USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 575 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 33 SER OG : rot 180:sc= 0.734 USER MOD Set 1.2: A 36 THR OG1 : rot 93:sc= 0.813 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -79:sc= -1.43 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -154:sc= -0.462 USER MOD Single : A 19 THR OG1 : rot -139:sc= -0.854 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0576 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -8.55! C(o=-8.5!,f=-8.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -60:sc= 1.26 USER MOD Single : A 49 ASN : amide:sc= -0.431 K(o=-0.43,f=-3) USER MOD Single : A 54 ASN : amide:sc=-0.00298 X(o=-0.003,f=-0.085) USER MOD Single : A 57 LYS NZ :NH3+ 167:sc=-0.00969 (180deg=-0.13) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -6.54! C(o=-6.5!,f=-9.9!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 68:sc= 0.0715 USER MOD Single : A 68 HIS : no HD1:sc= -0.0481 X(o=-0.048,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 6 7.815 6.001 -4.713 1.00 63.03 N ATOM 88 CA LYS A 6 9.240 5.776 -4.930 1.00 15.00 C ATOM 89 C LYS A 6 9.792 6.747 -5.969 1.00 73.41 C ATOM 90 O LYS A 6 10.981 7.061 -5.967 1.00 3.14 O ATOM 91 CB LYS A 6 9.486 4.335 -5.381 1.00 24.41 C ATOM 92 CG LYS A 6 9.473 4.159 -6.890 1.00 23.45 C ATOM 93 CD LYS A 6 10.863 4.320 -7.482 1.00 23.42 C ATOM 94 CE LYS A 6 11.230 3.142 -8.372 1.00 31.45 C ATOM 95 NZ LYS A 6 10.534 3.202 -9.687 1.00 4.51 N ATOM 0 HA LYS A 6 9.758 5.948 -3.987 1.00 15.00 H new ATOM 0 HB2 LYS A 6 10.448 4.001 -4.993 1.00 24.41 H new ATOM 0 HB3 LYS A 6 8.724 3.691 -4.942 1.00 24.41 H new ATOM 0 HG2 LYS A 6 9.083 3.172 -7.139 1.00 23.45 H new ATOM 0 HG3 LYS A 6 8.799 4.890 -7.337 1.00 23.45 H new ATOM 0 HD2 LYS A 6 10.908 5.243 -8.061 1.00 23.42 H new ATOM 0 HD3 LYS A 6 11.594 4.412 -6.678 1.00 23.42 H new ATOM 0 HE2 LYS A 6 12.308 3.130 -8.532 1.00 31.45 H new ATOM 0 HE3 LYS A 6 10.972 2.211 -7.867 1.00 31.45 H new ATOM 0 HZ1 LYS A 6 10.811 2.382 -10.264 1.00 4.51 H new ATOM 0 HZ2 LYS A 6 9.505 3.188 -9.536 1.00 4.51 H new ATOM 0 HZ3 LYS A 6 10.800 4.078 -10.181 1.00 4.51 H new ATOM 109 N GLU A 7 8.919 7.218 -6.855 1.00 4.14 N ATOM 110 CA GLU A 7 9.321 8.154 -7.898 1.00 64.43 C ATOM 111 C GLU A 7 9.324 9.586 -7.373 1.00 41.42 C ATOM 112 O GLU A 7 10.023 10.451 -7.902 1.00 3.05 O ATOM 113 CB GLU A 7 8.384 8.042 -9.103 1.00 2.03 C ATOM 114 CG GLU A 7 8.172 6.615 -9.578 1.00 73.34 C ATOM 115 CD GLU A 7 7.702 6.544 -11.018 1.00 72.54 C ATOM 116 OE1 GLU A 7 6.567 6.984 -11.295 1.00 75.30 O ATOM 117 OE2 GLU A 7 8.470 6.047 -11.869 1.00 4.53 O ATOM 0 H GLU A 7 7.931 6.967 -6.871 1.00 4.14 H new ATOM 0 HA GLU A 7 10.334 7.898 -8.209 1.00 64.43 H new ATOM 0 HB2 GLU A 7 7.419 8.477 -8.844 1.00 2.03 H new ATOM 0 HB3 GLU A 7 8.790 8.633 -9.924 1.00 2.03 H new ATOM 0 HG2 GLU A 7 9.104 6.060 -9.476 1.00 73.34 H new ATOM 0 HG3 GLU A 7 7.439 6.127 -8.936 1.00 73.34 H new ATOM 124 N ARG A 8 8.537 9.830 -6.330 1.00 72.44 N ATOM 125 CA ARG A 8 8.447 11.157 -5.734 1.00 54.15 C ATOM 126 C ARG A 8 9.828 11.669 -5.335 1.00 74.14 C ATOM 127 O ARG A 8 10.095 12.870 -5.385 1.00 23.04 O ATOM 128 CB ARG A 8 7.528 11.129 -4.511 1.00 63.13 C ATOM 129 CG ARG A 8 6.830 12.452 -4.243 1.00 5.31 C ATOM 130 CD ARG A 8 6.263 12.507 -2.833 1.00 41.11 C ATOM 131 NE ARG A 8 4.822 12.274 -2.814 1.00 34.22 N ATOM 132 CZ ARG A 8 3.930 13.146 -3.271 1.00 72.21 C ATOM 133 NH1 ARG A 8 4.330 14.302 -3.781 1.00 52.41 N ATOM 134 NH2 ARG A 8 2.635 12.861 -3.219 1.00 52.22 N ATOM 0 H ARG A 8 7.952 9.125 -5.880 1.00 72.44 H new ATOM 0 HA ARG A 8 8.029 11.835 -6.478 1.00 54.15 H new ATOM 0 HB2 ARG A 8 6.776 10.353 -4.650 1.00 63.13 H new ATOM 0 HB3 ARG A 8 8.113 10.852 -3.634 1.00 63.13 H new ATOM 0 HG2 ARG A 8 7.534 13.272 -4.385 1.00 5.31 H new ATOM 0 HG3 ARG A 8 6.026 12.593 -4.965 1.00 5.31 H new ATOM 0 HD2 ARG A 8 6.759 11.760 -2.213 1.00 41.11 H new ATOM 0 HD3 ARG A 8 6.479 13.481 -2.393 1.00 41.11 H new ATOM 0 HE ARG A 8 4.481 11.393 -2.429 1.00 34.22 H new ATOM 0 HH11 ARG A 8 5.325 14.524 -3.823 1.00 52.41 H new ATOM 0 HH12 ARG A 8 3.643 14.970 -4.131 1.00 52.41 H new ATOM 0 HH21 ARG A 8 2.324 11.972 -2.828 1.00 52.22 H new ATOM 0 HH22 ARG A 8 1.951 13.531 -3.570 1.00 52.22 H new ATOM 148 N THR A 9 10.702 10.749 -4.939 1.00 42.31 N ATOM 149 CA THR A 9 12.054 11.107 -4.530 1.00 25.12 C ATOM 150 C THR A 9 12.971 11.265 -5.738 1.00 32.32 C ATOM 151 O THR A 9 13.931 12.035 -5.704 1.00 31.04 O ATOM 152 CB THR A 9 12.652 10.051 -3.581 1.00 30.20 C ATOM 153 OG1 THR A 9 14.024 10.357 -3.309 1.00 62.33 O ATOM 154 CG2 THR A 9 12.548 8.659 -4.186 1.00 34.11 C ATOM 0 H THR A 9 10.498 9.751 -4.893 1.00 42.31 H new ATOM 0 HA THR A 9 11.983 12.059 -4.004 1.00 25.12 H new ATOM 0 HB THR A 9 12.085 10.069 -2.650 1.00 30.20 H new ATOM 0 HG1 THR A 9 14.579 10.069 -4.064 1.00 62.33 H new ATOM 0 HG21 THR A 9 12.977 7.930 -3.498 1.00 34.11 H new ATOM 0 HG22 THR A 9 11.500 8.417 -4.364 1.00 34.11 H new ATOM 0 HG23 THR A 9 13.093 8.631 -5.130 1.00 34.11 H new ATOM 162 N ILE A 10 12.668 10.532 -6.804 1.00 23.32 N ATOM 163 CA ILE A 10 13.465 10.592 -8.023 1.00 54.51 C ATOM 164 C ILE A 10 13.686 12.035 -8.464 1.00 2.54 C ATOM 165 O ILE A 10 14.805 12.432 -8.791 1.00 71.34 O ATOM 166 CB ILE A 10 12.796 9.814 -9.172 1.00 21.14 C ATOM 167 CG1 ILE A 10 12.795 8.314 -8.868 1.00 3.44 C ATOM 168 CG2 ILE A 10 13.509 10.093 -10.486 1.00 63.02 C ATOM 169 CD1 ILE A 10 14.182 7.719 -8.758 1.00 14.33 C ATOM 0 H ILE A 10 11.877 9.890 -6.848 1.00 23.32 H new ATOM 0 HA ILE A 10 14.426 10.132 -7.794 1.00 54.51 H new ATOM 0 HB ILE A 10 11.763 10.148 -9.264 1.00 21.14 H new ATOM 0 HG12 ILE A 10 12.259 8.141 -7.935 1.00 3.44 H new ATOM 0 HG13 ILE A 10 12.246 7.793 -9.652 1.00 3.44 H new ATOM 0 HG21 ILE A 10 13.025 9.536 -11.288 1.00 63.02 H new ATOM 0 HG22 ILE A 10 13.463 11.160 -10.706 1.00 63.02 H new ATOM 0 HG23 ILE A 10 14.551 9.783 -10.407 1.00 63.02 H new ATOM 0 HD11 ILE A 10 14.105 6.654 -8.541 1.00 14.33 H new ATOM 0 HD12 ILE A 10 14.714 7.860 -9.699 1.00 14.33 H new ATOM 0 HD13 ILE A 10 14.728 8.214 -7.955 1.00 14.33 H new ATOM 181 N LYS A 11 12.613 12.819 -8.467 1.00 72.44 N ATOM 182 CA LYS A 11 12.689 14.220 -8.864 1.00 74.42 C ATOM 183 C LYS A 11 13.670 14.983 -7.981 1.00 25.20 C ATOM 184 O LYS A 11 14.428 15.825 -8.463 1.00 50.25 O ATOM 185 CB LYS A 11 11.305 14.869 -8.786 1.00 31.31 C ATOM 186 CG LYS A 11 10.208 14.043 -9.437 1.00 3.53 C ATOM 187 CD LYS A 11 8.893 14.802 -9.483 1.00 54.23 C ATOM 188 CE LYS A 11 7.733 13.885 -9.841 1.00 51.53 C ATOM 189 NZ LYS A 11 7.705 13.568 -11.296 1.00 3.20 N ATOM 0 H LYS A 11 11.680 12.507 -8.199 1.00 72.44 H new ATOM 0 HA LYS A 11 13.046 14.261 -9.893 1.00 74.42 H new ATOM 0 HB2 LYS A 11 11.050 15.036 -7.740 1.00 31.31 H new ATOM 0 HB3 LYS A 11 11.344 15.847 -9.265 1.00 31.31 H new ATOM 0 HG2 LYS A 11 10.508 13.771 -10.449 1.00 3.53 H new ATOM 0 HG3 LYS A 11 10.074 13.114 -8.884 1.00 3.53 H new ATOM 0 HD2 LYS A 11 8.706 15.267 -8.515 1.00 54.23 H new ATOM 0 HD3 LYS A 11 8.961 15.607 -10.215 1.00 54.23 H new ATOM 0 HE2 LYS A 11 7.811 12.960 -9.269 1.00 51.53 H new ATOM 0 HE3 LYS A 11 6.794 14.358 -9.554 1.00 51.53 H new ATOM 0 HZ1 LYS A 11 6.900 12.941 -11.499 1.00 3.20 H new ATOM 0 HZ2 LYS A 11 7.605 14.448 -11.841 1.00 3.20 H new ATOM 0 HZ3 LYS A 11 8.590 13.093 -11.565 1.00 3.20 H new ATOM 203 N ILE A 12 13.653 14.682 -6.687 1.00 33.30 N ATOM 204 CA ILE A 12 14.543 15.338 -5.738 1.00 44.01 C ATOM 205 C ILE A 12 15.995 14.939 -5.981 1.00 1.43 C ATOM 206 O ILE A 12 16.854 15.791 -6.208 1.00 31.42 O ATOM 207 CB ILE A 12 14.166 14.999 -4.284 1.00 72.40 C ATOM 208 CG1 ILE A 12 12.698 15.343 -4.022 1.00 22.23 C ATOM 209 CG2 ILE A 12 15.072 15.743 -3.314 1.00 75.42 C ATOM 210 CD1 ILE A 12 12.234 14.985 -2.627 1.00 74.13 C ATOM 0 H ILE A 12 13.032 13.987 -6.272 1.00 33.30 H new ATOM 0 HA ILE A 12 14.432 16.411 -5.892 1.00 44.01 H new ATOM 0 HB ILE A 12 14.302 13.929 -4.129 1.00 72.40 H new ATOM 0 HG12 ILE A 12 12.549 16.411 -4.183 1.00 22.23 H new ATOM 0 HG13 ILE A 12 12.075 14.821 -4.749 1.00 22.23 H new ATOM 0 HG21 ILE A 12 14.793 15.493 -2.291 1.00 75.42 H new ATOM 0 HG22 ILE A 12 16.108 15.453 -3.489 1.00 75.42 H new ATOM 0 HG23 ILE A 12 14.965 16.817 -3.467 1.00 75.42 H new ATOM 0 HD11 ILE A 12 11.185 15.257 -2.512 1.00 74.13 H new ATOM 0 HD12 ILE A 12 12.351 13.913 -2.469 1.00 74.13 H new ATOM 0 HD13 ILE A 12 12.832 15.527 -1.894 1.00 74.13 H new ATOM 222 N GLY A 13 16.262 13.638 -5.933 1.00 31.34 N ATOM 223 CA GLY A 13 17.611 13.148 -6.151 1.00 14.22 C ATOM 224 C GLY A 13 18.187 13.608 -7.475 1.00 71.44 C ATOM 225 O GLY A 13 19.399 13.779 -7.608 1.00 71.11 O ATOM 0 H GLY A 13 15.568 12.914 -5.747 1.00 31.34 H new ATOM 0 HA2 GLY A 13 18.254 13.490 -5.340 1.00 14.22 H new ATOM 0 HA3 GLY A 13 17.608 12.058 -6.118 1.00 14.22 H new ATOM 229 N LYS A 14 17.317 13.807 -8.460 1.00 22.50 N ATOM 230 CA LYS A 14 17.745 14.248 -9.782 1.00 2.30 C ATOM 231 C LYS A 14 17.847 15.769 -9.841 1.00 5.13 C ATOM 232 O LYS A 14 18.587 16.320 -10.657 1.00 11.14 O ATOM 233 CB LYS A 14 16.768 13.751 -10.850 1.00 24.43 C ATOM 234 CG LYS A 14 16.695 12.237 -10.948 1.00 74.33 C ATOM 235 CD LYS A 14 17.462 11.718 -12.153 1.00 53.32 C ATOM 236 CE LYS A 14 17.047 10.299 -12.509 1.00 64.21 C ATOM 237 NZ LYS A 14 16.253 10.252 -13.768 1.00 63.10 N ATOM 0 H LYS A 14 16.311 13.670 -8.367 1.00 22.50 H new ATOM 0 HA LYS A 14 18.731 13.826 -9.976 1.00 2.30 H new ATOM 0 HB2 LYS A 14 15.774 14.141 -10.631 1.00 24.43 H new ATOM 0 HB3 LYS A 14 17.064 14.156 -11.818 1.00 24.43 H new ATOM 0 HG2 LYS A 14 17.100 11.793 -10.039 1.00 74.33 H new ATOM 0 HG3 LYS A 14 15.653 11.926 -11.018 1.00 74.33 H new ATOM 0 HD2 LYS A 14 17.288 12.374 -13.006 1.00 53.32 H new ATOM 0 HD3 LYS A 14 18.531 11.744 -11.944 1.00 53.32 H new ATOM 0 HE2 LYS A 14 17.936 9.677 -12.617 1.00 64.21 H new ATOM 0 HE3 LYS A 14 16.460 9.877 -11.693 1.00 64.21 H new ATOM 0 HZ1 LYS A 14 15.990 9.268 -13.976 1.00 63.10 H new ATOM 0 HZ2 LYS A 14 15.392 10.825 -13.657 1.00 63.10 H new ATOM 0 HZ3 LYS A 14 16.822 10.631 -14.552 1.00 63.10 H new ATOM 251 N TYR A 15 17.102 16.441 -8.971 1.00 5.55 N ATOM 252 CA TYR A 15 17.109 17.899 -8.924 1.00 71.24 C ATOM 253 C TYR A 15 18.308 18.414 -8.134 1.00 30.51 C ATOM 254 O TYR A 15 18.957 19.382 -8.530 1.00 64.33 O ATOM 255 CB TYR A 15 15.812 18.416 -8.300 1.00 20.03 C ATOM 256 CG TYR A 15 15.684 19.922 -8.329 1.00 43.31 C ATOM 257 CD1 TYR A 15 16.284 20.709 -7.353 1.00 72.11 C ATOM 258 CD2 TYR A 15 14.964 20.559 -9.332 1.00 33.20 C ATOM 259 CE1 TYR A 15 16.169 22.086 -7.375 1.00 64.54 C ATOM 260 CE2 TYR A 15 14.845 21.935 -9.363 1.00 62.20 C ATOM 261 CZ TYR A 15 15.450 22.694 -8.383 1.00 35.34 C ATOM 262 OH TYR A 15 15.333 24.065 -8.409 1.00 73.52 O ATOM 0 H TYR A 15 16.485 16.000 -8.289 1.00 5.55 H new ATOM 0 HA TYR A 15 17.185 18.269 -9.946 1.00 71.24 H new ATOM 0 HB2 TYR A 15 14.965 17.978 -8.828 1.00 20.03 H new ATOM 0 HB3 TYR A 15 15.755 18.075 -7.266 1.00 20.03 H new ATOM 0 HD1 TYR A 15 16.850 20.236 -6.564 1.00 72.11 H new ATOM 0 HD2 TYR A 15 14.489 19.968 -10.101 1.00 33.20 H new ATOM 0 HE1 TYR A 15 16.639 22.683 -6.607 1.00 64.54 H new ATOM 0 HE2 TYR A 15 14.281 22.414 -10.150 1.00 62.20 H new ATOM 0 HH TYR A 15 14.510 24.314 -8.879 1.00 73.52 H new ATOM 272 N ILE A 16 18.595 17.758 -7.014 1.00 43.42 N ATOM 273 CA ILE A 16 19.717 18.148 -6.168 1.00 73.43 C ATOM 274 C ILE A 16 21.000 18.277 -6.982 1.00 10.31 C ATOM 275 O ILE A 16 21.832 19.144 -6.715 1.00 3.21 O ATOM 276 CB ILE A 16 19.943 17.133 -5.032 1.00 2.43 C ATOM 277 CG1 ILE A 16 20.448 15.805 -5.598 1.00 22.45 C ATOM 278 CG2 ILE A 16 18.659 16.926 -4.244 1.00 35.35 C ATOM 279 CD1 ILE A 16 21.957 15.705 -5.651 1.00 33.24 C ATOM 0 H ILE A 16 18.067 16.955 -6.672 1.00 43.42 H new ATOM 0 HA ILE A 16 19.465 19.116 -5.735 1.00 73.43 H new ATOM 0 HB ILE A 16 20.701 17.529 -4.356 1.00 2.43 H new ATOM 0 HG12 ILE A 16 20.059 14.989 -4.989 1.00 22.45 H new ATOM 0 HG13 ILE A 16 20.048 15.672 -6.603 1.00 22.45 H new ATOM 0 HG21 ILE A 16 18.835 16.206 -3.445 1.00 35.35 H new ATOM 0 HG22 ILE A 16 18.339 17.875 -3.814 1.00 35.35 H new ATOM 0 HG23 ILE A 16 17.881 16.548 -4.908 1.00 35.35 H new ATOM 0 HD11 ILE A 16 22.243 14.737 -6.063 1.00 33.24 H new ATOM 0 HD12 ILE A 16 22.352 16.500 -6.283 1.00 33.24 H new ATOM 0 HD13 ILE A 16 22.364 15.806 -4.645 1.00 33.24 H new ATOM 291 N VAL A 17 21.153 17.410 -7.978 1.00 0.13 N ATOM 292 CA VAL A 17 22.334 17.429 -8.833 1.00 55.13 C ATOM 293 C VAL A 17 22.154 18.399 -9.996 1.00 70.51 C ATOM 294 O VAL A 17 23.124 18.960 -10.504 1.00 21.22 O ATOM 295 CB VAL A 17 22.645 16.028 -9.391 1.00 71.51 C ATOM 296 CG1 VAL A 17 21.574 15.597 -10.382 1.00 2.00 C ATOM 297 CG2 VAL A 17 24.022 16.006 -10.038 1.00 75.11 C ATOM 0 H VAL A 17 20.474 16.686 -8.213 1.00 0.13 H new ATOM 0 HA VAL A 17 23.168 17.759 -8.214 1.00 55.13 H new ATOM 0 HB VAL A 17 22.646 15.319 -8.563 1.00 71.51 H new ATOM 0 HG11 VAL A 17 21.811 14.605 -10.765 1.00 2.00 H new ATOM 0 HG12 VAL A 17 20.605 15.571 -9.883 1.00 2.00 H new ATOM 0 HG13 VAL A 17 21.537 16.306 -11.209 1.00 2.00 H new ATOM 0 HG21 VAL A 17 24.225 15.008 -10.427 1.00 75.11 H new ATOM 0 HG22 VAL A 17 24.052 16.727 -10.855 1.00 75.11 H new ATOM 0 HG23 VAL A 17 24.777 16.267 -9.296 1.00 75.11 H new ATOM 307 N GLU A 18 20.906 18.590 -10.412 1.00 41.33 N ATOM 308 CA GLU A 18 20.600 19.492 -11.516 1.00 50.44 C ATOM 309 C GLU A 18 20.894 20.940 -11.134 1.00 2.03 C ATOM 310 O GLU A 18 21.277 21.752 -11.977 1.00 13.33 O ATOM 311 CB GLU A 18 19.133 19.350 -11.929 1.00 3.34 C ATOM 312 CG GLU A 18 18.943 19.048 -13.405 1.00 73.43 C ATOM 313 CD GLU A 18 17.664 18.282 -13.684 1.00 32.25 C ATOM 314 OE1 GLU A 18 16.573 18.870 -13.528 1.00 25.05 O ATOM 315 OE2 GLU A 18 17.754 17.094 -14.058 1.00 20.42 O ATOM 0 H GLU A 18 20.092 18.133 -10.002 1.00 41.33 H new ATOM 0 HA GLU A 18 21.235 19.221 -12.359 1.00 50.44 H new ATOM 0 HB2 GLU A 18 18.674 18.554 -11.342 1.00 3.34 H new ATOM 0 HB3 GLU A 18 18.605 20.271 -11.684 1.00 3.34 H new ATOM 0 HG2 GLU A 18 18.931 19.983 -13.965 1.00 73.43 H new ATOM 0 HG3 GLU A 18 19.794 18.471 -13.766 1.00 73.43 H new ATOM 322 N THR A 19 20.712 21.257 -9.855 1.00 64.24 N ATOM 323 CA THR A 19 20.956 22.606 -9.360 1.00 60.32 C ATOM 324 C THR A 19 22.156 22.638 -8.420 1.00 72.03 C ATOM 325 O THR A 19 22.745 23.693 -8.185 1.00 22.02 O ATOM 326 CB THR A 19 19.725 23.164 -8.622 1.00 12.01 C ATOM 327 OG1 THR A 19 19.591 22.531 -7.344 1.00 50.24 O ATOM 328 CG2 THR A 19 18.459 22.945 -9.437 1.00 64.52 C ATOM 0 H THR A 19 20.396 20.597 -9.144 1.00 64.24 H new ATOM 0 HA THR A 19 21.163 23.230 -10.230 1.00 60.32 H new ATOM 0 HB THR A 19 19.868 24.236 -8.483 1.00 12.01 H new ATOM 0 HG1 THR A 19 18.645 22.340 -7.171 1.00 50.24 H new ATOM 0 HG21 THR A 19 17.603 23.347 -8.895 1.00 64.52 H new ATOM 0 HG22 THR A 19 18.552 23.453 -10.397 1.00 64.52 H new ATOM 0 HG23 THR A 19 18.314 21.878 -9.604 1.00 64.52 H new ATOM 336 N LYS A 20 22.514 21.476 -7.886 1.00 31.45 N ATOM 337 CA LYS A 20 23.645 21.369 -6.972 1.00 44.31 C ATOM 338 C LYS A 20 23.387 22.157 -5.692 1.00 0.22 C ATOM 339 O LYS A 20 24.321 22.606 -5.028 1.00 3.45 O ATOM 340 CB LYS A 20 24.922 21.877 -7.647 1.00 74.12 C ATOM 341 CG LYS A 20 25.146 21.302 -9.035 1.00 33.31 C ATOM 342 CD LYS A 20 25.437 19.811 -8.980 1.00 44.44 C ATOM 343 CE LYS A 20 26.731 19.524 -8.234 1.00 31.41 C ATOM 344 NZ LYS A 20 27.713 18.798 -9.086 1.00 5.20 N ATOM 0 H LYS A 20 22.037 20.594 -8.071 1.00 31.45 H new ATOM 0 HA LYS A 20 23.771 20.318 -6.712 1.00 44.31 H new ATOM 0 HB2 LYS A 20 24.879 22.964 -7.716 1.00 74.12 H new ATOM 0 HB3 LYS A 20 25.778 21.631 -7.018 1.00 74.12 H new ATOM 0 HG2 LYS A 20 24.264 21.479 -9.650 1.00 33.31 H new ATOM 0 HG3 LYS A 20 25.978 21.819 -9.514 1.00 33.31 H new ATOM 