USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=13 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= -0.179 X(o=-0.18,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 14:sc= -0.622 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0018 K(o=-0.0018,f=-4.1!) 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= -5.31! C(o=-5.3!,f=-14!) USER MOD Single : A 30 SER OG : rot -92:sc= 1.22 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 37 THR OG1 : rot 180:sc=0.000938 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= -2.18! K(o=-2.2!,f=-0.33) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0156 K(o=-0.016,f=-1.1) USER MOD Single : A 48 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.2) USER MOD Single : A 49 ASN : amide:sc= -1.35 K(o=-1.4,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= -0.0077 K(o=-0.0077,f=-1.4!) USER MOD Single : A 58 GLN : amide:sc= -3.6! K(o=-3.6!,f=-0.18) USER MOD Single : A 59 THR OG1 : rot 109:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 9 5.515 9.623 -19.405 1.00 14.54 N ATOM 135 CA TYR A 9 6.269 10.767 -19.738 1.00 23.51 C ATOM 136 C TYR A 9 7.615 10.402 -20.237 1.00 13.13 C ATOM 137 O TYR A 9 8.087 11.046 -21.135 1.00 51.43 O ATOM 138 CB TYR A 9 6.382 11.634 -18.496 1.00 55.40 C ATOM 139 CG TYR A 9 5.063 12.218 -18.081 1.00 75.52 C ATOM 140 CD1 TYR A 9 4.108 12.473 -19.040 1.00 65.11 C ATOM 141 CD2 TYR A 9 4.772 12.523 -16.757 1.00 42.44 C ATOM 142 CE1 TYR A 9 2.889 13.019 -18.713 1.00 64.32 C ATOM 143 CE2 TYR A 9 3.549 13.077 -16.410 1.00 20.44 C ATOM 144 CZ TYR A 9 2.610 13.324 -17.397 1.00 23.54 C ATOM 145 OH TYR A 9 1.386 13.876 -17.068 1.00 55.05 O ATOM 0 HA TYR A 9 5.768 11.311 -20.539 1.00 23.51 H new ATOM 0 HB2 TYR A 9 6.786 11.039 -17.677 1.00 55.40 H new ATOM 0 HB3 TYR A 9 7.090 12.441 -18.683 1.00 55.40 H new ATOM 0 HD1 TYR A 9 4.321 12.239 -20.072 1.00 65.11 H new ATOM 0 HD2 TYR A 9 5.506 12.326 -15.990 1.00 42.44 H new ATOM 0 HE1 TYR A 9 2.154 13.208 -19.482 1.00 64.32 H new ATOM 0 HE2 TYR A 9 3.331 13.314 -15.379 1.00 20.44 H new ATOM 0 HH TYR A 9 1.346 14.031 -16.101 1.00 55.05 H new ATOM 155 N CYS A 10 8.220 9.319 -19.648 1.00 24.14 N ATOM 156 CA CYS A 10 9.513 8.840 -20.079 1.00 52.15 C ATOM 157 C CYS A 10 9.544 8.783 -21.571 1.00 51.00 C ATOM 158 O CYS A 10 10.373 9.391 -22.194 1.00 1.12 O ATOM 159 CB CYS A 10 9.772 7.389 -19.643 1.00 2.21 C ATOM 160 SG CYS A 10 9.918 7.074 -17.873 1.00 52.22 S ATOM 0 H CYS A 10 7.809 8.787 -18.881 1.00 24.14 H new ATOM 0 HA CYS A 10 10.248 9.518 -19.645 1.00 52.15 H new ATOM 0 HB2 CYS A 10 8.963 6.770 -20.031 1.00 2.21 H new ATOM 0 HB3 CYS A 10 10.690 7.051 -20.123 1.00 2.21 H new ATOM 165 N ASN A 11 8.520 8.217 -22.158 1.00 11.40 N ATOM 166 CA ASN A 11 8.630 7.895 -23.597 1.00 2.21 C ATOM 167 C ASN A 11 8.136 9.013 -24.494 1.00 34.53 C ATOM 168 O ASN A 11 8.093 8.854 -25.727 1.00 33.54 O ATOM 169 CB ASN A 11 7.960 6.624 -23.995 1.00 51.31 C ATOM 170 CG ASN A 11 8.387 5.393 -23.202 1.00 72.10 C ATOM 171 OD1 ASN A 11 7.777 5.057 -22.182 1.00 3.54 O ATOM 172 ND2 ASN A 11 9.409 4.704 -23.659 1.00 13.43 N ATOM 0 H ASN A 11 7.637 7.972 -21.710 1.00 11.40 H new ATOM 0 HA ASN A 11 9.703 7.765 -23.742 1.00 2.21 H new ATOM 0 HB2 ASN A 11 6.883 6.750 -23.888 1.00 51.31 H new ATOM 0 HB3 ASN A 11 8.157 6.443 -25.052 1.00 51.31 H new ATOM 0 HD21 ASN A 11 9.719 3.865 -23.168 1.00 13.43 H new ATOM 0 HD22 ASN A 11 9.892 5.008 -24.504 1.00 13.43 H new ATOM 179 N LEU A 12 7.742 10.105 -23.916 1.00 40.40 N ATOM 180 CA LEU A 12 7.112 11.187 -24.658 1.00 41.32 C ATOM 181 C LEU A 12 8.147 12.176 -25.210 1.00 15.43 C ATOM 182 O LEU A 12 9.135 12.482 -24.563 1.00 73.21 O ATOM 183 CB LEU A 12 6.100 11.930 -23.775 1.00 63.32 C ATOM 184 CG LEU A 12 4.911 11.112 -23.263 1.00 64.30 C ATOM 185 CD1 LEU A 12 3.928 12.002 -22.527 1.00 20.43 C ATOM 186 CD2 LEU A 12 4.223 10.375 -24.399 1.00 65.32 C ATOM 0 H LEU A 12 7.842 10.285 -22.917 1.00 40.40 H new ATOM 0 HA LEU A 12 6.590 10.738 -25.503 1.00 41.32 H new ATOM 0 HB2 LEU A 12 6.631 12.336 -22.914 1.00 63.32 H new ATOM 0 HB3 LEU A 12 5.713 12.778 -24.339 1.00 63.32 H new ATOM 0 HG LEU A 12 5.291 10.367 -22.564 1.00 64.30 H new ATOM 0 HD11 LEU A 12 3.090 11.402 -22.171 1.00 20.43 H new ATOM 0 HD12 LEU A 12 4.426 12.470 -21.678 1.00 20.43 H new ATOM 0 HD13 LEU A 12 3.560 12.774 -23.203 1.00 20.43 H new ATOM 0 HD21 LEU A 12 3.383 9.803 -24.005 1.00 65.32 H new ATOM 0 HD22 LEU A 12 3.860 11.095 -25.133 1.00 65.32 H new ATOM 0 HD23 LEU A 12 4.932 9.698 -24.875 1.00 65.32 H new ATOM 198 N PRO A 13 7.931 12.662 -26.436 1.00 2.02 N ATOM 199 CA PRO A 13 8.803 13.662 -27.063 1.00 4.50 C ATOM 200 C PRO A 13 8.624 15.040 -26.397 1.00 42.51 C ATOM 201 O PRO A 13 7.529 15.379 -25.925 1.00 24.35 O ATOM 202 CB PRO A 13 8.300 13.709 -28.518 1.00 65.52 C ATOM 203 CG PRO A 13 7.412 12.521 -28.673 1.00 72.54 C ATOM 204 CD PRO A 13 6.835 12.270 -27.323 1.00 2.10 C ATOM 0 HA PRO A 13 9.861 13.414 -26.976 1.00 4.50 H new ATOM 0 HB2 PRO A 13 7.757 14.633 -28.715 1.00 65.52 H new ATOM 0 HB3 PRO A 13 9.132 13.672 -29.222 1.00 65.52 H new ATOM 0 HG2 PRO A 13 6.627 12.712 -29.405 1.00 72.54 H new ATOM 0 HG3 PRO A 13 7.973 11.656 -29.026 1.00 72.54 H new ATOM 0 HD2 PRO A 13 5.938 12.864 -27.148 1.00 2.10 H new ATOM 0 HD3 PRO A 13 6.557 11.225 -27.188 1.00 2.10 H new ATOM 212 N ALA A 14 9.697 15.807 -26.355 1.00 11.54 N ATOM 213 CA ALA A 14 9.696 17.118 -25.706 1.00 40.43 C ATOM 214 C ALA A 14 8.846 18.142 -26.483 1.00 2.21 C ATOM 215 O ALA A 14 8.827 18.106 -27.722 1.00 1.23 O ATOM 216 CB ALA A 14 11.113 17.606 -25.580 1.00 14.12 C