -28.427 1.00 65.11 C ATOM 479 CE LYS A 32 19.091 9.110 -29.864 1.00 51.00 C ATOM 480 NZ LYS A 32 20.139 10.110 -30.119 1.00 52.53 N ATOM 0 H LYS A 32 15.493 7.195 -27.137 1.00 72.22 H new ATOM 0 HA LYS A 32 17.463 5.060 -27.143 1.00 31.14 H new ATOM 0 HB2 LYS A 32 17.625 7.957 -26.148 1.00 52.44 H new ATOM 0 HB3 LYS A 32 18.999 6.914 -26.451 1.00 52.44 H new ATOM 0 HG2 LYS A 32 18.197 6.759 -28.854 1.00 64.12 H new ATOM 0 HG3 LYS A 32 17.060 8.036 -28.468 1.00 64.12 H new ATOM 0 HD2 LYS A 32 18.949 9.486 -27.759 1.00 65.11 H new ATOM 0 HD3 LYS A 32 20.075 8.212 -28.185 1.00 65.11 H new ATOM 0 HE2 LYS A 32 19.234 8.257 -30.527 1.00 51.00 H new ATOM 0 HE3 LYS A 32 18.116 9.537 -30.099 1.00 51.00 H new ATOM 0 HZ1 LYS A 32 20.099 10.408 -31.114 1.00 52.53 H new ATOM 0 HZ2 LYS A 32 19.989 10.935 -29.504 1.00 52.53 H new ATOM 0 HZ3 LYS A 32 21.071 9.695 -29.919 1.00 52.53 H new ATOM 494 N LYS A 33 16.015 5.838 -24.528 1.00 73.42 N ATOM 495 CA LYS A 33 15.745 5.435 -23.154 1.00 71.44 C ATOM 496 C LYS A 33 16.791 5.963 -22.158 1.00 65.31 C ATOM 497 O LYS A 33 17.255 5.263 -21.275 1.00 34.21 O ATOM 498 CB LYS A 33 15.559 3.923 -23.095 1.00 54.23 C ATOM 499 CG LYS A 33 14.416 3.550 -23.997 1.00 1.12 C ATOM 500 CD LYS A 33 13.824 2.224 -23.720 1.00 2.40 C ATOM 501 CE LYS A 33 12.438 2.263 -24.282 1.00 5.23 C ATOM 502 NZ LYS A 33 11.668 1.041 -24.011 1.00 54.33 N ATOM 0 H LYS A 33 15.255 6.360 -24.964 1.00 73.42 H new ATOM 0 HA LYS A 33 14.814 5.901 -22.833 1.00 71.44 H new ATOM 0 HB2 LYS A 33 16.471 3.416 -23.410 1.00 54.23 H new ATOM 0 HB3 LYS A 33 15.354 3.606 -22.072 1.00 54.23 H new ATOM 0 HG2 LYS A 33 13.637 4.307 -23.908 1.00 1.12 H new ATOM 0 HG3 LYS A 33 14.763 3.570 -25.030 1.00 1.12 H new ATOM 0 HD2 LYS A 33 14.410 1.431 -24.184 1.00 2.40 H new ATOM 0 HD3 LYS A 33 13.805 2.022 -22.649 1.00 2.40 H new ATOM 0 HE2 LYS A 33 11.908 3.119 -23.864 1.00 5.23 H new ATOM 0 HE3 LYS A 33 12.494 2.418 -25.360 1.00 5.23 H new ATOM 0 HZ1 LYS A 33 10.718 1.130 -24.425 1.00 54.33 H new ATOM 0 HZ2 LYS A 33 12.154 0.224 -24.432 1.00 54.33 H new ATOM 0 HZ3 LYS A 33 11.586 0.903 -22.983 1.00 54.33 H new ATOM 516 N GLN A 34 17.103 7.223 -22.354 1.00 4.53 N ATOM 517 CA GLN A 34 18.075 7.984 -21.575 1.00 62.40 C ATOM 518 C GLN A 34 17.354 9.225 -21.070 1.00 73.43 C ATOM 519 O GLN A 34 16.155 9.370 -21.282 1.00 42.43 O ATOM 520 CB GLN A 34 19.281 8.395 -22.430 1.00 4.12 C ATOM 521 CG GLN A 34 20.133 7.261 -22.955 1.00 2.43 C ATOM 522 CD GLN A 34 21.315 7.783 -23.740 1.00 53.31 C ATOM 523 OE1 GLN A 34 21.820 8.875 -23.472 1.00 54.53 O ATOM 524 NE2 GLN A 34 21.785 7.024 -24.696 1.00 50.15 N ATOM 0 H GLN A 34 16.671 7.778 -23.093 1.00 4.53 H new ATOM 0 HA GLN A 34 18.457 7.376 -20.755 1.00 62.40 H new ATOM 0 HB2 GLN A 34 18.920 8.976 -23.279 1.00 4.12 H new ATOM 0 HB3 GLN A 34 19.914 9.056 -21.838 1.00 4.12 H new ATOM 0 HG2 GLN A 34 20.486 6.652 -22.122 1.00 2.43 H new ATOM 0 HG3 GLN A 34 19.529 6.613 -23.590 1.00 2.43 H new ATOM 0 HE21 GLN A 34 21.347 6.125 -24.895 1.00 50.15 