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= -0.268 K(o=-0.27,f=-4.8!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00417 USER MOD Single : A 18 SER OG : rot 180:sc= -0.691 USER MOD Single : A 20 THR OG1 : rot 12:sc= -0.768 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.226 F(o=-1.8!,f=-0.23) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 150:sc= -0.893 USER MOD Single : A 29 ASN : amide:sc= -5.89! C(o=-5.9!,f=-5.9!) USER MOD Single : A 30 SER OG : rot -90:sc= 0.873 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= 0.364 X(o=0.36,f=-0.14) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.01 X(o=-1,f=-0.92) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 1.2 K(o=1.2,f=-0.038) USER MOD Single : A 48 ASN : amide:sc= 0.145 K(o=0.14,f=-1.3) USER MOD Single : A 49 ASN : amide:sc= -1.65! C(o=-1.7!,f=-4.7!) 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=-0.00175 K(o=-0.0018,f=-1.4) USER MOD Single : A 58 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.8!) USER MOD Single : A 59 THR OG1 : rot 109:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 9 5.397 10.024 -18.859 1.00 74.12 N ATOM 135 CA TYR A 9 6.247 11.194 -18.664 1.00 74.23 C ATOM 136 C TYR A 9 7.640 10.996 -19.140 1.00 4.40 C ATOM 137 O TYR A 9 8.132 11.799 -19.885 1.00 33.20 O ATOM 138 CB TYR A 9 6.232 11.599 -17.208 1.00 71.23 C ATOM 139 CG TYR A 9 4.877 12.083 -16.787 1.00 25.54 C ATOM 140 CD1 TYR A 9 4.010 12.573 -17.745 1.00 65.12 C ATOM 141 CD2 TYR A 9 4.458 12.054 -15.467 1.00 61.24 C ATOM 142 CE1 TYR A 9 2.754 13.029 -17.411 1.00 60.40 C ATOM 143 CE2 TYR A 9 3.200 12.508 -15.114 1.00 44.22 C ATOM 144 CZ TYR A 9 2.352 12.996 -16.092 1.00 11.30 C ATOM 145 OH TYR A 9 1.097 13.450 -15.750 1.00 55.33 O ATOM 0 HA TYR A 9 5.832 11.995 -19.276 1.00 74.23 H new ATOM 0 HB2 TYR A 9 6.525 10.750 -16.590 1.00 71.23 H new ATOM 0 HB3 TYR A 9 6.969 12.385 -17.040 1.00 71.23 H new ATOM 0 HD1 TYR A 9 4.324 12.599 -18.778 1.00 65.12 H new ATOM 0 HD2 TYR A 9 5.121 11.673 -14.705 1.00 61.24 H new ATOM 0 HE1 TYR A 9 2.091 13.409 -18.174 1.00 60.40 H new ATOM 0 HE2 TYR A 9 2.882 12.482 -14.082 1.00 44.22 H new ATOM 0 HH TYR A 9 0.968 13.358 -14.783 1.00 55.33 H new ATOM 155 N CYS A 10 8.251 9.896 -18.747 1.00 54.13 N ATOM 156 CA CYS A 10 9.585 9.595 -19.150 1.00 25.01 C ATOM 157 C CYS A 10 9.683 9.611 -20.695 1.00 42.42 C ATOM 158 O CYS A 10 10.521 10.273 -21.250 1.00 53.41 O ATOM 159 CB CYS A 10 9.901 8.168 -18.692 1.00 74.12 C ATOM 160 SG CYS A 10 9.644 7.868 -16.908 1.00 2.10 S ATOM 0 H CYS A 10 7.826 9.195 -18.140 1.00 54.13 H new ATOM 0 HA CYS A 10 10.271 10.326 -18.722 1.00 25.01 H new ATOM 0 HB2 CYS A 10 9.280 7.473 -19.257 1.00 74.12 H new ATOM 0 HB3 CYS A 10 10.938 7.942 -18.939 1.00 74.12 H new ATOM 165 N ASN A 11 8.717 9.059 -21.360 1.00 12.32 N ATOM 166 CA ASN A 11 8.809 8.796 -22.800 1.00 23.32 C ATOM 167 C ASN A 11 8.238 9.926 -23.617 1.00 2.02 C ATOM 168 O ASN A 11 8.132 9.820 -24.840 1.00 24.30 O ATOM 169 CB ASN A 11 8.171 7.501 -23.236 1.00 41.43 C ATOM 170 CG ASN A 11 8.694 6.241 -22.558 1.00 23.30 C ATOM 171 OD1 ASN A 11 9.130 6.258 -21.422 1.00 2.23 O ATOM 172 ND2 ASN A 11 8.634 5.134 -23.253 1.00 35.24 N ATOM 0 H ASN A 11 7.834 8.770 -20.939 1.00 12.32 H new ATOM 0 HA ASN A 11 9.879 8.709 -22.986 1.00 23.32 H new ATOM 0 HB2 ASN A 11 7.098 7.568 -23.056 1.00 41.43 H new ATOM 0 HB3 ASN A 11 8.308 7.395 -24.312 1.00 41.43 H new ATOM 0 HD21 ASN A 11 8.957 4.257 -22.844 1.00 35.24 H new ATOM 0 HD22 ASN A 11 8.264 5.148 -24.203 1.00 35.24 H new ATOM 179 N LEU A 12 7.805 10.968 -22.965 1.00 10.04 N ATOM 180 CA LEU A 12 7.143 12.061 -23.650 1.00 61.23 C ATOM 181 C LEU A 12 8.133 12.921 -24.435 1.00 44.40 C ATOM 182 O LEU A 12 9.225 13.223 -23.963 1.00 24.31 O ATOM 183 CB LEU A 12 6.359 12.932 -22.674 1.00 24.40 C ATOM 184 CG LEU A 12 5.166 12.298 -21.984 1.00 65.34 C ATOM 185 CD1 LEU A 12 4.508 13.319 -21.084 1.00 33.44 C ATOM 186 CD2 LEU A 12 4.167 11.763 -23.006 1.00 13.13 C ATOM 0 H LEU A 12 7.895 11.091 -21.956 1.00 10.04 H new ATOM 0 HA LEU A 12 6.446 11.612 -24.357 1.00 61.23 H new ATOM 0 HB2 LEU A 12 7.048 13.282 -21.905 1.00 24.40 H new ATOM 0 HB3 LEU A 12 6.009 13.813 -23.213 1.00 24.40 H new ATOM 0 HG LEU A 12 5.510 11.456 -21.384 1.00 65.34 H new ATOM 0 HD11 LEU A 12 3.650 12.866 -20.587 1.00 33.44 H new ATOM 0 HD12 LEU A 12 5.224 13.659 -20.335 1.00 33.44 H new ATOM 0 HD13 LEU A 12 4.175 14.169 -21.680 1.00 33.44 H new ATOM 0 HD21 LEU A 12 3.321 11.313 -22.487 1.00 13.13 H new ATOM 0 HD22 LEU A 12 3.814 12.582 -23.633 1.00 13.13 H new ATOM 0 HD23 LEU A 12 4.651 11.011 -23.629 1.00 13.13 H new ATOM 198 N PRO A 13 7.765 13.298 -25.653 1.00 54.24 N ATOM 199 CA PRO A 13 8.590 14.159 -26.489 1.00 70.33 C ATOM 200 C PRO A 13 8.549 15.610 -25.985 1.00 24.41 C ATOM 201 O PRO A 13 7.539 16.058 -25.426 1.00 41.14 O ATOM 202 CB PRO A 13 7.919 14.045 -27.863 1.00 45.40 C ATOM 203 CG PRO A 13 6.496 13.736 -27.570 1.00 34.02 C ATOM 204 CD PRO A 13 6.503 12.915 -26.319 1.00 4.43 C ATOM 0 HA PRO A 13 9.642 13.874 -26.495 1.00 70.33 H new ATOM 0 HB2 PRO A 13 8.014 14.973 -28.427 1.00 45.40 H new ATOM 0 HB3 PRO A 13 8.378 13.259 -28.463 1.00 45.40 H new ATOM 0 HG2 PRO A 13 5.918 14.650 -27.434 1.00 34.02 H new ATOM 0 HG3 PRO A 13 6.038 13.189 -28.394 1.00 34.02 H new ATOM 0 HD2 PRO A 13 5.638 13.133 -25.693 1.00 4.43 H new ATOM 0 HD3 PRO A 13 6.475 11.848 -26.541 1.00 4.43 H new ATOM 212 N ALA A 14 9.646 16.330 -26.166 1.00 5.52 N ATOM 213 CA ALA A 14 9.747 17.708 -25.738 1.00 70.23 C ATOM 214 C ALA A 14 8.848 18.628 -26.558 1.00 1.20 C ATOM 215 O ALA A 14 8.829 