0 HD2 LYS A 20 24.611 19.296 -8.490 1.00 44.44 H new ATOM 0 HD3 LYS A 20 25.504 19.414 -9.993 1.00 44.44 H new ATOM 0 HE2 LYS A 20 27.169 20.462 -7.893 1.00 31.41 H new ATOM 0 HE3 LYS A 20 26.514 18.932 -7.345 1.00 31.41 H new ATOM 0 HZ1 LYS A 20 28.581 18.621 -8.541 1.00 5.20 H new ATOM 0 HZ2 LYS A 20 27.305 17.891 -9.391 1.00 5.20 H new ATOM 0 HZ3 LYS A 20 27.940 19.374 -9.922 1.00 5.20 H new ATOM 358 N LYS A 21 22.114 22.320 -5.350 1.00 15.51 N ATOM 359 CA LYS A 21 21.731 23.051 -4.148 1.00 3.54 C ATOM 360 C LYS A 21 21.668 22.120 -2.941 1.00 61.14 C ATOM 361 O LYS A 21 21.998 20.937 -3.039 1.00 15.33 O ATOM 362 CB LYS A 21 20.377 23.734 -4.350 1.00 35.11 C ATOM 363 CG LYS A 21 20.478 25.232 -4.582 1.00 24.52 C ATOM 364 CD LYS A 21 20.193 25.592 -6.030 1.00 42.21 C ATOM 365 CE LYS A 21 19.123 26.668 -6.136 1.00 42.02 C ATOM 366 NZ LYS A 21 19.704 28.037 -6.060 1.00 11.20 N ATOM 0 H LYS A 21 21.329 21.955 -5.889 1.00 15.51 H new ATOM 0 HA LYS A 21 22.489 23.811 -3.959 1.00 3.54 H new ATOM 0 HB2 LYS A 21 19.873 23.277 -5.201 1.00 35.11 H new ATOM 0 HB3 LYS A 21 19.754 23.552 -3.474 1.00 35.11 H new ATOM 0 HG2 LYS A 21 19.773 25.750 -3.932 1.00 24.52 H new ATOM 0 HG3 LYS A 21 21.476 25.577 -4.310 1.00 24.52 H new ATOM 0 HD2 LYS A 21 21.109 25.940 -6.507 1.00 42.21 H new ATOM 0 HD3 LYS A 21 19.871 24.702 -6.571 1.00 42.21 H new ATOM 0 HE2 LYS A 21 18.585 26.554 -7.077 1.00 42.02 H new ATOM 0 HE3 LYS A 21 18.396 26.537 -5.335 1.00 42.02 H new ATOM 0 HZ1 LYS A 21 18.943 28.742 -6.136 1.00 11.20 H new ATOM 0 HZ2 LYS A 21 20.196 28.155 -5.151 1.00 11.20 H new ATOM 0 HZ3 LYS A 21 20.379 28.171 -6.839 1.00 11.20 H new ATOM 380 N THR A 22 21.241 22.660 -1.804 1.00 22.21 N ATOM 381 CA THR A 22 21.134 21.877 -0.579 1.00 43.12 C ATOM 382 C THR A 22 19.709 21.381 -0.366 1.00 73.15 C ATOM 383 O THR A 22 18.760 21.928 -0.928 1.00 13.40 O ATOM 384 CB THR A 22 21.570 22.696 0.651 1.00 74.04 C ATOM 385 OG1 THR A 22 20.566 23.664 0.975 1.00 35.12 O ATOM 386 CG2 THR A 22 22.894 23.399 0.392 1.00 72.32 C ATOM 0 H THR A 22 20.964 23.637 -1.706 1.00 22.21 H new ATOM 0 HA THR A 22 21.800 21.022 -0.692 1.00 43.12 H new ATOM 0 HB THR A 22 21.699 22.011 1.489 1.00 74.04 H new ATOM 0 HG1 THR A 22 20.849 24.179 1.759 1.00 35.12 H new ATOM 0 HG21 THR A 22 23.181 23.971 1.274 1.00 72.32 H new ATOM 0 HG22 THR A 22 23.663 22.658 0.174 1.00 72.32 H new ATOM 0 HG23 THR A 22 22.788 24.073 -0.458 1.00 72.32 H new ATOM 394 N VAL A 23 19.564 20.341 0.449 1.00 64.13 N ATOM 395 CA VAL A 23 18.253 19.772 0.737 1.00 25.24 C ATOM 396 C VAL A 23 17.275 20.849 1.191 1.00 33.12 C ATOM 397 O VAL A 23 16.067 20.733 0.981 1.00 42.43 O ATOM 398 CB VAL A 23 18.341 18.683 1.823 1.00 60.30 C ATOM 399 CG1 VAL A 23 18.928 17.402 1.249 1.00 43.40 C ATOM 400 CG2 VAL A 23 19.164 19.174 3.004 1.00 31.34 C ATOM 0 H VAL A 23 20.339 19.875 0.922 1.00 64.13 H new ATOM 0 HA VAL A 23 17.891 19.324 -0.188 1.00 25.24 H new ATOM 0 HB VAL A 23 17.333 18.465 2.177 1.00 60.30 H new ATOM 0 HG11 VAL A 23 18.982 16.644 2.031 1.00 43.40 H new ATOM 0 HG12 VAL A 23 18.294 17.042 0.439 1.00 43.40 H new ATOM 0 HG13 VAL A 23 19.929 17.600 0.866 1.00 43.40 H new ATOM 0 HG21 VAL A 23 19.216 18.392 3.762 1.00 31.34 H new ATOM 0 HG22 VAL A 23 20.171 19.421 2.668 1.00 31.34 H new ATOM 0 HG23 VAL A 23 18.696 20.061 3.430 1.00 31.34 H new ATOM 410 N ARG A 24 17.804 21.897 1.815 1.00 73.42 N ATOM 411 CA ARG A 24 16.976 22.995 2.299 1.00 25.15 C ATOM 412 C ARG A 24 16.361 23.766 1.136 1.00 53.32 C ATOM 413 O ARG A 24 15.221 24.226 1.215 1.00 5.14 O ATOM 414 CB ARG A 24 17.806 23.941 3.170 1.00 31.41 C ATOM 415 CG ARG A 24 16.986 25.037 3.831 1.00 60.41 C ATOM 416 CD ARG A 24 16.851 26.253 2.928 1.00 62.30 C ATOM 417 NE ARG A 24 16.826 27.499 3.689 1.00 50.14 N ATOM 418 CZ ARG A 24 17.903 28.042 4.245 1.00 11.41 C ATOM 419 NH1 ARG A 24 19.084 27.452 4.126 1.00 41.01 N ATOM 420 NH2 ARG A 24 17.800 29.179 4.922 1.00 34.00 N ATOM 0 H ARG A 24 18.801 22.008 1.997 1.00 73.42 H new ATOM 0 HA ARG A 24 16.170 22.572 2.898 1.00 25.15 H new ATOM 0 HB2 ARG A 24 18.311 23.361 3.942 1.00 31.41 H new ATOM 0 HB3 ARG A 24 18.582 24.399 2.557 1.00 31.41 H new ATOM 0 HG2 ARG A 24 15.996 24.654 4.077 1.00 60.41 H new ATOM 0 HG3 ARG A 24 17.457 25.330 4.769 1.00 60.41 H new ATOM 0 HD2 ARG A 24 17.682 26.275 2.223 1.00 62.30 H new ATOM 0 HD3 ARG A 24 15.937 26.169 2.340 1.00 62.30 H new ATOM 0 HE ARG A 24 15.933 27.979 3.800 1.00 50.14 H new ATOM 0 HH11 ARG A 24 19.168 26.578 3.606 1.00 41.01 H new ATOM 0 HH12 ARG A 24 19.909 27.872 4.554 1.00 41.01 H new ATOM 0 HH21 ARG A 24 16.893 29.636 5.016 1.00 34.00 H new ATOM 0 HH22 ARG A 24 18.628 29.595 5.349 1.00 34.00 H new ATOM 434 N VAL A 25 17.122 23.905 0.055 1.00 24.32 N ATOM 435 CA VAL A 25 16.652 24.620 -1.125 1.00 61.32 C ATOM 436 C VAL A 25 15.868 23.696 -2.051 1.00 42.30 C ATOM 437 O VAL A 25 14.990 24.142 -2.791 1.00 23.14 O ATOM 438 CB VAL A 25 17.824 25.241 -1.909 1.00 74.31 C ATOM 439 CG1 VAL A 25 17.305 26.146 -3.016 1.00 62.44 C ATOM 440 CG2 VAL A 25 18.745 26.006 -0.972 1.00 23.14 C ATOM 0 H VAL A 25 18.067 23.531 -0.028 1.00 24.32 H new ATOM 0 HA VAL A 25 15.998 25.417 -0.773 1.00 61.32 H new ATOM 0 HB VAL A 25 18.398 24.437 -2.369 1.00 74.31 H new ATOM 0 HG11 VAL A 25 18.147 26.576 -3.559 1.00 62.44 H new ATOM 0 HG12 VAL A 25 16.689 25.565 -3.702 1.00 62.44 H new ATOM 0 HG13 VAL A 25 16.707 26.947 -2.581 1.00 62.44 H new ATOM 0 HG21 VAL A 25 19.567 26.438 -1.542 1.00 23.14 H new ATOM 0 HG22 VAL A 25 18.185 26.803 -0.482 1.00 23.14 H new ATOM 0 HG23 VAL A 25 19.144 25.326 -0.219 1.00 23.14 H new ATOM 450 N ILE A 26 16.191 22.408 -2.004 1.00 53.24 N ATOM 451 CA ILE A 26 15.515 21.422 -2.838 1.00 63.51 C ATOM 452 C ILE A 26 14.176 21.014 -2.233 1.00 4.35 C ATOM 453 O ILE A 26 13.236 20.677 -2.951 1.00 13.23 O ATOM 454 CB ILE A 26 16.381 20.163 -3.034 1.00 42.03 C ATOM 455 CG1 ILE A 26 17.683 20.520 -3.754 1.00 42.41 C ATOM 456 CG2 ILE A 26 15.612 19.107 -3.813 1.00 74.13 C ATOM 457 CD1 ILE A 26 18.920 19.986 -3.067 1.00 20.14 C ATOM 0 H ILE A 26 16.916 22.023 -1.398 1.00 53.24 H new ATOM 0 HA ILE A 26 15.345 21.892 -3.807 1.00 63.51 H new ATOM 0 HB ILE A 26 16.629 19.755 -2.054 1.00 42.03 H new ATOM 0 HG12 ILE A 26 17.645 20.130 -4.771 1.00 42.41 H new ATOM 0 HG13 ILE A 26 17.760 21.604 -3.832 1.00 42.41 H new ATOM 0 HG21 ILE A 26 16.237 18.224 -3.943 1.00 74.13 H new ATOM 0 HG22 ILE A 26 14.710 18.835 -3.265 1.00 74.13 H new ATOM 0 HG23 ILE A 26 15.337 19.504 -4.790 1.00 74.13 H new ATOM 0 HD11 ILE A 26 19.805 20.277 -3.633 1.00 20.14 H new ATOM 0 HD12 ILE A 26 18.982 20.397 -2.059 1.00 20.14 H new ATOM 0 HD13 ILE A 26 18.866 18.899 -3.013 1.00 20.14 H new ATOM 469 N ALA A 27 14.098 21.050 -0.906 1.00 73.13 N ATOM 470 CA ALA A 27 12.873 20.688 -0.204 1.00 13.42 C ATOM 471 C ALA A 27 11.803 21.761 -0.378 1.00 1.23 C ATOM 472 O ALA A 27 10.670 21.467 -0.759 1.00 11.13 O ATOM 473 CB ALA A 27 13.159 20.460 1.273 1.00 0.20 C ATOM 0 H ALA A 27 14.868 21.326 -0.297 1.00 73.13 H new ATOM 0 HA ALA A 27 12.495 19.762 -0.637 1.00 13.42 H new ATOM 0 HB1 ALA A 27 12.235 20.190 1.785 1.00 0.20 H new ATOM 0 HB2 ALA A 27 13.884 19.653 1.383 1.00 0.20 H new ATOM 0 HB3 ALA A 27 13.563 21.373 1.710 1.00 0.20 H new ATOM 479 N LYS A 28 12.170 23.007 -0.096 1.00 32.24 N ATOM 480 CA LYS A 28 11.242 24.125 -0.221 1.00 23.11 C ATOM 481 C LYS A 28 10.582 24.133 -1.596 1.00 21.40 C ATOM 482 O LYS A 28 9.444 24.577 -1.745 1.00 23.30 O ATOM 483 CB LYS A 28 11.973 25.449 0.013 1.00 0.01 C ATOM 484 CG LYS A 28 13.197 25.632 -0.867 1.00 42.11 C ATOM 485 CD LYS A 28 12.832 26.241 -2.211 1.00 31.24 C ATOM 486 CE LYS A 28 13.290 27.688 -2.310 1.00 62.30 C ATOM 487 NZ LYS A 28 12.838 28.327 -3.577 1.00 25.30 N ATOM 0 H LYS A 28 13.104 23.268 0.221 1.00 32.24 H new ATOM 0 HA LYS A 28 10.465 24.007 0.535 1.00 23.11 H new ATOM 0 HB2 LYS A 28 11.281 26.273 -0.165 1.00 0.01 H new