H new ATOM 0 HE22 GLN A 34 22.590 7.331 -25.242 1.00 50.15 H new ATOM 533 N CYS A 35 18.110 10.159 -20.502 1.00 43.35 N ATOM 534 CA CYS A 35 17.492 11.349 -19.922 1.00 32.21 C ATOM 535 C CYS A 35 18.345 12.425 -20.441 1.00 32.23 C ATOM 536 O CYS A 35 19.464 12.606 -19.931 1.00 51.23 O ATOM 537 CB CYS A 35 17.601 11.366 -18.362 1.00 41.20 C ATOM 538 SG CYS A 35 16.664 12.730 -17.535 1.00 34.33 S ATOM 0 H CYS A 35 19.127 10.120 -20.430 1.00 43.35 H new ATOM 0 HA CYS A 35 16.432 11.419 -20.166 1.00 32.21 H new ATOM 0 HB2 CYS A 35 17.242 10.412 -17.976 1.00 41.20 H new ATOM 0 HB3 CYS A 35 18.652 11.447 -18.086 1.00 41.20 H new ATOM 543 N VAL A 36 17.952 13.124 -21.460 1.00 30.34 N ATOM 544 CA VAL A 36 18.730 14.149 -22.046 1.00 64.34 C ATOM 545 C VAL A 36 18.001 15.466 -21.869 1.00 31.55 C ATOM 546 O VAL A 36 16.818 15.495 -21.549 1.00 24.25 O ATOM 547 CB VAL A 36 18.929 13.921 -23.576 1.00 34.50 C ATOM 548 CG1 VAL A 36 19.513 12.566 -23.889 1.00 42.40 C ATOM 549 CG2 VAL A 36 17.626 14.075 -24.312 1.00 42.13 C ATOM 0 H VAL A 36 17.050 12.985 -21.915 1.00 30.34 H new ATOM 0 HA VAL A 36 19.706 14.151 -21.560 1.00 64.34 H new ATOM 0 HB VAL A 36 19.637 14.680 -23.908 1.00 34.50 H new ATOM 0 HG11 VAL A 36 19.630 12.461 -24.968 1.00 42.40 H new ATOM 0 HG12 VAL A 36 20.486 12.469 -23.407 1.00 42.40 H new ATOM 0 HG13 VAL A 36 18.846 11.788 -23.519 1.00 42.40 H new ATOM 0 HG21 VAL A 36 17.788 13.912 -25.377 1.00 42.13 H new ATOM 0 HG22 VAL A 36 16.908 13.345 -23.938 1.00 42.13 H new ATOM 0 HG23 VAL A 36 17.236 15.080 -24.154 1.00 42.13 H new ATOM 559 N THR A 37 18.698 16.523 -22.059 1.00 45.31 N ATOM 560 CA THR A 37 18.121 17.817 -21.929 1.00 12.02 C ATOM 561 C THR A 37 17.417 18.328 -23.185 1.00 44.20 C ATOM 562 O THR A 37 17.686 17.879 -24.308 1.00 13.45 O ATOM 563 CB THR A 37 19.186 18.847 -21.480 1.00 22.21 C ATOM 564 OG1 THR A 37 20.320 18.818 -22.366 1.00 14.30 O ATOM 565 CG2 THR A 37 19.625 18.580 -20.067 1.00 50.24 C ATOM 0 H THR A 37 19.687 16.521 -22.310 1.00 45.31 H new ATOM 0 HA THR A 37 17.349 17.707 -21.168 1.00 12.02 H new ATOM 0 HB THR A 37 18.736 19.839 -21.519 1.00 22.21 H new ATOM 0 HG1 THR A 37 20.983 19.476 -22.070 1.00 14.30 H new ATOM 0 HG21 THR A 37 20.373 19.316 -19.773 1.00 50.24 H new ATOM 0 HG22 THR A 37 18.766 18.650 -19.400 1.00 50.24 H new ATOM 0 HG23 THR A 37 20.054 17.580 -20.002 1.00 50.24 H new ATOM 573 N PHE A 38 16.537 19.283 -22.979 1.00 50.10 N ATOM 574 CA PHE A 38 15.827 19.873 -24.045 1.00 13.24 C ATOM 575 C PHE A 38 15.645 21.301 -23.767 1.00 63.43 C ATOM 576 O PHE A 38 15.766 21.768 -22.615 1.00 12.23 O ATOM 577 CB PHE A 38 14.458 19.290 -24.295 1.00 64.41 C ATOM 578 CG PHE A 38 13.385 19.498 -23.287 1.00 71.24 C ATOM 579 CD1 PHE A 38 13.317 18.822 -22.095 1.00 74.14 C ATOM 580 CD2 PHE A 38 12.393 20.384 -23.607 1.00 3.02 C ATOM 581 CE1 PHE A 38 12.264 19.040 -21.243 1.00 72.44 C ATOM 582 CE2 PHE A 38 11.354 20.623 -22.788 1.00 52.43 C ATOM 583 CZ PHE A 38 11.277 19.949 -21.588 1.00 2.51 C ATOM 0 H PHE A 38 16.308 19.659 -22.059 1.00 50.10 H new ATOM 0 HA PHE A 38 16.428 19.680 -24.933 1.00 13.24 H new ATOM 0 HB2 PHE A 38 14.099 19.690 -25.243 1.00 64.41 H new ATOM 0 HB3 PHE A 38 14.579 18.215 -24.428 1.00 64.41 H new ATOM 0 HD1 PHE A 38 14.092 18.119 -21.828 1.00 74.14 H new ATOM 0 HD2 PHE A 38 12.446 20.909 -24.549 1.00 3.02 H new ATOM 0 HE1 PHE A 38 12.205 18.505 -20.307 1.00 72.44 H new ATOM 0 HE2 PHE A 38 10.590 21.334 -23.067 1.00 52.43 H new ATOM 0 HZ PHE A 38 10.449 20.129 -20.918 1.00 2.51 H new ATOM 593 N THR A 39 15.375 21.985 -24.801 1.00 34.53 N ATOM 594 CA THR A 39 15.112 23.370 -24.780 1.00 32.45 C ATOM 595 C THR A 39 13.677 23.547 -24.308 1.00 13.04 C ATOM 596 O THR A 39 12.726 23.254 -25.045 1.00 62.43 O ATOM 597 CB THR A 39 15.156 23.885 -26.212 1.00 13.34 C ATOM 598 OG1 THR A 39 16.412 23.511 -26.821 1.00 1.31 O ATOM 599 CG2 THR A 39 15.015 25.395 -26.254 1.00 32.42 C ATOM 0 H THR A 39 15.328 21.579 -25.735 1.00 34.53 H new ATOM 0 HA THR A 39 15.829 23.890 -24.145 1.00 32.45 H new ATOM 0 HB THR A 39 14.324 23.442 -26.759 1.00 13.34 H new ATOM 0 HG1 THR A 39 16.439 23.841 -27.743 1.00 1.31 H new ATOM 0 HG21 THR A 39 15.050 25.735 -27.289 1.00 32.42 H new ATOM 0 HG22 THR A 39 14.063 25.684 -25.809 1.00 32.42 H new ATOM 0 HG23 THR A 39 15.831 25.852 -25.694 1.00 32.42 H new ATOM 607 N TYR A 40 13.528 23.957 -23.095 1.00 44.22 N ATOM 608 CA TYR A 40 12.206 24.172 -22.615 1.00 71.44 C ATOM 609 C TYR A 40 11.931 25.623 -22.626 1.00 15.40 C ATOM 610 O TYR A 40 12.603 26.376 -21.936 1.00 24.42 O ATOM 611 CB TYR A 40 12.028 23.573 -21.218 1.00 15.23 C ATOM 612 CG TYR A 40 10.629 23.671 -20.534 1.00 32.14 C ATOM 613 CD1 TYR A 40 10.294 24.781 -19.759 1.00 23.35 C ATOM 614 CD2 TYR A 40 9.671 22.621 -20.611 1.00 35.12 C ATOM 615 CE1 TYR A 40 9.076 24.857 -19.095 1.00 0.24 C ATOM 616 CE2 TYR A 40 8.460 22.715 -19.957 1.00 22.03 C ATOM 617 CZ TYR A 40 8.165 23.824 -19.205 1.00 1.34 C ATOM 618 OH TYR A 40 6.959 23.882 -18.524 1.00 0.32 O ATOM 0 H TYR A 40 14.281 24.146 -22.433 1.00 44.22 H new ATOM 0 HA TYR A 40 11.490 23.669 -23.264 1.00 71.44 H new ATOM 0 HB2 TYR A 40 12.295 22.518 -21.274 1.00 15.23 H new ATOM 0 HB3 TYR A 40 12.753 24.051 -20.559 1.00 15.23 H new ATOM 0 HD1 TYR A 40 10.995 25.598 -19.673 1.00 23.35 H new ATOM 0 HD2 TYR A 40 9.896 21.737 -21.190 1.00 35.12 H new ATOM 0 HE1 TYR A 40 8.841 25.723 -18.493 1.00 0.24 H new ATOM 0 HE2 TYR A 40 7.742 21.913 -20.037 1.00 22.03 H new ATOM 0 HH TYR A 40 6.437 23.074 -18.714 1.00 0.32 H new ATOM 628 N ASN A 41 11.061 26.045 -23.491 1.00 22.35 N ATOM 629 CA ASN A 41 10.768 27.435 -23.587 1.00 10.20 C ATOM 630 C ASN A 41 9.587 27.762 -22.754 1.00 4.12 C ATOM 631 O ASN A 41 9.372 28.919 -22.386 1.00 15.12 O ATOM 632 CB ASN A 41 10.657 27.926 -25.028 1.00 22.43 C ATOM 633 CG ASN A 41 11.967 27.877 -25.804 1.00 12.33 C ATOM 634 OD1 ASN A 41 11.978 27.717 -27.023 1.00 31.25 O ATOM 635 ND2 ASN A 41 13.068 28.030 -25.113 1.00 71.43 N ATOM 0 H ASN A 41 10.545 25.447 -24.137 1.00 22.35 H new ATOM 0 HA ASN A 41 11.616 