ATOM 0 H ALA A 14 10.594 15.547 -26.766 1.00 11.54 H new ATOM 0 HA ALA A 14 9.248 17.012 -24.718 1.00 40.43 H new ATOM 0 HB1 ALA A 14 11.120 18.583 -25.097 1.00 14.12 H new ATOM 0 HB2 ALA A 14 11.689 16.901 -24.980 1.00 14.12 H new ATOM 0 HB3 ALA A 14 11.559 17.688 -26.571 1.00 14.12 H new ATOM 222 N ASP A 15 8.213 19.078 -25.774 1.00 1.52 N ATOM 223 CA ASP A 15 7.484 20.192 -26.383 1.00 75.45 C ATOM 224 C ASP A 15 7.909 21.503 -25.730 1.00 64.53 C ATOM 225 O ASP A 15 7.708 21.721 -24.546 1.00 62.24 O ATOM 226 CB ASP A 15 5.949 20.040 -26.385 1.00 72.40 C ATOM 227 CG ASP A 15 5.412 18.922 -27.268 1.00 12.01 C ATOM 228 OD1 ASP A 15 5.533 19.012 -28.515 1.00 44.13 O ATOM 229 OD2 ASP A 15 4.796 17.979 -26.769 1.00 42.42 O ATOM 0 H ASP A 15 8.192 19.085 -24.754 1.00 1.52 H new ATOM 0 HA ASP A 15 7.758 20.192 -27.438 1.00 75.45 H new ATOM 0 HB2 ASP A 15 5.615 19.866 -25.362 1.00 72.40 H new ATOM 0 HB3 ASP A 15 5.507 20.982 -26.709 1.00 72.40 H new ATOM 234 N SER A 16 8.547 22.337 -26.500 1.00 30.41 N ATOM 235 CA SER A 16 9.198 23.509 -25.985 1.00 21.23 C ATOM 236 C SER A 16 8.264 24.738 -25.739 1.00 13.42 C ATOM 237 O SER A 16 8.433 25.459 -24.744 1.00 0.10 O ATOM 238 CB SER A 16 10.393 23.870 -26.855 1.00 31.33 C ATOM 239 OG SER A 16 10.028 24.026 -28.233 1.00 5.32 O ATOM 0 H SER A 16 8.631 22.223 -27.510 1.00 30.41 H new ATOM 0 HA SER A 16 9.541 23.241 -24.986 1.00 21.23 H new ATOM 0 HB2 SER A 16 10.839 24.796 -26.491 1.00 31.33 H new ATOM 0 HB3 SER A 16 11.153 23.094 -26.767 1.00 31.33 H new ATOM 0 HG SER A 16 10.822 24.259 -28.757 1.00 5.32 H new ATOM 245 N GLY A 17 7.223 24.901 -26.566 1.00 61.14 N ATOM 246 CA GLY A 17 6.394 26.114 -26.488 1.00 53.32 C ATOM 247 C GLY A 17 7.066 27.318 -27.178 1.00 2.11 C ATOM 248 O GLY A 17 8.094 27.219 -27.857 1.00 14.53 O ATOM 0 H GLY A 17 6.939 24.229 -27.279 1.00 61.14 H new ATOM 0 HA2 GLY A 17 5.427 25.923 -26.953 1.00 53.32 H new ATOM 0 HA3 GLY A 17 6.203 26.356 -25.443 1.00 53.32 H new ATOM 252 N SER A 18 6.413 28.458 -26.955 1.00 33.05 N ATOM 253 CA SER A 18 6.801 29.679 -27.732 1.00 31.20 C ATOM 254 C SER A 18 7.838 30.486 -26.956 1.00 32.04 C ATOM 255 O SER A 18 8.327 31.548 -27.365 1.00 22.13 O ATOM 256 CB SER A 18 5.561 30.507 -28.055 1.00 30.21 C ATOM 257 OG SER A 18 4.825 30.805 -26.869 1.00 72.35 O ATOM 0 H SER A 18 5.653 28.582 -26.287 1.00 33.05 H new ATOM 0 HA SER A 18 7.256 29.382 -28.677 1.00 31.20 H new ATOM 0 HB2 SER A 18 5.856 31.434 -28.548 1.00 30.21 H new ATOM 0 HB3 SER A 18 4.927 29.962 -28.754 1.00 30.21 H new ATOM 0 HG SER A 18 4.035 31.338 -27.099 1.00 72.35 H new ATOM 263 N GLY A 19 8.161 29.883 -25.879 1.00 40.42 N ATOM 264 CA GLY A 19 9.270 30.346 -25.144 1.00 64.24 C ATOM 265 C GLY A 19 8.984 31.426 -24.190 1.00 1.24 C ATOM 266 O GLY A 19 8.188 32.315 -24.439 1.00 22.54 O ATOM 0 H GLY A 19 7.678 29.074 -25.488 1.00 40.42 H new ATOM 0 HA2 GLY A 19 9.700 29.506 -24.598 1.00 64.24 H new ATOM 0 HA3 GLY A 19 10.030 30.694 -25.844 1.00 64.24 H new ATOM 270 N THR A 20 9.571 31.300 -23.076 1.00 23.54 N ATOM 271 CA THR A 20 9.578 32.234 -22.033 1.00 52.44 C ATOM 272 C THR A 20 10.838 32.034 -21.185 1.00 72.01 C ATOM 273 O THR A 20 11.652 32.944 -21.053 1.00 10.13 O ATOM 274 CB THR A 20 8.234 32.145 -21.265 1.00 33.23 C ATOM 275 OG1 THR A 20 7.052 32.583 -21.915 1.00 61.41 O ATOM 276 CG2 THR A 20 7.973 30.773 -20.628 1.00 4.22 C ATOM 0 H THR A 20 10.109 30.464 -22.848 1.00 23.54 H new ATOM 0 HA THR A 20 9.637 33.260 -22.398 1.00 52.44 H new ATOM 0 HB THR A 20 8.428 32.895 -20.499 1.00 33.23 H new ATOM 0 HG1 THR A 20 7.226 32.691 -22.873 1.00 61.41 H new ATOM 0 HG21 THR A 20 7.015 30.789 -20.109 1.00 4.22 H new ATOM 0 HG22 THR A 20 7.952 30.009 -21.405 1.00 4.22 H new ATOM 0 HG23 THR A 20 8.767 30.545 -19.917 1.00 4.22 H new ATOM 284 N LYS A 21 11.008 30.873 -20.659 1.00 0.44 N ATOM 285 CA LYS A 21 12.237 30.570 -19.972 1.00 23.13 C ATOM 286 C LYS A 21 12.965 29.543 -20.811 1.00 1.43 C ATOM 287 O LYS A 21 12.573 28.405 -20.827 1.00 15.03 O ATOM 288 CB LYS A 21 11.973 30.011 -18.569 1.00 34.30 C ATOM 289 CG LYS A 21 11.227 30.952 -17.638 1.00 62.44 C ATOM 290 CD LYS A 21 11.115 30.348 -16.251 1.00 44.44 C ATOM 291 CE LYS A 21 10.355 31.257 -15.303 1.00 42.14 C ATOM 292 NZ LYS A 21 10.308 30.702 -13.933 1.00 53.12 N ATOM 0 H LYS A 21 10.325 30.116 -20.684 1.00 0.44 H new ATOM 0 HA LYS A 21 12.829 31.476 -19.845 1.00 23.13 H new ATOM 0 HB2 LYS A 21 11.402 29.087 -18.663 1.00 34.30 H new ATOM 0 HB3 LYS A 21 12.927 29.751 -18.111 1.00 34.30 H new ATOM 0 HG2 LYS A 21 11.748 31.908 -17.584 1.00 62.44 H new ATOM 0 HG3 LYS A 21 10.232 31.153 -18.035 1.00 62.44 H new ATOM 0 HD2 LYS A 21 10.610 29.384 -16.314 1.00 44.44 H new ATOM 0 HD3 LYS A 21 12.113 30.161 -15.854 1.00 44.44 H new ATOM 0 HE2 LYS A 21 10.829 32.239 -15.282 1.00 42.14 H new ATOM 0 HE3 LYS A 21 9.340 31.401 -15.672 1.00 42.14 H new ATOM 0 HZ1 LYS A 21 9.781 31.350 -13.314 1.00 53.12 H new ATOM 0 HZ2 LYS A 21 9.834 29.777 -13.949 1.00 53.12 H new ATOM 0 HZ3 LYS A 21 11.276 30.588 -13.571 1.00 53.12 H new ATOM 306 N PRO A 22 13.967 29.954 -21.594 1.00 25.04 N ATOM 307 CA PRO A 22 14.728 29.050 -22.437 1.00 3.22 C ATOM 308 C PRO A 22 15.838 28.402 -21.633 1.00 22.44 C ATOM 309 O PRO A 22 16.858 29.033 -21.338 1.00 55.53 O ATOM 310 CB PRO A 22 15.318 29.973 -23.522 1.00 74.14 C ATOM 311 CG PRO A 22 14.948 31.376 -23.125 1.00 31.43 C ATOM 312 CD PRO A 22 14.461 31.320 -21.707 1.00 45.22 C ATOM 0 HA PRO A 22 14.126 28.241 -22.852 1.00 3.22 H new ATOM 0 HB2 PRO A 22 16.400 29.859 -23.584 1.00 74.14 H new ATOM 0 HB3 PRO A 22 14.914 29.727 -24.504 