ATOM 0 HB3 LYS A 28 12.276 25.507 1.059 1.00 0.01 H new ATOM 0 HG2 LYS A 28 13.918 26.273 -0.360 1.00 42.11 H new ATOM 0 HG3 LYS A 28 13.682 24.668 -1.023 1.00 42.11 H new ATOM 0 HD2 LYS A 28 13.288 25.658 -3.011 1.00 31.24 H new ATOM 0 HD3 LYS A 28 11.753 26.189 -2.354 1.00 31.24 H new ATOM 0 HE2 LYS A 28 12.902 28.251 -1.461 1.00 62.30 H new ATOM 0 HE3 LYS A 28 14.378 27.730 -2.250 1.00 62.30 H new ATOM 0 HZ1 LYS A 28 13.170 29.312 -3.607 1.00 25.30 H new ATOM 0 HZ2 LYS A 28 13.229 27.805 -4.387 1.00 25.30 H new ATOM 0 HZ3 LYS A 28 11.799 28.310 -3.623 1.00 25.30 H new ATOM 501 N GLU A 29 11.303 23.637 -2.597 1.00 4.13 N ATOM 502 CA GLU A 29 10.786 23.587 -3.959 1.00 13.10 C ATOM 503 C GLU A 29 9.619 22.609 -4.062 1.00 64.52 C ATOM 504 O GLU A 29 8.653 22.851 -4.785 1.00 40.25 O ATOM 505 CB GLU A 29 11.893 23.183 -4.934 1.00 70.35 C ATOM 506 CG GLU A 29 12.873 24.302 -5.241 1.00 2.51 C ATOM 507 CD GLU A 29 13.027 24.552 -6.729 1.00 24.04 C ATOM 508 OE1 GLU A 29 12.843 23.597 -7.512 1.00 35.00 O ATOM 509 OE2 GLU A 29 13.333 25.701 -7.110 1.00 0.25 O ATOM 0 H GLU A 29 12.246 23.264 -2.490 1.00 4.13 H new ATOM 0 HA GLU A 29 10.427 24.582 -4.221 1.00 13.10 H new ATOM 0 HB2 GLU A 29 12.440 22.337 -4.519 1.00 70.35 H new ATOM 0 HB3 GLU A 29 11.439 22.844 -5.865 1.00 70.35 H new ATOM 0 HG2 GLU A 29 12.536 25.218 -4.756 1.00 2.51 H new ATOM 0 HG3 GLU A 29 13.846 24.055 -4.815 1.00 2.51 H new ATOM 516 N PHE A 30 9.718 21.501 -3.334 1.00 54.21 N ATOM 517 CA PHE A 30 8.672 20.484 -3.344 1.00 44.32 C ATOM 518 C PHE A 30 7.560 20.838 -2.361 1.00 60.24 C ATOM 519 O PHE A 30 6.422 20.393 -2.508 1.00 44.33 O ATOM 520 CB PHE A 30 9.260 19.115 -2.996 1.00 1.21 C ATOM 521 CG PHE A 30 9.974 18.460 -4.143 1.00 71.24 C ATOM 522 CD1 PHE A 30 11.069 19.069 -4.734 1.00 40.13 C ATOM 523 CD2 PHE A 30 9.549 17.234 -4.632 1.00 5.44 C ATOM 524 CE1 PHE A 30 11.729 18.469 -5.790 1.00 75.52 C ATOM 525 CE2 PHE A 30 10.205 16.629 -5.687 1.00 22.12 C ATOM 526 CZ PHE A 30 11.295 17.247 -6.268 1.00 2.23 C ATOM 0 H PHE A 30 10.511 21.285 -2.730 1.00 54.21 H new ATOM 0 HA PHE A 30 8.247 20.445 -4.347 1.00 44.32 H new ATOM 0 HB2 PHE A 30 9.954 19.228 -2.163 1.00 1.21 H new ATOM 0 HB3 PHE A 30 8.458 18.460 -2.656 1.00 1.21 H new ATOM 0 HD1 PHE A 30 11.411 20.025 -4.365 1.00 40.13 H new ATOM 0 HD2 PHE A 30 8.696 16.747 -4.183 1.00 5.44 H new ATOM 0 HE1 PHE A 30 12.582 18.954 -6.241 1.00 75.52 H new ATOM 0 HE2 PHE A 30 9.865 15.673 -6.057 1.00 22.12 H new ATOM 0 HZ PHE A 30 11.807 16.776 -7.094 1.00 2.23 H new ATOM 536 N GLY A 31 7.899 21.641 -1.357 1.00 54.24 N ATOM 537 CA GLY A 31 6.919 22.041 -0.364 1.00 72.23 C ATOM 538 C GLY A 31 6.933 21.144 0.858 1.00 44.30 C ATOM 539 O GLY A 31 5.882 20.811 1.405 1.00 1.33 O ATOM 0 H GLY A 31 8.834 22.022 -1.214 1.00 54.24 H new ATOM 0 HA2 GLY A 31 7.114 23.069 -0.059 1.00 72.23 H new ATOM 0 HA3 GLY A 31 5.925 22.025 -0.812 1.00 72.23 H new ATOM 543 N VAL A 32 8.128 20.751 1.287 1.00 23.40 N ATOM 544 CA VAL A 32 8.276 19.887 2.452 1.00 33.51 C ATOM 545 C VAL A 32 9.473 20.304 3.298 1.00 44.01 C ATOM 546 O VAL A 32 10.258 21.164 2.899 1.00 3.42 O ATOM 547 CB VAL A 32 8.441 18.412 2.040 1.00 64.22 C ATOM 548 CG1 VAL A 32 7.119 17.843 1.547 1.00 5.12 C ATOM 549 CG2 VAL A 32 9.520 18.274 0.976 1.00 51.52 C ATOM 0 H VAL A 32 9.008 21.017 0.845 1.00 23.40 H new ATOM 0 HA VAL A 32 7.365 19.992 3.041 1.00 33.51 H new ATOM 0 HB VAL A 32 8.750 17.841 2.915 1.00 64.22 H new ATOM 0 HG11 VAL A 32 7.256 16.800 1.261 1.00 5.12 H new ATOM 0 HG12 VAL A 32 6.376 17.906 2.342 1.00 5.12 H new ATOM 0 HG13 VAL A 32 6.776 18.414 0.684 1.00 5.12 H new ATOM 0 HG21 VAL A 32 9.623 17.226 0.697 1.00 51.52 H new ATOM 0 HG22 VAL A 32 9.242 18.858 0.098 1.00 51.52 H new ATOM 0 HG23 VAL A 32 10.468 18.640 1.370 1.00 51.52 H new ATOM 559 N SER A 33 9.608 19.688 4.468 1.00 0.32 N ATOM 560 CA SER A 33 10.709 19.998 5.373 1.00 51.12 C ATOM 561 C SER A 33 11.915 19.109 5.085 1.00 31.15 C ATOM 562 O SER A 33 11.771 17.980 4.615 1.00 43.34 O ATOM 563 CB SER A 33 10.267 19.823 6.827 1.00 73.11 C ATOM 564 OG SER A 33 9.468 18.662 6.981 1.00 42.42 O ATOM 0 H SER A 33 8.969 18.971 4.812 1.00 0.32 H new ATOM 0 HA SER A 33 10.998 21.036 5.212 1.00 51.12 H new ATOM 0 HB2 SER A 33 11.144 19.753 7.471 1.00 73.11 H new ATOM 0 HB3 SER A 33 9.705 20.700 7.148 1.00 73.11 H new ATOM 0 HG SER A 33 9.200 18.572 7.919 1.00 42.42 H new ATOM 570 N LYS A 34 13.105 19.626 5.372 1.00 32.24 N ATOM 571 CA LYS A 34 14.338 18.881 5.147 1.00 33.30 C ATOM 572 C LYS A 34 14.276 17.511 5.816 1.00 0.54 C ATOM 573 O LYS A 34 14.812 16.532 5.298 1.00 32.01 O ATOM 574 CB LYS A 34 15.538 19.667 5.680 1.00 54.02 C ATOM 575 CG LYS A 34 15.614 21.090 5.155 1.00 51.24 C ATOM 576 CD LYS A 34 15.133 22.093 6.190 1.00 50.12 C ATOM 577 CE LYS A 34 14.095 23.041 5.608 1.00 63.32 C ATOM 578 NZ LYS A 34 13.047 23.395 6.604 1.00 32.22 N ATOM 0 H LYS A 34 13.242 20.559 5.761 1.00 32.24 H new ATOM 0 HA LYS A 34 14.455 18.736 4.073 1.00 33.30 H new ATOM 0 HB2 LYS A 34 15.491 19.692 6.769 1.00 54.02 H new ATOM 0 HB3 LYS A 34 16.454 19.141 5.413 1.00 54.02 H new ATOM 0 HG2 LYS A 34 16.642 21.321 4.874 1.00 51.24 H new ATOM 0 HG3 LYS A 34 15.009 21.179 4.253 1.00 51.24 H new ATOM 0 HD2 LYS A 34 14.706 21.563 7.041 1.00 50.12 H new ATOM 0 HD3 LYS A 34 15.981 22.666 6.564 1.00 50.12 H new ATOM 0 HE2 LYS A 34 14.587 23.949 5.260 1.00 63.32 H new ATOM 0 HE3 LYS A 34 13.628 22.579 4.738 1.00 63.32 H new ATOM 0 HZ1 LYS A 34 12.359 24.042 6.169 1.00 32.22 H new ATOM 0 HZ2 LYS A 34 12.560 22.531 6.917 1.00 32.22 H new ATOM 0 HZ3 LYS A 34 13.489 23.859 7.423 1.00 32.22 H new ATOM 592 N SER A 35 13.618 17.451 6.970 1.00 61.32 N ATOM 593 CA SER A 35 13.489 16.202 7.711 1.00 74.40 C ATOM 594 C SER A 35 12.642 15.196 6.937 1.00 54.00 C ATOM 595 O SER A 35 12.841 13.985 7.043 1.00 43.40 O ATOM 596 CB SER A 35 12.865 16.461 9.084 1.00 61.12 C ATOM 597 OG SER A 35 12.985 15.324 9.921 1.00 0.24 O ATOM 0 H SER A 35 13.167 18.252 7.411 1.00 61.32 H new ATOM 0 HA SER A 35 14.486 15.784 7.846 1.00 74.40 H new ATOM 0 HB2 SER A 35 13.353 17.315 9.553 1.00 61.12 H new ATOM 0 HB3 SER A 35 11.813 16.720 8.966 1.00 61.12 H new ATOM 0 HG SER A 35 12.580 15.515 10.793 1.00 0.24 H new ATOM 603 N THR A 36 11.694 15.706 6.157 1.00 15.31 N ATOM 604 CA THR A 36 10.814 14.855 5.366 1.00 65.13 C ATOM 605 C THR A 36 11.507 14.381 4.093 1.00 4.22 C ATOM 606 O THR A 36 11.325 13.243 3.662 1.00 21.50 O ATOM 607 CB THR A 36 9.514 15.588 4.986 1.00 3.50 C ATOM 608 OG1 THR A 36 8.808 15.977 6.169 1.00 12.33 O ATOM 609 CG2 THR A 36 8.625 14.703 4.126 1.00 11.30 C ATOM 0 H THR A 36 11.516 16.705 6.056 1.00 15.31 H new ATOM 0 HA THR A 36 10.568 13.993 5.986 1.00 65.13 H new ATOM 0 HB THR A 36 9.778 16.476 4.412 1.00 3.50 H new ATOM 0 HG1 THR A 36 9.059 16.892 6.414 1.00 12.33 H new ATOM 0 HG21 THR A 36 7.713 15.242 3.870 1.00 11.30 H new ATOM 0 HG22 THR A 36 9.155 14.433 3.213 1.00 11.30 H new ATOM 0 HG23 THR A 36 8.369 13.799 4.678 1.00 11.30 H new ATOM 617 N VAL A 37 12.304 15.262 3.496 1.00 71.24 N ATOM 618 CA VAL A 37 13.026 14.933 2.273 1.00 63.43 C ATOM 619 C VAL A 37 14.154 13.945 2.549 1.00 31.45 C ATOM 620 O VAL A 37 14.174 12.840 2.005 1.00 40.31 O ATOM 621 CB VAL A 37 13.614 16.193 1.611 1.00 10.33 C ATOM 622 CG1 VAL A 37 14.393 15.825 0.358 1.00 53.24 C ATOM 623 CG2 VAL A 37 12.510 17.190 1.290 1.00 62.41 C ATOM 0 H VAL A 37 12.466 16.209 3.840 1.00 71.24 H new ATOM 0 HA VAL A 37 12.305 14.477 1.594 1.00 63.43 H new ATOM 0 HB VAL A 37 14.304 16.663 2.312 1.00 10.33 H new ATOM 0 HG11 VAL A 37 14.801 16.728 -0.095 1.00 53.24 H new ATOM 0 HG12 VAL A 37 15.209 15.151 0.621 1.00 53.24 H new ATOM 0 HG13 VAL A 37 13.729 15.331 -0.351 1.00 53.24 H new ATOM 0 HG21 VAL A 37 12.943 18.074 0.823 1.00 62.41 H new ATOM 0 HG22 VAL A 37 11.794 16.733 0.607 1.00 62.41 H new ATOM 0 HG23 VAL A 37 12.001 17.478 2.210 1.00 62.41 H new ATOM 