27.989 -23.185 1.00 10.20 H new ATOM 0 HB2 ASN A 41 9.915 27.322 -25.550 1.00 22.43 H new ATOM 0 HB3 ASN A 41 10.288 28.952 -25.024 1.00 22.43 H new ATOM 0 HD21 ASN A 41 13.972 28.019 -25.585 1.00 71.43 H new ATOM 0 HD22 ASN A 41 13.022 28.161 -24.102 1.00 71.43 H new ATOM 642 N GLY A 42 8.790 26.749 -22.491 1.00 42.10 N ATOM 643 CA GLY A 42 7.835 26.879 -21.469 1.00 70.24 C ATOM 644 C GLY A 42 6.426 27.140 -21.861 1.00 54.54 C ATOM 645 O GLY A 42 5.660 27.551 -20.995 1.00 33.33 O ATOM 0 H GLY A 42 8.800 25.851 -22.974 1.00 42.10 H new ATOM 0 HA2 GLY A 42 7.853 25.964 -20.877 1.00 70.24 H new ATOM 0 HA3 GLY A 42 8.155 27.689 -20.814 1.00 70.24 H new ATOM 649 N LYS A 43 5.991 26.970 -23.101 1.00 14.53 N ATOM 650 CA LYS A 43 4.640 27.250 -23.498 1.00 61.41 C ATOM 651 C LYS A 43 4.146 26.059 -24.353 1.00 2.54 C ATOM 652 O LYS A 43 4.278 24.899 -23.981 1.00 21.42 O ATOM 653 CB LYS A 43 4.671 28.517 -24.434 1.00 3.31 C ATOM 654 CG LYS A 43 5.380 29.739 -23.915 1.00 71.13 C ATOM 655 CD LYS A 43 5.207 30.933 -24.851 1.00 0.01 C ATOM 656 CE LYS A 43 3.780 31.443 -24.914 1.00 21.32 C ATOM 657 NZ LYS A 43 3.669 32.598 -25.832 1.00 0.31 N ATOM 0 H LYS A 43 6.581 26.630 -23.860 1.00 14.53 H new ATOM 0 HA LYS A 43 4.000 27.410 -22.630 1.00 61.41 H new ATOM 0 HB2 LYS A 43 5.139 28.230 -25.376 1.00 3.31 H new ATOM 0 HB3 LYS A 43 3.642 28.795 -24.661 1.00 3.31 H new ATOM 0 HG2 LYS A 43 4.994 29.992 -22.928 1.00 71.13 H new ATOM 0 HG3 LYS A 43 6.441 29.521 -23.796 1.00 71.13 H new ATOM 0 HD2 LYS A 43 5.860 31.741 -24.522 1.00 0.01 H new ATOM 0 HD3 LYS A 43 5.529 30.650 -25.853 1.00 0.01 H new ATOM 0 HE2 LYS A 43 3.119 30.643 -25.248 1.00 21.32 H new ATOM 0 HE3 LYS A 43 3.450 31.734 -23.917 1.00 21.32 H new ATOM 0 HZ1 LYS A 43 2.666 32.832 -25.976 1.00 0.31 H new ATOM 0 HZ2 LYS A 43 4.160 33.417 -25.420 1.00 0.31 H new ATOM 0 HZ3 LYS A 43 4.103 32.358 -26.746 1.00 0.31 H new ATOM 671 N GLY A 44 3.656 26.481 -25.493 1.00 1.35 N ATOM 672 CA GLY A 44 3.205 25.620 -26.581 1.00 2.01 C ATOM 673 C GLY A 44 3.517 24.126 -26.557 1.00 60.34 C ATOM 674 O GLY A 44 4.669 23.703 -26.706 1.00 34.13 O ATOM 0 H GLY A 44 3.553 27.473 -25.706 1.00 1.35 H new ATOM 0 HA2 GLY A 44 2.122 25.723 -26.647 1.00 2.01 H new ATOM 0 HA3 GLY A 44 3.620 26.022 -27.505 1.00 2.01 H new ATOM 678 N GLY A 45 2.456 23.360 -26.434 1.00 53.31 N ATOM 679 CA GLY A 45 2.540 21.937 -26.603 1.00 2.13 C ATOM 680 C GLY A 45 2.961 21.141 -25.372 1.00 11.43 C ATOM 681 O GLY A 45 2.723 21.531 -24.223 1.00 14.33 O ATOM 0 H GLY A 45 1.522 23.707 -26.216 1.00 53.31 H new ATOM 0 HA2 GLY A 45 1.567 21.572 -26.932 1.00 2.13 H new ATOM 0 HA3 GLY A 45 3.247 21.728 -27.406 1.00 2.13 H new ATOM 685 N ASN A 46 3.569 19.988 -25.686 1.00 55.21 N ATOM 686 CA ASN A 46 4.004 19.064 -24.612 1.00 50.43 C ATOM 687 C ASN A 46 5.088 19.522 -23.669 1.00 64.31 C ATOM 688 O ASN A 46 6.078 20.163 -24.003 1.00 74.23 O ATOM 689 CB ASN A 46 4.392 17.670 -25.151 1.00 23.14 C ATOM 690 CG ASN A 46 3.240 16.896 -25.748 1.00 64.33 C ATOM 691 OD1 