1.00 74.14 H new ATOM 0 HG2 PRO A 22 15.808 32.040 -23.211 1.00 31.43 H new ATOM 0 HG3 PRO A 22 14.174 31.771 -23.783 1.00 31.43 H new ATOM 0 HD2 PRO A 22 15.262 31.522 -20.995 1.00 45.22 H new ATOM 0 HD3 PRO A 22 13.675 32.052 -21.519 1.00 45.22 H new ATOM 320 N GLU A 23 15.664 27.164 -21.290 1.00 64.41 N ATOM 321 CA GLU A 23 16.564 26.495 -20.394 1.00 13.42 C ATOM 322 C GLU A 23 17.028 25.205 -21.058 1.00 22.51 C ATOM 323 O GLU A 23 16.477 24.803 -22.104 1.00 61.11 O ATOM 324 CB GLU A 23 15.759 26.105 -19.146 1.00 31.50 C ATOM 325 CG GLU A 23 15.013 27.255 -18.484 1.00 40.30 C ATOM 326 CD GLU A 23 14.202 26.812 -17.296 1.00 32.00 C ATOM 327 OE1 GLU A 23 13.446 25.816 -17.392 1.00 73.22 O ATOM 328 OE2 GLU A 23 14.357 27.399 -16.199 1.00 53.01 O ATOM 0 H GLU A 23 14.893 26.585 -21.622 1.00 64.41 H new ATOM 0 HA GLU A 23 17.413 27.132 -20.146 1.00 13.42 H new ATOM 0 HB2 GLU A 23 15.039 25.334 -19.421 1.00 31.50 H new ATOM 0 HB3 GLU A 23 16.437 25.662 -18.417 1.00 31.50 H new ATOM 0 HG2 GLU A 23 15.729 28.013 -18.168 1.00 40.30 H new ATOM 0 HG3 GLU A 23 14.354 27.724 -19.215 1.00 40.30 H new ATOM 335 N GLN A 24 18.011 24.556 -20.468 1.00 21.35 N ATOM 336 CA GLN A 24 18.326 23.208 -20.827 1.00 41.12 C ATOM 337 C GLN A 24 17.537 22.383 -19.908 1.00 42.40 C ATOM 338 O GLN A 24 17.601 22.620 -18.702 1.00 44.11 O ATOM 339 CB GLN A 24 19.801 22.842 -20.769 1.00 70.33 C ATOM 340 CG GLN A 24 20.659 23.564 -21.773 1.00 20.00 C ATOM 341 CD GLN A 24 21.287 24.851 -21.268 1.00 70.30 C ATOM 342 OE1 GLN A 24 20.740 25.557 -20.417 1.00 44.01 O ATOM 343 NE2 GLN A 24 22.442 25.166 -21.787 1.00 52.25 N ATOM 0 H GLN A 24 18.602 24.951 -19.736 1.00 21.35 H new ATOM 0 HA GLN A 24 18.084 23.049 -21.878 1.00 41.12 H new ATOM 0 HB2 GLN A 24 20.177 23.054 -19.768 1.00 70.33 H new ATOM 0 HB3 GLN A 24 19.903 21.768 -20.927 1.00 70.33 H new ATOM 0 HG2 GLN A 24 21.453 22.893 -22.100 1.00 20.00 H new ATOM 0 HG3 GLN A 24 20.053 23.792 -22.650 1.00 20.00 H new ATOM 0 HE21 GLN A 24 22.868 24.561 -22.489 1.00 52.25 H new ATOM 0 HE22 GLN A 24 22.919 26.018 -21.491 1.00 52.25 H new ATOM 352 N ARG A 25 16.864 21.406 -20.383 1.00 15.12 N ATOM 353 CA ARG A 25 16.152 20.491 -19.523 1.00 1.33 C ATOM 354 C ARG A 25 16.407 19.147 -20.009 1.00 71.43 C ATOM 355 O ARG A 25 17.077 19.020 -20.993 1.00 42.43 O ATOM 356 CB ARG A 25 14.699 20.778 -19.506 1.00 32.12 C ATOM 357 CG ARG A 25 14.395 22.154 -18.886 1.00 2.13 C ATOM 358 CD ARG A 25 14.927 22.199 -17.478 1.00 24.03 C ATOM 359 NE ARG A 25 14.820 23.499 -16.814 1.00 30.12 N ATOM 360 CZ ARG A 25 15.538 23.843 -15.725 1.00 1.22 C ATOM 361 NH1 ARG A 25 16.510 23.038 -15.270 1.00 54.53 N ATOM 362 NH2 ARG A 25 15.343 25.007 -15.149 1.00 63.44 N ATOM 0 H ARG A 25 16.780 21.202 -21.379 1.00 15.12 H new ATOM 0 HA ARG A 25 16.501 20.601 -18.496 1.00 1.33 H new ATOM 0 HB2 ARG A 25 14.310 20.744 -20.524 1.00 32.12 H new ATOM 0 HB3 ARG A 25 14.182 20.002 -18.941 1.00 32.12 H new ATOM 0 HG2 ARG A 25 14.851 22.943 -19.484 1.00 2.13 H new ATOM 0 HG3 ARG A 25 13.320 22.335 -18.886 1.00 2.13 H new ATOM 0 HD2 ARG A 25 14.394 21.459 -16.881 1.00 24.03 H new ATOM 0 HD3 ARG A 25 15.975 21.901 -17.493 1.00 24.03 H new ATOM 0 HE ARG A 25 14.166 24.183 -17.196 1.00 30.12 H new ATOM 0 HH11 ARG A 25 16.710 22.159 -15.748 1.00 54.53 H new ATOM 0 HH12 ARG A 25 17.049 23.305 -14.446 1.00 54.53 H new ATOM 0 HH21 ARG A 25 14.648 25.652 -15.525 1.00 63.44 H new ATOM 0 HH22 ARG A 25 15.886 25.266 -14.326 1.00 63.44 H new ATOM 376 N ILE A 26 15.853 18.143 -19.393 1.00 71.12 N ATOM 377 CA ILE A 26 16.293 16.818 -19.689 1.00 24.23 C ATOM 378 C ILE A 26 15.083 15.845 -19.729 1.00 62.13 C ATOM 379 O ILE A 26 14.241 15.886 -18.847 1.00 25.33 O ATOM 380 CB ILE A 26 17.233 16.363 -18.522 1.00 1.51 C ATOM 381 CG1 ILE A 26 18.336 17.383 -18.254 1.00 44.53 C ATOM 382 CG2 ILE A 26 17.913 15.081 -18.901 1.00 1.03 C ATOM 383 CD1 ILE A 26 18.980 17.205 -16.916 1.00 0.23 C ATOM 0 H ILE A 26 15.111 18.216 -18.697 1.00 71.12 H new ATOM 0 HA ILE A 26 16.800 16.806 -20.654 1.00 24.23 H new ATOM 0 HB ILE A 26 16.611 16.250 -17.634 1.00 1.51 H new ATOM 0 HG12 ILE A 26 19.096 17.302 -19.031 1.00 44.53 H new ATOM 0 HG13 ILE A 26 17.919 18.388 -18.320 1.00 44.53 H new ATOM 0 HG21 ILE A 26 18.568 14.763 -18.090 1.00 1.03 H new ATOM 0 HG22 ILE A 26 17.163 14.312 -19.085 1.00 1.03 H new ATOM 0 HG23 ILE A 26 18.503 15.235 -19.804 1.00 1.03 H new ATOM 0 HD11 ILE A 26 19.756 17.959 -16.783 1.00 0.23 H new ATOM 0 HD12 ILE A 26 18.229 17.315 -16.133 1.00 0.23 H new ATOM 0 HD13 ILE A 26 19.425 16.212 -16.856 1.00 0.23 H new ATOM 395 N TYR A 27 14.980 15.033 -20.758 1.00 62.51 N ATOM 396 CA TYR A 27 13.782 14.216 -20.979 1.00 15.32 C ATOM 397 C TYR A 27 14.287 12.850 -21.466 1.00 61.05 C ATOM 398 O TYR A 27 15.409 12.750 -21.976 1.00 34.54 O ATOM 399 CB TYR A 27 12.869 14.863 -22.067 1.00 51.22 C ATOM 400 CG TYR A 27 13.416 14.852 -23.471 1.00 12.25 C ATOM 401 CD1 TYR A 27 14.284 15.820 -23.926 1.00 70.34 C ATOM 402 CD2 TYR A 27 13.037 13.842 -24.346 1.00 5.44 C ATOM 403 CE1 TYR A 27 14.766 15.767 -25.232 1.00 64.01 C ATOM 404 CE2 TYR A 27 13.503 13.790 -25.626 1.00 30.41 C ATOM 405 CZ TYR A 27 14.371 14.745 -26.067 1.00 35.14 C ATOM 406 OH TYR A 27 14.818 14.704 -27.378 1.00 63.03 O ATOM 0 H TYR A 27 15.707 14.913 -21.463 1.00 62.51 H new ATOM 0 HA TYR A 27 13.190 14.129 -20.068 1.00 15.32 H new ATOM 0 HB2 TYR A 27 11.911 14.344 -22.066 1.00 51.22 H new ATOM 0 HB3 TYR A 27 12.672 15.896 -21.782 1.00 51.22 H new ATOM 0 HD1 TYR A 27 14.591 16.621 -23.270 1.00 70.34 H new ATOM 0 HD2 TYR A 27 12.355 13.078 -24.003 