633 N HIS A 38 15.092 14.349 3.400 1.00 31.23 N ATOM 634 CA HIS A 38 16.224 13.498 3.751 1.00 53.20 C ATOM 635 C HIS A 38 15.749 12.119 4.198 1.00 12.03 C ATOM 636 O HIS A 38 16.464 11.127 4.055 1.00 4.41 O ATOM 637 CB HIS A 38 17.054 14.149 4.858 1.00 32.51 C ATOM 638 CG HIS A 38 18.465 14.446 4.453 1.00 54.12 C ATOM 639 ND1 HIS A 38 19.540 14.291 5.301 1.00 22.45 N ATOM 640 CD2 HIS A 38 18.974 14.891 3.280 1.00 33.31 C ATOM 641 CE1 HIS A 38 20.650 14.628 4.669 1.00 53.30 C ATOM 642 NE2 HIS A 38 20.333 14.996 3.440 1.00 25.23 N ATOM 0 H HIS A 38 15.091 15.260 3.859 1.00 31.23 H new ATOM 0 HA HIS A 38 16.846 13.378 2.864 1.00 53.20 H new ATOM 0 HB2 HIS A 38 16.570 15.076 5.166 1.00 32.51 H new ATOM 0 HB3 HIS A 38 17.065 13.491 5.727 1.00 32.51 H new ATOM 0 HD1 HIS A 38 19.487 13.967 6.267 1.00 22.45 H new ATOM 0 HD2 HIS A 38 18.415 15.121 2.385 1.00 33.31 H new ATOM 0 HE1 HIS A 38 21.646 14.606 5.086 1.00 53.30 H new ATOM 650 N LYS A 39 14.538 12.063 4.742 1.00 55.24 N ATOM 651 CA LYS A 39 13.966 10.806 5.210 1.00 53.32 C ATOM 652 C LYS A 39 13.888 9.788 4.077 1.00 51.34 C ATOM 653 O LYS A 39 14.314 8.643 4.228 1.00 53.10 O ATOM 654 CB LYS A 39 12.571 11.043 5.794 1.00 50.03 C ATOM 655 CG LYS A 39 11.879 9.771 6.251 1.00 22.42 C ATOM 656 CD LYS A 39 10.554 10.070 6.931 1.00 13.12 C ATOM 657 CE LYS A 39 9.439 9.185 6.395 1.00 65.52 C ATOM 658 NZ LYS A 39 8.331 9.032 7.377 1.00 55.30 N ATOM 0 H LYS A 39 13.933 12.874 4.870 1.00 55.24 H new ATOM 0 HA LYS A 39 14.617 10.407 5.988 1.00 53.32 H new ATOM 0 HB2 LYS A 39 12.651 11.727 6.639 1.00 50.03 H new ATOM 0 HB3 LYS A 39 11.951 11.535 5.044 1.00 50.03 H new ATOM 0 HG2 LYS A 39 11.710 9.120 5.394 1.00 22.42 H new ATOM 0 HG3 LYS A 39 12.528 9.230 6.939 1.00 22.42 H new ATOM 0 HD2 LYS A 39 10.654 9.920 8.006 1.00 13.12 H new ATOM 0 HD3 LYS A 39 10.294 11.117 6.778 1.00 13.12 H new ATOM 0 HE2 LYS A 39 9.049 9.612 5.471 1.00 65.52 H new ATOM 0 HE3 LYS A 39 9.842 8.203 6.147 1.00 65.52 H new ATOM 0 HZ1 LYS A 39 7.591 8.422 6.974 1.00 55.30 H new ATOM 0 HZ2 LYS A 39 8.698 8.601 8.250 1.00 55.30 H new ATOM 0 HZ3 LYS A 39 7.929 9.966 7.595 1.00 55.30 H new ATOM 672 N ASP A 40 13.343 10.213 2.942 1.00 2.50 N ATOM 673 CA ASP A 40 13.212 9.339 1.782 1.00 3.41 C ATOM 674 C ASP A 40 14.484 9.361 0.939 1.00 34.12 C ATOM 675 O ASP A 40 14.872 8.348 0.357 1.00 63.52 O ATOM 676 CB ASP A 40 12.014 9.762 0.931 1.00 50.12 C ATOM 677 CG ASP A 40 10.724 9.801 1.726 1.00 73.40 C ATOM 678 OD1 ASP A 40 10.334 8.749 2.276 1.00 10.34 O ATOM 679 OD2 ASP A 40 10.104 10.882 1.799 1.00 41.24 O ATOM 0 H ASP A 40 12.985 11.158 2.801 1.00 2.50 H new ATOM 0 HA ASP A 40 13.052 8.322 2.140 1.00 3.41 H new ATOM 0 HB2 ASP A 40 12.205 10.747 0.505 1.00 50.12 H new ATOM 0 HB3 ASP A 40 11.902 9.070 0.097 1.00 50.12 H new ATOM 684 N LEU A 41 15.127 10.522 0.878 1.00 73.44 N ATOM 685 CA LEU A 41 16.354 10.676 0.105 1.00 64.02 C ATOM 686 C LEU A 41 17.449 9.754 0.632 1.00 3.10 C ATOM 687 O LEU A 41 18.436 9.487 -0.055 1.00 10.11 O ATOM 688 CB LEU A 41 16.830 12.129 0.150 1.00 13.24 C ATOM 689 CG LEU A 41 16.244 13.061 -0.912 1.00 31.45 C ATOM 690 CD1 LEU A 41 17.067 12.999 -2.189 1.00 25.14 C ATOM 691 CD2 LEU A 41 14.792 12.702 -1.193 1.00 41.02 C ATOM 0 H LEU A 41 14.819 11.370 1.354 1.00 73.44 H new ATOM 0 HA LEU A 41 16.140 10.402 -0.928 1.00 64.02 H new ATOM 0 HB2 LEU A 41 16.594 12.537 1.133 1.00 13.24 H new ATOM 0 HB3 LEU A 41 17.916 12.138 0.053 1.00 13.24 H new ATOM 0 HG LEU A 41 16.278 14.082 -0.531 1.00 31.45 H new ATOM 0 HD11 LEU A 41 16.635 13.668 -2.933 1.00 25.14 H new ATOM 0 HD12 LEU A 41 18.091 13.305 -1.977 1.00 25.14 H new ATOM 0 HD13 LEU A 41 17.065 11.979 -2.574 1.00 25.14 H new ATOM 0 HD21 LEU A 41 14.391 13.375 -1.951 1.00 41.02 H new ATOM 0 HD22 LEU A 41 14.734 11.675 -1.553 1.00 41.02 H new ATOM 0 HD23 LEU A 41 14.209 12.799 -0.277 1.00 41.02 H new ATOM 703 N THR A 42 17.268 9.268 1.856 1.00 20.01 N ATOM 704 CA THR A 42 18.239 8.375 2.475 1.00 3.25 C ATOM 705 C THR A 42 17.631 7.004 2.748 1.00 54.42 C ATOM 706 O THR A 42 18.282 6.129 3.316 1.00 34.43 O ATOM 707 CB THR A 42 18.775 8.958 3.797 1.00 63.03 C ATOM 708 OG1 THR A 42 17.736 8.975 4.782 1.00 24.30 O ATOM 709 CG2 THR A 42 19.308 10.368 3.590 1.00 74.12 C ATOM 0 H THR A 42 16.457 9.478 2.438 1.00 20.01 H new ATOM 0 HA THR A 42 19.064 8.269 1.771 1.00 3.25 H new ATOM 0 HB THR A 42 19.592 8.325 4.143 1.00 63.03 H new ATOM 0 HG1 THR A 42 16.995 9.534 4.466 1.00 24.30 H new ATOM 0 HG21 THR A 42 19.681 10.759 4.537 1.00 74.12 H new ATOM 0 HG22 THR A 42 20.119 10.347 2.862 1.00 74.12 H new ATOM 0 HG23 THR A 42 18.507 11.010 3.223 1.00 74.12 H new ATOM 717 N GLU A 43 16.379 6.826 2.338 1.00 73.33 N ATOM 718 CA GLU A 43 15.683 5.560 2.539 1.00 61.05 C ATOM 719 C GLU A 43 15.197 4.989 1.209 1.00 3.33 C ATOM 720 O GLU A 43 15.752 4.015 0.700 1.00 10.30 O ATOM 721 CB GLU A 43 14.499 5.749 3.488 1.00 35.45 C ATOM 722 CG GLU A 43 14.904 5.900 4.945 1.00 44.21 C ATOM 723 CD GLU A 43 15.097 4.566 5.639 1.00 73.21 C ATOM 724 OE1 GLU A 43 15.766 3.686 5.057 1.00 0.31 O ATOM 725 OE2 GLU A 43 14.578 4.401 6.763 1.00 61.33 O ATOM 0 H GLU A 43 15.826 7.541 1.865 1.00 73.33 H new ATOM 0 HA GLU A 43 16.386 4.855 2.982 1.00 61.05 H new ATOM 0 HB2 GLU A 43 13.937 6.632 3.183 1.00 35.45 H new ATOM 0 HB3 GLU A 43 13.828 4.895 3.393 1.00 35.45 H new ATOM 0 HG2 GLU A 43 15.830 6.473 5.003 1.00 44.21 H new ATOM 0 HG3 GLU A 43 14.141 6.473 5.473 1.00 44.21 H new ATOM 732 N ARG A 44 14.158 5.603 0.653 1.00 34.34 N ATOM 733 CA ARG A 44 13.595 5.155 -0.615 1.00 43.31 C ATOM 734 C ARG A 44 14.548 5.456 -1.768 1.00 62.13 C ATOM 735 O ARG A 44 14.836 4.587 -2.593 1.00 14.20 O ATOM 736 CB ARG A 44 12.246 5.831 -0.866 1.00 34.45 C ATOM 737 CG ARG A 44 11.125 5.294 0.009 1.00 15.14 C ATOM 738 CD ARG A 44 10.640 3.937 -0.476 1.00 23.34 C ATOM 739 NE ARG A 44 9.815 3.261 0.522 1.00 5.14 N ATOM 740 CZ ARG A 44 9.051 2.208 0.254 1.00 44.33 C ATOM 741 NH1 ARG A 44 9.008 1.713 -0.975 1.00 52.14 N ATOM 742 NH2 ARG A 44 8.329 1.648 1.216 1.00 42.22 N ATOM 0 H ARG A 44 13.689 6.412 1.061 1.00 34.34 H new ATOM 0 HA ARG A 44 13.448 4.076 -0.558 1.00 43.31 H new ATOM 0 HB2 ARG A 44 12.348 6.903 -0.694 1.00 34.45 H new ATOM 0 HB3 ARG A 44 11.973 5.701 -1.913 1.00 34.45 H new ATOM 0 HG2 ARG A 44 11.474 5.210 1.038 1.00 15.14 H new ATOM 0 HG3 ARG A 44 10.294 5.999 0.011 1.00 15.14 H new ATOM 0 HD2 ARG A 44 10.067 4.064 -1.394 1.00 23.34 H new ATOM 0 HD3 ARG A 44 11.499 3.311 -0.720 1.00 23.34 H new ATOM 0 HE ARG A 44 9.826 3.617 1.478 1.00 5.14 H new ATOM 0 HH11 ARG A 44 9.562 2.141 -1.717 1.00 52.14 H new ATOM 0 HH12 ARG A 44 8.421 0.904 -1.179 1.00 52.14 H new ATOM 0 HH21 ARG A 44 8.360 2.026 2.163 1.00 42.22 H new ATOM 0 HH22 ARG A 44 7.743 0.839 1.009 1.00 42.22 H new ATOM 756 N LEU A 45 15.035 6.691 -1.820 1.00 74.03 N ATOM 757 CA LEU A 45 15.955 7.107 -2.873 1.00 2.13 C ATOM 758 C LEU A 45 17.030 6.050 -3.106 1.00 34.22 C ATOM 759 O LEU A 45 17.190 5.525 -4.208 1.00 5.30 O ATOM 760 CB LEU A 45 16.608 8.442 -2.508 1.00 74.14 C ATOM 761 CG LEU A 45 18.006 8.683 -3.079 1.00 14.52 C ATOM 762 CD1 LEU A 45 18.025 8.414 -4.575 1.00 42.55 C ATOM 763 CD2 LEU A 45 18.463 10.104 -2.784 1.00 45.54 C ATOM 0 H LEU A 45 14.808 7.422 -1.145 1.00 74.03 H new ATOM 0 HA LEU A 45 15.384 7.227 -3.794 1.00 2.13 H new ATOM 0 HB2 LEU A 45 15.956 9.247 -2.846 1.00 74.14 H new ATOM 0 HB3 LEU A 45 16.664 8.511 -1.422 1.00 74.14 H new ATOM 0 HG LEU A 45 18.699 7.992 -2.599 1.00 14.52 H new ATOM 0 HD11 LEU A 45 19.028 8.591 -4.964 1.00 42.55 H new ATOM 0 HD12 LEU A 45 17.741 7.379 -4.762 1.00 42.55 H new ATOM 0 HD13 LEU A 45 17.320 9.080 -5.073 1.00 42.55 H new ATOM 0 HD21 LEU A 45 19.460 10.259 -3.197 1.00 45.54 H new ATOM 0 HD22 LEU A 45 17.768 10.811 -3.237 1.00 45.54 H new ATOM 0 HD23 LEU A 45 18.489 10.261 -1.706 1.00 45.54 H new ATOM 775 N PRO A 46 17.782 5.726 -2.044 1.00 3.43 N ATOM 