USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 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= 0.184 USER MOD Set 1.2: A 36 THR OG1 : rot 87:sc= 0.194 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 19:sc= -1.32 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 148:sc= -0.22 (180deg=-1.11) USER MOD Single : A 15 TYR OH : rot -149:sc= -0.545 USER MOD Single : A 19 THR OG1 : rot -136:sc= 0.976 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -147:sc= -0.157 (180deg=-0.847) USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00827 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= -9.64! C(o=-9.6!,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -69:sc= 1.25 USER MOD Single : A 49 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.8!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -6.63! C(o=-6.6!,f=-9.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 68 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=-0.0091) USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 6 7.216 5.867 -5.132 1.00 62.21 N ATOM 88 CA LYS A 6 8.566 5.688 -5.654 1.00 53.24 C ATOM 89 C LYS A 6 8.851 6.681 -6.776 1.00 52.44 C ATOM 90 O LYS A 6 10.002 7.037 -7.025 1.00 24.44 O ATOM 91 CB LYS A 6 8.752 4.258 -6.166 1.00 32.24 C ATOM 92 CG LYS A 6 8.382 4.082 -7.628 1.00 63.33 C ATOM 93 CD LYS A 6 9.583 4.291 -8.536 1.00 10.13 C ATOM 94 CE LYS A 6 9.846 3.070 -9.403 1.00 71.40 C ATOM 95 NZ LYS A 6 9.197 3.187 -10.738 1.00 40.22 N ATOM 0 HA LYS A 6 9.270 5.871 -4.842 1.00 53.24 H new ATOM 0 HB2 LYS A 6 9.792 3.963 -6.025 1.00 32.24 H new ATOM 0 HB3 LYS A 6 8.145 3.583 -5.563 1.00 32.24 H new ATOM 0 HG2 LYS A 6 7.976 3.082 -7.784 1.00 63.33 H new ATOM 0 HG3 LYS A 6 7.597 4.790 -7.893 1.00 63.33 H new ATOM 0 HD2 LYS A 6 9.413 5.160 -9.172 1.00 10.13 H new ATOM 0 HD3 LYS A 6 10.464 4.506 -7.932 1.00 10.13 H new ATOM 0 HE2 LYS A 6 10.921 2.941 -9.532 1.00 71.40 H new ATOM 0 HE3 LYS A 6 9.476 2.179 -8.896 1.00 71.40 H new ATOM 0 HZ1 LYS A 6 9.400 2.335 -11.299 1.00 40.22 H new ATOM 0 HZ2 LYS A 6 8.169 3.285 -10.617 1.00 40.22 H new ATOM 0 HZ3 LYS A 6 9.568 4.023 -11.232 1.00 40.22 H new ATOM 109 N GLU A 7 7.794 7.126 -7.450 1.00 2.24 N ATOM 110 CA GLU A 7 7.933 8.079 -8.545 1.00 12.25 C ATOM 111 C GLU A 7 8.024 9.507 -8.015 1.00 13.45 C ATOM 112 O GLU A 7 8.572 10.391 -8.673 1.00 54.42 O ATOM 113 CB GLU A 7 6.752 7.956 -9.510 1.00 1.01 C ATOM 114 CG GLU A 7 6.405 6.520 -9.867 1.00 11.43 C ATOM 115 CD GLU A 7 5.797 6.394 -11.250 1.00 65.23 C ATOM 116 OE1 GLU A 7 4.790 7.080 -11.522 1.00 3.01 O ATOM 117 OE2 GLU A 7 6.330 5.608 -12.062 1.00 23.23 O ATOM 0 H GLU A 7 6.834 6.842 -7.257 1.00 2.24 H new ATOM 0 HA GLU A 7 8.855 7.848 -9.079 1.00 12.25 H new ATOM 0 HB2 GLU A 7 5.878 8.432 -9.065 1.00 1.01 H new ATOM 0 HB3 GLU A 7 6.982 8.503 -10.424 1.00 1.01 H new ATOM 0 HG2 GLU A 7 7.306 5.908 -9.813 1.00 11.43 H new ATOM 0 HG3 GLU A 7 5.706 6.125 -9.130 1.00 11.43 H new ATOM 124 N ARG A 8 7.482 9.725 -6.821 1.00 20.35 N ATOM 125 CA ARG A 8 7.500 11.045 -6.202 1.00 70.13 C ATOM 126 C ARG A 8 8.932 11.511 -5.956 1.00 61.43 C ATOM 127 O ARG A 8 9.229 12.704 -6.022 1.00 11.01 O ATOM 128 CB ARG A 8 6.725 11.024 -4.883 1.00 43.43 C ATOM 129 CG ARG A 8 6.630 12.385 -4.212 1.00 32.42 C ATOM 130 CD ARG A 8 5.275 12.586 -3.551 1.00 71.23 C ATOM 131 NE ARG A 8 4.572 13.749 -4.087 1.00 22.32 N ATOM 132 CZ ARG A 8 3.428 14.208 -3.592 1.00 71.14 C ATOM 133 NH1 ARG A 8 2.861 13.606 -2.556 1.00 74.12 N ATOM 134 NH2 ARG A 8 2.849 15.272 -4.134 1.00 61.23 N ATOM 0 H ARG A 8 7.025 9.004 -6.263 1.00 20.35 H new ATOM 0 HA ARG A 8 7.021 11.746 -6.886 1.00 70.13 H new ATOM 0 HB2 ARG A 8 5.719 10.648 -5.068 1.00 43.43 H new ATOM 0 HB3 ARG A 8 7.206 10.324 -4.200 1.00 43.43 H new ATOM 0 HG2 ARG A 8 7.418 12.480 -3.465 1.00 32.42 H new ATOM 0 HG3 ARG A 8 6.796 13.169 -4.951 1.00 32.42 H new ATOM 0 HD2 ARG A 8 4.665 11.695 -3.697 1.00 71.23 H new ATOM 0 HD3 ARG A 8 5.410 12.708 -2.476 1.00 71.23 H new ATOM 0 HE ARG A 8 4.982 14.235 -4.885 1.00 22.32 H new ATOM 0 HH11 ARG A 8 3.303 12.788 -2.137 1.00 74.12 H new ATOM 0 HH12 ARG A 8 1.983 13.961 -2.178 1.00 74.12 H new ATOM 0 HH21 ARG A 8 3.282 15.738 -4.931 1.00 61.23 H new ATOM 0 HH22 ARG A 8 1.971 15.624 -3.753 1.00 61.23 H new ATOM 148 N THR A 9 9.817 10.560 -5.672 1.00 4.40 N ATOM 149 CA THR A 9 11.218 10.873 -5.414 1.00 75.44 C ATOM 150 C THR A 9 11.993 11.036 -6.717 1.00 20.14 C ATOM 151 O THR A 9 12.996 11.749 -6.767 1.00 72.23 O ATOM 152 CB THR A 9 11.890 9.779 -4.564 1.00 33.44 C ATOM 153 OG1 THR A 9 13.279 10.078 -4.390 1.00 23.41 O ATOM 154 CG2 THR A 9 11.737 8.414 -5.218 1.00 65.14 C ATOM 0 H THR A 9 9.589 9.567 -5.615 1.00 4.40 H new ATOM 0 HA THR A 9 11.236 11.813 -4.863 1.00 75.44 H new ATOM 0 HB THR A 9 11.400 9.754 -3.591 1.00 33.44 H new ATOM 0 HG1 THR A 9 13.435 11.027 -4.576 1.00 23.41 H new ATOM 0 HG21 THR A 9 12.220 7.658 -4.599 1.00 65.14 H new ATOM 0 HG22 THR A 9 10.678 8.177 -5.321 1.00 65.14 H new ATOM 0 HG23 THR A 9 12.203 8.428 -6.203 1.00 65.14 H new ATOM 162 N ILE A 10 11.523 10.372 -7.767 1.00 55.31 N ATOM 163 CA ILE A 10 12.172 10.446 -9.070 1.00 52.10 C ATOM 164 C ILE A 10 12.401 11.894 -9.489 1.00 12.41 C ATOM 165 O ILE A 10 13.486 12.257 -9.945 1.00 34.33 O ATOM 166 CB ILE A 10 11.341 9.735 -10.154 1.00 54.33 C ATOM 167 CG1 ILE A 10 11.353 8.222 -9.927 1.00 44.25 C ATOM 168 CG2 ILE A 10 11.875 10.073 -11.538 1.00 41.40 C ATOM 169 CD1 ILE A 10 12.730 7.605 -10.043 1.00 52.51 C ATOM 0 H ILE A 10 10.695 9.777 -7.741 1.00 55.31 H new ATOM 0 HA ILE A 10 13.134 9.942 -8.972 1.00 52.10 H new ATOM 0 HB ILE A 10 10.311 10.085 -10.088 1.00 54.33 H new ATOM 0 HG12 ILE A 10 10.950 8.008 -8.937 1.00 44.25 H new ATOM 0 HG13 ILE A 10 10.689 7.749 -10.651 1.00 44.25 H new ATOM 0 HG21 ILE A 10 11.277 9.563 -12.293 1.00 41.40 H new ATOM 0 HG22 ILE A 10 11.818 11.150 -11.697 1.00 41.40 H new ATOM 0 HG23 ILE A 10 12.913 9.749 -11.617 1.00 