1.00 5.44 H new ATOM 0 HE1 TYR A 27 15.447 16.525 -25.589 1.00 64.01 H new ATOM 0 HE2 TYR A 27 13.187 12.997 -26.287 1.00 30.41 H new ATOM 0 HH TYR A 27 14.445 13.917 -27.826 1.00 63.03 H new ATOM 416 N TYR A 28 13.482 11.799 -21.308 1.00 65.12 N ATOM 417 CA TYR A 28 13.852 10.454 -21.721 1.00 43.21 C ATOM 418 C TYR A 28 13.591 10.286 -23.213 1.00 71.30 C ATOM 419 O TYR A 28 12.546 10.657 -23.732 1.00 10.21 O ATOM 420 CB TYR A 28 13.109 9.384 -20.877 1.00 31.35 C ATOM 421 CG TYR A 28 13.270 7.916 -21.305 1.00 31.42 C ATOM 422 CD1 TYR A 28 14.308 7.132 -20.891 1.00 71.31 C ATOM 423 CD2 TYR A 28 12.299 7.321 -22.083 1.00 32.14 C ATOM 424 CE1 TYR A 28 14.356 5.794 -21.244 1.00 23.24 C ATOM 425 CE2 TYR A 28 12.340 6.017 -22.445 1.00 11.43 C ATOM 426 CZ TYR A 28 13.356 5.250 -22.026 1.00 20.31 C ATOM 427 OH TYR A 28 13.376 3.921 -22.372 1.00 34.43 O ATOM 0 H TYR A 28 12.554 11.861 -20.889 1.00 65.12 H new ATOM 0 HA TYR A 28 14.917 10.307 -21.543 1.00 43.21 H new ATOM 0 HB2 TYR A 28 13.447 9.474 -19.844 1.00 31.35 H new ATOM 0 HB3 TYR A 28 12.046 9.624 -20.887 1.00 31.35 H new ATOM 0 HD1 TYR A 28 15.095 7.557 -20.286 1.00 71.31 H new ATOM 0 HD2 TYR A 28 11.468 7.923 -22.419 1.00 32.14 H new ATOM 0 HE1 TYR A 28 15.175 5.176 -20.908 1.00 23.24 H new ATOM 0 HE2 TYR A 28 11.561 5.599 -23.066 1.00 11.43 H new ATOM 0 HH TYR A 28 12.593 3.715 -22.924 1.00 34.43 H new ATOM 437 N ASN A 29 14.591 9.811 -23.863 1.00 4.21 N ATOM 438 CA ASN A 29 14.451 9.522 -25.282 1.00 4.33 C ATOM 439 C ASN A 29 13.593 8.312 -25.419 1.00 14.41 C ATOM 440 O ASN A 29 13.795 7.308 -24.772 1.00 63.23 O ATOM 441 CB ASN A 29 15.772 9.207 -25.922 1.00 24.34 C ATOM 442 CG ASN A 29 16.749 10.314 -25.831 1.00 33.32 C ATOM 443 OD1 ASN A 29 17.462 10.412 -24.871 1.00 50.21 O ATOM 444 ND2 ASN A 29 16.803 11.146 -26.843 1.00 61.31 N ATOM 0 H ASN A 29 15.508 9.610 -23.463 1.00 4.21 H new ATOM 0 HA ASN A 29 14.025 10.399 -25.769 1.00 4.33 H new ATOM 0 HB2 ASN A 29 16.194 8.320 -25.449 1.00 24.34 H new ATOM 0 HB3 ASN A 29 15.609 8.961 -26.971 1.00 24.34 H new ATOM 0 HD21 ASN A 29 17.472 11.916 -26.835 1.00 61.31 H new ATOM 0 HD22 ASN A 29 16.176 11.023 -27.638 1.00 61.31 H new ATOM 451 N SER A 30 12.766 8.391 -26.440 1.00 64.14 N ATOM 452 CA SER A 30 11.639 7.502 -26.703 1.00 3.11 C ATOM 453 C SER A 30 12.246 6.280 -27.416 1.00 71.15 C ATOM 454 O SER A 30 12.200 5.156 -26.934 1.00 32.33 O ATOM 455 CB SER A 30 10.685 8.231 -27.679 1.00 5.52 C ATOM 456 OG SER A 30 10.307 9.509 -27.171 1.00 53.21 O ATOM 0 H SER A 30 12.862 9.115 -27.152 1.00 64.14 H new ATOM 0 HA SER A 30 11.096 7.219 -25.801 1.00 3.11 H new ATOM 0 HB2 SER A 30 11.172 8.351 -28.647 1.00 5.52 H new ATOM 0 HB3 SER A 30 9.795 7.624 -27.843 1.00 5.52 H new ATOM 0 HG SER A 30 9.475 9.425 -26.660 1.00 53.21 H new ATOM 462 N ALA A 31 12.794 6.587 -28.600 1.00 53.20 N ATOM 463 CA ALA A 31 13.535 5.614 -29.415 1.00 74.52 C ATOM 464 C ALA A 31 14.716 5.021 -28.629 1.00 51.33 C ATOM 465 O ALA A 31 14.860 3.822 -28.428 1.00 11.45 O ATOM 466 CB ALA A 31 14.019 6.262 -30.697 1.00 65.52 C ATOM 0 H ALA A 31 12.736 7.515 -29.019 1.00 53.20 H new ATOM 0 HA ALA A 31 12.859 4.798 -29.670 1.00 74.52 H new ATOM 0 HB1 ALA A 31 14.566 5.530 -31.291 1.00 65.52 H new ATOM 0 HB2 ALA A 31 13.164 6.625 -31.267 1.00 65.52 H new ATOM 0 HB3 ALA A 31 14.676 7.098 -30.457 1.00 65.52 H new ATOM 472 N LYS A 32 15.535 5.968 -28.209 1.00 23.51 N ATOM 473 CA LYS A 32 16.941 5.717 -27.830 1.00 63.31 C ATOM 474 C LYS A 32 17.170 5.268 -26.405 1.00 10.25 C ATOM 475 O LYS A 32 18.219 4.734 -26.057 1.00 10.11 O ATOM 476 CB LYS A 32 17.740 6.998 -27.985 1.00 23.51 C ATOM 477 CG LYS A 32 17.638 7.655 -29.327 1.00 44.13 C ATOM 478 CD LYS A 32 18.657 8.768 -29.432 1.00 12.35 C ATOM 479 CE LYS A 32 18.621 9.464 -30.781 1.00 54.14 C ATOM 480 NZ LYS A 32 19.628 10.543 -30.847 1.00 23.23 N ATOM 0 H LYS A 32 15.255 6.944 -28.116 1.00 23.51 H new ATOM 0 HA LYS A 32 17.250 4.907 -28.490 1.00 63.31 H new ATOM 0 HB2 LYS A 32 17.411 7.707 -27.225 1.00 23.51 H new ATOM 0 HB3 LYS A 32 18.789 6.780 -27.784 1.00 23.51 H new ATOM 0 HG2 LYS A 32 17.805 6.921 -30.115 1.00 44.13 H new ATOM 0 HG3 LYS A 32 16.634 8.054 -29.471 1.00 44.13 H new ATOM 0 HD2 LYS A 32 18.474 9.499 -28.645 1.00 12.35 H new ATOM 0 HD3 LYS A 32 19.654 8.361 -29.263 1.00 12.35 H new ATOM 0 HE2 LYS A 32 18.807 8.739 -31.573 1.00 54.14 H new ATOM 0 HE3 LYS A 32 17.628 9.878 -30.954 1.00 54.14 H new ATOM 0 HZ1 LYS A 32 19.583 11.003 -31.779 1.00 23.23 H new ATOM 0 HZ2 LYS A 32 19.434 11.245 -30.105 1.00 23.23 H new ATOM 0 HZ3 LYS A 32 20.577 10.142 -30.704 1.00 23.23 H new ATOM 494 N LYS A 33 16.107 5.463 -25.655 1.00 34.04 N ATOM 495 CA LYS A 33 16.019 4.991 -24.271 1.00 22.00 C ATOM 496 C LYS A 33 17.143 5.549 -23.404 1.00 1.05 C ATOM 497 O LYS A 33 17.724 4.851 -22.590 1.00 1.43 O ATOM 498 CB LYS A 33 15.978 3.468 -24.238 1.00 24.50 C ATOM 499 CG LYS A 33 14.822 2.992 -25.043 1.00 2.35 C ATOM 500 CD LYS A 33 14.367 1.634 -24.702 1.00 71.14 C ATOM 501 CE LYS A 33 13.009 1.524 -25.276 1.00 45.33 C ATOM 502 NZ LYS A 33 12.333 0.259 -24.956 1.00 13.13 N ATOM 0 H LYS A 33 15.273 5.953 -25.979 1.00 34.04 H new ATOM 0 HA LYS A 33 15.090 5.367 -23.843 1.00 22.00 H new ATOM 0 HB2 LYS A 33 16.907 3.059 -24.636 1.00 24.50 H new ATOM 0 HB3 LYS A 33 15.890 3.117 -23.210 1.00 24.50 H new ATOM 0 HG2 LYS A 33 13.991 3.685 -24.910 1.00 2.35 H new ATOM 0 HG3 LYS A 33 15.093 3.018 -26.098 1.00 2.35 H new ATOM 0 HD2 LYS A 33 15.033 0.879 -25.120 1.00 71.14 H new ATOM 0 HD3 LYS A 33 14.352 1.483 -23.623 1.00 71.14 H new ATOM 0 HE2 LYS A 33 12.402 2.353 -24.911 1.00 45.33 H new ATOM 0 HE3 LYS A 33 13.072 1.628 -26.359 1.00 45.33 H new ATOM 0 HZ1 LYS A 33 11.388 0.251 -25.390 1.00 13.13 H new ATOM 0 HZ2 LYS A 33 12.891 -0.536 -25.327 1.00 13.13 H new ATOM 0 HZ3 LYS A 33 12.241 0.166 -23.924 1.00 13.13 H new ATOM 516 N GLN A 34 17.402 6.819 -23.617 1.00 61.23 N ATOM 517 CA GLN A 34 18.456 7.576 -22.948 1.00 40.33 C ATOM 518 C GLN A 34 17.759 8.755 -22.253 1.00 12.52 C ATOM 519 O GLN A 34 16.540 8.829 -22.243 1.00 65.33 O ATOM 520 CB GLN A 34 19.463 8.128 -23.984 1.00 3.11 C ATOM 521 CG GLN A 34 20.119 7.103 -24.913 1.00 74.23 C ATOM 522 CD GLN A 34 21.011 6.094 -24.207 1.00 54.45 C ATOM 523 OE1 GLN A 34 20.579 5.023 -23.798 1.00 33.25 O ATOM 524 NE2 GLN A 34 22.258 6.425 -24.064 1.00 43.10 N ATOM 0 H GLN A 34 16.871 7.380 -24.283 1.00 61.23 H new ATOM 0 HA GLN A 34 19.002 6.946 -22.246 1.00 40.33 H new ATOM 0 HB2 GLN A 34 18.949 8.866 -24.599 1.00 3.11 H new ATOM 0 HB3 GLN A 34 20.251 8.655 -23.446 1.00 3.11 H new ATOM 0 HG2 GLN A 34 19.338 6.565 -25.450 1.00 74.23 H new ATOM 0 HG3 GLN A 34 20.711 7.634 -25.659 1.00 74.23 H new ATOM 0 HE21 GLN A 34 22.591 7.323 -24.414 1.00 43.10 H new ATOM 0 HE22 GLN A 34 22.905 5.787 -23.601 1.00 43.10 H new ATOM 533 N CYS A 35 18.534 9.690 -21.731 1.00 33.22 N ATOM 534 CA CYS A 35 17.893 10.845 -21.111 1.00 72.33 C ATOM 535 C CYS A 35 18.682 12.008 -21.612 1.00 32.24 C ATOM 536 O CYS A 35 19.807 12.242 -21.136 1.00 60.42 O ATOM 537 CB CYS A 35 17.892 10.819 -19.563 1.00 63.01 C ATOM 538 SG CYS A 35 16.893 12.177 -18.802 1.00 34.51 S ATOM 0 H CYS A 35 19.554 9.682 -21.719 1.00 33.22 H new ATOM 0 HA CYS A 35 16.835 10.877 -21.372 1.00 72.33 H new ATOM 0 HB2 CYS A 35 17.503 9.859 -19.224 1.00 63.01 H new ATOM 0 HB3 CYS A 35 18.919 10.891 -19.206 1.00 63.01 H new ATOM 543 N VAL A 36 18.185 12.728 -22.572 1.00 41.23 N ATOM 544 CA VAL A 36 18.953 13.796 -23.141 1.00 64.12 C ATOM 545 C VAL A 36 18.279 15.110 -22.838 1.00 14.10 C ATOM 546 O VAL A 36 17.162 15.145 -22.349 1.00 64.14 O ATOM 547 CB VAL A 36 19.096 13.684 -24.701 1.00 33.25 C ATOM 548 CG1 VAL A 36 19.656 12.352 -25.137 1.00 53.11 C ATOM 549 CG2 VAL A 36 17.768 13.938 -25.399 1.00 40.41 C ATOM 0 H VAL A 36 17.258 12.598 -22.976 1.00 41.23 H new ATOM 0 HA VAL A 36 19.948 13.734 -22.700 1.00 64.12 H new ATOM 0 HB VAL A 36 19.807 14.456 -24.996 1.00 33.25 H new ATOM 0 HG11 VAL A 36 19.734 12.328 -26.224 1.00 53.11 H new ATOM 0 HG12 VAL A 36 20.644 12.212 -24.699 1.00 53.11 H new ATOM 0 HG13 VAL A 36 18.995 11.552 -24.803 1.00 53.11 H new ATOM 0 HG21 VAL A 36 17.902 13.853 -26.477 1.00 40.41 H new ATOM 0 HG22 VAL A 36 17.035 13.203 -25.065 1.00 40.41 H new ATOM 0 HG23 VAL A 36 17.415 14.940 -25.155 1.00 40.41 H new ATOM 559 N THR A 37 18.967 16.176 -23.116 1.00 3.22 N ATOM 560 CA THR A 37 18.437 17.468 -22.897 1.00 62.11 C ATOM 561 C THR A 37 17.577 17.971 -24.046 1.00 12.14 C ATOM 562 O THR A 37 17.717 17.530 -25.203 1.00 24.50 O ATOM 563 CB THR A 37 19.559 18.489 -22.608 1.00 44.41 C ATOM 564 OG1 THR A 37 20.544 18.465 -23.664 1.00 14.14 O ATOM 565 CG2 THR A 37 20.207 18.217 -21.263 1.00 51.12 C ATOM 0 H THR A 37 19.911 16.164 -23.501 1.00 3.22 H new ATOM 0 HA THR A 37 17.790 17.374 -22.024 1.00 62.11 H new ATOM 0 HB THR A 37 19.115 19.484 -22.571 1.00 44.41 H new ATOM 0 HG1 THR A 37 21.248 19.118 -23.469 1.00 14.14 H new ATOM 0 HG21 THR A 37 20.994 18.950 -21.083 1.00 51.12 H new ATOM 0 HG22 THR A 37 19.456 18.290 -20.476 1.00 51.12 H new ATOM 0 HG23 THR A 37 20.637 17.215 -21.262 1.00 51.12 H new ATOM 573 N PHE A 38 16.727 18.920 -23.722 1.00 40.24 N ATOM 574 CA PHE A 38 15.869 19.526 -24.664 1.00 22.30 C ATOM 575 C PHE A 38 15.747 20.940 -24.314 1.00 62.43 C ATOM 576 O PHE A 38 16.071 21.359 -23.185 1.00 41.41 O ATOM 577 CB PHE A 38 14.471 18.966 -24.707 1.00 25.14 C ATOM 578 CG PHE A 38 13.568 19.178 -23.543 1.00 72.22 C ATOM 579 CD1 PHE A 38 13.701 18.515 -22.347 1.00 20.31 C ATOM 580 CD2 PHE A 38 12.523 20.048 -23.710 1.00 34.02 C ATOM 581 CE1 PHE A 38 12.797 18.730 -21.340 1.00 52.13 C ATOM 582 CE2 PHE A 38 11.629 20.282 -22.732 1.00 62.02 C ATOM 583 CZ PHE A 38 11.757 19.620 -21.531 1.00 53.33 C ATOM 0 H PHE A 38 16.626 19.285 -22.775 1.00 40.24 H new ATOM 0 HA PHE A 38 16.317 19.341 -25.640 1.00 22.30 H new ATOM 0 HB2 PHE A 38 13.978 19.382 -25.585 1.00 25.14 H new ATOM 0 HB3 PHE A 38 14.553 17.891 -24.867 1.00 25.14 H new ATOM 0 HD1 PHE A 38 14.518 17.824 -22.201 1.00 20.31 H new ATOM 0 HD2 PHE A 38 12.414 20.561 -24.654 1.00 34.02 H new ATOM 0 HE1 PHE A 38 12.897 18.206 -20.401 1.00 52.13 H new ATOM 0 HE2 PHE A 38 10.820 20.981 -22.887 1.00 62.02 H new ATOM 0 HZ PHE A 38 11.045 19.796 -20.739 1.00 53.33 H new ATOM 593 N THR A 39 15.340 21.658 -25.260 1.00 40.01 N ATOM 594 CA THR A 39 15.094 23.032 -25.140 1.00 62.15 C ATOM 595 C THR A 39 13.737 23.213 -24.472 1.00 42.44 C ATOM 596 O THR A 39 12.695 22.985 -25.076 1.00 62.05 O ATOM 597 CB THR A 39 14.976 23.609 -26.530 1.00 20.21 C ATOM 598 OG1 THR A 39 16.157 23.262 -27.280 1.00 72.21 O ATOM 599 CG2 THR A 39 14.829 25.121 -26.483 1.00 60.24 C ATOM 0 H THR A 39 15.156 21.292 -26.194 1.00 40.01 H new ATOM 0 HA THR A 39 15.889 23.513 -24.571 1.00 62.15 H new ATOM 0 HB THR A 39 14.088 23.196 -27.008 1.00 20.21 H new ATOM 0 HG1 THR A 39 16.090 23.631 -28.185 1.00 72.21 H new ATOM 0 HG21 THR A 39 14.746 25.510 -27.498 1.00 60.24 H new ATOM 0 HG22 THR A 39 13.933 25.382 -25.920 1.00 60.24 H new ATOM 0 HG23 THR A 39 15.702 25.557 -25.998 1.00 60.24 H new ATOM 607 N TYR A 40 13.768 23.608 -23.248 1.00 23.12 N ATOM 608 CA TYR A 40 12.517 23.812 -22.585 1.00 20.15 