776 CA PRO A 46 18.853 4.727 -2.107 1.00 34.22 C ATOM 777 C PRO A 46 18.314 3.311 -2.279 1.00 72.33 C ATOM 778 O PRO A 46 18.962 2.461 -2.888 1.00 62.34 O ATOM 779 CB PRO A 46 19.553 4.871 -0.753 1.00 41.24 C ATOM 780 CG PRO A 46 18.511 5.427 0.155 1.00 22.30 C ATOM 781 CD PRO A 46 17.646 6.311 -0.699 1.00 50.52 C ATOM 0 HA PRO A 46 19.511 4.888 -2.961 1.00 34.22 H new ATOM 0 HB2 PRO A 46 19.920 3.910 -0.393 1.00 41.24 H new ATOM 0 HB3 PRO A 46 20.414 5.536 -0.821 1.00 41.24 H new ATOM 0 HG2 PRO A 46 17.924 4.629 0.610 1.00 22.30 H new ATOM 0 HG3 PRO A 46 18.964 5.993 0.969 1.00 22.30 H new ATOM 0 HD2 PRO A 46 16.610 6.306 -0.362 1.00 50.52 H new ATOM 0 HD3 PRO A 46 17.984 7.347 -0.676 1.00 50.52 H new ATOM 789 N GLU A 47 17.124 3.065 -1.740 1.00 10.25 N ATOM 790 CA GLU A 47 16.499 1.751 -1.835 1.00 3.15 C ATOM 791 C GLU A 47 16.163 1.412 -3.284 1.00 20.01 C ATOM 792 O GLU A 47 16.379 0.287 -3.735 1.00 72.31 O ATOM 793 CB GLU A 47 15.231 1.702 -0.980 1.00 72.22 C ATOM 794 CG GLU A 47 15.462 1.164 0.422 1.00 11.51 C ATOM 795 CD GLU A 47 15.314 -0.343 0.501 1.00 12.52 C ATOM 796 OE1 GLU A 47 15.472 -1.010 -0.542 1.00 23.42 O ATOM 797 OE2 GLU A 47 15.040 -0.854 1.607 1.00 15.22 O ATOM 0 H GLU A 47 16.574 3.758 -1.233 1.00 10.25 H new ATOM 0 HA GLU A 47 17.208 1.012 -1.463 1.00 3.15 H new ATOM 0 HB2 GLU A 47 14.811 2.705 -0.910 1.00 72.22 H new ATOM 0 HB3 GLU A 47 14.489 1.080 -1.481 1.00 72.22 H new ATOM 0 HG2 GLU A 47 16.461 1.445 0.755 1.00 11.51 H new ATOM 0 HG3 GLU A 47 14.755 1.631 1.107 1.00 11.51 H new ATOM 804 N ILE A 48 15.633 2.393 -4.007 1.00 62.40 N ATOM 805 CA ILE A 48 15.268 2.199 -5.405 1.00 34.23 C ATOM 806 C ILE A 48 16.427 2.551 -6.330 1.00 63.12 C ATOM 807 O ILE A 48 16.517 2.047 -7.449 1.00 14.30 O ATOM 808 CB ILE A 48 14.042 3.049 -5.789 1.00 63.12 C ATOM 809 CG1 ILE A 48 14.273 4.514 -5.414 1.00 13.23 C ATOM 810 CG2 ILE A 48 12.791 2.513 -5.109 1.00 63.35 C ATOM 811 CD1 ILE A 48 13.921 5.484 -6.520 1.00 65.12 C ATOM 0 H ILE A 48 15.447 3.329 -3.648 1.00 62.40 H new ATOM 0 HA ILE A 48 15.020 1.144 -5.523 1.00 34.23 H new ATOM 0 HB ILE A 48 13.899 2.988 -6.868 1.00 63.12 H new ATOM 0 HG12 ILE A 48 13.680 4.752 -4.531 1.00 13.23 H new ATOM 0 HG13 ILE A 48 15.320 4.650 -5.142 1.00 13.23 H new ATOM 0 HG21 ILE A 48 11.934 3.124 -5.390 1.00 63.35 H new ATOM 0 HG22 ILE A 48 12.620 1.483 -5.421 1.00 63.35 H new ATOM 0 HG23 ILE A 48 12.922 2.547 -4.027 1.00 63.35 H new ATOM 0 HD11 ILE A 48 14.110 6.503 -6.184 1.00 65.12 H new ATOM 0 HD12 ILE A 48 14.532 5.272 -7.398 1.00 65.12 H new ATOM 0 HD13 ILE A 48 12.867 5.376 -6.777 1.00 65.12 H new ATOM 823 N ASN A 49 17.315 3.418 -5.854 1.00 52.21 N ATOM 824 CA ASN A 49 18.471 3.837 -6.639 1.00 13.25 C ATOM 825 C ASN A 49 19.651 4.174 -5.732 1.00 35.44 C ATOM 826 O ASN A 49 19.736 5.261 -5.160 1.00 32.32 O ATOM 827 CB ASN A 49 18.115 5.049 -7.502 1.00 40.11 C ATOM 828 CG ASN A 49 17.498 4.652 -8.829 1.00 55.11 C ATOM 829 OD1 ASN A 49 16.351 4.208 -8.885 1.00 33.24 O ATOM 830 ND2 ASN A 49 18.258 4.811 -9.906 1.00 73.13 N ATOM 0 H ASN A 49 17.256 3.844 -4.929 1.00 52.21 H new ATOM 0 HA ASN A 49 18.758 3.009 -7.287 1.00 13.25 H new ATOM 0 HB2 ASN A 49 17.419 5.688 -6.958 1.00 40.11 H new ATOM 0 HB3 ASN A 49 19.014 5.639 -7.684 1.00 40.11 H new ATOM 0 HD21 ASN A 49 17.897 4.562 -10.827 1.00 73.13 H new ATOM 0 HD22 ASN A 49 19.203 5.183 -9.813 1.00 73.13 H new ATOM 837 N PRO A 50 20.584 3.220 -5.596 1.00 73.33 N ATOM 838 CA PRO A 50 21.776 3.392 -4.762 1.00 23.35 C ATOM 839 C PRO A 50 22.755 4.403 -5.350 1.00 32.43 C ATOM 840 O PRO A 50 23.368 5.183 -4.622 1.00 3.05 O ATOM 841 CB PRO A 50 22.400 1.994 -4.741 1.00 74.21 C ATOM 842 CG PRO A 50 21.922 1.348 -5.996 1.00 23.22 C ATOM 843 CD PRO A 50 20.547 1.900 -6.248 1.00 74.14 C ATOM 0 HA PRO A 50 21.528 3.778 -3.773 1.00 23.35 H new ATOM 0 HB2 PRO A 50 23.488 2.046 -4.712 1.00 74.21 H new ATOM 0 HB3 PRO A 50 22.085 1.433 -3.862 1.00 74.21 H new ATOM 0 HG2 PRO A 50 22.590 1.570 -6.828 1.00 23.22 H new ATOM 0 HG3 PRO A 50 21.894 0.263 -5.890 1.00 23.22 H new ATOM 0 HD2 PRO A 50 20.337 1.984 -7.314 1.00 74.14 H new ATOM 0 HD3 PRO A 50 19.773 1.262 -5.820 1.00 74.14 H new ATOM 851 N ASP A 51 22.895 4.383 -6.670 1.00 43.45 N ATOM 852 CA ASP A 51 23.798 5.300 -7.357 1.00 24.13 C ATOM 853 C ASP A 51 23.322 6.742 -7.212 1.00 62.04 C ATOM 854 O ASP A 51 24.095 7.629 -6.847 1.00 62.24 O ATOM 855 CB ASP A 51 23.906 4.931 -8.837 1.00 72.02 C ATOM 856 CG ASP A 51 24.610 3.606 -9.054 1.00 35.20 C ATOM 857 OD1 ASP A 51 24.008 2.556 -8.742 1.00 43.31 O ATOM 858 OD2 ASP A 51 25.761 3.618 -9.536 1.00 41.04 O ATOM 0 H ASP A 51 22.395 3.742 -7.286 1.00 43.45 H new ATOM 0 HA ASP A 51 24.782 5.214 -6.897 1.00 24.13 H new ATOM 0 HB2 ASP A 51 22.907 4.883 -9.270 1.00 72.02 H new ATOM 0 HB3 ASP A 51 24.446 5.717 -9.366 1.00 72.02 H new ATOM 863 N LEU A 52 22.046 6.970 -7.502 1.00 71.20 N ATOM 864 CA LEU A 52 21.466 8.305 -7.405 1.00 71.15 C ATOM 865 C LEU A 52 21.501 8.811 -5.967 1.00 40.10 C ATOM 866 O LEU A 52 21.532 10.017 -5.724 1.00 25.04 O ATOM 867 CB LEU A 52 20.025 8.295 -7.920 1.00 23.03 C ATOM 868 CG LEU A 52 19.689 9.330 -8.994 1.00 70.41 C ATOM 869 CD1 LEU A 52 18.271 9.127 -9.505 1.00 11.11 C ATOM 870 CD2 LEU A 52 19.866 10.740 -8.450 1.00 73.13 C ATOM 0 H LEU A 52 21.393 6.248 -7.806 1.00 71.20 H new ATOM 0 HA LEU A 52 22.061 8.979 -8.022 1.00 71.15 H new ATOM 0 HB2 LEU A 52 19.810 7.304 -8.319 1.00 23.03 H new ATOM 0 HB3 LEU A 52 19.357 8.450 -7.073 1.00 23.03 H new ATOM 0 HG LEU A 52 20.377 9.196 -9.829 1.00 70.41 H new ATOM 0 HD11 LEU A 52 18.049 9.872 -10.269 1.00 11.11 H new ATOM 0 HD12 LEU A 52 18.178 8.129 -9.934 1.00 11.11 H new ATOM 0 HD13 LEU A 52 17.568 9.234 -8.679 1.00 11.11 H new ATOM 0 HD21 LEU A 52 19.623 11.463 -9.228 1.00 73.13 H new ATOM 0 HD22 LEU A 52 19.203 10.887 -7.597 1.00 73.13 H new ATOM 0 HD23 LEU A 52 20.900 10.881 -8.134 1.00 73.13 H new ATOM 882 N ALA A 53 21.497 7.881 -5.018 1.00 5.13 N ATOM 883 CA ALA A 53 21.533 8.233 -3.604 1.00 22.14 C ATOM 884 C ALA A 53 22.866 8.873 -3.231 1.00 0.33 C ATOM 885 O ALA A 53 22.951 9.636 -2.270 1.00 1.53 O ATOM 886 CB ALA A 53 21.279 7.001 -2.747 1.00 1.52 C ATOM 0 H ALA A 53 21.469 6.878 -5.203 1.00 5.13 H new ATOM 0 HA ALA A 53 20.745 8.962 -3.416 1.00 22.14 H new ATOM 0 HB1 ALA A 53 21.309 7.278 -1.693 1.00 1.52 H new ATOM 0 HB2 ALA A 53 20.299 6.587 -2.986 1.00 1.52 H new ATOM 0 HB3 ALA A 53 22.047 6.254 -2.947 1.00 1.52 H new ATOM 892 N ASN A 54 23.904 8.556 -3.997 1.00 45.53 N ATOM 893 CA ASN A 54 25.234 9.100 -3.746 1.00 1.40 C ATOM 894 C ASN A 54 25.282 10.591 -4.068 1.00 12.05 C ATOM 895 O ASN A 54 25.968 11.359 -3.394 1.00 40.12 O ATOM 896 CB ASN A 54 26.279 8.354 -4.578 1.00 51.01 C ATOM 897 CG ASN A 54 27.184 7.485 -3.726 1.00 12.41 C ATOM 898 OD1 ASN A 54 27.766 7.950 -2.746 1.00 1.41 O ATOM 899 ND2 ASN A 54 27.306 6.216 -4.097 1.00 10.12 N ATOM 0 H ASN A 54 23.850 7.925 -4.797 1.00 45.53 H new ATOM 0 HA ASN A 54 25.459 8.967 -2.688 1.00 1.40 H new ATOM 0 HB2 ASN A 54 25.774 7.732 -5.318 1.00 51.01 H new ATOM 0 HB3 ASN A 54 26.884 9.075 -5.127 1.00 51.01 H new ATOM 0 HD21 ASN A 54 27.901 5.583 -3.562 1.00 10.12 H new ATOM 0 HD22 ASN A 54 26.805 5.874 -4.917 1.00 10.12 H new ATOM 906 N GLU A 55 24.547 10.992 -5.101 1.00 24.14 N ATOM 907 CA GLU A 55 24.507 12.391 -5.511 1.00 34.51 C ATOM 908 C GLU A 55 24.140 13.292 -4.335 1.00 63.04 C ATOM 909 O GLU A 55 24.886 14.206 -3.983 1.00 62.13 O ATOM 910 CB GLU A 55 23.500 12.582 -6.648 1.00 5.43 C ATOM 911 CG GLU A 55 23.670 11.589 -7.785 1.00 31.34 C ATOM 912 CD GLU A 55 22.840 11.948 -9.002 1.00 32.32 C ATOM 913 OE1 GLU A 55 21.958 12.823 -8.880 1.00 53.51 O ATOM 914 OE2 GLU A 55 23.072 11.353 -10.075 1.00 54.31 O ATOM 0 H GLU A 55 23.972 10.369 -5.668 1.00 24.14 H new ATOM 0 HA GLU A 55 25.500 12.669 -5.863 1.00 34.51 H new ATOM 0 HB2 GLU A 55 22.491 12.493 -6.247 1.00 5.43 H new ATOM 