41.40 H new ATOM 0 HD11 ILE A 10 12.663 6.531 -9.870 1.00 52.51 H new ATOM 0 HD12 ILE A 10 13.128 7.788 -11.041 1.00 52.51 H new ATOM 0 HD13 ILE A 10 13.392 8.051 -9.301 1.00 52.51 H new ATOM 181 N LYS A 11 11.372 12.720 -9.330 1.00 2.24 N ATOM 182 CA LYS A 11 11.460 14.131 -9.688 1.00 23.13 C ATOM 183 C LYS A 11 12.547 14.831 -8.878 1.00 60.10 C ATOM 184 O LYS A 11 13.300 15.648 -9.409 1.00 23.42 O ATOM 185 CB LYS A 11 10.114 14.821 -9.459 1.00 0.54 C ATOM 186 CG LYS A 11 8.931 14.049 -10.016 1.00 63.25 C ATOM 187 CD LYS A 11 7.637 14.833 -9.878 1.00 3.22 C ATOM 188 CE LYS A 11 6.485 14.137 -10.585 1.00 32.41 C ATOM 189 NZ LYS A 11 5.296 15.024 -10.714 1.00 72.20 N ATOM 0 H LYS A 11 10.467 12.436 -8.955 1.00 2.24 H new ATOM 0 HA LYS A 11 11.720 14.197 -10.745 1.00 23.13 H new ATOM 0 HB2 LYS A 11 9.969 14.969 -8.389 1.00 0.54 H new ATOM 0 HB3 LYS A 11 10.140 15.810 -9.917 1.00 0.54 H new ATOM 0 HG2 LYS A 11 9.108 13.819 -11.067 1.00 63.25 H new ATOM 0 HG3 LYS A 11 8.838 13.097 -9.493 1.00 63.25 H new ATOM 0 HD2 LYS A 11 7.396 14.956 -8.822 1.00 3.22 H new ATOM 0 HD3 LYS A 11 7.770 15.832 -10.293 1.00 3.22 H new ATOM 0 HE2 LYS A 11 6.808 13.816 -11.575 1.00 32.41 H new ATOM 0 HE3 LYS A 11 6.210 13.239 -10.033 1.00 32.41 H new ATOM 0 HZ1 LYS A 11 4.533 14.513 -11.201 1.00 72.20 H new ATOM 0 HZ2 LYS A 11 4.972 15.310 -9.768 1.00 72.20 H new ATOM 0 HZ3 LYS A 11 5.552 15.870 -11.263 1.00 72.20 H new ATOM 203 N ILE A 12 12.623 14.505 -7.592 1.00 61.22 N ATOM 204 CA ILE A 12 13.620 15.101 -6.711 1.00 75.11 C ATOM 205 C ILE A 12 15.029 14.678 -7.110 1.00 43.11 C ATOM 206 O ILE A 12 15.884 15.517 -7.390 1.00 43.04 O ATOM 207 CB ILE A 12 13.376 14.712 -5.241 1.00 32.10 C ATOM 208 CG1 ILE A 12 11.966 15.121 -4.810 1.00 31.15 C ATOM 209 CG2 ILE A 12 14.419 15.358 -4.342 1.00 42.41 C ATOM 210 CD1 ILE A 12 11.636 14.739 -3.384 1.00 33.33 C ATOM 0 H ILE A 12 12.006 13.832 -7.137 1.00 61.22 H new ATOM 0 HA ILE A 12 13.526 16.182 -6.813 1.00 75.11 H new ATOM 0 HB ILE A 12 13.465 13.630 -5.147 1.00 32.10 H new ATOM 0 HG12 ILE A 12 11.859 16.200 -4.923 1.00 31.15 H new ATOM 0 HG13 ILE A 12 11.241 14.657 -5.479 1.00 31.15 H new ATOM 0 HG21 ILE A 12 14.233 15.074 -3.306 1.00 42.41 H new ATOM 0 HG22 ILE A 12 15.413 15.022 -4.638 1.00 42.41 H new ATOM 0 HG23 ILE A 12 14.360 16.442 -4.437 1.00 42.41 H new ATOM 0 HD11 ILE A 12 10.622 15.060 -3.147 1.00 33.33 H new ATOM 0 HD12 ILE A 12 11.711 13.658 -3.270 1.00 33.33 H new ATOM 0 HD13 ILE A 12 12.338 15.224 -2.706 1.00 33.33 H new ATOM 222 N GLY A 13 15.264 13.370 -7.135 1.00 63.41 N ATOM 223 CA GLY A 13 16.571 12.858 -7.503 1.00 24.52 C ATOM 224 C GLY A 13 17.027 13.353 -8.861 1.00 3.22 C ATOM 225 O GLY A 13 18.224 13.508 -9.104 1.00 62.13 O ATOM 0 H GLY A 13 14.573 12.656 -6.907 1.00 63.41 H new ATOM 0 HA2 GLY A 13 17.299 13.155 -6.748 1.00 24.52 H new ATOM 0 HA3 GLY A 13 16.543 11.768 -7.508 1.00 24.52 H new ATOM 229 N LYS A 14 16.071 13.602 -9.750 1.00 24.25 N ATOM 230 CA LYS A 14 16.380 14.082 -11.091 1.00 54.32 C ATOM 231 C LYS A 14 16.511 15.602 -11.108 1.00 71.10 C ATOM 232 O LYS A 14 17.177 16.167 -11.976 1.00 12.54 O ATOM 233 CB LYS A 14 15.293 13.643 -12.075 1.00 33.22 C ATOM 234 CG LYS A 14 15.204 12.137 -12.250 1.00 61.33 C ATOM 235 CD LYS A 14 15.652 11.710 -13.638 1.00 72.31 C ATOM 236 CE LYS A 14 15.101 10.340 -14.004 1.00 62.05 C ATOM 237 NZ LYS A 14 16.151 9.458 -14.585 1.00 72.45 N ATOM 0 H LYS A 14 15.075 13.479 -9.565 1.00 24.25 H new ATOM 0 HA LYS A 14 17.333 13.649 -11.394 1.00 54.32 H new ATOM 0 HB2 LYS A 14 14.329 14.018 -11.730 1.00 33.22 H new ATOM 0 HB3 LYS A 14 15.485 14.102 -13.045 1.00 33.22 H new ATOM 0 HG2 LYS A 14 15.823 11.645 -11.499 1.00 61.33 H new ATOM 0 HG3 LYS A 14 14.178 11.810 -12.081 1.00 61.33 H new ATOM 0 HD2 LYS A 14 15.319 12.445 -14.371 1.00 72.31 H new ATOM 0 HD3 LYS A 14 16.741 11.688 -13.680 1.00 72.31 H new ATOM 0 HE2 LYS A 14 14.681 9.868 -13.116 1.00 62.05 H new ATOM 0 HE3 LYS A 14 14.287 10.455 -14.719 1.00 62.05 H new ATOM 0 HZ1 LYS A 14 15.953 8.469 -14.331 1.00 72.45 H new ATOM 0 HZ2 LYS A 14 16.152 9.556 -15.620 1.00 72.45 H new ATOM 0 HZ3 LYS A 14 17.081 9.733 -14.210 1.00 72.45 H new ATOM 251 N TYR A 15 15.874 16.257 -10.144 1.00 74.20 N ATOM 252 CA TYR A 15 15.919 17.711 -10.049 1.00 12.10 C ATOM 253 C TYR A 15 17.203 18.173 -9.368 1.00 24.22 C ATOM 254 O TYR A 15 17.834 19.139 -9.798 1.00 0.34 O ATOM 255 CB TYR A 15 14.704 18.231 -9.278 1.00 23.32 C ATOM 256 CG TYR A 15 14.601 19.739 -9.256 1.00 0.02 C ATOM 257 CD1 TYR A 15 15.343 20.492 -8.354 1.00 52.41 C ATOM 258 CD2 TYR A 15 13.761 20.411 -10.135 1.00 62.34 C ATOM 259 CE1 TYR A 15 15.251 21.871 -8.330 1.00 23.33 C ATOM 260 CE2 TYR A 15 13.665 21.789 -10.119 1.00 75.41 C ATOM 261 CZ TYR A 15 14.411 22.514 -9.214 1.00 43.14 C ATOM 262 OH TYR A 15 14.317 23.887 -9.194 1.00 74.20 O ATOM 0 H TYR A 15 15.320 15.804 -9.417 1.00 74.20 H new ATOM 0 HA TYR A 15 15.900 18.116 -11.061 1.00 12.10 H new ATOM 0 HB2 TYR A 15 13.798 17.820 -9.724 1.00 23.32 H new ATOM 0 HB3 TYR A 15 14.750 17.863 -8.253 1.00 23.32 H new ATOM 0 HD1 TYR A 15 16.002 19.992 -7.660 1.00 52.41 H new ATOM 0 HD2 TYR A 15 13.173 19.846 -10.843 1.00 62.34 H new ATOM 0 HE1 TYR A 15 15.834 22.442 -7.622 1.00 23.33 H new ATOM 0 HE2 TYR A 15 13.009 22.296 -10.812 1.00 75.41 H new ATOM 0 HH TYR A 15 13.415 24.157 -9.466 1.00 74.20 H new ATOM 272 N ILE A 16 17.585 17.475 -8.304 1.00 31.43 N ATOM 273 CA ILE A 16 18.795 17.811 -7.564 1.00 33.15 C ATOM 274 C ILE A 16 19.996 17.926 -8.496 1.00 54.33 C ATOM 275 O ILE A 16 20.877 18.761 -8.291 1.00 20.22 O ATOM 276 CB ILE A 16 19.101 16.762 -6.478 1.00 72.34 C ATOM 277 CG1 ILE A 16 19.521 15.439 -7.122 1.00 24.44 C ATOM 278 CG2 ILE A 16 17.889 16.559 -5.581 1.00 21.00 C ATOM 279 CD1 ILE A 16 21.016 15.311 -7.319 1.00 33.10 C ATOM 0 H ILE A 16 17.074 16.673 -7.935 1.00 31.43 H new ATOM 0 HA ILE A 16 18.615 18.774 -7.087 1.00 33.15 H new ATOM 0 HB ILE