18.544 -27.795 1.00 15.22 O ATOM 216 CB ALA A 14 11.181 18.166 -25.821 1.00 75.01 C ATOM 0 H ALA A 14 10.489 15.971 -26.614 1.00 5.52 H new ATOM 0 HA ALA A 14 9.407 17.761 -24.704 1.00 70.23 H new ATOM 0 HB1 ALA A 14 11.251 19.205 -25.497 1.00 75.01 H new ATOM 0 HB2 ALA A 14 11.800 17.543 -25.176 1.00 75.01 H new ATOM 0 HB3 ALA A 14 11.531 18.082 -26.850 1.00 75.01 H new ATOM 222 N ASP A 15 8.179 19.528 -25.888 1.00 70.43 N ATOM 223 CA ASP A 15 7.409 20.587 -26.505 1.00 71.40 C ATOM 224 C ASP A 15 7.818 21.899 -25.940 1.00 73.21 C ATOM 225 O ASP A 15 7.666 22.168 -24.761 1.00 12.04 O ATOM 226 CB ASP A 15 5.879 20.421 -26.487 1.00 1.53 C ATOM 227 CG ASP A 15 5.335 19.319 -27.369 1.00 21.25 C ATOM 228 OD1 ASP A 15 5.205 18.150 -26.951 1.00 33.32 O ATOM 229 OD2 ASP A 15 4.982 19.628 -28.532 1.00 12.11 O ATOM 0 H ASP A 15 8.151 19.549 -24.869 1.00 70.43 H new ATOM 0 HA ASP A 15 7.651 20.531 -27.566 1.00 71.40 H new ATOM 0 HB2 ASP A 15 5.563 20.231 -25.461 1.00 1.53 H new ATOM 0 HB3 ASP A 15 5.425 21.364 -26.791 1.00 1.53 H new ATOM 234 N SER A 16 8.404 22.682 -26.759 1.00 33.21 N ATOM 235 CA SER A 16 9.013 23.875 -26.322 1.00 61.50 C ATOM 236 C SER A 16 8.019 25.061 -26.156 1.00 21.35 C ATOM 237 O SER A 16 8.123 25.839 -25.198 1.00 21.03 O ATOM 238 CB SER A 16 10.154 24.214 -27.244 1.00 50.43 C ATOM 239 OG SER A 16 9.699 24.325 -28.601 1.00 33.00 O ATOM 0 H SER A 16 8.476 22.512 -27.762 1.00 33.21 H new ATOM 0 HA SER A 16 9.399 23.702 -25.317 1.00 61.50 H new ATOM 0 HB2 SER A 16 10.613 25.152 -26.932 1.00 50.43 H new ATOM 0 HB3 SER A 16 10.923 23.445 -27.176 1.00 50.43 H new ATOM 0 HG SER A 16 10.456 24.547 -29.183 1.00 33.00 H new ATOM 245 N GLY A 17 6.991 25.127 -27.012 1.00 21.10 N ATOM 246 CA GLY A 17 6.106 26.283 -27.016 1.00 5.05 C ATOM 247 C GLY A 17 6.718 27.457 -27.784 1.00 74.34 C ATOM 248 O GLY A 17 7.744 27.359 -28.442 1.00 44.05 O ATOM 0 H GLY A 17 6.760 24.406 -27.695 1.00 21.10 H new ATOM 0 HA2 GLY A 17 5.152 26.010 -27.467 1.00 5.05 H new ATOM 0 HA3 GLY A 17 5.899 26.587 -25.990 1.00 5.05 H new ATOM 252 N SER A 18 6.008 28.562 -27.638 1.00 50.13 N ATOM 253 CA SER A 18 6.340 29.737 -28.498 1.00 55.34 C ATOM 254 C SER A 18 7.350 30.636 -27.772 1.00 44.32 C ATOM 255 O SER A 18 7.801 31.682 -28.249 1.00 22.04 O ATOM 256 CB SER A 18 5.065 30.486 -28.865 1.00 60.15 C ATOM 257 OG SER A 18 4.340 30.832 -27.690 1.00 30.00 O ATOM 0 H SER A 18 5.239 28.692 -26.981 1.00 50.13 H new ATOM 0 HA SER A 18 6.801 29.403 -29.427 1.00 55.34 H new ATOM 0 HB2 SER A 18 5.313 31.387 -29.426 1.00 60.15 H new ATOM 0 HB3 SER A 18 4.445 29.867 -29.514 1.00 60.15 H new ATOM 0 HG SER A 18 3.524 31.314 -27.939 1.00 30.00 H new ATOM 263 N GLY A 19 7.699 30.108 -26.663 1.00 24.44 N ATOM 264 CA GLY A 19 8.787 30.672 -25.952 1.00 22.23 C ATOM 265 C GLY A 19 8.419 31.746 -25.006 1.00 75.50 C ATOM 266 O GLY A 19 7.539 32.576 -25.264 1.00 3.41 O ATOM 0 H GLY A 19 7.257 29.297 -26.229 1.00 24.44 H new ATOM 0 HA2 GLY A 19 9.293 29.879 -25.401 1.00 22.23 H new ATOM 0 HA3 GLY A 19 9.505 31.069 -26.670 1.00 22.23 H new ATOM 270 N THR A 20 9.024 31.670 -23.885 1.00 11.41 N ATOM 271 CA THR A 20 8.992 32.640 -22.868 1.00 21.22 C ATOM 272 C THR A 20 10.274 32.551 -22.042 1.00 42.13 C ATOM 273 O THR A 20 11.042 33.509 -21.996 1.00 60.43 O ATOM 274 CB THR A 20 7.666 32.525 -22.074 1.00 54.55 C ATOM 275 OG1 THR A 20 6.464 32.882 -22.720 1.00 51.21 O ATOM 276 CG2 THR A 20 7.477 31.189 -21.339 1.00 75.41 C ATOM 0 H THR A 20 9.599 30.865 -23.637 1.00 11.41 H new ATOM 0 HA THR A 20 8.984 33.652 -23.273 1.00 21.22 H new ATOM 0 HB THR A 20 7.842 33.322 -21.351 1.00 54.55 H new ATOM 0 HG1 THR A 20 6.628 32.990 -23.680 1.00 51.21 H new ATOM 0 HG21 THR A 20 6.524 31.196 -20.810 1.00 75.41 H new ATOM 0 HG22 THR A 20 7.486 30.372 -22.061 1.00 75.41 H new ATOM 0 HG23 THR A 20 8.287 31.049 -20.624 1.00 75.41 H new ATOM 284 N LYS A 21 10.531 31.435 -21.459 1.00 74.23 N ATOM 285 CA LYS A 21 11.799 31.276 -20.790 1.00 71.32 C ATOM 286 C LYS A 21 12.534 30.097 -21.361 1.00 2.44 C ATOM 287 O LYS A 21 12.235 28.970 -21.036 1.00 42.44 O ATOM 288 CB LYS A 21 11.644 31.192 -19.262 1.00 5.33 C ATOM 289 CG LYS A 21 11.134 32.486 -18.655 1.00 72.11 C ATOM 290 CD LYS A 21 12.129 33.605 -18.920 1.00 51.24 C ATOM 291 CE LYS A 21 11.576 34.970 -18.581 1.00 34.14 C ATOM 292 NZ LYS A 21 12.531 36.034 -18.958 1.00 0.20 N ATOM 0 H LYS A 21 9.907 30.629 -21.423 1.00 74.23 H new ATOM 0 HA LYS A 21 12.399 32.168 -20.973 1.00 71.32 H new ATOM 0 HB2 LYS A 21 10.957 30.383 -19.014 1.00 5.33 H new ATOM 0 HB3 LYS A 21 12.606 30.940 -18.816 1.00 5.33 H new ATOM 0 HG2 LYS A 21 10.164 32.741 -19.081 1.00 72.11 H new ATOM 0 HG3 LYS A 21 10.988 32.363 -17.582 1.00 72.11 H new ATOM 0 HD2 LYS A 21 13.032 33.428 -18.336 1.00 51.24 H new ATOM 0 HD3 LYS A 21 12.420 33.586 -19.970 1.00 51.24 H new ATOM 0 HE2 LYS A 21 10.630 35.123 -19.101 1.00 34.14 H new ATOM 0 HE3 LYS A 21 11.365 35.027 -17.513 1.00 34.14 H new ATOM 0 HZ1 LYS A 21 12.130 36.962 -18.716 1.00 0.20 H new ATOM 0 HZ2 LYS A 21 13.424 35.898 -18.443 1.00 0.20 H new ATOM 0 HZ3 LYS A 21 12.712 35.991 -19.981 1.00 0.20 H new ATOM 306 N PRO A 22 13.493 30.369 -22.271 1.00 24.21 N ATOM 307 CA PRO A 22 14.297 29.347 -22.920 1.00 62.31 C ATOM 308 C PRO A 22 15.449 28.922 -22.034 1.00 43.54 C ATOM 309 O PRO A 22 16.350 29.724 -21.729 1.00 64.45 O ATOM 310 CB PRO A 22 14.825 30.049 -24.194 1.00 61.24 C ATOM 311 CG PRO A 22 14.233 31.429 -24.175 1.00 71.24 C ATOM 312 CD PRO A 22 13.862 31.702 -22.752 1.00 10.24 C ATOM 0 HA PRO A 22 13.730 28.441 -23.135 1.00 62.31 H new ATOM 0 HB2 PRO A 22 15.914 