ASN A 46 2.528 16.177 -25.044 1.00 74.43 O ATOM 692 ND2 ASN A 46 3.080 16.985 -27.034 1.00 53.25 N ATOM 0 H ASN A 46 3.768 19.675 -26.636 1.00 55.21 H new ATOM 0 HA ASN A 46 3.096 19.031 -24.010 1.00 50.43 H new ATOM 0 HB2 ASN A 46 5.167 17.788 -25.908 1.00 23.14 H new ATOM 0 HB3 ASN A 46 4.826 17.086 -24.339 1.00 23.14 H new ATOM 0 HD21 ASN A 46 2.345 16.449 -27.495 1.00 53.25 H new ATOM 0 HD22 ASN A 46 3.689 17.591 -27.583 1.00 53.25 H new ATOM 699 N GLY A 47 4.830 19.071 -22.471 1.00 14.53 N ATOM 700 CA GLY A 47 5.653 19.392 -21.356 1.00 4.25 C ATOM 701 C GLY A 47 6.300 18.213 -20.718 1.00 40.22 C ATOM 702 O GLY A 47 6.254 18.072 -19.487 1.00 72.52 O ATOM 0 H GLY A 47 4.037 18.469 -22.249 1.00 14.53 H new ATOM 0 HA2 GLY A 47 6.428 20.088 -21.678 1.00 4.25 H new ATOM 0 HA3 GLY A 47 5.050 19.910 -20.610 1.00 4.25 H new ATOM 706 N ASN A 48 6.815 17.301 -21.525 1.00 52.42 N ATOM 707 CA ASN A 48 7.670 16.256 -20.962 1.00 51.31 C ATOM 708 C ASN A 48 8.929 16.948 -20.537 1.00 60.55 C ATOM 709 O ASN A 48 9.810 17.210 -21.339 1.00 74.33 O ATOM 710 CB ASN A 48 7.988 15.111 -21.935 1.00 50.13 C ATOM 711 CG ASN A 48 8.933 14.074 -21.297 1.00 23.11 C ATOM 712 OD1 ASN A 48 8.974 13.914 -20.074 1.00 12.14 O ATOM 713 ND2 ASN A 48 9.647 13.338 -22.108 1.00 11.10 N ATOM 0 H ASN A 48 6.668 17.256 -22.533 1.00 52.42 H new ATOM 0 HA ASN A 48 7.149 15.772 -20.136 1.00 51.31 H new ATOM 0 HB2 ASN A 48 7.062 14.623 -22.239 1.00 50.13 H new ATOM 0 HB3 ASN A 48 8.446 15.516 -22.837 1.00 50.13 H new ATOM 0 HD21 ASN A 48 10.256 12.611 -21.734 1.00 11.10 H new ATOM 0 HD22 ASN A 48 9.595 13.491 -23.115 1.00 11.10 H new ATOM 720 N ASN A 49 8.963 17.276 -19.293 1.00 23.32 N ATOM 721 CA ASN A 49 9.901 18.112 -18.661 1.00 64.52 C ATOM 722 C ASN A 49 10.194 17.611 -17.286 1.00 11.22 C ATOM 723 O ASN A 49 9.292 17.549 -16.448 1.00 2.23 O ATOM 724 CB ASN A 49 9.236 19.483 -18.515 1.00 12.43 C ATOM 725 CG ASN A 49 10.025 20.469 -17.689 1.00 54.41 C ATOM 726 OD1 ASN A 49 11.220 20.417 -17.620 1.00 35.35 O ATOM 727 ND2 ASN A 49 9.327 21.357 -17.029 1.00 73.21 N ATOM 0 H ASN A 49 8.264 16.928 -18.637 1.00 23.32 H new ATOM 0 HA ASN A 49 10.824 18.147 -19.240 1.00 64.52 H new ATOM 0 HB2 ASN A 49 9.076 19.904 -19.508 1.00 12.43 H new ATOM 0 HB3 ASN A 49 8.253 19.351 -18.062 1.00 12.43 H new ATOM 0 HD21 ASN A 49 9.799 22.035 -16.431 1.00 73.21 H new ATOM 0 HD22 ASN A 49 8.311 21.371 -17.112 1.00 73.21 H new ATOM 734 N PHE A 50 11.387 17.189 -17.051 1.00 61.22 N ATOM 735 CA PHE A 50 11.807 16.948 -15.708 1.00 20.34 C ATOM 736 C PHE A 50 12.955 17.903 -15.429 1.00 61.03 C ATOM 737 O PHE A 50 13.811 18.107 -16.277 1.00 42.04 O ATOM 738 CB PHE A 50 12.127 15.430 -15.431 1.00 51.15 C ATOM 739 CG PHE A 50 10.909 14.580 -15.636 1.00 74.13 C ATOM 740 CD1 PHE A 50 9.938 14.495 -14.651 1.00 12.42 C ATOM 741 CD2 PHE A 50 10.714 13.900 -16.825 1.00 3.53 C ATOM 742 CE1 PHE A 50 8.794 13.750 -14.850 1.00 12.24 C ATOM 743 CE2 PHE A 50 9.576 13.147 -17.028 1.00 73.21 C ATOM 744 CZ PHE A 50 8.613 13.074 -16.040 