A 16 19.926 17.125 -5.864 1.00 72.34 H new ATOM 0 HG12 ILE A 16 19.173 14.615 -6.500 1.00 24.44 H new ATOM 0 HG13 ILE A 16 19.026 15.341 -8.088 1.00 24.44 H new ATOM 0 HG21 ILE A 16 18.121 15.815 -4.819 1.00 21.00 H new ATOM 0 HG22 ILE A 16 17.630 17.502 -5.100 1.00 21.00 H new ATOM 0 HG23 ILE A 16 17.046 16.214 -6.180 1.00 21.00 H new ATOM 0 HD11 ILE A 16 21.241 14.349 -7.780 1.00 33.10 H new ATOM 0 HD12 ILE A 16 21.368 16.115 -7.966 1.00 33.10 H new ATOM 0 HD13 ILE A 16 21.517 15.377 -6.353 1.00 33.10 H new ATOM 291 N VAL A 17 20.023 17.084 -9.524 1.00 71.30 N ATOM 292 CA VAL A 17 21.114 17.093 -10.491 1.00 71.42 C ATOM 293 C VAL A 17 20.856 18.105 -11.602 1.00 33.15 C ATOM 294 O VAL A 17 21.791 18.649 -12.188 1.00 13.12 O ATOM 295 CB VAL A 17 21.320 15.701 -11.118 1.00 32.21 C ATOM 296 CG1 VAL A 17 20.142 15.336 -12.008 1.00 55.42 C ATOM 297 CG2 VAL A 17 22.624 15.657 -11.901 1.00 35.04 C ATOM 0 H VAL A 17 19.302 16.387 -9.709 1.00 71.30 H new ATOM 0 HA VAL A 17 22.016 17.376 -9.948 1.00 71.42 H new ATOM 0 HB VAL A 17 21.379 14.966 -10.315 1.00 32.21 H new ATOM 0 HG11 VAL A 17 20.306 14.350 -12.442 1.00 55.42 H new ATOM 0 HG12 VAL A 17 19.228 15.324 -11.415 1.00 55.42 H new ATOM 0 HG13 VAL A 17 20.047 16.072 -12.806 1.00 55.42 H new ATOM 0 HG21 VAL A 17 22.753 14.666 -12.337 1.00 35.04 H new ATOM 0 HG22 VAL A 17 22.597 16.403 -12.696 1.00 35.04 H new ATOM 0 HG23 VAL A 17 23.458 15.871 -11.232 1.00 35.04 H new ATOM 307 N GLU A 18 19.581 18.352 -11.884 1.00 54.45 N ATOM 308 CA GLU A 18 19.200 19.300 -12.926 1.00 31.34 C ATOM 309 C GLU A 18 19.534 20.729 -12.509 1.00 42.22 C ATOM 310 O GLU A 18 19.873 21.569 -13.344 1.00 75.12 O ATOM 311 CB GLU A 18 17.705 19.182 -13.231 1.00 42.22 C ATOM 312 CG GLU A 18 17.402 18.927 -14.698 1.00 21.50 C ATOM 313 CD GLU A 18 18.183 19.839 -15.623 1.00 5.41 C ATOM 314 OE1 GLU A 18 17.815 21.028 -15.733 1.00 74.43 O ATOM 315 OE2 GLU A 18 19.163 19.366 -16.236 1.00 51.41 O ATOM 0 H GLU A 18 18.795 17.910 -11.407 1.00 54.45 H new ATOM 0 HA GLU A 18 19.767 19.060 -13.825 1.00 31.34 H new ATOM 0 HB2 GLU A 18 17.284 18.372 -12.635 1.00 42.22 H new ATOM 0 HB3 GLU A 18 17.206 20.099 -12.920 1.00 42.22 H new ATOM 0 HG2 GLU A 18 17.633 17.889 -14.938 1.00 21.50 H new ATOM 0 HG3 GLU A 18 16.335 19.065 -14.874 1.00 21.50 H new ATOM 322 N THR A 19 19.436 21.000 -11.211 1.00 64.42 N ATOM 323 CA THR A 19 19.726 22.327 -10.683 1.00 22.41 C ATOM 324 C THR A 19 21.015 22.325 -9.869 1.00 30.11 C ATOM 325 O THR A 19 21.617 23.374 -9.637 1.00 71.34 O ATOM 326 CB THR A 19 18.575 22.843 -9.799 1.00 50.24 C ATOM 327 OG1 THR A 19 18.416 21.995 -8.656 1.00 41.45 O ATOM 328 CG2 THR A 19 17.272 22.895 -10.584 1.00 5.24 C ATOM 0 H THR A 19 19.158 20.317 -10.506 1.00 64.42 H new ATOM 0 HA THR A 19 19.842 22.990 -11.540 1.00 22.41 H new ATOM 0 HB THR A 19 18.823 23.852 -9.470 1.00 50.24 H new ATOM 0 HG1 THR A 19 17.463 21.821 -8.508 1.00 41.45 H new ATOM 0 HG21 THR A 19 16.473 23.262 -9.940 1.00 5.24 H new ATOM 0 HG22 THR A 19 17.387 23.564 -11.436 1.00 5.24 H new ATOM 0 HG23 THR A 19 17.021 21.895 -10.939 1.00 5.24 H new ATOM 336 N LYS A 20 21.435 21.141 -9.437 1.00 32.32 N ATOM 337 CA LYS A 20 22.654 21.001 -8.650 1.00 2.24 C ATOM 338 C LYS A 20 22.535 21.747 -7.324 1.00 75.13 C ATOM 339 O LYS A 20 23.538 22.126 -6.720 1.00 62.32 O ATOM 340 CB LYS A 20 23.857 21.528 -9.436 1.00 73.53 C ATOM 341 CG LYS A 20 23.963 20.956 -10.840 1.00 31.15 C ATOM 342 CD LYS A 20 24.213 19.457 -10.814 1.00 13.42 C ATOM 343 CE LYS A 20 25.541 19.125 -10.152 1.00 43.11 C ATOM 344 NZ LYS A 20 26.443 18.371 -11.066 1.00 71.41 N ATOM 0 H LYS A 20 20.948 20.263 -9.619 1.00 32.32 H new ATOM 0 HA LYS A 20 22.800 19.942 -8.440 1.00 2.24 H new ATOM 0 HB2 LYS A 20 23.792 22.614 -9.499 1.00 73.53 H new ATOM 0 HB3 LYS A 20 24.770 21.295 -8.888 1.00 73.53 H new ATOM 0 HG2 LYS A 20 23.044 21.163 -11.389 1.00 31.15 H new ATOM 0 HG3 LYS A 20 24.773 21.452 -11.376 1.00 31.15 H new ATOM 0 HD2 LYS A 20 23.404 18.961 -10.278 1.00 13.42 H new ATOM 0 HD3 LYS A 20 24.206 19.068 -11.832 1.00 13.42 H new ATOM 0 HE2 LYS A 20 26.031 20.047 -9.838 1.00 43.11 H new ATOM 0 HE3 LYS A 20 25.361 18.537 -9.252 1.00 43.11 H new ATOM 0 HZ1 LYS A 20 27.338 18.164 -10.578 1.00 71.41 H new ATOM 0 HZ2 LYS A 20 25.987 17.479 -11.346 1.00 71.41 H new ATOM 0 HZ3 LYS A 20 26.635 18.943 -11.913 1.00 71.41 H new ATOM 358 N LYS A 21 21.301 21.954 -6.876 1.00 72.53 N ATOM 359 CA LYS A 21 21.049 22.651 -5.621 1.00 0.30 C ATOM 360 C LYS A 21 21.095 21.684 -4.442 1.00 41.33 C ATOM 361 O LYS A 21 21.418 20.507 -4.603 1.00 65.14 O ATOM 362 CB LYS A 21 19.689 23.352 -5.667 1.00 21.31 C ATOM 363 CG LYS A 21 19.787 24.865 -5.750 1.00 51.12 C ATOM 364 CD LYS A 21 19.092 25.401 -6.990 1.00 53.43 C ATOM 365 CE LYS A 21 20.095 25.862 -8.036 1.00 41.24 C ATOM 366 NZ LYS A 21 20.992 26.929 -7.512 1.00 65.23 N ATOM 0 H LYS A 21 20.459 21.648 -7.364 1.00 72.53 H new ATOM 0 HA LYS A 21 21.831 23.398 -5.486 1.00 0.30 H new ATOM 0 HB2 LYS A 21 19.129 22.985 -6.527 1.00 21.31 H new ATOM 0 HB3 LYS A 21 19.120 23.081 -4.778 1.00 21.31 H new ATOM 0 HG2 LYS A 21 19.340 25.309 -4.861 1.00 51.12 H new ATOM 0 HG3 LYS A 21 20.836 25.163 -5.762 1.00 51.12 H new ATOM 0 HD2 LYS A 21 18.453 24.626 -7.414 1.00 53.43 H new ATOM 0 HD3 LYS A 21 18.444 26.233 -6.714 1.00 53.43 H new ATOM 0 HE2 LYS A 21 20.694 25.013 -8.364 1.00 41.24 H new ATOM 0 HE3 LYS A 21 19.562 26.233 -8.911 1.00 41.24 H new ATOM 0 HZ1 LYS A 21 21.242 27.582 -8.282 1.00 65.23 H new ATOM 0 HZ2 LYS A 21 20.504 27.453 -6.758 1.00 65.23 H new ATOM 0 HZ3 LYS A 21 21.858 26.498 -7.129 1.00 65.23 H new ATOM 380 N THR A 22 20.768 22.188 -3.256 1.00 62.11 N ATOM 381 CA THR A 22 20.772 21.369 -2.051 1.00 20.14 C ATOM 382 C THR A 22 19.367 20.886 -1.710 1.00 11.15 C ATOM 383 O THR A 22 18.376 21.454 -2.168 1.00 52.52 O ATOM 384 CB THR A 22 21.343 22.143 -0.847 1.00 72.13 C ATOM 385 OG1 THR A 22 20.381 23.092 -0.374 1.00 74.12 