30.091 -24.195 1.00 61.24 H new ATOM 0 HB3 PRO A 22 14.526 29.507 -25.091 1.00 61.24 H new ATOM 0 HG2 PRO A 22 14.949 32.165 -24.539 1.00 71.24 H new ATOM 0 HG3 PRO A 22 13.359 31.487 -24.824 1.00 71.24 H new ATOM 0 HD2 PRO A 22 14.694 32.123 -22.187 1.00 10.24 H new ATOM 0 HD3 PRO A 22 13.034 32.407 -22.674 1.00 10.24 H new ATOM 320 N GLU A 23 15.423 27.690 -21.622 1.00 21.52 N ATOM 321 CA GLU A 23 16.401 27.151 -20.721 1.00 54.12 C ATOM 322 C GLU A 23 16.833 25.795 -21.249 1.00 11.42 C ATOM 323 O GLU A 23 16.209 25.261 -22.189 1.00 32.24 O ATOM 324 CB GLU A 23 15.759 26.948 -19.343 1.00 22.44 C ATOM 325 CG GLU A 23 15.121 28.189 -18.739 1.00 2.32 C ATOM 326 CD GLU A 23 14.533 27.915 -17.389 1.00 32.51 C ATOM 327 OE1 GLU A 23 13.401 27.390 -17.301 1.00 1.41 O ATOM 328 OE2 GLU A 23 15.210 28.180 -16.373 1.00 53.35 O ATOM 0 H GLU A 23 14.710 27.019 -21.907 1.00 21.52 H new ATOM 0 HA GLU A 23 17.251 27.828 -20.640 1.00 54.12 H new ATOM 0 HB2 GLU A 23 14.999 26.171 -19.424 1.00 22.44 H new ATOM 0 HB3 GLU A 23 16.520 26.579 -18.656 1.00 22.44 H new ATOM 0 HG2 GLU A 23 15.869 28.978 -18.656 1.00 2.32 H new ATOM 0 HG3 GLU A 23 14.342 28.558 -19.406 1.00 2.32 H new ATOM 335 N GLN A 24 17.856 25.218 -20.643 1.00 73.51 N ATOM 336 CA GLN A 24 18.166 23.841 -20.897 1.00 73.40 C ATOM 337 C GLN A 24 17.363 23.097 -19.923 1.00 44.13 C ATOM 338 O GLN A 24 17.358 23.474 -18.746 1.00 43.24 O ATOM 339 CB GLN A 24 19.630 23.469 -20.749 1.00 3.44 C ATOM 340 CG GLN A 24 20.544 24.190 -21.688 1.00 21.43 C ATOM 341 CD GLN A 24 20.980 25.550 -21.171 1.00 3.22 C ATOM 342 OE1 GLN A 24 21.148 25.669 -19.870 1.00 65.34 O flip ATOM 343 NE2 GLN A 24 21.209 26.480 -21.942 1.00 72.11 N flip ATOM 0 H GLN A 24 18.475 25.684 -19.980 1.00 73.51 H new ATOM 0 HA GLN A 24 17.944 23.611 -21.939 1.00 73.40 H new ATOM 0 HB2 GLN A 24 19.944 23.674 -19.725 1.00 3.44 H new ATOM 0 HB3 GLN A 24 19.738 22.396 -20.907 1.00 3.44 H new ATOM 0 HG2 GLN A 24 21.427 23.577 -21.868 1.00 21.43 H new ATOM 0 HG3 GLN A 24 20.043 24.317 -22.648 1.00 21.43 H new ATOM 0 HE21 GLN A 24 21.069 26.357 -22.945 1.00 72.11 H new ATOM 0 HE22 GLN A 24 21.539 27.374 -21.579 1.00 72.11 H new ATOM 352 N ARG A 25 16.729 22.073 -20.331 1.00 20.32 N ATOM 353 CA ARG A 25 15.996 21.208 -19.428 1.00 74.03 C ATOM 354 C ARG A 25 16.257 19.839 -19.846 1.00 52.33 C ATOM 355 O ARG A 25 16.923 19.663 -20.834 1.00 3.43 O ATOM 356 CB ARG A 25 14.544 21.469 -19.479 1.00 23.24 C ATOM 357 CG ARG A 25 14.171 22.866 -18.978 1.00 35.40 C ATOM 358 CD ARG A 25 14.644 23.063 -17.559 1.00 34.41 C ATOM 359 NE ARG A 25 14.196 24.326 -16.961 1.00 71.33 N ATOM 360 CZ ARG A 25 14.327 24.638 -15.664 1.00 1.43 C ATOM 361 NH1 ARG A 25 15.045 23.861 -14.857 1.00 22.12 N ATOM 362 NH2 ARG A 25 13.831 25.764 -15.214 1.00 5.23 N ATOM 0 H ARG A 25 16.688 21.786 -21.309 1.00 20.32 H new ATOM 0 HA ARG A 25 16.320 21.389 -18.403 1.00 74.03 H new ATOM 0 HB2 ARG A 25 14.195 21.351 -20.505 1.00 23.24 H new ATOM 0 HB3 ARG A 25 14.025 20.723 -18.878 1.00 23.24 H new ATOM 0 HG2 ARG A 25 14.617 23.622 -19.624 1.00 35.40 H new ATOM 0 HG3 ARG A 25 13.091 23.001 -19.029 1.00 35.40 H new ATOM 0 HD2 ARG A 25 14.287 22.234 -16.947 1.00 34.41 H new ATOM 0 HD3 ARG A 25 15.733 23.028 -17.540 1.00 34.41 H new ATOM 0 HE ARG A 25 13.755 25.012 -17.573 1.00 71.33 H new ATOM 0 HH11 ARG A 25 15.498 23.024 -15.225 1.00 22.12 H new ATOM 0 HH12 ARG A 25 15.142 24.102 -13.871 1.00 22.12 H new ATOM 0 HH21 ARG A 25 13.348 26.399 -15.850 1.00 5.23 H new ATOM 0 HH22 ARG A 25 13.928 26.006 -14.228 1.00 5.23 H new ATOM 376 N ILE A 26 15.728 18.857 -19.166 1.00 61.24 N ATOM 377 CA ILE A 26 16.159 17.527 -19.442 1.00 51.41 C ATOM 378 C ILE A 26 14.984 16.512 -19.425 1.00 51.40 C ATOM 379 O ILE A 26 14.132 16.583 -18.549 1.00 13.34 O ATOM 380 CB ILE A 26 17.133 17.093 -18.327 1.00 14.51 C ATOM 381 CG1 ILE A 26 18.266 18.097 -18.128 1.00 10.34 C ATOM 382 CG2 ILE A 26 17.741 15.799 -18.736 1.00 31.44 C ATOM 383 CD1 ILE A 26 18.940 17.964 -16.798 1.00 62.12 C ATOM 0 H ILE A 26 15.019 18.953 -18.439 1.00 61.24 H new ATOM 0 HA ILE A 26 16.616 17.529 -20.432 1.00 51.41 H new ATOM 0 HB ILE A 26 16.574 17.019 -17.394 1.00 14.51 H new ATOM 0 HG12 ILE A 26 19.005 17.964 -18.918 1.00 10.34 H new ATOM 0 HG13 ILE A 26 17.870 19.108 -18.229 1.00 10.34 H new ATOM 0 HG21 ILE A 26 18.437 15.464 -17.966 1.00 31.44 H new ATOM 0 HG22 ILE A 26 16.957 15.053 -18.865 1.00 31.44 H new ATOM 0 HG23 ILE A 26 18.276 15.930 -19.677 1.00 31.44 H new ATOM 0 HD11 ILE A 26 19.736 18.705 -16.718 1.00 62.12 H new ATOM 0 HD12 ILE A 26 18.212 18.126 -16.003 1.00 62.12 H new ATOM 0 HD13 ILE A 26 19.364 16.964 -16.703 1.00 62.12 H new ATOM 395 N TYR A 27 14.924 15.630 -20.413 1.00 70.53 N ATOM 396 CA TYR A 27 13.773 14.734 -20.598 1.00 4.01 C ATOM 397 C TYR A 27 14.357 13.348 -21.014 1.00 43.12 C ATOM 398 O TYR A 27 15.516 13.270 -21.490 1.00 51.23 O ATOM 399 CB TYR A 27 12.848 15.290 -21.730 1.00 23.22 C ATOM 400 CG TYR A 27 13.420 15.241 -23.120 1.00 60.31 C ATOM 401 CD1 TYR A 27 14.249 16.236 -23.608 1.00 2.04 C ATOM 402 CD2 TYR A 27 13.100 14.174 -23.956 1.00 15.32 C ATOM 403 CE1 TYR A 27 14.748 16.143 -24.906 1.00 35.35 C ATOM 404 CE2 TYR A 27 13.583 14.091 -25.228 1.00 4.02 C ATOM 405 CZ TYR A 27 14.410 15.067 -25.699 1.00 73.42 C ATOM 406 OH TYR A 27 14.869 14.995 -26.994 1.00 2.52 O ATOM 0 H TYR A 27 15.661 15.510 -21.108 1.00 70.53 H new ATOM 0 HA TYR A 27 13.178 14.653 -19.688 1.00 4.01 H new ATOM 0 HB2 TYR A 27 11.914 14.727 -21.721 1.00 23.22 H new ATOM 0 HB3 TYR A 27 12.599 16.325 -21.495 1.00 23.22 H new ATOM 0 HD1 TYR A 27 14.508 17.080 -22.986 1.00 2.04 H new ATOM 0 HD2 TYR A 27 12.453 13.392 -23.587 1.00 15.32 H new ATOM 0 HE1 TYR A 27 15.399 16.914 -25.291 1.00 35.35 H new ATOM 0 HE2 TYR A 27 13.312 13.257 -25.859 1.00 4.02 H new ATOM 0 HH TYR A 27 14.539 14.173 -27.413 1.00 2.52 H new ATOM 416 N TYR A 28 13.584 12.254 -20.792 1.00 32.42 N ATOM 417 CA TYR A 28 13.949 10.873 -21.158 1.00 42.10 C ATOM 418 C TYR A 28 13.703 10.630 -22.640 1.00 35.02 C ATOM 419 O TYR A 28 12.637 10.909 -23.172 1.00 54.31 O ATOM 420 CB TYR A 28 13.182 9.820 -20.265 1.00 34.13 C ATOM 421 CG TYR A 28 13.251 8.321 -20.654 1.00 63.02 C ATOM 422 CD1 TYR A 28 14.220 7.469 -20.217 1.00 15.52 C ATOM 423 CD2 TYR A 28 12.234 7.776 -21.402 1.00 73.43 C ATOM 424 CE1 TYR A 28 14.174 6.119 -20.503 1.00 74.40 C ATOM 425 CE2 TYR A 28 12.183 6.441 -21.710 1.00 4.31 C ATOM 426 CZ TYR A 28 13.150 5.617 -21.250 1.00 74.23 C ATOM 427 OH TYR A 28 13.084 4.273 -21.506 1.00 42.11 O ATOM 0 H TYR A 28 12.670 12.316 -20.343 1.00 32.42 H new ATOM 0 HA TYR A 28 15.014 10.742 -20.967 1.00 42.10 H new ATOM 0 HB2 TYR A 28 13.558 9.914 -19.246 1.00 34.13 H new ATOM 0 HB3 TYR A 28 12.131 10.108 -20.244 1.00 34.13 H new ATOM 0 HD1 TYR A 28 15.042 7.858 -19.634 1.00 15.52 H new ATOM 0 HD2 TYR A 28 11.447 8.423 -21.760 1.00 73.43 H new ATOM 0 HE1 TYR A 28 14.948 5.462 -20.135 1.00 74.40 H new ATOM 0 HE2 TYR A 28 11.377 6.052 -22.315 1.00 4.31 H new ATOM 0 HH TYR A 28 12.147 4.004 -21.602 1.00 42.11 H new ATOM 437 N ASN A 29 14.720 10.157 -23.271 1.00 20.53 N ATOM 438 CA ASN A 29 14.561 9.739 -24.651 1.00 31.33 C ATOM 439 C ASN A 29 13.721 8.502 -24.666 1.00 25.31 C ATOM 440 O ASN A 29 13.938 7.569 -23.924 1.00 23.54 O ATOM 441 CB ASN A 29 15.870 9.378 -25.306 1.00 23.21 C ATOM 442 CG ASN A 29 16.819 10.502 -25.487 1.00 63.40 C ATOM 443 OD1 ASN A 29 16.420 11.618 -25.629 1.00 74.41 O ATOM 444 ND2 ASN A 29 18.083 10.195 -25.580 1.00 23.45 N ATOM 0 H ASN A 29 15.656 10.045 -22.881 1.00 20.53 H new ATOM 0 HA ASN A 29 14.115 10.573 -25.194 1.00 31.33 H new ATOM 0 HB2 ASN A 29 16.356 8.607 -24.708 1.00 23.21 H new ATOM 0 HB3 ASN A 29 15.660 8.940 -26.282 1.00 23.21 H new ATOM 0 HD21 ASN A 29 18.771 10.921 -25.781 1.00 23.45 H new ATOM 0 HD22 ASN A 29 18.384 9.229 -25.452 1.00 23.45 H new ATOM 451 N SER A 30 12.902 8.478 -25.695 1.00 4.42 N ATOM 452 CA SER A 30 11.800 7.528 -25.866 1.00 71.15 C ATOM 453 C SER A 30 12.450 6.256 -26.480 1.00 73.42 C ATOM 454 O SER A 30 12.457 5.173 -25.905 1.00 31.22 O ATOM 455 CB SER A 30 10.818 8.141 -26.884 1.00 73.24 C ATOM 456 OG SER A 30 10.413 9.453 -26.485 1.00 61.23 O ATOM 0 H SER A 30 12.979 9.139 -26.468 1.00 4.42 H new ATOM 0 HA SER A 30 11.273 7.303 -24.939 1.00 71.15 H new ATOM 0 HB2 SER A 30 11.289 8.186 -27.866 1.00 73.24 H new ATOM 0 HB3 SER A 30 9.942 7.500 -26.979 1.00 73.24 H new ATOM 0 HG SER A 30 9.611 9.392 -25.925 1.00 61.23 H new ATOM 462 N ALA A 31 12.949 6.487 -27.699 1.00 72.34 N ATOM 463 CA ALA A 31 13.755 5.465 -28.399 1.00 25.01 C ATOM 464 C ALA A 31 14.952 5.024 -27.540 1.00 35.14 C ATOM 465 O ALA A 31 15.106 3.870 -27.150 1.00 63.20 O ATOM 466 CB ALA A 31 14.237 5.970 -29.742 1.00 51.44 C ATOM 0 H ALA A 31 12.816 7.354 -28.219 1.00 72.34 H new ATOM 0 HA ALA A 31 13.111 4.602 -28.568 1.00 25.01 H new ATOM 0 HB1 ALA A 31 14.827 5.195 -30.232 1.00 51.44 H new ATOM 0 HB2 ALA A 31 13.379 6.221 -30.365 1.00 51.44 H new ATOM 0 HB3 ALA A 31 14.853 6.858 -29.597 1.00 51.44 H new ATOM 472 N LYS A 32 15.757 6.035 -27.249 1.00 41.43 N ATOM 473 CA LYS A 32 17.170 5.859 -26.858 1.00 72.24 C ATOM 474 C LYS A 32 17.409 5.572 -25.401 1.00 2.04 C ATOM 475 O LYS A 32 18.489 5.150 -24.998 1.00 31.33 O ATOM 476 CB LYS A 32 17.953 7.115 -27.179 1.00 11.35 C ATOM 477 CG LYS A 32 17.803 7.581 -28.588 1.00 22.34 C ATOM 478 CD LYS A 32 18.790 8.672 -28.913 1.00 1.31 C ATOM 479 CE LYS A 32 18.564 9.232 -30.305 1.00 61.03 C ATOM 480 NZ LYS A 32 19.532 10.295 -30.616 1.00 5.44 N ATOM 0 H LYS A 32 15.458 7.010 -27.274 1.00 41.43 H new ATOM 0 HA LYS A 32 17.494 4.986 -27.425 1.00 72.24 H new ATOM 0 HB2 LYS A 32 17.633 7.912 -26.508 1.00 11.35 H new ATOM 0 HB3 LYS A 32 19.009 6.934 -26.978 1.00 11.35 H new ATOM 0 HG2 LYS A 32 17.949 6.742 -29.268 1.00 22.34 H new ATOM 0 HG3 LYS A 32 16.788 7.947 -28.746 1.00 22.34 H new ATOM 0 HD2 LYS A 32 18.703 9.473 -28.179 1.00 1.31 H new ATOM 0 HD3 LYS A 32 19.804 8.280 -28.838 1.00 1.31 H new ATOM 0 HE2 LYS A 32 18.651 8.432 -31.040 1.00 61.03 H new ATOM 0 HE3 LYS A 32 17.551 9.626 -30.381 1.00 61.03 H new ATOM 0 HZ1 LYS A 32 19.353 10.658 -31.574 1.00 5.44 H new ATOM 0 HZ2 LYS A 32 19.431 11.068 -29.928 1.00 5.44 H new ATOM 0 HZ3 LYS A 32 20.497 9.911 -30.567 1.00 5.44 H new ATOM 494 N LYS A 33 16.351 5.818 -24.651 1.00 72.41 N ATOM 495 CA LYS A 33 16.288 5.501 -23.228 1.00 21.24 C ATOM 496 C LYS A 33 17.401 6.186 -22.429 1.00 54.44 C ATOM 497 O LYS A 33 18.042 5.586 -21.593 1.00 74.34 O ATOM 498 CB LYS A 33 16.308 3.991 -23.034 1.00 60.12 C ATOM 499 CG LYS A 33 15.128 3.365 -23.704 1.00 23.10 C ATOM 500 CD LYS A 33 14.814 2.022 -23.172 1.00 64.31 C ATOM 501 CE LYS A 33 13.373 1.771 -23.452 1.00 54.33 C ATOM 502 NZ LYS A 33 12.899 0.511 -22.861 1.00 71.22 N ATOM 0 H LYS A 33 15.500 6.248 -25.012 1.00 72.41 H new ATOM 0 HA LYS A 33 15.349 5.893 -22.837 1.00 21.24 H new ATOM 0 HB2 LYS A 33 17.229 3.577 -23.444 1.00 60.12 H new ATOM 0 HB3 LYS A 33 16.298 3.754 -21.970 1.00 60.12 H new ATOM 0 HG2 LYS A 33 14.260 4.012 -23.580 1.00 23.10 H new ATOM 0 HG3 LYS A 33 15.320 3.291 -24.774 1.00 23.10 H new ATOM 0 HD2 LYS A 33 15.437 1.264 -23.646 1.00 64.31 H new ATOM 0 HD3 LYS A 33 15.013 1.975 -22.101 1.00 64.31 H new ATOM 0 HE2 LYS A 33 12.780 2.598 -23.061 1.00 54.33 H new ATOM 0 HE3 LYS A 33 13.214 1.746 -24.530 1.00 54.33 H new ATOM 0 HZ1 LYS A 33 11.891 0.381 -23.083 1.00 71.22 H new ATOM 0 HZ2 LYS A 33 13.445 -0.283 -23.252 1.00 71.22 H new ATOM 0 HZ3 LYS A 33 13.025 0.543 -21.829 1.00 71.22 H new ATOM 516 N GLN A 34 17.596 7.453 -22.714 1.00 55.13 N ATOM 517 CA GLN A 34 18.656 8.274 -22.101 1.00 0.13 C ATOM 518 C GLN A 34 17.960 9.480 -21.473 1.00 74.11 C ATOM 519 O GLN A 34 16.746 9.580 -21.547 1.00 54.03 O ATOM 520 CB GLN A 34 19.672 8.734 -23.165 1.00 41.11 C ATOM 521 CG GLN A 34 20.289 7.605 -23.993 1.00 52.43 C ATOM 522 CD GLN A 34 21.062 6.564 -23.184 1.00 62.22 C ATOM 523 OE1 GLN A 34 21.668 6.862 -22.153 1.00 53.44 O ATOM 524 NE2 GLN A 34 21.014 5.339 -23.638 1.00 33.13 N ATOM 0 H GLN A 34 17.023 7.965 -23.385 1.00 55.13 H new ATOM 0 HA GLN A 34 19.209 7.704 -21.355 1.00 0.13 H new ATOM 0 HB2 GLN A 34 19.178 9.433 -23.840 1.00 41.11 H new ATOM 0 HB3 GLN A 34 20.473 9.282 -22.669 1.00 41.11 H new ATOM 0 HG2 GLN A 34 19.494 7.100 -24.542 1.00 52.43 H new ATOM 0 HG3 GLN A 34 20.960 8.041 -24.733 1.00 52.43 H new ATOM 0 HE21 GLN A 34 20.502 5.133 -24.496 1.00 33.13 H new ATOM 0 HE22 GLN A 34 21.489 4.590 -23.135 1.00 33.13 H new ATOM 533 N CYS A 35 18.742 10.449 -21.030 1.00 31.43 N ATOM 534 CA CYS A 35 18.321 11.652 -20.262 1.00 52.05 C ATOM 535 C CYS A 35 19.050 12.692 -20.974 1.00 23.54 C ATOM 536 O CYS A 35 20.273 12.734 -20.838 1.00 31.34 O ATOM 537 CB CYS A 35 18.865 11.594 -18.763 1.00 25.52 C ATOM 538 SG CYS A 35 18.569 13.097 -17.685 1.00 51.52 S ATOM 0 H CYS A 35 19.748 10.435 -21.196 1.00 31.43 H new ATOM 0 HA CYS A 35 17.240 11.777 -20.199 1.00 52.05 H new ATOM 0 HB2 CYS A 35 18.412 10.732 -18.273 1.00 25.52 H new ATOM 0 HB3 CYS A 35 19.939 11.412 -18.800 1.00 25.52 H new ATOM 543 N VAL A 36 18.457 13.500 -21.814 1.00 41.15 N ATOM 544 CA VAL A 36 19.117 14.434 -22.628 1.00 5.33 C ATOM 545 C VAL A 36 18.380 15.744 -22.437 1.00 20.12 C ATOM 546 O VAL A 36 17.249 15.768 -21.936 1.00 35.52 O ATOM 547 CB VAL A 36 19.041 14.060 -24.147 1.00 61.30 C ATOM 548 CG1 VAL A 36 19.549 12.673 -24.414 1.00 12.33 C ATOM 549 CG2 VAL A 36 17.633 14.176 -24.688 1.00 23.43 C ATOM 0 H VAL A 36 17.445 13.509 -21.940 1.00 41.15 H new ATOM 0 HA VAL A 36 20.170 14.475 -22.351 1.00 5.33 H new ATOM 0 HB VAL A 36 19.682 14.777 -24.659 1.00 61.30 H new ATOM 0 HG11 VAL A 36 19.477 12.458 -25.480 1.00 12.33 H new ATOM 0 HG12 VAL A 36 20.590 12.600 -24.099 1.00 12.33 H new ATOM 0 HG13 VAL A 36 18.950 11.953 -23.857 1.00 12.33 H new ATOM 0 HG21 VAL A 36 17.626 13.908 -25.744 1.00 23.43 H new ATOM 0 HG22 VAL A 36 16.975 13.503 -24.138 1.00 23.43 H new ATOM 0 HG23 VAL A 36 17.282 15.201 -24.572 1.00 23.43 H new ATOM 559 N THR A 37 19.015 16.800 -22.796 1.00 53.02 N ATOM 560 CA THR A 37 18.446 18.092 -22.673 1.00 71.52 C ATOM 561 C THR A 37 17.546 18.522 -23.839 1.00 34.02 C ATOM 562 O THR A 37 17.672 18.041 -24.973 1.00 72.23 O ATOM 563 CB THR A 37 19.557 19.126 -22.404 1.00 32.55 C ATOM 564 OG1 THR A 37 20.590 19.018 -23.410 1.00 15.22 O ATOM 565 CG2 THR A 37 20.149 18.912 -21.038 1.00 14.32 C ATOM 0 H THR A 37 19.956 16.791 -23.188 1.00 53.02 H new ATOM 0 HA THR A 37 17.767 18.042 -21.822 1.00 71.52 H new ATOM 0 HB THR A 37 19.122 20.124 -22.447 1.00 32.55 H new ATOM 0 HG1 THR A 37 21.291 19.680 -23.232 1.00 15.22 H new ATOM 0 HG21 THR A 37 20.932 19.649 -20.861 1.00 14.32 H new ATOM 0 HG22 THR A 37 19.371 19.022 -20.283 1.00 14.32 H new ATOM 0 HG23 THR A 37 20.574 17.910 -20.978 1.00 14.32 H new ATOM 573 N PHE A 38 16.639 19.438 -23.537 1.00 5.32 N ATOM 574 CA PHE A 38 15.781 19.961 -24.519 1.00 54.22 C ATOM 575 C PHE A 38 15.651 21.415 -24.303 1.00 34.25 C ATOM 576 O PHE A 38 15.962 21.947 -23.214 1.00 32.24 O ATOM 577 CB PHE A 38 14.386 19.382 -24.524 1.00 74.43 C ATOM 578 CG PHE A 38 13.456 19.679 -23.405 1.00 52.15 C ATOM 579 CD1 PHE A 38 13.529 19.086 -22.169 1.00 33.01 C ATOM 580 CD2 PHE A 38 12.442 20.566 -23.664 1.00 55.30 C ATOM 581 CE1 PHE A 38 12.590 19.393 -21.209 1.00 20.31 C ATOM 582 CE2 PHE A 38 11.516 20.888 -22.744 1.00 71.54 C ATOM 583 CZ PHE A 38 11.579 20.302 -21.497 1.00 65.41 C ATOM 0 H PHE A 38 16.499 19.820 -22.602 1.00 5.32 H new ATOM 0 HA PHE A 38 16.236 19.700 -25.475 1.00 54.22 H new ATOM 0 HB2 PHE A 38 13.902 19.710 -25.444 1.00 74.43 H new ATOM 0 HB3 PHE A 38 14.485 18.298 -24.585 1.00 74.43 H new ATOM 0 HD1 PHE A 38 14.319 18.382 -21.950 1.00 33.01 H new ATOM 0 HD2 PHE A 38 12.386 21.022 -24.642 1.00 55.30 H new ATOM 0 HE1 PHE A 38 12.639 18.929 -20.235 1.00 20.31 H new ATOM 0 HE2 PHE A 38 10.734 21.595 -22.978 1.00 71.54 H new ATOM 0 HZ PHE A 38 10.844 20.549 -20.746 1.00 65.41 H new ATOM 593 N THR A 39 15.213 22.036 -25.315 1.00 21.12 N ATOM 594 CA THR A 39 14.963 23.429 -25.353 1.00 30.31 C ATOM 595 C THR A 39 13.603 23.679 -24.700 1.00 14.43 C ATOM 596 O THR A 39 12.552 23.447 -25.304 1.00 52.24 O ATOM 597 CB THR A 39 14.843 23.839 -26.814 1.00 44.33 C ATOM 598 OG1 THR A 39 16.020 23.404 -27.537 1.00 3.24 O ATOM 599 CG2 THR A 39 14.691 25.348 -26.958 1.00 10.40 C ATOM 0 H THR A 39 15.003 21.568 -26.197 1.00 21.12 H new ATOM 0 HA THR A 39 15.755 23.981 -24.847 1.00 30.31 H new ATOM 0 HB THR A 39 13.952 23.365 -27.226 1.00 44.33 H new ATOM 0 HG1 THR A 39 15.942 23.667 -28.478 1.00 3.24 H new ATOM 0 HG21 THR A 39 14.608 25.606 -28.014 1.00 10.40 H new ATOM 0 HG22 THR A 39 13.794 25.675 -26.433 1.00 10.40 H new ATOM 0 HG23 THR A 39 15.563 25.844 -26.531 1.00 10.40 H new ATOM 607 N TYR A 40 13.625 24.129 -23.488 1.00 1.40 N ATOM 608 