0 HB3 GLU A 55 23.598 13.593 -7.043 1.00 5.43 H new ATOM 0 HG2 GLU A 55 24.722 11.543 -8.068 1.00 31.34 H new ATOM 0 HG3 GLU A 55 23.389 10.594 -7.439 1.00 31.34 H new ATOM 921 N VAL A 56 22.986 13.028 -3.732 1.00 74.11 N ATOM 922 CA VAL A 56 22.519 13.814 -2.596 1.00 24.21 C ATOM 923 C VAL A 56 23.476 13.693 -1.415 1.00 12.22 C ATOM 924 O VAL A 56 23.560 14.590 -0.575 1.00 60.04 O ATOM 925 CB VAL A 56 21.112 13.375 -2.150 1.00 0.04 C ATOM 926 CG1 VAL A 56 21.133 11.937 -1.653 1.00 41.41 C ATOM 927 CG2 VAL A 56 20.578 14.311 -1.076 1.00 22.13 C ATOM 0 H VAL A 56 22.357 12.275 -4.011 1.00 74.11 H new ATOM 0 HA VAL A 56 22.480 14.853 -2.924 1.00 24.21 H new ATOM 0 HB VAL A 56 20.445 13.427 -3.010 1.00 0.04 H new ATOM 0 HG11 VAL A 56 20.130 11.645 -1.342 1.00 41.41 H new ATOM 0 HG12 VAL A 56 21.470 11.280 -2.455 1.00 41.41 H new ATOM 0 HG13 VAL A 56 21.814 11.855 -0.806 1.00 41.41 H new ATOM 0 HG21 VAL A 56 19.583 13.986 -0.772 1.00 22.13 H new ATOM 0 HG22 VAL A 56 21.244 14.293 -0.214 1.00 22.13 H new ATOM 0 HG23 VAL A 56 20.524 15.325 -1.472 1.00 22.13 H new ATOM 937 N LYS A 57 24.196 12.578 -1.356 1.00 4.53 N ATOM 938 CA LYS A 57 25.150 12.339 -0.279 1.00 14.34 C ATOM 939 C LYS A 57 26.433 13.133 -0.502 1.00 22.42 C ATOM 940 O LYS A 57 27.118 13.503 0.451 1.00 31.43 O ATOM 941 CB LYS A 57 25.471 10.847 -0.177 1.00 23.45 C ATOM 942 CG LYS A 57 26.700 10.545 0.665 1.00 54.25 C ATOM 943 CD LYS A 57 26.542 11.060 2.085 1.00 25.05 C ATOM 944 CE LYS A 57 25.483 10.278 2.848 1.00 43.45 C ATOM 945 NZ LYS A 57 25.920 8.883 3.130 1.00 75.25 N ATOM 0 H LYS A 57 24.137 11.825 -2.042 1.00 4.53 H new ATOM 0 HA LYS A 57 24.697 12.671 0.655 1.00 14.34 H new ATOM 0 HB2 LYS A 57 24.613 10.328 0.249 1.00 23.45 H new ATOM 0 HB3 LYS A 57 25.621 10.447 -1.180 1.00 23.45 H new ATOM 0 HG2 LYS A 57 26.874 9.469 0.684 1.00 54.25 H new ATOM 0 HG3 LYS A 57 27.577 11.001 0.207 1.00 54.25 H new ATOM 0 HD2 LYS A 57 27.496 10.988 2.607 1.00 25.05 H new ATOM 0 HD3 LYS A 57 26.270 12.115 2.062 1.00 25.05 H new ATOM 0 HE2 LYS A 57 25.262 10.786 3.787 1.00 43.45 H new ATOM 0 HE3 LYS A 57 24.559 10.259 2.270 1.00 43.45 H new ATOM 0 HZ1 LYS A 57 25.282 8.454 3.830 1.00 75.25 H new ATOM 0 HZ2 LYS A 57 25.894 8.327 2.252 1.00 75.25 H new ATOM 0 HZ3 LYS A 57 26.890 8.892 3.506 1.00 75.25 H new ATOM 959 N GLU A 58 26.752 13.391 -1.766 1.00 74.04 N ATOM 960 CA GLU A 58 27.953 14.141 -2.113 1.00 11.31 C ATOM 961 C GLU A 58 27.854 15.583 -1.624 1.00 54.51 C ATOM 962 O GLU A 58 28.732 16.070 -0.912 1.00 43.41 O ATOM 963 CB GLU A 58 28.176 14.119 -3.626 1.00 65.54 C ATOM 964 CG GLU A 58 28.744 12.805 -4.138 1.00 43.31 C ATOM 965 CD GLU A 58 29.523 12.970 -5.429 1.00 32.11 C ATOM 966 OE1 GLU A 58 28.894 12.940 -6.508 1.00 24.21 O ATOM 967 OE2 GLU A 58 30.759 13.128 -5.361 1.00 4.34 O ATOM 0 H GLU A 58 26.196 13.092 -2.567 1.00 74.04 H new ATOM 0 HA GLU A 58 28.802 13.666 -1.621 1.00 11.31 H new ATOM 0 HB2 GLU A 58 27.228 14.316 -4.127 1.00 65.54 H new ATOM 0 HB3 GLU A 58 28.854 14.928 -3.897 1.00 65.54 H new ATOM 0 HG2 GLU A 58 29.395 12.374 -3.378 1.00 43.31 H new ATOM 0 HG3 GLU A 58 27.929 12.099 -4.297 1.00 43.31 H new ATOM 974 N ILE A 59 26.778 16.261 -2.012 1.00 62.41 N ATOM 975 CA ILE A 59 26.564 17.646 -1.613 1.00 55.14 C ATOM 976 C ILE A 59 26.551 17.786 -0.095 1.00 23.41 C ATOM 977 O ILE A 59 26.925 18.827 0.447 1.00 31.30 O ATOM 978 CB ILE A 59 25.241 18.196 -2.179 1.00 12.21 C ATOM 979 CG1 ILE A 59 24.052 17.437 -1.585 1.00 43.31 C ATOM 980 CG2 ILE A 59 25.233 18.099 -3.697 1.00 51.32 C ATOM 981 CD1 ILE A 59 22.710 17.962 -2.045 1.00 31.24 C ATOM 0 H ILE A 59 26.042 15.873 -2.602 1.00 62.41 H new ATOM 0 HA ILE A 59 27.393 18.224 -2.021 1.00 55.14 H new ATOM 0 HB ILE A 59 25.153 19.246 -1.901 1.00 12.21 H new ATOM 0 HG12 ILE A 59 24.133 16.384 -1.854 1.00 43.31 H new ATOM 0 HG13 ILE A 59 24.102 17.493 -0.498 1.00 43.31 H new ATOM 0 HG21 ILE A 59 24.292 18.491 -4.082 1.00 51.32 H new ATOM 0 HG22 ILE A 59 26.061 18.680 -4.103 1.00 51.32 H new ATOM 0 HG23 ILE A 59 25.340 17.056 -3.996 1.00 51.32 H new ATOM 0 HD11 ILE A 59 21.913 17.377 -1.585 1.00 31.24 H new ATOM 0 HD12 ILE A 59 22.608 19.007 -1.753 1.00 31.24 H new ATOM 0 HD13 ILE A 59 22.640 17.880 -3.130 1.00 31.24 H new ATOM 993 N LEU A 60 26.121 16.730 0.587 1.00 22.10 N ATOM 994 CA LEU A 60 26.062 16.733 2.045 1.00 70.13 C ATOM 995 C LEU A 60 27.454 16.901 2.646 1.00 53.22 C ATOM 996 O LEU A 60 27.659 17.720 3.542 1.00 52.21 O ATOM 997 CB LEU A 60 25.428 15.436 2.552 1.00 44.14 C ATOM 998 CG LEU A 60 23.900 15.384 2.533 1.00 63.43 C ATOM 999 CD1 LEU A 60 23.406 14.041 3.050 1.00 50.53 C ATOM 1000 CD2 LEU A 60 23.317 16.522 3.357 1.00 43.21 C ATOM 0 H LEU A 60 25.808 15.861 0.154 1.00 22.10 H new ATOM 0 HA LEU A 60 25.447 17.577 2.358 1.00 70.13 H new ATOM 0 HB2 LEU A 60 25.807 14.610 1.950 1.00 44.14 H new ATOM 0 HB3 LEU A 60 25.765 15.266 3.575 1.00 44.14 H new ATOM 0 HG LEU A 60 23.564 15.500 1.503 1.00 63.43 H new ATOM 0 HD11 LEU A 60 22.316 14.022 3.029 1.00 50.53 H new ATOM 0 HD12 LEU A 60 23.795 13.242 2.418 1.00 50.53 H new ATOM 0 HD13 LEU A 60 23.752 13.895 4.073 1.00 50.53 H new ATOM 0 HD21 LEU A 60 22.229 16.469 3.332 1.00 43.21 H new ATOM 0 HD22 LEU A 60 23.661 16.438 4.388 1.00 43.21 H new ATOM 0 HD23 LEU A 60 23.643 17.476 2.942 1.00 43.21 H new ATOM 1012 N ASP A 61 28.407 16.123 2.146 1.00 74.55 N ATOM 1013 CA ASP A 61 29.780 16.188 2.631 1.00 63.54 C ATOM 1014 C ASP A 61 30.347 17.595 2.471 1.00 70.21 C ATOM 1015 O ASP A 61 31.246 18.000 3.208 1.00 41.21 O ATOM 1016 CB ASP A 61 30.657 15.183 1.881 1.00 53.25 C ATOM 1017 CG ASP A 61 31.936 14.860 2.627 1.00 32.03 C ATOM 1018 OD1 ASP A 61 31.927 13.909 3.437 1.00 74.44 O ATOM 1019 OD2 ASP A 61 32.946 15.558 2.402 1.00 64.32 O ATOM 0 H ASP A 61 28.254 15.440 1.405 1.00 74.55 H new ATOM 0 HA ASP A 61 29.777 15.935 3.691 1.00 63.54 H new ATOM 0 HB2 ASP A 61 30.093 14.264 1.718 1.00 53.25 H new ATOM 0 HB3 ASP A 61 30.905 15.584 0.898 1.00 53.25 H new ATOM 1024 N TYR A 62 29.816 18.334 1.504 1.00 41.44 N ATOM 1025 CA TYR A 62 30.271 19.695 1.245 1.00 44.13 C ATOM 1026 C TYR A 62 29.537 20.694 2.134 1.00 72.13 C ATOM 1027 O TYR A 62 30.073 21.747 2.479 1.00 51.41 O ATOM 1028 CB TYR A 62 30.061 20.054 -0.227 1.00 53.42 C ATOM 1029 CG TYR A 62 30.078 21.542 -0.496 1.00 14.23 C ATOM 1030 CD1 TYR A 62 31.250 22.277 -0.373 1.00 42.21 C ATOM 1031 CD2 TYR A 62 28.921 22.213 -0.873 1.00 74.12 C ATOM 1032 CE1 TYR A 62 31.270 23.637 -0.617 1.00 31.22 C ATOM 1033 CE2 TYR A 62 28.931 23.572 -1.120 1.00 43.13 C ATOM 1034 CZ TYR A 62 30.108 24.280 -0.990 1.00 61.43 C ATOM 1035 OH TYR A 62 30.124 25.634 -1.235 1.00 72.43 O ATOM 0 H TYR A 62 29.070 18.014 0.886 1.00 41.44 H new ATOM 0 HA TYR A 62 31.335 19.745 1.476 1.00 44.13 H new ATOM 0 HB2 TYR A 62 30.839 19.577 -0.823 1.00 53.42 H new ATOM 0 HB3 TYR A 62 29.107 19.644 -0.560 1.00 53.42 H new ATOM 0 HD1 TYR A 62 32.162 21.777 -0.082 1.00 42.21 H new ATOM 0 HD2 TYR A 62 27.998 21.662 -0.975 1.00 74.12 H new ATOM 0 HE1 TYR A 62 32.190 24.193 -0.516 1.00 31.22 H new ATOM 0 HE2 TYR A 62 28.023 24.077 -1.413 1.00 43.13 H new ATOM 0 HH TYR A 62 29.225 25.931 -1.488 1.00 72.43 H new ATOM 1045 N HIS A 63 28.305 20.354 2.502 1.00 43.52 N ATOM 1046 CA HIS A 63 27.496 21.220 3.352 1.00 33.11 C ATOM 1047 C HIS A 63 28.096 21.323 4.751 1.00 71.30 C ATOM 1048 O HIS A 63 27.877 22.304 5.462 1.00 43.15 O ATOM 1049 CB HIS A 63 26.063 20.692 3.437 1.00 63.25 C ATOM 1050 CG HIS A 63 25.370 20.625 2.110 1.00 25.34 C ATOM 1051 ND1 HIS A 63 24.339 19.750 1.844 1.00 73.43 N ATOM 1052 CD2 HIS A 63 25.566 21.332 0.973 1.00 74.22 C ATOM 1053 CE1 HIS A 63 23.930 19.920 0.599 1.00 3.10 C ATOM 1054 NE2 HIS A 63 24.658 20.875 0.049 1.00 64.13 N ATOM 0 H HIS A 63 27.846 19.486 2.225 1.00 43.52 H new ATOM 0 HA HIS A 63 27.483 22.215 2.907 1.00 33.11 H new ATOM 0 HB2 HIS A 63 26.077 19.697 3.881 1.00 63.25 H new