O ATOM 386 CG2 THR A 22 22.628 22.863 -1.227 1.00 61.43 C ATOM 0 H THR A 22 20.497 23.160 -3.105 1.00 62.11 H new ATOM 0 HA THR A 22 21.409 20.509 -2.256 1.00 20.14 H new ATOM 0 HB THR A 22 21.566 21.427 -0.056 1.00 72.13 H new ATOM 0 HG1 THR A 22 20.751 23.578 0.392 1.00 74.12 H new ATOM 0 HG21 THR A 22 23.012 23.402 -0.361 1.00 61.43 H new ATOM 0 HG22 THR A 22 23.368 22.135 -1.559 1.00 61.43 H new ATOM 0 HG23 THR A 22 22.425 23.568 -2.033 1.00 61.43 H new ATOM 394 N VAL A 23 19.288 19.834 -0.901 1.00 14.11 N ATOM 395 CA VAL A 23 18.003 19.276 -0.497 1.00 32.25 C ATOM 396 C VAL A 23 17.086 20.357 0.064 1.00 53.01 C ATOM 397 O VAL A 23 15.862 20.257 -0.029 1.00 42.14 O ATOM 398 CB VAL A 23 18.179 18.169 0.560 1.00 4.34 C ATOM 399 CG1 VAL A 23 18.684 16.889 -0.086 1.00 63.54 C ATOM 400 CG2 VAL A 23 19.124 18.629 1.660 1.00 3.41 C ATOM 0 H VAL A 23 20.098 19.351 -0.513 1.00 14.11 H new ATOM 0 HA VAL A 23 17.550 18.847 -1.391 1.00 32.25 H new ATOM 0 HB VAL A 23 17.208 17.962 1.009 1.00 4.34 H new ATOM 0 HG11 VAL A 23 18.802 16.119 0.676 1.00 63.54 H new ATOM 0 HG12 VAL A 23 17.967 16.552 -0.835 1.00 63.54 H new ATOM 0 HG13 VAL A 23 19.646 17.077 -0.564 1.00 63.54 H new ATOM 0 HG21 VAL A 23 19.237 17.835 2.398 1.00 3.41 H new ATOM 0 HG22 VAL A 23 20.097 18.865 1.229 1.00 3.41 H new ATOM 0 HG23 VAL A 23 18.716 19.517 2.142 1.00 3.41 H new ATOM 410 N ARG A 24 17.685 21.391 0.646 1.00 63.52 N ATOM 411 CA ARG A 24 16.922 22.491 1.222 1.00 23.03 C ATOM 412 C ARG A 24 16.220 23.296 0.132 1.00 24.42 C ATOM 413 O ARG A 24 15.102 23.773 0.321 1.00 14.24 O ATOM 414 CB ARG A 24 17.841 23.406 2.035 1.00 75.30 C ATOM 415 CG ARG A 24 17.145 24.646 2.572 1.00 34.42 C ATOM 416 CD ARG A 24 17.453 25.869 1.724 1.00 43.31 C ATOM 417 NE ARG A 24 16.636 27.019 2.103 1.00 20.43 N ATOM 418 CZ ARG A 24 16.820 27.715 3.219 1.00 3.13 C ATOM 419 NH1 ARG A 24 17.789 27.381 4.061 1.00 73.11 N ATOM 420 NH2 ARG A 24 16.035 28.749 3.495 1.00 62.30 N ATOM 0 H ARG A 24 18.697 21.490 0.731 1.00 63.52 H new ATOM 0 HA ARG A 24 16.164 22.068 1.882 1.00 23.03 H new ATOM 0 HB2 ARG A 24 18.255 22.842 2.870 1.00 75.30 H new ATOM 0 HB3 ARG A 24 18.680 23.712 1.410 1.00 75.30 H new ATOM 0 HG2 ARG A 24 16.068 24.479 2.594 1.00 34.42 H new ATOM 0 HG3 ARG A 24 17.461 24.826 3.600 1.00 34.42 H new ATOM 0 HD2 ARG A 24 18.508 26.124 1.826 1.00 43.31 H new ATOM 0 HD3 ARG A 24 17.282 25.634 0.673 1.00 43.31 H new ATOM 0 HE ARG A 24 15.883 27.303 1.476 1.00 20.43 H new ATOM 0 HH11 ARG A 24 18.395 26.588 3.852 1.00 73.11 H new ATOM 0 HH12 ARG A 24 17.928 27.917 4.917 1.00 73.11 H new ATOM 0 HH21 ARG A 24 15.289 29.010 2.850 1.00 62.30 H new ATOM 0 HH22 ARG A 24 16.177 29.283 4.352 1.00 62.30 H new ATOM 434 N VAL A 25 16.886 23.442 -1.009 1.00 53.23 N ATOM 435 CA VAL A 25 16.326 24.188 -2.130 1.00 1.21 C ATOM 436 C VAL A 25 15.444 23.297 -2.997 1.00 51.54 C ATOM 437 O VAL A 25 14.510 23.773 -3.645 1.00 25.13 O ATOM 438 CB VAL A 25 17.435 24.802 -3.005 1.00 51.21 C ATOM 439 CG1 VAL A 25 16.832 25.541 -4.191 1.00 23.44 C ATOM 440 CG2 VAL A 25 18.313 25.730 -2.179 1.00 32.12 C ATOM 0 H VAL A 25 17.813 23.054 -1.182 1.00 53.23 H new ATOM 0 HA VAL A 25 15.722 24.990 -1.707 1.00 1.21 H new ATOM 0 HB VAL A 25 18.059 23.995 -3.389 1.00 51.21 H new ATOM 0 HG11 VAL A 25 17.630 25.968 -4.798 1.00 23.44 H new ATOM 0 HG12 VAL A 25 16.250 24.845 -4.795 1.00 23.44 H new ATOM 0 HG13 VAL A 25 16.183 26.340 -3.831 1.00 23.44 H new ATOM 0 HG21 VAL A 25 19.091 26.155 -2.813 1.00 32.12 H new ATOM 0 HG22 VAL A 25 17.704 26.533 -1.764 1.00 32.12 H new ATOM 0 HG23 VAL A 25 18.774 25.168 -1.367 1.00 32.12 H new ATOM 450 N ILE A 26 15.745 22.003 -3.005 1.00 44.52 N ATOM 451 CA ILE A 26 14.978 21.046 -3.792 1.00 65.31 C ATOM 452 C ILE A 26 13.697 20.642 -3.071 1.00 1.24 C ATOM 453 O ILE A 26 12.687 20.337 -3.703 1.00 35.22 O ATOM 454 CB ILE A 26 15.802 19.781 -4.098 1.00 61.20 C ATOM 455 CG1 ILE A 26 17.040 20.139 -4.923 1.00 21.13 C ATOM 456 CG2 ILE A 26 14.948 18.757 -4.832 1.00 2.35 C ATOM 457 CD1 ILE A 26 18.325 19.574 -4.359 1.00 45.53 C ATOM 0 H ILE A 26 16.514 21.593 -2.475 1.00 44.52 H new ATOM 0 HA ILE A 26 14.724 21.540 -4.730 1.00 65.31 H new ATOM 0 HB ILE A 26 16.131 19.343 -3.156 1.00 61.20 H new ATOM 0 HG12 ILE A 26 16.907 19.772 -5.941 1.00 21.13 H new ATOM 0 HG13 ILE A 26 17.125 21.224 -4.984 1.00 21.13 H new ATOM 0 HG21 ILE A 26 15.544 17.869 -5.041 1.00 2.35 H new ATOM 0 HG22 ILE A 26 14.095 18.483 -4.212 1.00 2.35 H new ATOM 0 HG23 ILE A 26 14.593 19.185 -5.770 1.00 2.35 H new ATOM 0 HD11 ILE A 26 19.161 19.867 -4.994 1.00 45.53 H new ATOM 0 HD12 ILE A 26 18.481 19.961 -3.352 1.00 45.53 H new ATOM 0 HD13 ILE A 26 18.260 18.487 -4.324 1.00 45.53 H new ATOM 469 N ALA A 27 13.746 20.645 -1.742 1.00 44.25 N ATOM 470 CA ALA A 27 12.589 20.283 -0.934 1.00 54.43 C ATOM 471 C ALA A 27 11.524 21.375 -0.980 1.00 64.41 C ATOM 472 O ALA A 27 10.355 21.105 -1.254 1.00 33.23 O ATOM 473 CB ALA A 27 13.011 20.015 0.503 1.00 51.43 C ATOM 0 H ALA A 27 14.575 20.894 -1.203 1.00 44.25 H new ATOM 0 HA ALA A 27 12.157 19.373 -1.350 1.00 54.43 H new ATOM 0 HB1 ALA A 27 12.136 19.746 1.095 1.00 51.43 H new ATOM 0 HB2 ALA A 27 13.730 19.196 0.524 1.00 51.43 H new ATOM 0 HB3 ALA A 27 13.470 20.911 0.921 1.00 51.43 H new ATOM 479 N LYS A 28 11.937 22.608 -0.710 1.00 11.41 N ATOM 480 CA LYS A 28 11.020 23.742 -0.721 1.00 33.25 C ATOM 481 C LYS A 28 10.229 23.790 -2.024 1.00 71.30 C ATOM 482 O LYS A 28 9.083 24.238 -2.049 1.00 22.23 O ATOM 483 CB LYS A 28 11.791 25.050 -0.531 1.00 52.12 C ATOM 484 CG LYS A 28 12.930 25.233 -1.519 1.00 55.44 C ATOM 485 CD LYS A 28 12.454 25.896 -2.802 1.00 31.53 C ATOM 486 CE LYS A 28 12.880 27.354 -2.867 1.00 14.32 C ATOM 487 NZ LYS A 28 13.266 27.758 -4.247 1.00 52.30 N ATOM 0 H LYS A 28 12.901 22.848 -0.481 1.00 11.41 H new ATOM 0 HA LYS A 28 10.319 23.618 0.104 1.00 33.25 H new ATOM 0 HB2 LYS A 28 11.099 25.887 -0.627 1.00 52.12 H new ATOM 0 