CA TYR A 40 12.374 24.372 -22.843 1.00 53.14 C ATOM 609 C TYR A 40 12.036 25.814 -22.911 1.00 61.11 C ATOM 610 O TYR A 40 12.759 26.623 -22.361 1.00 21.34 O ATOM 611 CB TYR A 40 12.394 23.868 -21.394 1.00 3.03 C ATOM 612 CG TYR A 40 11.113 24.063 -20.538 1.00 32.25 C ATOM 613 CD1 TYR A 40 10.932 25.227 -19.795 1.00 44.02 C ATOM 614 CD2 TYR A 40 10.103 23.065 -20.440 1.00 34.01 C ATOM 615 CE1 TYR A 40 9.814 25.410 -19.000 1.00 30.32 C ATOM 616 CE2 TYR A 40 8.990 23.260 -19.648 1.00 51.15 C ATOM 617 CZ TYR A 40 8.847 24.426 -18.934 1.00 75.04 C ATOM 618 OH TYR A 40 7.727 24.605 -18.139 1.00 70.11 O ATOM 0 H TYR A 40 14.461 24.330 -22.940 1.00 1.40 H new ATOM 0 HA TYR A 40 11.598 23.815 -23.368 1.00 53.14 H new ATOM 0 HB2 TYR A 40 12.624 22.803 -21.414 1.00 3.03 H new ATOM 0 HB3 TYR A 40 13.218 24.362 -20.880 1.00 3.03 H new ATOM 0 HD1 TYR A 40 11.681 26.004 -19.840 1.00 44.02 H new ATOM 0 HD2 TYR A 40 10.209 22.143 -20.993 1.00 34.01 H new ATOM 0 HE1 TYR A 40 9.698 26.321 -18.432 1.00 30.32 H new ATOM 0 HE2 TYR A 40 8.230 22.495 -19.589 1.00 51.15 H new ATOM 0 HH TYR A 40 7.147 23.818 -18.208 1.00 70.11 H new ATOM 628 N ASN A 41 11.039 26.161 -23.688 1.00 62.43 N ATOM 629 CA ASN A 41 10.677 27.543 -23.825 1.00 64.22 C ATOM 630 C ASN A 41 9.627 27.864 -22.819 1.00 31.55 C ATOM 631 O ASN A 41 9.465 29.015 -22.435 1.00 50.22 O ATOM 632 CB ASN A 41 10.206 27.897 -25.224 1.00 62.31 C ATOM 633 CG ASN A 41 11.243 27.784 -26.326 1.00 74.11 C ATOM 634 OD1 ASN A 41 10.899 27.483 -27.448 1.00 32.32 O ATOM 635 ND2 ASN A 41 12.491 28.043 -26.036 1.00 23.20 N ATOM 0 H ASN A 41 10.471 25.509 -24.229 1.00 62.43 H new ATOM 0 HA ASN A 41 11.569 28.144 -23.649 1.00 64.22 H new ATOM 0 HB2 ASN A 41 9.365 27.251 -25.477 1.00 62.31 H new ATOM 0 HB3 ASN A 41 9.830 28.920 -25.211 1.00 62.31 H new ATOM 0 HD21 ASN A 41 13.204 27.994 -26.763 1.00 23.20 H new ATOM 0 HD22 ASN A 41 12.751 28.294 -25.082 1.00 23.20 H new ATOM 642 N GLY A 42 8.848 26.858 -22.448 1.00 24.12 N ATOM 643 CA GLY A 42 8.040 27.016 -21.294 1.00 53.42 C ATOM 644 C GLY A 42 6.569 27.249 -21.470 1.00 43.51 C ATOM 645 O GLY A 42 5.935 27.667 -20.501 1.00 52.53 O ATOM 0 H GLY A 42 8.772 25.959 -22.925 1.00 24.12 H new ATOM 0 HA2 GLY A 42 8.162 26.123 -20.681 1.00 53.42 H new ATOM 0 HA3 GLY A 42 8.441 27.853 -20.722 1.00 53.42 H new ATOM 649 N LYS A 43 5.949 27.025 -22.622 1.00 25.31 N ATOM 650 CA LYS A 43 4.542 27.328 -22.787 1.00 2.12 C ATOM 651 C LYS A 43 3.796 26.119 -23.393 1.00 51.23 C ATOM 652 O LYS A 43 3.835 24.999 -22.874 1.00 72.41 O ATOM 653 CB LYS A 43 4.414 28.514 -23.802 1.00 41.33 C ATOM 654 CG LYS A 43 5.212 29.756 -23.526 1.00 63.10 C ATOM 655 CD LYS A 43 4.740 30.912 -24.401 1.00 40.53 C ATOM 656 CE LYS A 43 3.326 31.344 -24.054 1.00 2.45 C ATOM 657 NZ LYS A 43 2.872 32.478 -24.884 1.00 44.00 N ATOM 0 H LYS A 43 6.400 26.636 -23.450 1.00 25.31 H new ATOM 0 HA LYS A 43 4.115 27.574 -21.815 1.00 2.12 H new ATOM 0 HB2 LYS A 43 4.698 28.145 -24.787 1.00 41.33 H new ATOM 0 HB3 LYS A 43 3.363 28.796 -23.858 1.00 41.33 H new ATOM 0 HG2 LYS A 43 5.117 30.028 -22.475 1.00 63.10 H new ATOM 0 HG3 LYS A 43 6.269 29.563 -23.711 1.00 63.10 H new ATOM 0 HD2 LYS A 43 5.417 31.758 -24.282 1.00 40.53 H new ATOM 0 HD3 LYS A 43 4.782 30.615 -25.449 1.00 40.53 H new ATOM 0 HE2 LYS A 43 2.647 30.502 -24.189 1.00 2.45 H new ATOM 0 HE3 LYS A 43 3.281 31.625 -23.002 1.00 2.45 H new ATOM 0 HZ1 LYS A 43 1.903 32.740 -24.614 1.00 44.00 H new ATOM 0 HZ2 LYS A 43 3.504 33.291 -24.737 1.00 44.00 H new ATOM 0 HZ3 LYS A 43 2.889 32.203 -25.887 1.00 44.00 H new ATOM 671 N GLY A 44 3.078 26.489 -24.435 1.00 51.44 N ATOM 672 CA GLY A 44 2.388 25.572 -25.333 1.00 40.40 C ATOM 673 C GLY A 44 2.843 24.134 -25.433 1.00 42.12 C ATOM 674 O GLY A 44 4.004 23.829 -25.761 1.00 63.41 O ATOM 0 H GLY A 44 2.952 27.468 -24.692 1.00 51.44 H new ATOM 0 HA2 GLY A 44 1.338 25.561 -25.042 1.00 40.40 H new ATOM 0 HA3 GLY A 44 2.437 25.999 -26.335 1.00 40.40 H new ATOM 678 N GLY A 45 1.876 23.276 -25.203 1.00 44.34 N ATOM 679 CA GLY A 45 2.053 21.880 -25.418 1.00 10.30 C ATOM 680 C GLY A 45 2.660 21.141 -24.246 1.00 42.24 C ATOM 681 O GLY A 45 2.524 21.547 -23.081 1.00 73.15 O ATOM 0 H GLY A 45 0.951 23.537 -24.862 1.00 44.34 H new ATOM 0 HA2 GLY A 45 1.086 21.435 -25.651 1.00 10.30 H new ATOM 0 HA3 GLY A 45 2.689 21.737 -26.292 1.00 10.30 H new ATOM 685 N ASN A 46 3.303 20.020 -24.589 1.00 33.15 N ATOM 686 CA ASN A 46 3.891 19.222 -23.496 1.00 41.10 C ATOM 687 C ASN A 46 5.003 19.851 -22.718 1.00 24.30 C ATOM 688 O ASN A 46 5.862 20.560 -23.192 1.00 40.42 O ATOM 689 CB ASN A 46 4.365 17.816 -23.918 1.00 55.44 C ATOM 690 CG ASN A 46 3.279 16.902 -24.424 1.00 53.23 C ATOM 691 OD1 ASN A 46 2.558 16.277 -23.644 1.00 54.41 O ATOM 692 ND2 ASN A 46 3.209 16.747 -25.707 1.00 23.35 N ATOM 0 H ASN A 46 3.428 19.660 -25.535 1.00 33.15 H new ATOM 0 HA ASN A 46 3.024 19.156 -22.839 1.00 41.10 H new ATOM 0 HB2 ASN A 46 5.121 17.922 -24.696 1.00 55.44 H new ATOM 0 HB3 ASN A 46 4.850 17.341 -23.065 1.00 55.44 H new ATOM 0 HD21 ASN A 46 2.539 16.089 -26.105 1.00 23.35 H new ATOM 0 HD22 ASN A 46 3.823 17.283 -26.320 1.00 23.35 H new ATOM 699 N GLY A 47 4.906 19.490 -21.485 1.00 55.52 N ATOM 700 CA GLY A 47 5.830 19.940 -20.514 1.00 33.23 C ATOM 701 C GLY A 47 6.594 18.834 -19.913 1.00 10.10 C ATOM 702 O GLY A 47 6.770 18.797 -18.688 1.00 71.53 O ATOM 0 H GLY A 47 4.179 18.872 -21.125 1.00 55.52 H new ATOM 0 HA2 GLY A 47 6.520 20.648 -20.973 1.00 33.23 H new ATOM 0 HA3 GLY A 47 5.297 20.478 -19.730 1.00 33.23 H new ATOM 706 N ASN A 48 6.983 17.871 -20.730 1.00 72.01 N ATOM 707 CA