1.00 24.33 C ATOM 0 H PHE A 50 12.090 17.003 -17.766 1.00 61.22 H new ATOM 0 HA PHE A 50 11.001 17.149 -15.003 1.00 20.34 H new ATOM 0 HB2 PHE A 50 12.925 15.095 -16.094 1.00 51.15 H new ATOM 0 HB3 PHE A 50 12.491 15.311 -14.410 1.00 51.15 H new ATOM 0 HD1 PHE A 50 10.078 15.018 -13.717 1.00 12.42 H new ATOM 0 HD2 PHE A 50 11.461 13.959 -17.603 1.00 3.53 H new ATOM 0 HE1 PHE A 50 8.042 13.696 -14.077 1.00 12.24 H new ATOM 0 HE2 PHE A 50 9.438 12.615 -17.958 1.00 73.21 H new ATOM 0 HZ PHE A 50 7.719 12.489 -16.199 1.00 24.33 H new ATOM 754 N SER A 51 12.967 18.513 -14.285 1.00 22.13 N ATOM 755 CA SER A 51 13.924 19.563 -13.968 1.00 32.44 C ATOM 756 C SER A 51 14.936 19.090 -12.961 1.00 4.42 C ATOM 757 O SER A 51 15.821 19.850 -12.535 1.00 13.40 O ATOM 758 CB SER A 51 13.151 20.769 -13.430 1.00 13.43 C ATOM 759 OG SER A 51 12.323 20.391 -12.324 1.00 23.55 O ATOM 0 H SER A 51 12.314 18.305 -13.530 1.00 22.13 H new ATOM 0 HA SER A 51 14.473 19.840 -14.868 1.00 32.44 H new ATOM 0 HB2 SER A 51 13.850 21.545 -13.118 1.00 13.43 H new ATOM 0 HB3 SER A 51 12.535 21.195 -14.222 1.00 13.43 H new ATOM 0 HG SER A 51 11.839 21.177 -11.994 1.00 23.55 H new ATOM 765 N ARG A 52 14.836 17.857 -12.586 1.00 21.32 N ATOM 766 CA ARG A 52 15.752 17.262 -11.685 1.00 35.45 C ATOM 767 C ARG A 52 16.046 15.898 -12.237 1.00 31.31 C ATOM 768 O ARG A 52 15.129 15.145 -12.606 1.00 73.51 O ATOM 769 CB ARG A 52 15.163 17.174 -10.272 1.00 35.21 C ATOM 770 CG ARG A 52 14.913 18.522 -9.607 1.00 72.25 C ATOM 771 CD ARG A 52 14.562 18.394 -8.133 1.00 62.43 C ATOM 772 NE ARG A 52 13.380 17.569 -7.888 1.00 24.34 N ATOM 773 CZ ARG A 52 12.430 17.835 -6.985 1.00 31.25 C ATOM 774 NH1 ARG A 52 12.438 18.991 -6.320 1.00 10.13 N ATOM 775 NH2 ARG A 52 11.436 16.970 -6.800 1.00 31.44 N ATOM 0 H ARG A 52 14.100 17.228 -12.906 1.00 21.32 H new ATOM 0 HA ARG A 52 16.661 17.857 -11.595 1.00 35.45 H new ATOM 0 HB2 ARG A 52 14.222 16.626 -10.318 1.00 35.21 H new ATOM 0 HB3 ARG A 52 15.840 16.594 -9.645 1.00 35.21 H new ATOM 0 HG2 ARG A 52 15.802 19.144 -9.712 1.00 72.25 H new ATOM 0 HG3 ARG A 52 14.102 19.034 -10.126 1.00 72.25 H new ATOM 0 HD2 ARG A 52 15.411 17.966 -7.600 1.00 62.43 H new ATOM 0 HD3 ARG A 52 14.394 19.388 -7.719 1.00 62.43 H new ATOM 0 HE ARG A 52 13.271 16.725 -8.450 1.00 24.34 H new ATOM 0 HH11 ARG A 52 13.171 19.677 -6.499 1.00 10.13 H new ATOM 0 HH12 ARG A 52 11.711 19.189 -5.632 1.00 10.13 H new ATOM 0 HH21 ARG A 52 11.401 16.109 -7.346 1.00 31.44 H new ATOM 0 HH22 ARG A 52 10.709 17.168 -6.113 1.00 31.44 H new ATOM 789 N THR A 53 17.327 15.617 -12.347 1.00 12.31 N ATOM 790 CA THR A 53 17.849 14.406 -12.922 1.00 71.54 C ATOM 791 C THR A 53 17.333 13.176 -12.174 1.00 20.14 C ATOM 792 O THR A 53 17.002 12.177 -12.779 1.00 12.43 O ATOM 793 CB THR A 53 19.394 14.455 -12.899 1.00 12.33 C ATOM 794 OG1 THR A 53 19.824 15.664 -13.566 1.00 44.14 O ATOM 795 CG2 THR A 53 19.999 13.253 -13.615 1.00 52.32 C ATOM 0 H THR A 53 18.057 16.253 -12.025 1.00 12.31 H new ATOM 0 HA THR A 53 17.507 