C ATOM 609 C TYR A 40 12.239 25.253 -22.529 1.00 52.12 C ATOM 610 O TYR A 40 12.996 25.985 -21.927 1.00 3.44 O ATOM 611 CB TYR A 40 12.529 23.189 -21.194 1.00 54.52 C ATOM 612 CG TYR A 40 11.242 23.275 -20.336 1.00 4.14 C ATOM 613 CD1 TYR A 40 10.230 22.286 -20.396 1.00 71.42 C ATOM 614 CD2 TYR A 40 11.071 24.307 -19.417 1.00 65.23 C ATOM 615 CE1 TYR A 40 9.118 22.354 -19.588 1.00 43.21 C ATOM 616 CE2 TYR A 40 9.957 24.359 -18.598 1.00 10.43 C ATOM 617 CZ TYR A 40 8.985 23.383 -18.695 1.00 32.50 C ATOM 618 OH TYR A 40 7.887 23.415 -17.861 1.00 44.23 O ATOM 0 H TYR A 40 14.607 23.792 -22.698 1.00 23.12 H new ATOM 0 HA TYR A 40 11.722 23.319 -23.144 1.00 20.15 H new ATOM 0 HB2 TYR A 40 12.784 22.135 -21.305 1.00 54.52 H new ATOM 0 HB3 TYR A 40 13.336 23.655 -20.629 1.00 54.52 H new ATOM 0 HD1 TYR A 40 10.333 21.464 -21.088 1.00 71.42 H new ATOM 0 HD2 TYR A 40 11.821 25.080 -19.342 1.00 65.23 H new ATOM 0 HE1 TYR A 40 8.351 21.597 -19.658 1.00 43.21 H new ATOM 0 HE2 TYR A 40 9.848 25.162 -17.884 1.00 10.43 H new ATOM 0 HH TYR A 40 7.937 24.206 -17.285 1.00 44.23 H new ATOM 628 N ASN A 41 11.276 25.689 -23.287 1.00 75.13 N ATOM 629 CA ASN A 41 10.956 27.070 -23.340 1.00 12.30 C ATOM 630 C ASN A 41 9.922 27.414 -22.320 1.00 51.34 C ATOM 631 O ASN A 41 9.730 28.584 -22.005 1.00 70.34 O ATOM 632 CB ASN A 41 10.576 27.519 -24.738 1.00 12.25 C ATOM 633 CG ASN A 41 11.714 27.469 -25.740 1.00 21.54 C ATOM 634 OD1 ASN A 41 11.506 27.225 -26.917 1.00 21.54 O ATOM 635 ND2 ASN A 41 12.910 27.745 -25.293 1.00 51.14 N ATOM 0 H ASN A 41 10.698 25.094 -23.880 1.00 75.13 H new ATOM 0 HA ASN A 41 11.856 27.631 -23.088 1.00 12.30 H new ATOM 0 HB2 ASN A 41 9.761 26.892 -25.100 1.00 12.25 H new ATOM 0 HB3 ASN A 41 10.195 28.539 -24.689 1.00 12.25 H new ATOM 0 HD21 ASN A 41 13.703 27.761 -25.934 1.00 51.14 H new ATOM 0 HD22 ASN A 41 13.051 27.945 -24.303 1.00 51.14 H new ATOM 642 N GLY A 42 9.209 26.406 -21.845 1.00 61.12 N ATOM 643 CA GLY A 42 8.435 26.605 -20.665 1.00 5.32 C ATOM 644 C GLY A 42 6.971 26.902 -20.819 1.00 53.35 C ATOM 645 O GLY A 42 6.380 27.387 -19.854 1.00 70.53 O ATOM 0 H GLY A 42 9.159 25.473 -22.255 1.00 61.12 H new ATOM 0 HA2 GLY A 42 8.530 25.711 -20.049 1.00 5.32 H new ATOM 0 HA3 GLY A 42 8.884 27.426 -20.106 1.00 5.32 H new ATOM 649 N LYS A 43 6.337 26.689 -21.980 1.00 63.35 N ATOM 650 CA LYS A 43 4.921 26.988 -22.135 1.00 72.12 C ATOM 651 C LYS A 43 4.177 25.804 -22.817 1.00 73.14 C ATOM 652 O LYS A 43 4.218 24.654 -22.364 1.00 33.12 O ATOM 653 CB LYS A 43 4.761 28.251 -23.047 1.00 1.14 C ATOM 654 CG LYS A 43 5.524 29.487 -22.654 1.00 14.11 C ATOM 655 CD LYS A 43 4.857 30.732 -23.219 1.00 35.34 C ATOM 656 CE LYS A 43 3.482 30.935 -22.586 1.00 63.12 C ATOM 657 NZ LYS A 43 2.781 32.120 -23.099 1.00 14.52 N ATOM 0 H LYS A 43 6.785 26.313 -22.816 1.00 63.35 H new ATOM 0 HA LYS A 43 4.496 27.161 -21.146 1.00 72.12 H new ATOM 0 HB2 LYS A 43 5.061 27.977 -24.058 1.00 1.14 H new ATOM 0 HB3 LYS A 43 3.702 28.507 -23.087 1.00 1.14 H new ATOM 0 HG2 LYS A 43 5.577 29.558 -21.568 1.00 14.11 H new ATOM 0 HG3 LYS A 43 6.549 29.420 -23.019 1.00 14.11 H new ATOM 0 HD2 LYS A 43 5.483 31.604 -23.031 1.00 35.34 H new ATOM 0 HD3 LYS A 43 4.756 30.639 -24.300 1.00 35.34 H new ATOM 0 HE2 LYS A 43 2.871 30.051 -22.768 1.00 63.12 H new ATOM 0 HE3 LYS A 43 3.596 31.027 -21.506 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 1.855 32.205 -22.633 1.00 14.52 H new ATOM 0 HZ2 LYS A 43 3.347 32.970 -22.902 1.00 14.52 H new ATOM 0 HZ3 LYS A 43 2.644 32.025 -24.126 1.00 14.52 H new ATOM 671 N GLY A 44 3.492 26.226 -23.860 1.00 63.52 N ATOM 672 CA GLY A 44 2.778 25.362 -24.807 1.00 44.15 C ATOM 673 C GLY A 44 3.158 23.896 -24.967 1.00 32.24 C ATOM 674 O GLY A 44 4.293 23.541 -25.333 1.00 73.52 O ATOM 0 H GLY A 44 3.408 27.216 -24.089 1.00 63.52 H new ATOM 0 HA2 GLY A 44 1.723 25.391 -24.534 1.00 44.15 H new ATOM 0 HA3 GLY A 44 2.865 25.824 -25.790 1.00 44.15 H new ATOM 678 N GLY A 45 2.134 23.076 -24.772 1.00 71.32 N ATOM 679 CA GLY A 45 2.231 21.675 -25.057 1.00 73.02 C ATOM 680 C GLY A 45 2.795 20.831 -23.930 1.00 13.42 C ATOM 681 O GLY A 45 2.700 21.177 -22.756 1.00 2.01 O ATOM 0 H GLY A 45 1.226 23.372 -24.415 1.00 71.32 H new ATOM 0 HA2 GLY A 45 1.239 21.301 -25.310 1.00 73.02 H new ATOM 0 HA3 GLY A 45 2.857 21.541 -25.940 1.00 73.02 H new ATOM 685 N ASN A 46 3.341 19.691 -24.336 1.00 74.32 N ATOM 686 CA ASN A 46 3.900 18.788 -23.318 1.00 45.32 C ATOM 687 C ASN A 46 5.105 19.215 -22.544 1.00 12.43 C ATOM 688 O ASN A 46 6.085 19.750 -23.029 1.00 11.33 O ATOM 689 CB ASN A 46 4.057 17.331 -23.789 1.00 74.34 C ATOM 690 CG ASN A 46 2.738 16.638 -24.052 1.00 50.31 C ATOM 691 OD1 ASN A 46 1.730 16.936 -23.417 1.00 71.33 O ATOM 692 ND2 ASN A 46 2.729 15.706 -24.967 1.00 21.03 N ATOM 0 H ASN A 46 3.412 19.375 -25.303 1.00 74.32 H new ATOM 0 HA ASN A 46 3.095 18.860 -22.587 1.00 45.32 H new ATOM 0 HB2 ASN A 46 4.656 17.314 -24.700 1.00 74.34 H new ATOM 0 HB3 ASN A 46 4.609 16.771 -23.034 1.00 74.34 H new ATOM 0 HD21 ASN A 46 1.867 15.201 -25.172 1.00 21.03 H new ATOM 0 HD22 ASN A 46 3.584 15.483 -25.476 1.00 21.03 H new ATOM 699 N GLY A 47 4.980 18.815 -21.310 1.00 3.51 N ATOM 700 CA GLY A 47 5.947 19.136 -20.328 1.00 22.53 C ATOM 701 C GLY A 47 6.732 17.969 -19.880 1.00 33.11 C ATOM 702 O GLY A 47 6.931 17.776 -18.673 1.00 2.35 O ATOM 0 H GLY A 47 4.199 18.256 -20.967 1.00 3.51 H new ATOM 0 HA2 GLY A 47 6.625 19.890 -20.728 1.00 22.53 H new ATOM 0 HA3 GLY A 47 5.447 19.581 -19.468 1.00 22.53 H new ATOM 706 N ASN A 48 7.113 17.127 -20.814 1.00 63.30 N ATOM 707 CA ASN A 48 8.053 