ASN A 48 7.878 16.842 -20.247 1.00 71.31 C ATOM 708 C ASN A 48 9.202 17.491 -20.022 1.00 42.24 C ATOM 709 O ASN A 48 9.969 17.709 -20.951 1.00 41.25 O ATOM 710 CB ASN A 48 8.038 15.664 -21.194 1.00 43.15 C ATOM 711 CG ASN A 48 8.960 14.618 -20.577 1.00 32.32 C ATOM 712 OD1 ASN A 48 9.040 14.501 -19.356 1.00 41.41 O ATOM 713 ND2 ASN A 48 9.639 13.853 -21.386 1.00 63.33 N ATOM 0 H ASN A 48 6.701 17.782 -21.706 1.00 72.01 H new ATOM 0 HA ASN A 48 7.454 16.422 -19.335 1.00 71.31 H new ATOM 0 HB2 ASN A 48 7.064 15.222 -21.405 1.00 43.15 H new ATOM 0 HB3 ASN A 48 8.447 16.005 -22.145 1.00 43.15 H new ATOM 0 HD21 ASN A 48 10.257 13.134 -21.010 1.00 63.33 H new ATOM 0 HD22 ASN A 48 9.552 13.974 -22.395 1.00 63.33 H new ATOM 720 N ASN A 49 9.441 17.806 -18.802 1.00 2.30 N ATOM 721 CA ASN A 49 10.508 18.591 -18.350 1.00 73.44 C ATOM 722 C ASN A 49 10.951 18.079 -17.021 1.00 23.04 C ATOM 723 O ASN A 49 10.157 18.051 -16.073 1.00 52.14 O ATOM 724 CB ASN A 49 9.959 20.016 -18.162 1.00 43.33 C ATOM 725 CG ASN A 49 10.927 20.992 -17.528 1.00 70.42 C ATOM 726 OD1 ASN A 49 11.707 21.581 -18.192 1.00 5.13 O ATOM 727 ND2 ASN A 49 10.809 21.212 -16.238 1.00 4.02 N ATOM 0 H ASN A 49 8.841 17.491 -18.040 1.00 2.30 H new ATOM 0 HA ASN A 49 11.343 18.569 -19.051 1.00 73.44 H new ATOM 0 HB2 ASN A 49 9.658 20.405 -19.135 1.00 43.33 H new ATOM 0 HB3 ASN A 49 9.061 19.966 -17.547 1.00 43.33 H new ATOM 0 HD21 ASN A 49 11.400 21.908 -15.783 1.00 4.02 H new ATOM 0 HD22 ASN A 49 10.126 20.687 -15.692 1.00 4.02 H new ATOM 734 N PHE A 50 12.164 17.644 -16.915 1.00 45.22 N ATOM 735 CA PHE A 50 12.710 17.352 -15.633 1.00 51.21 C ATOM 736 C PHE A 50 13.798 18.372 -15.436 1.00 1.31 C ATOM 737 O PHE A 50 14.547 18.667 -16.374 1.00 5.34 O ATOM 738 CB PHE A 50 13.178 15.854 -15.490 1.00 74.21 C ATOM 739 CG PHE A 50 12.050 14.883 -15.690 1.00 51.34 C ATOM 740 CD1 PHE A 50 11.114 14.672 -14.693 1.00 30.04 C ATOM 741 CD2 PHE A 50 11.918 14.197 -16.883 1.00 10.21 C ATOM 742 CE1 PHE A 50 10.065 13.797 -14.884 1.00 61.14 C ATOM 743 CE2 PHE A 50 10.875 13.318 -17.080 1.00 41.25 C ATOM 744 CZ PHE A 50 9.945 13.119 -16.079 1.00 73.33 C ATOM 0 H PHE A 50 12.794 17.484 -17.701 1.00 45.22 H new ATOM 0 HA PHE A 50 11.966 17.431 -14.840 1.00 51.21 H new ATOM 0 HB2 PHE A 50 13.963 15.650 -16.218 1.00 74.21 H new ATOM 0 HB3 PHE A 50 13.613 15.704 -14.502 1.00 74.21 H new ATOM 0 HD1 PHE A 50 11.206 15.198 -13.754 1.00 30.04 H new ATOM 0 HD2 PHE A 50 12.641 14.352 -17.670 1.00 10.21 H new ATOM 0 HE1 PHE A 50 9.339 13.643 -14.099 1.00 61.14 H new ATOM 0 HE2 PHE A 50 10.785 12.786 -18.016 1.00 41.25 H new ATOM 0 HZ PHE A 50 9.125 12.433 -16.232 1.00 73.33 H new ATOM 754 N SER A 51 13.887 18.950 -14.276 1.00 31.12 N ATOM 755 CA SER A 51 14.751 20.069 -14.026 1.00 52.05 C ATOM 756 C SER A 51 15.869 19.716 -13.087 1.00 44.45 C ATOM 757 O SER A 51 16.677 20.567 -12.714 1.00 63.50 O ATOM 758 CB SER A 51 13.910 21.212 -13.454 1.00 53.33 C ATOM 759 OG SER A 51 13.196 20.809 -12.270 1.00 40.35 O ATOM 0 H SER A 51 13.352 18.653 -13.460 1.00 31.12 H new ATOM 0 HA SER A 51 15.214 20.373 -14.965 1.00 52.05 H new ATOM 0 HB2 SER A 51 14.557 22.057 -13.218 1.00 53.33 H new ATOM 0 HB3 SER A 51 13.201 21.554 -14.208 1.00 53.33 H new ATOM 0 HG SER A 51 12.671 21.564 -11.931 1.00 40.35 H new ATOM 765 N ARG A 52 15.914 18.498 -12.683 1.00 32.45 N ATOM 766 CA ARG A 52 16.958 18.037 -11.848 1.00 20.53 C ATOM 767 C ARG A 52 17.546 16.859 -12.528 1.00 32.43 C ATOM 768 O ARG A 52 16.812 15.998 -13.051 1.00 71.53 O ATOM 769 CB ARG A 52 16.439 17.606 -10.492 1.00 43.42 C ATOM 770 CG ARG A 52 15.850 18.690 -9.625 1.00 74.44 C ATOM 771 CD ARG A 52 15.517 18.102 -8.278 1.00 33.30 C ATOM 772 NE ARG A 52 14.743 18.990 -7.431 1.00 2.42 N ATOM 773 CZ ARG A 52 13.716 18.570 -6.682 1.00 22.05 C ATOM 774 NH1 ARG A 52 13.278 17.311 -6.795 1.00 73.14 N ATOM 775 NH2 ARG A 52 13.104 19.401 -5.856 1.00 41.35 N ATOM 0 H ARG A 52 15.221 17.789 -12.925 1.00 32.45 H new ATOM 0 HA ARG A 52 17.682 18.835 -11.685 1.00 20.53 H new ATOM 0 HB2 ARG A 52 15.679 16.840 -10.645 1.00 43.42 H new ATOM 0 HB3 ARG A 52 17.258 17.138 -9.945 1.00 43.42 H new ATOM 0 HG2 ARG A 52 16.557 19.512 -9.514 1.00 74.44 H new ATOM 0 HG3 ARG A 52 14.954 19.101 -10.090 1.00 74.44 H new ATOM 0 HD2 ARG A 52 14.961 17.176 -8.423 1.00 33.30 H new ATOM 0 HD3 ARG A 52 16.443 17.841 -7.766 1.00 33.30 H new ATOM 0 HE ARG A 52 14.993 19.979 -7.405 1.00 2.42 H new ATOM 0 HH11 ARG A 52 13.727 16.672 -7.451 1.00 73.14 H new ATOM 0 HH12 ARG A 52 12.496 16.990 -6.225 1.00 73.14 H new ATOM 0 HH21 ARG A 52 13.413 20.370 -5.786 1.00 41.35 H new ATOM 0 HH22 ARG A 52 12.322 19.073 -5.289 1.00 41.35 H new ATOM 789 N THR A 53 18.845 16.825 -12.532 1.00 73.35 N ATOM 790 CA THR A 53 19.610 15.766 -13.123 1.00 30.25 C ATOM 791 C THR A 53 19.307 14.450 -12.390 1.00 44.14 C ATOM 792 O THR A 53 19.328 13.385 -12.977 1.00 74.54 O ATOM 793 CB THR A 53 21.116 16.110 -13.043 1.00 50.45 C ATOM 794 OG1 THR A 53 21.328 17.409 -13.639 1.00 2.42 O ATOM 795 CG2 THR A 53 21.953 15.089 -13.799 1.00 34.54 C ATOM 0 H THR A 53 19.420 17.555 -12.112 1.00 73.35 H new ATOM 0 HA THR A 53 19.339 15.649 -14.172 1.00 30.25 H new ATOM 0 HB THR A 53 21.418 16.104 -11.996 1.00 50.45 H new ATOM 0 HG1 THR A 53 22.280 17.639 -13.593 1.00 2.42 H new ATOM 0 HG21 THR A 53 23.007 15.356 -13.725 1.00 34.54 H new ATOM 0 HG22 THR A 53 21.798 14.100 -13.367 1.00 34.54 H new ATOM 0 HG23 THR A 53 21.654 15.078 -14.847 1.00 34.54 H new ATOM 803 N ASN A 54 18.991 14.550 -11.102 1.00 24.31 N ATOM 804 CA ASN A 54 18.583 13.386 -10.327 1.00 73.30 C ATOM 805 C ASN