14.327 -13.954 1.00 71.54 H new ATOM 0 HB THR A 53 19.729 14.438 -11.862 1.00 12.33 H new ATOM 0 HG1 THR A 53 20.803 15.711 -13.559 1.00 44.14 H new ATOM 0 HG21 THR A 53 21.086 13.318 -13.580 1.00 52.32 H new ATOM 0 HG22 THR A 53 19.675 12.336 -13.124 1.00 52.32 H new ATOM 0 HG23 THR A 53 19.669 13.244 -14.654 1.00 52.32 H new ATOM 803 N ASN A 54 17.210 13.275 -10.873 1.00 72.23 N ATOM 804 CA ASN A 54 16.698 12.161 -10.096 1.00 1.10 C ATOM 805 C ASN A 54 15.207 11.983 -10.295 1.00 11.34 C ATOM 806 O ASN A 54 14.688 10.886 -10.137 1.00 4.11 O ATOM 807 CB ASN A 54 17.042 12.247 -8.602 1.00 63.30 C ATOM 808 CG ASN A 54 18.532 12.134 -8.302 1.00 14.25 C ATOM 809 OD1 ASN A 54 19.385 12.548 -9.087 1.00 63.31 O ATOM 810 ND2 ASN A 54 18.856 11.564 -7.173 1.00 42.22 N ATOM 0 H ASN A 54 17.453 14.104 -10.330 1.00 72.23 H new ATOM 0 HA ASN A 54 17.208 11.277 -10.479 1.00 1.10 H new ATOM 0 HB2 ASN A 54 16.673 13.194 -8.209 1.00 63.30 H new ATOM 0 HB3 ASN A 54 16.514 11.455 -8.072 1.00 63.30 H new ATOM 0 HD21 ASN A 54 19.838 11.452 -6.922 1.00 42.22 H new ATOM 0 HD22 ASN A 54 18.127 11.231 -6.542 1.00 42.22 H new ATOM 817 N ASP A 55 14.525 13.033 -10.745 1.00 41.15 N ATOM 818 CA ASP A 55 13.086 12.987 -10.958 1.00 33.32 C ATOM 819 C ASP A 55 12.772 12.354 -12.267 1.00 21.24 C ATOM 820 O ASP A 55 11.743 11.691 -12.407 1.00 31.31 O ATOM 821 CB ASP A 55 12.421 14.362 -10.837 1.00 14.23 C ATOM 822 CG ASP A 55 12.454 14.914 -9.446 1.00 12.41 C ATOM 823 OD1 ASP A 55 13.519 15.079 -8.878 1.00 1.53 O ATOM 824 OD2 ASP A 55 11.389 15.229 -8.895 1.00 70.12 O ATOM 0 H ASP A 55 14.952 13.931 -10.970 1.00 41.15 H new ATOM 0 HA ASP A 55 12.667 12.373 -10.160 1.00 33.32 H new ATOM 0 HB2 ASP A 55 12.920 15.060 -11.510 1.00 14.23 H new ATOM 0 HB3 ASP A 55 11.385 14.287 -11.167 1.00 14.23 H new ATOM 829 N CYS A 56 13.621 12.559 -13.261 1.00 44.24 N ATOM 830 CA CYS A 56 13.429 11.840 -14.480 1.00 22.05 C ATOM 831 C CYS A 56 13.705 10.383 -14.240 1.00 53.15 C ATOM 832 O CYS A 56 13.087 9.535 -14.837 1.00 11.13 O ATOM 833 CB CYS A 56 14.292 12.354 -15.676 1.00 63.01 C ATOM 834 SG CYS A 56 16.120 12.208 -15.617 1.00 22.54 S ATOM 0 H CYS A 56 14.418 13.196 -13.240 1.00 44.24 H new ATOM 0 HA CYS A 56 12.392 12.004 -14.775 1.00 22.05 H new ATOM 0 HB2 CYS A 56 13.953 11.829 -16.569 1.00 63.01 H new ATOM 0 HB3 CYS A 56 14.055 13.409 -15.817 1.00 63.01 H new ATOM 839 N ARG A 57 14.635 10.106 -13.368 1.00 34.42 N ATOM 840 CA ARG A 57 14.929 8.714 -13.027 1.00 34.31 C ATOM 841 C ARG A 57 13.752 8.035 -12.324 1.00 33.24 C ATOM 842 O ARG A 57 13.546 6.838 -12.501 1.00 64.54 O ATOM 843 CB ARG A 57 16.192 8.583 -12.215 1.00 62.22 C ATOM 844 CG ARG A 57 17.388 9.217 -12.875 1.00 22.31 C ATOM 845 CD ARG A 57 18.648 8.805 -12.154 1.00 70.42 C ATOM 846 NE ARG A 57 19.866 9.413 -12.696 1.00 22.14 N ATOM 847 CZ ARG A 57 21.033 9.452 -12.046 1.00 13.44 C ATOM 848 NH1 ARG A 57 21.119 8.984 -10.796 1.00 22.25 N ATOM 849 NH2 ARG A 57 22.094 9.967 -12.638 1.00 41.40 N ATOM 0 H ARG A 57 15.201 10.801 -12.881 