16.074 -20.482 1.00 33.21 C ATOM 708 C ASN A 48 9.384 16.741 -20.254 1.00 74.33 C ATOM 709 O ASN A 48 10.148 16.974 -21.181 1.00 14.04 O ATOM 710 CB ASN A 48 8.177 14.995 -21.563 1.00 34.03 C ATOM 711 CG ASN A 48 9.134 13.893 -21.118 1.00 61.32 C ATOM 712 OD1 ASN A 48 9.285 13.639 -19.923 1.00 75.31 O ATOM 713 ND2 ASN A 48 9.753 13.221 -22.047 1.00 74.32 N ATOM 0 H ASN A 48 6.799 17.145 -21.784 1.00 63.30 H new ATOM 0 HA ASN A 48 7.695 15.548 -19.597 1.00 33.21 H new ATOM 0 HB2 ASN A 48 7.196 14.569 -21.773 1.00 34.03 H new ATOM 0 HB3 ASN A 48 8.535 15.442 -22.490 1.00 34.03 H new ATOM 0 HD21 ASN A 48 10.383 12.461 -21.792 1.00 74.32 H new ATOM 0 HD22 ASN A 48 9.607 13.455 -23.029 1.00 74.32 H new ATOM 720 N ASN A 49 9.617 17.061 -19.024 1.00 31.25 N ATOM 721 CA ASN A 49 10.677 17.850 -18.542 1.00 73.51 C ATOM 722 C ASN A 49 11.152 17.316 -17.240 1.00 53.32 C ATOM 723 O ASN A 49 10.383 17.277 -16.269 1.00 54.22 O ATOM 724 CB ASN A 49 10.123 19.261 -18.286 1.00 14.11 C ATOM 725 CG ASN A 49 11.096 20.197 -17.594 1.00 72.13 C ATOM 726 OD1 ASN A 49 11.895 20.805 -18.211 1.00 15.23 O ATOM 727 ND2 ASN A 49 10.968 20.359 -16.295 1.00 12.12 N ATOM 0 H ASN A 49 9.008 16.742 -18.271 1.00 31.25 H new ATOM 0 HA ASN A 49 11.494 17.853 -19.263 1.00 73.51 H new ATOM 0 HB2 ASN A 49 9.828 19.701 -19.239 1.00 14.11 H new ATOM 0 HB3 ASN A 49 9.221 19.180 -17.680 1.00 14.11 H new ATOM 0 HD21 ASN A 49 11.567 21.021 -15.802 1.00 12.12 H new ATOM 0 HD22 ASN A 49 10.270 19.822 -15.780 1.00 12.12 H new ATOM 734 N PHE A 50 12.356 16.875 -17.179 1.00 44.24 N ATOM 735 CA PHE A 50 12.949 16.592 -15.927 1.00 21.13 C ATOM 736 C PHE A 50 14.092 17.581 -15.790 1.00 4.23 C ATOM 737 O PHE A 50 14.847 17.778 -16.720 1.00 45.41 O ATOM 738 CB PHE A 50 13.362 15.057 -15.769 1.00 61.33 C ATOM 739 CG PHE A 50 12.165 14.159 -15.895 1.00 44.21 C ATOM 740 CD1 PHE A 50 11.331 13.937 -14.813 1.00 74.22 C ATOM 741 CD2 PHE A 50 11.855 13.564 -17.106 1.00 44.22 C ATOM 742 CE1 PHE A 50 10.209 13.143 -14.936 1.00 22.03 C ATOM 743 CE2 PHE A 50 10.739 12.764 -17.234 1.00 45.44 C ATOM 744 CZ PHE A 50 9.913 12.556 -16.149 1.00 44.03 C ATOM 0 H PHE A 50 12.952 16.702 -17.988 1.00 44.24 H new ATOM 0 HA PHE A 50 12.248 16.721 -15.103 1.00 21.13 H new ATOM 0 HB2 PHE A 50 14.098 14.795 -16.529 1.00 61.33 H new ATOM 0 HB3 PHE A 50 13.836 14.903 -14.800 1.00 61.33 H new ATOM 0 HD1 PHE A 50 11.561 14.391 -13.860 1.00 74.22 H new ATOM 0 HD2 PHE A 50 12.495 13.728 -17.961 1.00 44.22 H new ATOM 0 HE1 PHE A 50 9.564 12.982 -14.085 1.00 22.03 H new ATOM 0 HE2 PHE A 50 10.512 12.301 -18.183 1.00 45.44 H new ATOM 0 HZ PHE A 50 9.036 11.934 -16.249 1.00 44.03 H new ATOM 754 N SER A 51 14.180 18.256 -14.684 1.00 54.44 N ATOM 755 CA SER A 51 15.106 19.364 -14.491 1.00 50.42 C ATOM 756 C SER A 51 16.195 18.972 -13.555 1.00 0.41 C ATOM 757 O SER A 51 17.063 19.765 -13.207 1.00 64.23 O ATOM 758 CB SER A 51 14.330 20.580 -13.967 1.00 63.54 C ATOM 759 OG SER A 51 13.585 20.256 -12.782 1.00 71.13 O ATOM 0 H SER A 51 13.604 18.059 -13.865 1.00 54.44 H new ATOM 0 HA SER A 51 15.571 19.627 -15.441 1.00 50.42 H new ATOM 0 HB2 SER A 51 15.025 21.391 -13.751 1.00 63.54 H new ATOM 0 HB3 SER A 51 13.650 20.940 -14.739 1.00 63.54 H new ATOM 0 HG SER A 51 13.103 21.051 -12.471 1.00 71.13 H new ATOM 765 N ARG A 52 16.149 17.760 -13.163 1.00 3.42 N ATOM 766 CA ARG A 52 17.094 17.185 -12.311 1.00 3.23 C ATOM 767 C ARG A 52 17.442 15.931 -12.966 1.00 13.24 C ATOM 768 O ARG A 52 16.554 15.147 -13.348 1.00 12.12 O ATOM 769 CB ARG A 52 16.480 16.900 -10.959 1.00 73.34 C ATOM 770 CG ARG A 52 16.080 18.119 -10.176 1.00 21.52 C ATOM 771 CD ARG A 52 15.434 17.728 -8.876 1.00 62.03 C ATOM 772 NE ARG A 52 14.795 18.859 -8.246 1.00 71.21 N ATOM 773 CZ ARG A 52 13.480 19.061 -8.277 1.00 50.41 C ATOM 774 NH1 ARG A 52 12.705 18.241 -8.985 1.00 24.21 N ATOM 775 NH2 ARG A 52 12.939 20.077 -7.616 1.00 71.51 N ATOM 0 H ARG A 52 15.412 17.114 -13.445 1.00 3.42 H new ATOM 0 HA ARG A 52 17.953 17.834 -12.142 1.00 3.23 H new ATOM 0 HB2 ARG A 52 15.600 16.272 -11.101 1.00 73.34 H new ATOM 0 HB3 ARG A 52 17.191 16.323 -10.368 1.00 73.34 H new ATOM 0 HG2 ARG A 52 16.957 18.736 -9.981 1.00 21.52 H new ATOM 0 HG3 ARG A 52 15.389 18.724 -10.763 1.00 21.52 H new ATOM 0 HD2 ARG A 52 14.697 16.945 -9.055 1.00 62.03 H new ATOM 0 HD3 ARG A 52 16.185 17.312 -8.205 1.00 62.03 H new ATOM 0 HE ARG A 52 15.379 19.535 -7.754 1.00 71.21 H new ATOM 0 HH11 ARG A 52 13.120 17.464 -9.499 1.00 24.21 H new ATOM 0 HH12 ARG A 52 11.696 18.390 -9.013 1.00 24.21 H new ATOM 0 HH21 ARG A 52 13.532 20.710 -7.079 1.00 71.51 H new ATOM 0 HH22 ARG A 52 11.930 20.225 -7.645 1.00 71.51 H new ATOM 789 N THR A 53 18.709 15.769 -13.163 1.00 33.12 N ATOM 790 CA THR A 53 19.261 14.629 -13.800 1.00 0.12 C ATOM 791 C THR A 53 18.808 13.356 -13.077 1.00 10.51 C ATOM 792 O THR A 53 18.488 12.367 -13.714 1.00 61.41 O ATOM 793 CB THR A 53 20.797 14.727 -13.819 1.00 12.53 C ATOM 794 OG1 THR A 53 21.193 15.980 -14.429 1.00 53.54 O ATOM 795 CG2 THR A 53 21.389 13.583 -14.614 1.00 52.34 C ATOM 0 H THR A 53 19.408 16.453 -12.873 1.00 33.12 H new ATOM 0 HA THR A 53 18.906 14.587 -14.830 1.00 0.12 H new ATOM 0 HB THR A 53 21.163 14.677 -12.794 1.00 12.53 H new ATOM 0 HG1 THR A 53 22.171 16.044 -14.440 1.00 53.54 H new ATOM 0 HG21 THR A 53 22.476 13.667 -14.618 1.00 52.34 H new ATOM 0 HG22 THR A 53 21.100 12.636 -14.159 1.00 52.34 H new ATOM 0 HG23 THR A 53 21.018 13.622 -15.638 1.00 52.34 H new ATOM 803 N ASN A 54 18.701 13.425 -11.750 1.00 64.14 N ATOM 804 CA ASN A 54 18.257 12.277 -10.981 1.00 43.51 C ATOM 805 C ASN