HB3 LYS A 28 12.191 25.082 0.482 1.00 52.12 H new ATOM 0 HG2 LYS A 28 13.714 25.839 -1.064 1.00 55.44 H new ATOM 0 HG3 LYS A 28 13.371 24.264 -1.751 1.00 55.44 H new ATOM 0 HD2 LYS A 28 12.857 25.360 -3.661 1.00 31.53 H new ATOM 0 HD3 LYS A 28 11.368 25.830 -2.866 1.00 31.53 H new ATOM 0 HE2 LYS A 28 12.064 27.987 -2.518 1.00 14.32 H new ATOM 0 HE3 LYS A 28 13.720 27.517 -2.192 1.00 14.32 H new ATOM 0 HZ1 LYS A 28 13.550 28.758 -4.249 1.00 52.30 H new ATOM 0 HZ2 LYS A 28 14.062 27.172 -4.571 1.00 52.30 H new ATOM 0 HZ3 LYS A 28 12.456 27.627 -4.886 1.00 52.30 H new ATOM 501 N GLU A 29 10.848 23.324 -3.104 1.00 61.41 N ATOM 502 CA GLU A 29 10.200 23.313 -4.410 1.00 43.45 C ATOM 503 C GLU A 29 9.024 22.341 -4.427 1.00 0.41 C ATOM 504 O GLU A 29 7.994 22.606 -5.048 1.00 23.13 O ATOM 505 CB GLU A 29 11.205 22.933 -5.500 1.00 3.51 C ATOM 506 CG GLU A 29 12.162 24.057 -5.864 1.00 73.42 C ATOM 507 CD GLU A 29 12.154 24.371 -7.348 1.00 2.15 C ATOM 508 OE1 GLU A 29 11.888 23.451 -8.148 1.00 64.24 O ATOM 509 OE2 GLU A 29 12.414 25.539 -7.707 1.00 62.41 O ATOM 0 H GLU A 29 11.797 22.949 -3.100 1.00 61.41 H new ATOM 0 HA GLU A 29 9.822 24.316 -4.607 1.00 43.45 H new ATOM 0 HB2 GLU A 29 11.781 22.070 -5.166 1.00 3.51 H new ATOM 0 HB3 GLU A 29 10.661 22.627 -6.393 1.00 3.51 H new ATOM 0 HG2 GLU A 29 11.893 24.953 -5.305 1.00 73.42 H new ATOM 0 HG3 GLU A 29 13.172 23.782 -5.560 1.00 73.42 H new ATOM 516 N PHE A 30 9.185 21.215 -3.740 1.00 64.05 N ATOM 517 CA PHE A 30 8.138 20.202 -3.677 1.00 25.21 C ATOM 518 C PHE A 30 7.131 20.529 -2.579 1.00 20.14 C ATOM 519 O PHE A 30 5.987 20.077 -2.616 1.00 3.44 O ATOM 520 CB PHE A 30 8.750 18.821 -3.429 1.00 52.21 C ATOM 521 CG PHE A 30 9.367 18.210 -4.655 1.00 12.14 C ATOM 522 CD1 PHE A 30 10.424 18.833 -5.298 1.00 71.22 C ATOM 523 CD2 PHE A 30 8.889 17.013 -5.163 1.00 41.03 C ATOM 524 CE1 PHE A 30 10.994 18.273 -6.426 1.00 22.10 C ATOM 525 CE2 PHE A 30 9.456 16.448 -6.290 1.00 54.23 C ATOM 526 CZ PHE A 30 10.509 17.080 -6.923 1.00 74.52 C ATOM 0 H PHE A 30 10.030 20.981 -3.219 1.00 64.05 H new ATOM 0 HA PHE A 30 7.616 20.194 -4.634 1.00 25.21 H new ATOM 0 HB2 PHE A 30 9.510 18.903 -2.652 1.00 52.21 H new ATOM 0 HB3 PHE A 30 7.977 18.153 -3.049 1.00 52.21 H new ATOM 0 HD1 PHE A 30 10.807 19.767 -4.914 1.00 71.22 H new ATOM 0 HD2 PHE A 30 8.065 16.516 -4.673 1.00 41.03 H new ATOM 0 HE1 PHE A 30 11.818 18.768 -6.918 1.00 22.10 H new ATOM 0 HE2 PHE A 30 9.076 15.513 -6.675 1.00 54.23 H new ATOM 0 HZ PHE A 30 10.952 16.641 -7.805 1.00 74.52 H new ATOM 536 N GLY A 31 7.566 21.318 -1.600 1.00 71.25 N ATOM 537 CA GLY A 31 6.691 21.692 -0.505 1.00 20.13 C ATOM 538 C GLY A 31 6.800 20.745 0.674 1.00 64.22 C ATOM 539 O GLY A 31 5.797 20.402 1.299 1.00 0.14 O ATOM 0 H GLY A 31 8.509 21.704 -1.547 1.00 71.25 H new ATOM 0 HA2 GLY A 31 6.934 22.703 -0.179 1.00 20.13 H new ATOM 0 HA3 GLY A 31 5.660 21.711 -0.858 1.00 20.13 H new ATOM 543 N VAL A 32 8.022 20.319 0.977 1.00 24.33 N ATOM 544 CA VAL A 32 8.259 19.405 2.088 1.00 24.23 C ATOM 545 C VAL A 32 9.546 19.759 2.826 1.00 34.32 C ATOM 546 O VAL A 32 10.348 20.559 2.347 1.00 44.24 O ATOM 547 CB VAL A 32 8.343 17.944 1.606 1.00 54.43 C ATOM 548 CG1 VAL A 32 6.965 17.432 1.216 1.00 72.54 C ATOM 549 CG2 VAL A 32 9.315 17.823 0.442 1.00 20.23 C ATOM 0 H VAL A 32 8.863 20.592 0.469 1.00 24.33 H new ATOM 0 HA VAL A 32 7.413 19.508 2.768 1.00 24.23 H new ATOM 0 HB VAL A 32 8.715 17.329 2.425 1.00 54.43 H new ATOM 0 HG11 VAL A 32 7.043 16.399 0.878 1.00 72.54 H new ATOM 0 HG12 VAL A 32 6.301 17.482 2.079 1.00 72.54 H new ATOM 0 HG13 VAL A 32 6.562 18.047 0.411 1.00 72.54 H new ATOM 0 HG21 VAL A 32 9.362 16.785 0.114 1.00 20.23 H new ATOM 0 HG22 VAL A 32 8.975 18.449 -0.383 1.00 20.23 H new ATOM 0 HG23 VAL A 32 10.306 18.149 0.760 1.00 20.23 H new ATOM 559 N SER A 33 9.735 19.156 3.996 1.00 43.32 N ATOM 560 CA SER A 33 10.923 19.410 4.803 1.00 42.24 C ATOM 561 C SER A 33 12.051 18.454 4.425 1.00 14.04 C ATOM 562 O SER A 33 11.807 17.327 3.993 1.00 51.42 O ATOM 563 CB SER A 33 10.595 19.268 6.290 1.00 1.22 C ATOM 564 OG SER A 33 10.131 17.963 6.588 1.00 71.33 O ATOM 0 H SER A 33 9.081 18.489 4.406 1.00 43.32 H new ATOM 0 HA SER A 33 11.254 20.430 4.607 1.00 42.24 H new ATOM 0 HB2 SER A 33 11.483 19.486 6.884 1.00 1.22 H new ATOM 0 HB3 SER A 33 9.837 20.000 6.570 1.00 1.22 H new ATOM 0 HG SER A 33 9.930 17.898 7.545 1.00 71.33 H new ATOM 570 N LYS A 34 13.287 18.912 4.592 1.00 33.24 N ATOM 571 CA LYS A 34 14.454 18.099 4.272 1.00 40.15 C ATOM 572 C LYS A 34 14.384 16.746 4.972 1.00 71.24 C ATOM 573 O LYS A 34 14.792 15.727 4.415 1.00 21.51 O ATOM 574 CB LYS A 34 15.736 18.829 4.677 1.00 4.20 C ATOM 575 CG LYS A 34 15.901 20.185 4.012 1.00 72.20 C ATOM 576 CD LYS A 34 15.609 21.320 4.980 1.00 64.45 C ATOM 577 CE LYS A 34 14.577 22.283 4.414 1.00 34.43 C ATOM 578 NZ LYS A 34 14.609 23.600 5.108 1.00 53.02 N ATOM 0 H LYS A 34 13.506 19.843 4.947 1.00 33.24 H new ATOM 0 HA LYS A 34 14.464 17.930 3.195 1.00 40.15 H new ATOM 0 HB2 LYS A 34 15.742 18.961 5.759 1.00 4.20 H new ATOM 0 HB3 LYS A 34 16.594 18.205 4.427 1.00 4.20 H new ATOM 0 HG2 LYS A 34 16.917 20.283 3.631 1.00 72.20 H new ATOM 0 HG3 LYS A 34 15.231 20.255 3.155 1.00 72.20 H new ATOM 0 HD2 LYS A 34 15.248 20.911 5.924 1.00 64.45 H new ATOM 0 HD3 LYS A 34 16.531 21.860 5.198 1.00 64.45 H new ATOM 0 HE2 LYS A 34 14.761 22.429 3.350 1.00 34.43 H new ATOM 0 HE3 LYS A 34 13.583 21.847 4.508 1.00 34.43 H new ATOM 0 HZ1 LYS A 34 13.891 24.228 4.694 1.00 53.02 H new ATOM 0 HZ2 LYS A 34 14.408 23.464 6.119 1.00 53.02 H new ATOM 0 HZ3 LYS A 34 15.550 24.028 4.996 1.00 53.02 H new ATOM 592 N SER A 35 13.863 16.743 6.194 1.00 14.43 N ATOM 593 CA SER A 35 13.741 15.515 6.971 1.00 1.31 C ATOM 594 C SER A 35 12.888 14.488 6.233 1.00 23.21 C ATOM 595 O SER A 35 13.065 13.281 6.401 1.00 72.52 O ATOM 596 CB SER A 35 13.130 15.812 8.342 1.00 51.12 C ATOM 597 OG SER A 35 13.581 14.884 9.313 1.00 