1.00 34.42 H new ATOM 0 HA ARG A 57 15.092 8.195 -13.971 1.00 34.31 H new ATOM 0 HB2 ARG A 57 16.038 9.042 -11.238 1.00 62.22 H new ATOM 0 HB3 ARG A 57 16.398 7.527 -12.042 1.00 62.22 H new ATOM 0 HG2 ARG A 57 17.441 8.914 -13.921 1.00 22.31 H new ATOM 0 HG3 ARG A 57 17.289 10.302 -12.862 1.00 22.31 H new ATOM 0 HD2 ARG A 57 18.557 9.073 -11.101 1.00 70.42 H new ATOM 0 HD3 ARG A 57 18.743 7.720 -12.200 1.00 70.42 H new ATOM 0 HE ARG A 57 19.820 9.832 -13.625 1.00 22.14 H new ATOM 0 HH11 ARG A 57 20.294 8.597 -10.338 1.00 22.25 H new ATOM 0 HH12 ARG A 57 22.010 9.014 -10.300 1.00 22.25 H new ATOM 0 HH21 ARG A 57 22.021 10.333 -13.587 1.00 41.40 H new ATOM 0 HH22 ARG A 57 22.987 9.999 -12.146 1.00 41.40 H new ATOM 863 N GLN A 58 13.016 8.812 -11.518 1.00 51.33 N ATOM 864 CA GLN A 58 11.767 8.346 -10.840 1.00 50.50 C ATOM 865 C GLN A 58 10.857 7.707 -11.825 1.00 52.21 C ATOM 866 O GLN A 58 10.488 6.529 -11.720 1.00 71.21 O ATOM 867 CB GLN A 58 11.035 9.520 -10.212 1.00 44.12 C ATOM 868 CG GLN A 58 11.812 10.266 -9.142 1.00 71.30 C ATOM 869 CD GLN A 58 12.017 9.452 -7.896 1.00 4.24 C ATOM 870 OE1 GLN A 58 12.982 8.713 -7.776 1.00 33.53 O ATOM 871 NE2 GLN A 58 11.137 9.613 -6.948 1.00 23.12 N ATOM 0 H GLN A 58 13.256 9.781 -11.309 1.00 51.33 H new ATOM 0 HA GLN A 58 12.051 7.629 -10.070 1.00 50.50 H new ATOM 0 HB2 GLN A 58 10.765 10.223 -11.000 1.00 44.12 H new ATOM 0 HB3 GLN A 58 10.104 9.157 -9.776 1.00 44.12 H new ATOM 0 HG2 GLN A 58 12.782 10.559 -9.542 1.00 71.30 H new ATOM 0 HG3 GLN A 58 11.282 11.184 -8.888 1.00 71.30 H new ATOM 0 HE21 GLN A 58 10.345 10.240 -7.089 1.00 23.12 H new ATOM 0 HE22 GLN A 58 11.241 9.112 -6.066 1.00 23.12 H new ATOM 880 N THR A 59 10.461 8.540 -12.683 1.00 40.54 N ATOM 881 CA THR A 59 9.840 8.316 -13.863 1.00 23.11 C ATOM 882 C THR A 59 10.461 7.104 -14.574 1.00 62.43 C ATOM 883 O THR A 59 9.953 5.973 -14.475 1.00 0.41 O ATOM 884 CB THR A 59 10.216 9.685 -14.520 1.00 4.41 C ATOM 885 OG1 THR A 59 9.587 10.766 -13.840 1.00 4.32 O ATOM 886 CG2 THR A 59 10.139 9.837 -15.996 1.00 64.45 C ATOM 0 H THR A 59 10.597 9.539 -12.528 1.00 40.54 H new ATOM 0 HA THR A 59 8.777 8.074 -13.853 1.00 23.11 H new ATOM 0 HB THR A 59 11.297 9.705 -14.379 1.00 4.41 H new ATOM 0 HG1 THR A 59 10.260 11.274 -13.341 1.00 4.32 H new ATOM 0 HG21 THR A 59 10.434 10.849 -16.273 1.00 64.45 H new ATOM 0 HG22 THR A 59 10.809 9.120 -16.471 1.00 64.45 H new ATOM 0 HG23 THR A 59 9.117 9.654 -16.328 1.00 64.45 H new ATOM 894 N CYS A 60 11.503 7.327 -15.197 1.00 51.01 N ATOM 895 CA CYS A 60 12.003 6.387 -16.161 1.00 51.31 C ATOM 896 C CYS A 60 13.313 6.725 -16.584 1.00 73.24 C ATOM 897 O CYS A 60 13.409 7.343 -17.571 1.00 40.41 O ATOM 898 CB CYS A 60 11.201 6.422 -17.462 1.00 43.10 C ATOM 899 SG CYS A 60 9.493 5.894 -17.482 1.00 34.42 S ATOM 0 H CYS A 60 12.073 8.165 -15.083 1.00 51.01 H new ATOM 0 HA CYS A 60 11.949 5.422 -15.657 1.00 51.31 H new ATOM 0 HB2 CYS A 60 11.226 7.448 -17.829 1.00 43.10 H new ATOM 0 HB3 CYS A 60 11.737 5.810 -18.188 1.00 43.10 H new