A 54 17.143 13.020 -10.611 1.00 2.42 C ATOM 806 O ASN A 54 16.786 11.848 -10.565 1.00 64.53 O ATOM 807 CB ASN A 54 18.765 13.571 -8.813 1.00 63.41 C ATOM 808 CG ASN A 54 20.208 13.701 -8.350 1.00 20.32 C ATOM 809 OD1 ASN A 54 21.077 14.207 -9.059 1.00 43.23 O ATOM 810 ND2 ASN A 54 20.480 13.227 -7.168 1.00 73.12 N ATOM 0 H ASN A 54 19.010 15.423 -10.575 1.00 24.31 H new ATOM 0 HA ASN A 54 19.243 12.578 -10.644 1.00 73.30 H new ATOM 0 HB2 ASN A 54 18.218 14.461 -8.503 1.00 63.41 H new ATOM 0 HB3 ASN A 54 18.310 12.723 -8.301 1.00 63.41 H new ATOM 0 HD21 ASN A 54 21.434 13.270 -6.808 1.00 73.12 H new ATOM 0 HD22 ASN A 54 19.739 12.813 -6.602 1.00 73.12 H new ATOM 817 N ASP A 55 16.327 14.000 -11.015 1.00 54.34 N ATOM 818 CA ASP A 55 14.893 13.727 -11.201 1.00 74.33 C ATOM 819 C ASP A 55 14.595 12.942 -12.411 1.00 21.44 C ATOM 820 O ASP A 55 13.673 12.141 -12.392 1.00 23.44 O ATOM 821 CB ASP A 55 13.953 14.944 -11.158 1.00 53.31 C ATOM 822 CG ASP A 55 13.796 15.620 -9.824 1.00 62.43 C ATOM 823 OD1 ASP A 55 14.391 15.197 -8.834 1.00 31.33 O ATOM 824 OD2 ASP A 55 12.999 16.587 -9.745 1.00 72.34 O ATOM 0 H ASP A 55 16.618 14.957 -11.214 1.00 54.34 H new ATOM 0 HA ASP A 55 14.678 13.135 -10.311 1.00 74.33 H new ATOM 0 HB2 ASP A 55 14.316 15.681 -11.874 1.00 53.31 H new ATOM 0 HB3 ASP A 55 12.967 14.627 -11.498 1.00 53.31 H new ATOM 829 N CYS A 56 15.309 13.184 -13.494 1.00 24.10 N ATOM 830 CA CYS A 56 15.098 12.384 -14.669 1.00 43.34 C ATOM 831 C CYS A 56 15.476 10.956 -14.313 1.00 52.42 C ATOM 832 O CYS A 56 14.769 10.021 -14.647 1.00 3.22 O ATOM 833 CB CYS A 56 15.983 12.838 -15.909 1.00 4.30 C ATOM 834 SG CYS A 56 17.830 12.613 -15.798 1.00 33.34 S ATOM 0 H CYS A 56 16.021 13.910 -13.578 1.00 24.10 H new ATOM 0 HA CYS A 56 14.055 12.491 -14.967 1.00 43.34 H new ATOM 0 HB2 CYS A 56 15.633 12.293 -16.786 1.00 4.30 H new ATOM 0 HB3 CYS A 56 15.786 13.895 -16.090 1.00 4.30 H new ATOM 839 N ARG A 57 16.557 10.800 -13.596 1.00 13.30 N ATOM 840 CA ARG A 57 17.031 9.485 -13.200 1.00 52.23 C ATOM 841 C ARG A 57 15.986 8.755 -12.339 1.00 54.23 C ATOM 842 O ARG A 57 15.773 7.547 -12.507 1.00 11.35 O ATOM 843 CB ARG A 57 18.356 9.610 -12.486 1.00 4.50 C ATOM 844 CG ARG A 57 19.376 10.334 -13.304 1.00 25.43 C ATOM 845 CD ARG A 57 20.712 10.255 -12.641 1.00 75.13 C ATOM 846 NE ARG A 57 21.252 8.890 -12.623 1.00 32.31 N ATOM 847 CZ ARG A 57 22.243 8.477 -11.813 1.00 74.32 C ATOM 848 NH1 ARG A 57 22.763 9.304 -10.894 1.00 42.34 N ATOM 849 NH2 ARG A 57 22.703 7.240 -11.920 1.00 1.53 N ATOM 0 H ARG A 57 17.137 11.572 -13.267 1.00 13.30 H new ATOM 0 HA ARG A 57 17.182 8.881 -14.095 1.00 52.23 H new ATOM 0 HB2 ARG A 57 18.210 10.137 -11.543 1.00 4.50 H new ATOM 0 HB3 ARG A 57 18.729 8.616 -12.241 1.00 4.50 H new ATOM 0 HG2 ARG A 57 19.430 9.899 -14.302 1.00 25.43 H new ATOM 0 HG3 ARG A 57 19.083 11.377 -13.426 1.00 25.43 H new ATOM 0 HD2 ARG A 57 21.411 10.912 -13.160 1.00 75.13 H new ATOM 0 HD3 ARG A 57 20.629 10.623 -11.618 1.00 75.13 H new ATOM 0 HE ARG A 57 20.849 8.210 -13.267 1.00 32.31 H new ATOM 0 HH11 ARG A 57 22.407 10.256 -10.805 1.00 42.34 H new ATOM 0 HH12 ARG A 57 23.514 8.981 -10.284 1.00 42.34 H new ATOM 0 HH21 ARG A 57 22.306 6.606 -12.614 1.00 1.53 H new ATOM 0 HH22 ARG A 57 23.454 6.921 -11.309 1.00 1.53 H new ATOM 863 N GLN A 58 15.328 9.512 -11.457 1.00 4.53 N ATOM 864 CA GLN A 58 14.217 9.020 -10.601 1.00 21.12 C ATOM 865 C GLN A 58 13.222 8.292 -11.396 1.00 73.34 C ATOM 866 O GLN A 58 12.948 7.140 -11.172 1.00 14.44 O ATOM 867 CB GLN A 58 13.515 10.165 -9.898 1.00 43.40 C ATOM 868 CG GLN A 58 14.383 10.956 -8.927 1.00 40.42 C ATOM 869 CD GLN A 58 14.797 10.156 -7.702 1.00 73.40 C ATOM 870 OE1 GLN A 58 14.912 8.921 -7.743 1.00 74.22 O ATOM 871 NE2 GLN A 58 15.065 10.837 -6.627 1.00 63.30 N ATOM 0 H GLN A 58 15.546 10.497 -11.307 1.00 4.53 H new ATOM 0 HA GLN A 58 14.662 8.353 -9.862 1.00 21.12 H new ATOM 0 HB2 GLN A 58 13.124 10.849 -10.652 1.00 43.40 H new ATOM 0 HB3 GLN A 58 12.659 9.767 -9.354 1.00 43.40 H new ATOM 0 HG2 GLN A 58 15.277 11.300 -9.447 1.00 40.42 H new ATOM 0 HG3 GLN A 58 13.840 11.845 -8.606 1.00 40.42 H new ATOM 0 HE21 GLN A 58 14.960 11.852 -6.627 1.00 63.30 H new ATOM 0 HE22 GLN A 58 15.380 10.357 -5.784 1.00 63.30 H new ATOM 880 N THR A 59 12.678 9.025 -12.228 1.00 71.10 N ATOM 881 CA THR A 59 11.859 8.680 -13.261 1.00 43.45 C ATOM 882 C THR A 59 12.404 7.456 -14.010 1.00 62.33 C ATOM 883 O THR A 59 11.985 6.310 -13.730 1.00 44.14 O ATOM 884 CB THR A 59 11.967 10.033 -14.037 1.00 13.25 C ATOM 885 OG1 THR A 59 11.390 11.106 -13.307 1.00 41.43 O ATOM 886 CG2 THR A 59 11.637 10.095 -15.464 1.00 70.13 C ATOM 0 H THR A 59 12.819 10.035 -12.194 1.00 71.10 H new ATOM 0 HA THR A 59 10.841 8.361 -13.036 1.00 43.45 H new ATOM 0 HB THR A 59 13.050 10.138 -14.094 1.00 13.25 H new ATOM 0 HG1 THR A 59 12.099 11.700 -12.983 1.00 41.43 H new ATOM 0 HG21 THR A 59 11.772 11.115 -15.825 1.00 70.13 H new ATOM 0 HG22 THR A 59 12.293 9.424 -16.019 1.00 70.13 H new ATOM 0 HG23 THR A 59 10.600 9.793 -15.611 1.00 70.13 H new ATOM 894 N CYS A 60 13.327 7.645 -14.830 1.00 73.54 N ATOM 895 CA CYS A 60 13.571 6.611 -15.838 1.00 4.30 C ATOM 896 C CYS A 60 14.850 6.646 -16.561 1.00 31.13 C ATOM 897 O CYS A 60 14.892 6.144 -17.653 1.00 62.34 O ATOM 898 CB CYS A 60 12.487 6.685 -16.928 1.00 53.44 C ATOM 899 SG CYS A 60 10.759 6.215 -16.501 1.00 42.52 S ATOM 0 H CYS A 60 13.937 8.462 -14.866 1.00 73.54 H new ATOM 0 HA CYS A 60 13.572 5.700 -15.239 1.00 4.30 H new ATOM 0 HB2 CYS A 60 12.467 7.708 -17.303 1.00 53.44 H new ATOM 0 HB3 CYS A 60 12.807 6.049 -17.754 1.00 53.44 H new