4.42 O ATOM 0 H SER A 35 13.518 17.578 6.668 1.00 14.43 H new ATOM 0 HA SER A 35 14.740 15.101 7.109 1.00 1.31 H new ATOM 0 HB2 SER A 35 13.395 16.823 8.650 1.00 51.12 H new ATOM 0 HB3 SER A 35 12.043 15.774 8.275 1.00 51.12 H new ATOM 0 HG SER A 35 13.178 15.096 10.181 1.00 4.42 H new ATOM 603 N THR A 36 11.961 14.976 5.414 1.00 25.43 N ATOM 604 CA THR A 36 11.080 14.102 4.651 1.00 74.21 C ATOM 605 C THR A 36 11.716 13.700 3.325 1.00 2.33 C ATOM 606 O THR A 36 11.704 12.528 2.949 1.00 51.20 O ATOM 607 CB THR A 36 9.723 14.777 4.372 1.00 24.14 C ATOM 608 OG1 THR A 36 9.107 15.165 5.605 1.00 1.32 O ATOM 609 CG2 THR A 36 8.799 13.840 3.611 1.00 74.45 C ATOM 0 H THR A 36 11.802 15.972 5.263 1.00 25.43 H new ATOM 0 HA THR A 36 10.917 13.211 5.257 1.00 74.21 H new ATOM 0 HB THR A 36 9.901 15.662 3.761 1.00 24.14 H new ATOM 0 HG1 THR A 36 9.427 16.054 5.865 1.00 1.32 H new ATOM 0 HG21 THR A 36 7.848 14.338 3.426 1.00 74.45 H new ATOM 0 HG22 THR A 36 9.258 13.569 2.660 1.00 74.45 H new ATOM 0 HG23 THR A 36 8.628 12.939 4.201 1.00 74.45 H new ATOM 617 N VAL A 37 12.273 14.680 2.621 1.00 41.23 N ATOM 618 CA VAL A 37 12.917 14.428 1.337 1.00 10.30 C ATOM 619 C VAL A 37 14.067 13.438 1.484 1.00 52.11 C ATOM 620 O VAL A 37 14.061 12.368 0.875 1.00 74.15 O ATOM 621 CB VAL A 37 13.452 15.731 0.712 1.00 21.53 C ATOM 622 CG1 VAL A 37 14.167 15.440 -0.598 1.00 62.33 C ATOM 623 CG2 VAL A 37 12.320 16.725 0.502 1.00 31.42 C ATOM 0 H VAL A 37 12.291 15.656 2.918 1.00 41.23 H new ATOM 0 HA VAL A 37 12.158 14.004 0.680 1.00 10.30 H new ATOM 0 HB VAL A 37 14.171 16.175 1.400 1.00 21.53 H new ATOM 0 HG11 VAL A 37 14.538 16.372 -1.025 1.00 62.33 H new ATOM 0 HG12 VAL A 37 15.004 14.767 -0.414 1.00 62.33 H new ATOM 0 HG13 VAL A 37 13.472 14.973 -1.296 1.00 62.33 H new ATOM 0 HG21 VAL A 37 12.716 17.639 0.060 1.00 31.42 H new ATOM 0 HG22 VAL A 37 11.575 16.292 -0.166 1.00 31.42 H new ATOM 0 HG23 VAL A 37 11.857 16.957 1.461 1.00 31.42 H new ATOM 633 N HIS A 38 15.053 13.802 2.297 1.00 25.31 N ATOM 634 CA HIS A 38 16.211 12.944 2.525 1.00 2.34 C ATOM 635 C HIS A 38 15.776 11.542 2.940 1.00 75.05 C ATOM 636 O HIS A 38 16.485 10.564 2.702 1.00 40.22 O ATOM 637 CB HIS A 38 17.116 13.548 3.600 1.00 15.22 C ATOM 638 CG HIS A 38 18.313 14.256 3.046 1.00 4.45 C ATOM 639 ND1 HIS A 38 18.847 15.392 3.618 1.00 41.21 N ATOM 640 CD2 HIS A 38 19.083 13.983 1.967 1.00 21.12 C ATOM 641 CE1 HIS A 38 19.892 15.788 2.913 1.00 21.31 C ATOM 642 NE2 HIS A 38 20.057 14.949 1.906 1.00 11.11 N ATOM 0 H HIS A 38 15.074 14.684 2.809 1.00 25.31 H new ATOM 0 HA HIS A 38 16.767 12.871 1.590 1.00 2.34 H new ATOM 0 HB2 HIS A 38 16.536 14.248 4.201 1.00 15.22 H new ATOM 0 HB3 HIS A 38 17.450 12.755 4.269 1.00 15.22 H new ATOM 0 HD1 HIS A 38 18.491 15.854 4.455 1.00 41.21 H new ATOM 0 HD2 HIS A 38 18.955 13.158 1.281 1.00 21.12 H new ATOM 0 HE1 HIS A 38 20.507 16.651 3.124 1.00 21.31 H new ATOM 650 N LYS A 39 14.605 11.451 3.561 1.00 74.21 N ATOM 651 CA LYS A 39 14.073 10.169 4.008 1.00 30.11 C ATOM 652 C LYS A 39 13.889 9.216 2.832 1.00 64.35 C ATOM 653 O LYS A 39 14.369 8.082 2.858 1.00 10.12 O ATOM 654 CB LYS A 39 12.738 10.370 4.728 1.00 14.50 C ATOM 655 CG LYS A 39 12.355 9.213 5.634 1.00 15.43 C ATOM 656 CD LYS A 39 11.149 9.554 6.495 1.00 44.43 C ATOM 657 CE LYS A 39 11.280 8.971 7.893 1.00 1.14 C ATOM 658 NZ LYS A 39 9.954 8.792 8.546 1.00 54.30 N ATOM 0 H LYS A 39 14.006 12.250 3.766 1.00 74.21 H new ATOM 0 HA LYS A 39 14.790 9.729 4.701 1.00 30.11 H new ATOM 0 HB2 LYS A 39 12.789 11.283 5.321 1.00 14.50 H new ATOM 0 HB3 LYS A 39 11.953 10.515 3.986 1.00 14.50 H new ATOM 0 HG2 LYS A 39 12.134 8.334 5.029 1.00 15.43 H new ATOM 0 HG3 LYS A 39 13.199 8.956 6.274 1.00 15.43 H new ATOM 0 HD2 LYS A 39 11.041 10.637 6.560 1.00 44.43 H new ATOM 0 HD3 LYS A 39 10.244 9.171 6.023 1.00 44.43 H new ATOM 0 HE2 LYS A 39 11.791 8.010 7.839 1.00 1.14 H new ATOM 0 HE3 LYS A 39 11.900 9.628 8.504 1.00 1.14 H new ATOM 0 HZ1 LYS A 39 10.086 8.392 9.497 1.00 54.30 H new ATOM 0 HZ2 LYS A 39 9.477 9.713 8.621 1.00 54.30 H new ATOM 0 HZ3 LYS A 39 9.371 8.145 7.977 1.00 54.30 H new ATOM 672 N ASP A 40 13.194 9.683 1.801 1.00 62.05 N ATOM 673 CA ASP A 40 12.950 8.873 0.613 1.00 72.31 C ATOM 674 C ASP A 40 14.155 8.902 -0.322 1.00 72.22 C ATOM 675 O ASP A 40 14.465 7.910 -0.984 1.00 12.21 O ATOM 676 CB ASP A 40 11.705 9.371 -0.123 1.00 61.22 C ATOM 677 CG ASP A 40 10.455 8.610 0.272 1.00 21.43 C ATOM 678 OD1 ASP A 40 10.559 7.392 0.529 1.00 12.23 O ATOM 679 OD2 ASP A 40 9.373 9.231 0.324 1.00 11.21 O ATOM 0 H ASP A 40 12.789 10.619 1.764 1.00 62.05 H new ATOM 0 HA ASP A 40 12.786 7.844 0.933 1.00 72.31 H new ATOM 0 HB2 ASP A 40 11.563 10.431 0.086 1.00 61.22 H new ATOM 0 HB3 ASP A 40 11.860 9.276 -1.198 1.00 61.22 H new ATOM 684 N LEU A 41 14.830 10.045 -0.373 1.00 21.30 N ATOM 685 CA LEU A 41 16.001 10.204 -1.228 1.00 61.02 C ATOM 686 C LEU A 41 17.088 9.200 -0.856 1.00 54.04 C ATOM 687 O LEU A 41 17.989 8.922 -1.648 1.00 22.01 O ATOM 688 CB LEU A 41 16.548 11.628 -1.118 1.00 13.42 C ATOM 689 CG LEU A 41 15.927 12.660 -2.060 1.00 51.40 C ATOM 690 CD1 LEU A 41 16.706 12.730 -3.364 1.00 63.30 C ATOM 691 CD2 LEU A 41 14.466 12.328 -2.327 1.00 10.32 C ATOM 0 H LEU A 41 14.587 10.875 0.167 1.00 21.30 H new ATOM 0 HA LEU A 41 15.696 10.017 -2.258 1.00 61.02 H new ATOM 0 HB2 LEU A 41 16.409 11.971 -0.093 1.00 13.42 H new ATOM 0 HB3 LEU A 41 17.622 11.598 -1.301 1.00 13.42 H new ATOM 0 HG LEU A 41 15.975 13.637 -1.579 1.00 51.40 H new ATOM 0 HD11 LEU A 41 16.249 13.470 -4.021 1.00 63.30 H new ATOM 0 HD12 LEU A 41 17.737 13.016 -3.157 1.00 63.30 H new ATOM 0 HD13 LEU A 41 16.691 11.754 -3.850 1.00 63.30 H new ATOM 0 HD21 LEU A 41 14.041 13.073 -2.999 1.00 10.32 H new ATOM 0 HD22 LEU A 41 14.395 11.342 -2.786 1.00 10.32 H new ATOM 0 HD23 LEU A 41 13.915 12.331 -1.387 1.00 10.32 H new ATOM 703 N THR A 42 16.995 8.656 0.353 1.00 0.44 N ATOM 704 CA THR A 42 17.969 7.683 0.830 