A 54 16.756 12.083 -11.014 1.00 63.23 C ATOM 806 O ASN A 54 16.280 10.988 -10.737 1.00 31.50 O ATOM 807 CB ASN A 54 18.836 12.199 -9.552 1.00 4.32 C ATOM 808 CG ASN A 54 20.348 11.963 -9.524 1.00 3.51 C ATOM 809 OD1 ASN A 54 21.092 12.402 -10.411 1.00 73.53 O ATOM 810 ND2 ASN A 54 20.810 11.238 -8.544 1.00 30.22 N ATOM 0 H ASN A 54 18.914 14.255 -11.197 1.00 64.14 H new ATOM 0 HA ASN A 54 18.690 11.423 -11.502 1.00 43.51 H new ATOM 0 HB2 ASN A 54 18.610 13.126 -9.025 1.00 4.32 H new ATOM 0 HB3 ASN A 54 18.339 11.394 -9.010 1.00 4.32 H new ATOM 0 HD21 ASN A 54 21.805 11.021 -8.496 1.00 30.22 H new ATOM 0 HD22 ASN A 54 20.176 10.888 -7.825 1.00 30.22 H new ATOM 817 N ASP A 55 15.996 13.104 -11.445 1.00 12.33 N ATOM 818 CA ASP A 55 14.550 12.921 -11.595 1.00 41.41 C ATOM 819 C ASP A 55 14.255 12.058 -12.763 1.00 43.11 C ATOM 820 O ASP A 55 13.347 11.222 -12.708 1.00 14.42 O ATOM 821 CB ASP A 55 13.711 14.213 -11.740 1.00 72.44 C ATOM 822 CG ASP A 55 13.617 15.095 -10.542 1.00 41.22 C ATOM 823 OD1 ASP A 55 13.615 14.591 -9.420 1.00 1.22 O ATOM 824 OD2 ASP A 55 13.480 16.322 -10.722 1.00 31.00 O ATOM 0 H ASP A 55 16.346 14.031 -11.687 1.00 12.33 H new ATOM 0 HA ASP A 55 14.253 12.464 -10.651 1.00 41.41 H new ATOM 0 HB2 ASP A 55 14.128 14.798 -12.560 1.00 72.44 H new ATOM 0 HB3 ASP A 55 12.700 13.930 -12.033 1.00 72.44 H new ATOM 829 N CYS A 56 14.986 12.251 -13.869 1.00 42.33 N ATOM 830 CA CYS A 56 14.755 11.377 -14.969 1.00 12.51 C ATOM 831 C CYS A 56 15.222 10.018 -14.684 1.00 63.52 C ATOM 832 O CYS A 56 14.691 9.122 -15.168 1.00 52.41 O ATOM 833 CB CYS A 56 15.221 11.831 -16.340 1.00 11.21 C ATOM 834 SG CYS A 56 16.973 12.089 -16.729 1.00 11.43 S ATOM 0 H CYS A 56 15.698 12.969 -14.002 1.00 42.33 H new ATOM 0 HA CYS A 56 13.669 11.397 -15.057 1.00 12.51 H new ATOM 0 HB2 CYS A 56 14.845 11.100 -17.056 1.00 11.21 H new ATOM 0 HB3 CYS A 56 14.712 12.772 -16.548 1.00 11.21 H new ATOM 839 N ARG A 57 16.237 9.884 -13.905 1.00 71.40 N ATOM 840 CA ARG A 57 16.710 8.543 -13.480 1.00 74.31 C ATOM 841 C ARG A 57 15.599 7.718 -12.864 1.00 42.12 C ATOM 842 O ARG A 57 15.451 6.529 -13.187 1.00 62.04 O ATOM 843 CB ARG A 57 17.845 8.659 -12.495 1.00 71.35 C ATOM 844 CG ARG A 57 18.939 9.498 -13.019 1.00 14.55 C ATOM 845 CD ARG A 57 20.272 9.082 -12.468 1.00 71.50 C ATOM 846 NE ARG A 57 20.665 7.746 -12.921 1.00 63.14 N ATOM 847 CZ ARG A 57 21.917 7.282 -12.905 1.00 54.34 C ATOM 848 NH1 ARG A 57 22.914 8.070 -12.502 1.00 63.22 N ATOM 849 NH2 ARG A 57 22.169 6.038 -13.309 1.00 42.05 N ATOM 0 H ARG A 57 16.778 10.663 -13.531 1.00 71.40 H new ATOM 0 HA ARG A 57 17.058 8.036 -14.380 1.00 74.31 H new ATOM 0 HB2 ARG A 57 17.475 9.084 -11.562 1.00 71.35 H new ATOM 0 HB3 ARG A 57 18.228 7.665 -12.262 1.00 71.35 H new ATOM 0 HG2 ARG A 57 18.959 9.432 -14.107 1.00 14.55 H new ATOM 0 HG3 ARG A 57 18.750 10.541 -12.766 1.00 14.55 H new ATOM 0 HD2 ARG A 57 21.030 9.804 -12.771 1.00 71.50 H new ATOM 0 HD3 ARG A 57 20.234 9.098 -11.379 1.00 71.50 H new ATOM 0 HE ARG A 57 19.933 7.128 -13.272 1.00 63.14 H new ATOM 0 HH11 ARG A 57 22.720 9.027 -12.206 1.00 63.22 H new ATOM 0 HH12 ARG A 57 23.871 7.716 -12.490 1.00 63.22 H new ATOM 0 HH21 ARG A 57 21.406 5.442 -13.630 1.00 42.05 H new ATOM 0 HH22 ARG A 57 23.125 5.682 -13.298 1.00 42.05 H new ATOM 863 N GLN A 58 14.864 8.345 -11.952 1.00 24.24 N ATOM 864 CA GLN A 58 13.700 7.728 -11.280 1.00 33.33 C ATOM 865 C GLN A 58 12.808 7.097 -12.276 1.00 41.22 C ATOM 866 O GLN A 58 12.558 5.889 -12.262 1.00 31.11 O ATOM 867 CB GLN A 58 12.902 8.776 -10.533 1.00 61.24 C ATOM 868 CG GLN A 58 13.687 9.591 -9.497 1.00 63.32 C ATOM 869 CD GLN A 58 14.017 8.853 -8.191 1.00 21.22 C ATOM 870 OE1 GLN A 58 14.121 9.480 -7.140 1.00 64.41 O ATOM 871 NE2 GLN A 58 14.174 7.552 -8.226 1.00 1.31 N ATOM 0 H GLN A 58 15.051 9.301 -11.649 1.00 24.24 H new ATOM 0 HA GLN A 58 14.077 6.979 -10.583 1.00 33.33 H new ATOM 0 HB2 GLN A 58 12.470 9.464 -11.259 1.00 61.24 H new ATOM 0 HB3 GLN A 58 12.071 8.283 -10.028 1.00 61.24 H new ATOM 0 HG2 GLN A 58 14.620 9.923 -9.952 1.00 63.32 H new ATOM 0 HG3 GLN A 58 13.114 10.486 -9.254 1.00 63.32 H new ATOM 0 HE21 GLN A 58 14.083 7.051 -9.110 1.00 1.31 H new ATOM 0 HE22 GLN A 58 14.387 7.041 -7.369 1.00 1.31 H new ATOM 880 N THR A 59 12.315 7.946 -13.058 1.00 74.15 N ATOM 881 CA THR A 59 11.606 7.740 -14.199 1.00 30.33 C ATOM 882 C THR A 59 12.301 6.668 -15.057 1.00 12.10 C ATOM 883 O THR A 59 11.997 5.468 -14.976 1.00 23.33 O ATOM 884 CB THR A 59 11.771 9.180 -14.774 1.00 73.54 C ATOM 885 OG1 THR A 59 11.137 10.139 -13.920 1.00 41.43 O ATOM 886 CG2 THR A 59 11.435 9.412 -16.190 1.00 2.31 C ATOM 0 H THR A 59 12.425 8.943 -12.870 1.00 74.15 H new ATOM 0 HA THR A 59 10.580 7.380 -14.117 1.00 30.33 H new ATOM 0 HB THR A 59 12.853 9.314 -14.780 1.00 73.54 H new ATOM 0 HG1 THR A 59 11.820 10.674 -13.465 1.00 41.43 H new ATOM 0 HG21 THR A 59 11.602 10.460 -16.437 1.00 2.31 H new ATOM 0 HG22 THR A 59 12.066 8.786 -16.821 1.00 2.31 H new ATOM 0 HG23 THR A 59 10.388 9.162 -16.361 1.00 2.31 H new ATOM 894 N CYS A 60 13.265 7.088 -15.721 1.00 63.11 N ATOM 895 CA CYS A 60 13.834 6.377 -16.833 1.00 51.13 C ATOM 896 C CYS A 60 14.937 7.184 -17.399 1.00 23.52 C ATOM 897 O CYS A 60 14.685 8.269 -17.918 1.00 21.02 O ATOM 898 CB CYS A 60 12.834 6.220 -18.027 1.00 61.24 C ATOM 899 SG CYS A 60 11.192 5.470 -17.766 1.00 24.13 S ATOM 0 H CYS A 60 13.729 7.975 -15.526 1.00 63.11 H new ATOM 0 HA CYS A 60 14.134 5.402 -16.448 1.00 51.13 H new ATOM 0 HB2 CYS A 60 12.671 7.214 -18.443 1.00 61.24 H new ATOM 0 HB3 CYS A 60 13.338 5.632 -18.794 1.00 61.24 H new