ATOM 0 HB3 HIS A 63 25.488 21.332 4.106 1.00 63.25 H new ATOM 0 HD2 HIS A 63 26.299 22.110 0.820 1.00 74.22 H new ATOM 0 HE1 HIS A 63 23.136 19.372 0.114 1.00 3.10 H new ATOM 0 HE2 HIS A 63 24.562 21.218 -0.907 1.00 64.13 H new ATOM 1062 N LYS A 64 28.853 20.303 5.141 1.00 30.20 N ATOM 1063 CA LYS A 64 29.486 20.277 6.454 1.00 13.44 C ATOM 1064 C LYS A 64 30.804 21.045 6.438 1.00 33.14 C ATOM 1065 O LYS A 64 31.247 21.558 7.466 1.00 73.11 O ATOM 1066 CB LYS A 64 29.730 18.833 6.898 1.00 54.11 C ATOM 1067 CG LYS A 64 28.872 18.406 8.077 1.00 64.23 C ATOM 1068 CD LYS A 64 29.725 17.966 9.256 1.00 54.35 C ATOM 1069 CE LYS A 64 30.149 16.512 9.125 1.00 61.43 C ATOM 1070 NZ LYS A 64 29.821 15.726 10.346 1.00 30.05 N ATOM 0 H LYS A 64 29.043 19.483 4.566 1.00 30.20 H new ATOM 0 HA LYS A 64 28.813 20.759 7.163 1.00 13.44 H new ATOM 0 HB2 LYS A 64 29.536 18.166 6.058 1.00 54.11 H new ATOM 0 HB3 LYS A 64 30.781 18.716 7.163 1.00 54.11 H new ATOM 0 HG2 LYS A 64 28.230 19.233 8.380 1.00 64.23 H new ATOM 0 HG3 LYS A 64 28.217 17.588 7.775 1.00 64.23 H new ATOM 0 HD2 LYS A 64 30.610 18.599 9.323 1.00 54.35 H new ATOM 0 HD3 LYS A 64 29.166 18.101 10.182 1.00 54.35 H new ATOM 0 HE2 LYS A 64 29.654 16.066 8.262 1.00 61.43 H new ATOM 0 HE3 LYS A 64 31.222 16.462 8.938 1.00 61.43 H new ATOM 0 HZ1 LYS A 64 30.126 14.740 10.217 1.00 30.05 H new ATOM 0 HZ2 LYS A 64 30.313 16.136 11.165 1.00 30.05 H new ATOM 0 HZ3 LYS A 64 28.794 15.752 10.510 1.00 30.05 H new ATOM 1084 N SER A 65 31.425 21.121 5.266 1.00 60.52 N ATOM 1085 CA SER A 65 32.694 21.824 5.117 1.00 72.41 C ATOM 1086 C SER A 65 32.528 23.312 5.411 1.00 61.44 C ATOM 1087 O SER A 65 33.239 23.874 6.244 1.00 21.43 O ATOM 1088 CB SER A 65 33.246 21.630 3.703 1.00 31.33 C ATOM 1089 OG SER A 65 33.475 20.258 3.429 1.00 52.40 O ATOM 0 H SER A 65 31.070 20.704 4.405 1.00 60.52 H new ATOM 0 HA SER A 65 33.400 21.406 5.835 1.00 72.41 H new ATOM 0 HB2 SER A 65 32.543 22.037 2.976 1.00 31.33 H new ATOM 0 HB3 SER A 65 34.177 22.186 3.593 1.00 31.33 H new ATOM 0 HG SER A 65 32.618 19.785 3.386 1.00 52.40 H new ATOM 1095 N ILE A 66 31.585 23.943 4.720 1.00 70.02 N ATOM 1096 CA ILE A 66 31.325 25.365 4.907 1.00 74.13 C ATOM 1097 C ILE A 66 30.385 25.602 6.085 1.00 65.35 C ATOM 1098 O ILE A 66 30.100 26.744 6.444 1.00 74.03 O ATOM 1099 CB ILE A 66 30.713 25.996 3.642 1.00 11.20 C ATOM 1100 CG1 ILE A 66 29.198 25.782 3.620 1.00 21.21 C ATOM 1101 CG2 ILE A 66 31.355 25.409 2.394 1.00 55.23 C ATOM 1102 CD1 ILE A 66 28.794 24.324 3.598 1.00 4.25 C ATOM 0 H ILE A 66 30.989 23.492 4.026 1.00 70.02 H new ATOM 0 HA ILE A 66 32.286 25.837 5.111 1.00 74.13 H new ATOM 0 HB ILE A 66 30.909 27.068 3.658 1.00 11.20 H new ATOM 0 HG12 ILE A 66 28.759 26.259 4.496 1.00 21.21 H new ATOM 0 HG13 ILE A 66 28.782 26.279 2.744 1.00 21.21 H new ATOM 0 HG21 ILE A 66 30.912 25.865 1.508 1.00 55.23 H new ATOM 0 HG22 ILE A 66 32.426 25.609 2.408 1.00 55.23 H new ATOM 0 HG23 ILE A 66 31.187 24.332 2.371 1.00 55.23 H new ATOM 0 HD11 ILE A 66 27.707 24.248 3.583 1.00 4.25 H new ATOM 0 HD12 ILE A 66 29.203 23.846 2.708 1.00 4.25 H new ATOM 0 HD13 ILE A 66 29.180 23.826 4.487 1.00 4.25 H new ATOM 1114 N ARG A 67 29.910 24.514 6.683 1.00 40.50 N ATOM 1115 CA ARG A 67 29.003 24.604 7.821 1.00 24.42 C ATOM 1116 C ARG A 67 29.559 25.545 8.886 1.00 34.11 C ATOM 1117 O ARG A 67 28.809 26.269 9.541 1.00 12.34 O ATOM 1118 CB ARG A 67 28.769 23.217 8.423 1.00 32.13 C ATOM 1119 CG ARG A 67 27.917 23.236 9.682 1.00 72.42 C ATOM 1120 CD ARG A 67 26.503 23.715 9.391 1.00 63.24 C ATOM 1121 NE ARG A 67 25.729 23.910 10.613 1.00 12.42 N ATOM 1122 CZ ARG A 67 24.412 24.086 10.629 1.00 22.20 C ATOM 1123 NH1 ARG A 67 23.727 24.089 9.494 1.00 51.50 N ATOM 1124 NH2 ARG A 67 23.778 24.257 11.782 1.00 2.40 N ATOM 0 H ARG A 67 30.138 23.561 6.399 1.00 40.50 H new ATOM 0 HA ARG A 67 28.053 25.005 7.467 1.00 24.42 H new ATOM 0 HB2 ARG A 67 28.288 22.583 7.678 1.00 32.13 H new ATOM 0 HB3 ARG A 67 29.733 22.763 8.653 1.00 32.13 H new ATOM 0 HG2 ARG A 67 27.882 22.236 10.114 1.00 72.42 H new ATOM 0 HG3 ARG A 67 28.378 23.888 10.424 1.00 72.42 H new ATOM 0 HD2 ARG A 67 26.545 24.652 8.835 1.00 63.24 H new ATOM 0 HD3 ARG A 67 25.998 22.989 8.754 1.00 63.24 H new ATOM 0 HE ARG A 67 26.226 23.911 11.504 1.00 12.42 H new ATOM 0 HH11 ARG A 67 24.211 23.956 8.606 1.00 51.50 H new ATOM 0 HH12 ARG A 67 22.716 24.224 9.509 1.00 51.50 H new ATOM 0 HH21 ARG A 67 24.302 24.253 12.657 1.00 2.40 H new ATOM 0 HH22 ARG A 67 22.767 24.392 11.793 1.00 2.40 H new ATOM 1138 N HIS A 68 30.877 25.529 9.054 1.00 62.43 N ATOM 1139 CA HIS A 68 31.533 26.381 10.039 1.00 22.31 C ATOM 1140 C HIS A 68 31.106 27.836 9.870 1.00 71.43 C ATOM 1141 O HIS A 68 31.005 28.581 10.845 1.00 51.53 O ATOM 1142 CB HIS A 68 33.053 26.265 9.913 1.00 14.45 C ATOM 1143 CG HIS A 68 33.686 25.470 11.013 1.00 71.40 C ATOM 1144 ND1 HIS A 68 33.451 25.713 12.350 1.00 74.03 N ATOM 1145 CD2 HIS A 68 34.549 24.428 10.968 1.00 42.10 C ATOM 1146 CE1 HIS A 68 34.143 24.857 13.079 1.00 23.24 C ATOM 1147 NE2 HIS A 68 34.818 24.066 12.265 1.00 61.21 N ATOM 0 H HIS A 68 31.512 24.935 8.521 1.00 62.43 H new ATOM 0 HA HIS A 68 31.231 26.046 11.031 1.00 22.31 H new ATOM 0 HB2 HIS A 68 33.296 25.803 8.956 1.00 14.45 H new ATOM 0 HB3 HIS A 68 33.486 27.265 9.903 1.00 14.45 H new ATOM 0 HD2 HIS A 68 34.951 23.967 10.078 1.00 42.10 H new ATOM 0 HE1 HIS A 68 34.155 24.811 14.158 1.00 23.24 H new ATOM 0 HE2 HIS A 68 35.438 23.309 12.553 1.00 61.21 H new ATOM 1155 N LEU A 69 30.857 28.233 8.627 1.00 60.12 N ATOM 1156 CA LEU A 69 30.441 29.599 8.329 1.00 1.21 C ATOM 1157 C LEU A 69 28.947 29.780 8.577 1.00 71.34 C ATOM 1158 O LEU A 69 28.506 30.835 9.031 1.00 1.42 O ATOM 1159 CB LEU A 69 30.775 29.950 6.878 1.00 4.43 C ATOM 1160 CG LEU A 69 32.247 29.830 6.481 1.00 71.25 C ATOM 1161 CD1 LEU A 69 32.375 29.525 4.996 1.00 4.01 C ATOM 1162 CD2 LEU A 69 33.001 31.104 6.832 1.00 14.23 C ATOM 0 H LEU A 69 30.936 27.628 7.809 1.00 60.12 H new ATOM 0 HA LEU A 69 30.985 30.271 8.993 1.00 1.21 H new ATOM 0 HB2 LEU A 69 30.189 29.304 6.225 1.00 4.43 H new ATOM 0 HB3 LEU A 69 30.450 30.973 6.689 1.00 4.43 H new ATOM 0 HG LEU A 69 32.688 29.005 7.041 1.00 71.25 H new ATOM 0 HD11 LEU A 69 33.429 29.443 4.731 1.00 4.01 H new ATOM 0 HD12 LEU A 69 31.871 28.585 4.773 1.00 4.01 H new ATOM 0 HD13 LEU A 69 31.917 30.328 4.419 1.00 4.01 H new ATOM 0 HD21 LEU A 69 34.047 31.000 6.542 1.00 14.23 H new ATOM 0 HD22 LEU A 69 32.559 31.947 6.300 1.00 14.23 H new ATOM 0 HD23 LEU A 69 32.938 31.280 7.906 1.00 14.23 H new ATOM 1174 N ARG A 70 28.173 28.742 8.277 1.00 60.35 N ATOM 1175 CA ARG A 70 26.728 28.785 8.467 1.00 3.53 C ATOM 1176 C ARG A 70 26.377 28.812 9.952 1.00 74.31 C ATOM 1177 O ARG A 70 25.320 29.308 10.341 1.00 4.04 O ATOM 1178 CB ARG A 70 26.067 27.580 7.797 1.00 62.21 C ATOM 1179 CG ARG A 70 26.589 27.300 6.397 1.00 74.40 C ATOM 1180 CD ARG A 70 25.749 26.247 5.690 1.00 52.31 C ATOM 1181 NE ARG A 70 24.338 26.619 5.635 1.00 14.23 N ATOM 1182 CZ ARG A 70 23.854 27.549 4.819 1.00 74.41 C ATOM 1183 NH1 ARG A 70 24.663 28.197 3.993 1.00 61.54 N ATOM 1184 NH2 ARG A 70 22.557 27.831 4.828 1.00 42.14 N ATOM 0 H ARG A 70 28.523 27.861 7.901 1.00 60.35 H new ATOM 0 HA ARG A 70 26.353 29.698 8.005 1.00 3.53 H new ATOM 0 HB2 ARG A 70 26.225 26.698 8.418 1.00 62.21 H new ATOM 0 HB3 ARG A 70 24.991 27.747 7.748 1.00 62.21 H new ATOM 0 HG2 ARG A 70 26.585 28.221 5.815 1.00 74.40 H new ATOM 0 HG3 ARG A 70 27.624 26.963 6.454 1.00 74.40 H new ATOM 0 HD2 ARG A 70 26.126 26.103 4.677 1.00 52.31 H new ATOM 0 HD3 ARG A 70 25.853 25.293 6.207 1.00 52.31 H new ATOM 0 HE ARG A 70 23.688 26.138 6.257 1.00 14.23 H new ATOM 0 HH11 ARG A 70 25.660 27.982 3.983 1.00 61.54 H new ATOM 0 HH12 ARG A 70 24.289 28.911 3.368 1.00 61.54 H new ATOM 0 HH21 ARG A 70 21.931 27.334 5.462 1.00 42.14 H new ATOM 0 HH22 ARG A 70 22.186 28.545 4.201 1.00 42.14 H new