1.00 32.52 C ATOM 705 C THR A 42 17.311 6.334 1.100 1.00 41.10 C ATOM 706 O THR A 42 17.962 5.398 1.561 1.00 22.54 O ATOM 707 CB THR A 42 18.665 8.168 2.116 1.00 62.43 C ATOM 708 OG1 THR A 42 17.719 8.238 3.188 1.00 4.24 O ATOM 709 CG2 THR A 42 19.302 9.533 1.904 1.00 63.31 C ATOM 0 H THR A 42 16.254 8.873 1.020 1.00 0.44 H new ATOM 0 HA THR A 42 18.714 7.570 0.043 1.00 32.52 H new ATOM 0 HB THR A 42 19.449 7.455 2.370 1.00 62.43 H new ATOM 0 HG1 THR A 42 17.086 8.967 3.019 1.00 4.24 H new ATOM 0 HG21 THR A 42 19.787 9.855 2.825 1.00 63.31 H new ATOM 0 HG22 THR A 42 20.043 9.469 1.107 1.00 63.31 H new ATOM 0 HG23 THR A 42 18.533 10.254 1.628 1.00 63.31 H new ATOM 717 N GLU A 43 16.017 6.243 0.809 1.00 62.05 N ATOM 718 CA GLU A 43 15.272 5.008 1.021 1.00 63.55 C ATOM 719 C GLU A 43 14.673 4.502 -0.289 1.00 0.13 C ATOM 720 O GLU A 43 15.159 3.533 -0.873 1.00 11.51 O ATOM 721 CB GLU A 43 14.163 5.225 2.051 1.00 12.35 C ATOM 722 CG GLU A 43 14.665 5.273 3.485 1.00 52.52 C ATOM 723 CD GLU A 43 14.712 3.903 4.133 1.00 40.33 C ATOM 724 OE1 GLU A 43 13.667 3.454 4.649 1.00 65.04 O ATOM 725 OE2 GLU A 43 15.794 3.280 4.123 1.00 5.44 O ATOM 0 H GLU A 43 15.463 7.009 0.426 1.00 62.05 H new ATOM 0 HA GLU A 43 15.965 4.256 1.398 1.00 63.55 H new ATOM 0 HB2 GLU A 43 13.646 6.157 1.825 1.00 12.35 H new ATOM 0 HB3 GLU A 43 13.430 4.423 1.958 1.00 12.35 H new ATOM 0 HG2 GLU A 43 15.662 5.713 3.502 1.00 52.52 H new ATOM 0 HG3 GLU A 43 14.018 5.926 4.071 1.00 52.52 H new ATOM 732 N ARG A 44 13.614 5.165 -0.743 1.00 24.12 N ATOM 733 CA ARG A 44 12.947 4.782 -1.981 1.00 41.43 C ATOM 734 C ARG A 44 13.815 5.114 -3.192 1.00 3.15 C ATOM 735 O ARG A 44 14.023 4.275 -4.069 1.00 25.44 O ATOM 736 CB ARG A 44 11.597 5.493 -2.099 1.00 22.44 C ATOM 737 CG ARG A 44 10.523 4.913 -1.193 1.00 3.04 C ATOM 738 CD ARG A 44 9.809 3.744 -1.852 1.00 61.14 C ATOM 739 NE ARG A 44 10.174 2.467 -1.245 1.00 74.42 N ATOM 740 CZ ARG A 44 9.718 2.057 -0.066 1.00 64.25 C ATOM 741 NH1 ARG A 44 8.885 2.820 0.628 1.00 64.41 N ATOM 742 NH2 ARG A 44 10.096 0.881 0.420 1.00 40.33 N ATOM 0 H ARG A 44 13.200 5.969 -0.272 1.00 24.12 H new ATOM 0 HA ARG A 44 12.783 3.705 -1.957 1.00 41.43 H new ATOM 0 HB2 ARG A 44 11.730 6.549 -1.862 1.00 22.44 H new ATOM 0 HB3 ARG A 44 11.256 5.439 -3.133 1.00 22.44 H new ATOM 0 HG2 ARG A 44 10.974 4.584 -0.257 1.00 3.04 H new ATOM 0 HG3 ARG A 44 9.799 5.688 -0.943 1.00 3.04 H new ATOM 0 HD2 ARG A 44 8.731 3.887 -1.774 1.00 61.14 H new ATOM 0 HD3 ARG A 44 10.052 3.723 -2.914 1.00 61.14 H new ATOM 0 HE ARG A 44 10.814 1.857 -1.754 1.00 74.42 H new ATOM 0 HH11 ARG A 44 8.593 3.724 0.257 1.00 64.41 H new ATOM 0 HH12 ARG A 44 8.537 2.503 1.533 1.00 64.41 H new ATOM 0 HH21 ARG A 44 10.737 0.292 -0.112 1.00 40.33 H new ATOM 0 HH22 ARG A 44 9.746 0.567 1.325 1.00 40.33 H new ATOM 756 N LEU A 45 14.319 6.343 -3.233 1.00 31.42 N ATOM 757 CA LEU A 45 15.165 6.786 -4.336 1.00 14.24 C ATOM 758 C LEU A 45 16.177 5.710 -4.713 1.00 21.54 C ATOM 759 O LEU A 45 16.225 5.238 -5.849 1.00 42.51 O ATOM 760 CB LEU A 45 15.893 8.078 -3.958 1.00 73.55 C ATOM 761 CG LEU A 45 17.237 8.315 -4.646 1.00 45.23 C ATOM 762 CD1 LEU A 45 17.112 8.112 -6.148 1.00 62.12 C ATOM 763 CD2 LEU A 45 17.755 9.712 -4.337 1.00 3.33 C ATOM 0 H LEU A 45 14.157 7.050 -2.516 1.00 31.42 H new ATOM 0 HA LEU A 45 14.526 6.975 -5.199 1.00 14.24 H new ATOM 0 HB2 LEU A 45 15.238 8.920 -4.183 1.00 73.55 H new ATOM 0 HB3 LEU A 45 16.054 8.079 -2.880 1.00 73.55 H new ATOM 0 HG LEU A 45 17.953 7.589 -4.260 1.00 45.23 H new ATOM 0 HD11 LEU A 45 18.079 8.285 -6.620 1.00 62.12 H new ATOM 0 HD12 LEU A 45 16.786 7.092 -6.351 1.00 62.12 H new ATOM 0 HD13 LEU A 45 16.381 8.813 -6.550 1.00 62.12 H new ATOM 0 HD21 LEU A 45 18.713 9.863 -4.835 1.00 3.33 H new ATOM 0 HD22 LEU A 45 17.039 10.453 -4.694 1.00 3.33 H new ATOM 0 HD23 LEU A 45 17.884 9.822 -3.260 1.00 3.33 H new ATOM 775 N PRO A 46 17.005 5.308 -3.737 1.00 22.02 N ATOM 776 CA PRO A 46 18.030 4.280 -3.941 1.00 41.14 C ATOM 777 C PRO A 46 17.429 2.892 -4.136 1.00 54.42 C ATOM 778 O PRO A 46 17.946 2.085 -4.908 1.00 14.32 O ATOM 779 CB PRO A 46 18.848 4.332 -2.648 1.00 75.23 C ATOM 780 CG PRO A 46 17.907 4.871 -1.627 1.00 12.42 C ATOM 781 CD PRO A 46 17.004 5.826 -2.358 1.00 43.14 C ATOM 0 HA PRO A 46 18.617 4.464 -4.841 1.00 41.14 H new ATOM 0 HB2 PRO A 46 19.211 3.343 -2.369 1.00 75.23 H new ATOM 0 HB3 PRO A 46 19.723 4.973 -2.758 1.00 75.23 H new ATOM 0 HG2 PRO A 46 17.333 4.069 -1.163 1.00 12.42 H new ATOM 0 HG3 PRO A 46 18.447 5.379 -0.828 1.00 12.42 H new ATOM 0 HD2 PRO A 46 16.000 5.835 -1.933 1.00 43.14 H new ATOM 0 HD3 PRO A 46 17.379 6.848 -2.312 1.00 43.14 H new ATOM 789 N GLU A 47 16.334 2.623 -3.432 1.00 72.30 N ATOM 790 CA GLU A 47 15.663 1.332 -3.529 1.00 21.54 C ATOM 791 C GLU A 47 15.216 1.056 -4.962 1.00 3.35 C ATOM 792 O GLU A 47 15.401 -0.046 -5.479 1.00 51.54 O ATOM 793 CB GLU A 47 14.456 1.287 -2.589 1.00 42.30 C ATOM 794 CG GLU A 47 14.769 0.699 -1.223 1.00 42.24 C ATOM 795 CD GLU A 47 14.442 -0.779 -1.136 1.00 12.23 C ATOM 796 OE1 GLU A 47 14.684 -1.500 -2.126 1.00 32.45 O ATOM 797 OE2 GLU A 47 13.944 -1.214 -0.076 1.00 54.52 O ATOM 0 H GLU A 47 15.893 3.281 -2.789 1.00 72.30 H new ATOM 0 HA GLU A 47 16.374 0.560 -3.234 1.00 21.54 H new ATOM 0 HB2 GLU A 47 14.069 2.298 -2.460 1.00 42.30 H new ATOM 0 HB3 GLU A 47 13.665 0.700 -3.055 1.00 42.30 H new ATOM 0 HG2 GLU A 47 15.826 0.847 -1.001 1.00 42.24 H new ATOM 0 HG3 GLU A 47 14.205 1.238 -0.462 1.00 42.24 H new ATOM 804 N ILE A 48 14.628 2.065 -5.595 1.00 72.15 N ATOM 805 CA ILE A 48 14.155 1.932 -6.968 1.00 3.21 C ATOM 806 C ILE A 48 15.253 2.289 -7.964 1.00 41.23 C ATOM 807 O ILE A 48 15.276 1.783 -9.085 1.00 50.55 O ATOM 808 CB ILE A 48 12.929 2.826 -7.230 1.00 41.41 C ATOM 809 CG1 ILE A 48 13.225 4.269 -6.815 1.00 15.14 C ATOM 810 CG2 ILE A 48 11.715 2.293 -6.484 1.00 62.33 C ATOM 811 CD1 ILE A 48 12.920 5.283 -7.895 1.00 14.44 C ATOM 0 H ILE A 48 14.468 2.983 -5.180 1.00 72.15 H new ATOM 0 HA ILE A 48 13.869 0.889 -7.104 1.00 3.21 H new ATOM 0 HB ILE A 48 12.709 2.812 -8.298 1.00 41.41 H new ATOM 0 HG12 ILE A 48 12.641 4.510 -5.926 1.00 15.14 H new ATOM 0 HG13 ILE A 48 14.276 4.350 -6.538 1.00 15.14 H new ATOM 0 HG21 ILE A 48 10.857 2.936 -6.679 1.00 62.33 H new ATOM 0 HG22 ILE A 48 11.495 1.281 -6.823 1.00 62.33 H new ATOM 0 HG23 ILE A 48 11.922 2.280 -5.414 1.00 62.33 H new ATOM 0 HD11 ILE A 48 13.154 6.284 -7.531 1.00 14.44 H new ATOM 0 HD12 ILE A 48 13.523 5.068 -8.777 1.00 14.44 H new ATOM 0 HD13 ILE A 48 11.863 5.230 -8.156 1.00 14.44 H new ATOM 823 N ASN A 49 16.163 3.163 -7.546 1.00 21.21 N ATOM 824 CA ASN A 49 17.266 3.587 -8.401 1.00 75.13 C ATOM 825 C ASN A 49 18.496 3.936 -7.570 1.00 1.12 C ATOM 826 O ASN A 49 18.610 5.028 -7.013 1.00 0.14 O ATOM 827 CB ASN A 49 16.848 4.792 -9.246 1.00 43.33 C ATOM 828 CG ASN A 49 16.108 4.387 -10.506 1.00 62.23 C ATOM 829 OD1 ASN A 49 16.375 3.333 -11.084 1.00 42.24 O ATOM 830 ND2 ASN A 49 15.172 5.224 -10.938 1.00 44.20 N ATOM 0 H ASN A 49 16.158 3.591 -6.620 1.00 21.21 H new ATOM 0 HA ASN A 49 17.520 2.758 -9.062 1.00 75.13 H new ATOM 0 HB2 ASN A 49 16.213 5.447 -8.650 1.00 43.33 H new ATOM 0 HB3 ASN A 49 17.734 5.367 -9.517 1.00 43.33 H new ATOM 0 HD21 ASN A 49 14.641 5.004 -11.781 1.00 44.20 H new ATOM 0 HD22 ASN A 49 14.984 6.087 -10.427 1.00 44.20 H new ATOM 837 N PRO A 50 19.441 2.988 -7.484 1.00 35.45 N ATOM 838 CA PRO A 50 20.680 3.172 -6.723 1.00 64.14 C ATOM 839 C PRO A 50 21.616 4.183 -7.377 1.00 64.53 C ATOM 840 O PRO A 50 22.267 4.973 -6.694 1.00 24.24 O ATOM 841 CB PRO A 50 21.311 1.777 -6.730 1.00 12.13 C ATOM 842 CG PRO A 50 20.762 1.119 -7.948 1.00 62.23 C ATOM 843 CD PRO A 50 19.371 1.662 -8.122 1.00 0.51 C ATOM 0 HA PRO A 50 20.491 3.564 -5.724 1.00 64.14 H new ATOM 0 HB2 PRO A 50 22.399 1.835 -6.768 1.00 12.13 H new ATOM 0 HB3 PRO A 50 21.052 1.221 -5.829 1.00 12.13 H new ATOM 0 HG2 PRO A 50 21.378 1.337 -8.820 1.00 62.23 H new ATOM 0 HG3 PRO A 50 20.746 0.035 -7.832 1.00 62.23 H new ATOM 0 HD2 PRO A 50 19.097 1.736 -9.174 1.00 0.51 H new ATOM 0 HD3 PRO A 50 18.628 1.024 -7.643 1.00 0.51 H new ATOM 851 N ASP A 51 21.679 4.152 -8.704 1.00 32.01 N ATOM 852 CA ASP A 51 22.535 5.067 -9.450 1.00 75.14 C ATOM 853 C ASP A 51 22.119 6.515 -9.213 1.00 2.44 C ATOM 854 O ASP A 51 22.953 7.370 -8.908 1.00 70.44 O ATOM 855 CB ASP A 51 22.479 4.746 -10.945 1.00 1.22 C ATOM 856 CG ASP A 51 23.536 3.742 -11.361 1.00 42.41 C ATOM 857 OD1 ASP A 51 23.287 2.526 -11.224 1.00 13.20 O ATOM 858 OD2 ASP A 51 24.613 4.173 -11.825 1.00 34.23 O ATOM 0 H ASP A 51 21.148 3.503 -9.285 1.00 32.01 H new ATOM 0 HA ASP A 51 23.558 4.939 -9.096 1.00 75.14 H new ATOM 0 HB2 ASP A 51 21.492 4.354 -11.193 1.00 1.22 H new ATOM 0 HB3 ASP A 51 22.610 5.665 -11.516 1.00 1.22 H new ATOM 863 N LEU A 52 20.826 6.786 -9.354 1.00 63.51 N ATOM 864 CA LEU A 52 20.300 8.131 -9.156 1.00 14.43 C ATOM 865 C LEU A 52 20.476 8.577 -7.708 1.00 2.23 C ATOM 866 O LEU A 52 20.563 9.771 -7.422 1.00 21.14 O ATOM 867 CB LEU A 52 18.820 8.183 -9.540 1.00 40.24 C ATOM 868 CG LEU A 52 18.474 9.029 -10.766 1.00 45.42 C ATOM 869 CD1 LEU A 52 17.054 8.745 -11.228 1.00 72.52 C ATOM 870 CD2 LEU A 52 18.651 10.509 -10.460 1.00 11.44 C ATOM 0 H LEU A 52 20.123 6.091 -9.605 1.00 63.51 H new ATOM 0 HA LEU A 52 20.860 8.811 -9.798 1.00 14.43 H new ATOM 0 HB2 LEU A 52 18.475 7.164 -9.717 1.00 40.24 H new ATOM 0 HB3 LEU A 52 18.258 8.566 -8.689 1.00 40.24 H new ATOM 0 HG LEU A 52 19.157 8.761 -11.572 1.00 45.42 H new ATOM 0 HD11 LEU A 52 16.826 9.356 -12.101 1.00 72.52 H new ATOM 0 HD12 LEU A 52 16.960 7.691 -11.489 1.00 72.52 H new ATOM 0 HD13 LEU A 52 16.356 8.984 -10.426 1.00 72.52 H new ATOM 0 HD21 LEU A 52 18.400 11.096 -11.344 1.00 11.44 H new ATOM 0 HD22 LEU A 52 17.993 10.792 -9.638 1.00 11.44 H new ATOM 0 HD23 LEU A 52 19.686 10.701 -10.179 1.00 11.44 H new ATOM 882 N ALA A 53 20.531 7.609 -6.798 1.00 54.44 N ATOM 883 CA ALA A 53 20.701 7.902 -5.381 1.00 23.13 C ATOM 884 C ALA A 53 22.084 8.483 -5.103 1.00 34.44 C ATOM 885 O ALA A 53 22.276 9.214 -4.132 1.00 51.25 O ATOM 886 CB ALA A 53 20.478 6.646 -4.552 1.00 71.40 C ATOM 0 H ALA A 53 20.460 6.615 -7.018 1.00 54.44 H new ATOM 0 HA ALA A 53 19.958 8.648 -5.098 1.00 23.13 H new ATOM 0 HB1 ALA A 53 20.608 6.880 -3.495 1.00 71.40 H new ATOM 0 HB2 ALA A 53 19.467 6.274 -4.720 1.00 71.40 H new ATOM 0 HB3 ALA A 53 21.199 5.883 -4.846 1.00 71.40 H new ATOM 892 N ASN A 54 23.043 8.151 -5.960 1.00 63.31 N ATOM 893 CA ASN A 54 24.409 8.639 -5.805 1.00 71.32 C ATOM 894 C ASN A 54 24.485 10.138 -6.078 1.00 22.20 C ATOM 895 O ASN A 54 25.252 10.856 -5.438 1.00 14.45 O ATOM 896 CB ASN A 54 25.351 7.889 -6.749 1.00 72.43 C ATOM 897 CG ASN A 54 26.126 6.793 -6.043 1.00 13.12 C ATOM 898 OD1 ASN A 54 27.168 7.046 -5.439 1.00 23.43 O ATOM 899 ND2 ASN A 54 25.618 5.568 -6.116 1.00 43.10 N ATOM 0 H ASN A 54 22.900 7.546 -6.769 1.00 63.31 H new ATOM 0 HA ASN A 54 24.718 8.459 -4.775 1.00 71.32 H new ATOM 0 HB2 ASN A 54 24.773 7.454 -7.564 1.00 72.43 H new ATOM 0 HB3 ASN A 54 26.051 8.595 -7.196 1.00 72.43 H new ATOM 0 HD21 ASN A 54 26.095 4.790 -5.660 1.00 43.10 H new ATOM 0 HD22 ASN A 54 24.751 5.405 -6.628 1.00 43.10 H new ATOM 906 N GLU A 55 23.684 10.602 -7.032 1.00 65.35 N ATOM 907 CA GLU A 55 23.662 12.015 -7.390 1.00 11.35 C ATOM 908 C GLU A 55 23.368 12.880 -6.167 1.00 40.54 C ATOM 909 O GLU A 55 24.152 13.761 -5.813 1.00 22.11 O ATOM 910 CB GLU A 55 22.614 12.273 -8.475 1.00 3.45 C ATOM 911 CG GLU A 55 22.703 11.311 -9.647 1.00 52.22 C ATOM 912 CD GLU A 55 21.809 11.717 -10.803 1.00 63.23 C ATOM 913 OE1 GLU A 55 20.977 12.630 -10.619 1.00 64.51 O ATOM 914 OE2 GLU A 55 21.943 11.121 -11.893 1.00 32.12 O ATOM 0 H GLU A 55 23.042 10.020 -7.570 1.00 65.35 H new ATOM 0 HA GLU A 55 24.646 12.282 -7.775 1.00 11.35 H new ATOM 0 HB2 GLU A 55 21.620 12.203 -8.033 1.00 3.45 H new ATOM 0 HB3 GLU A 55 22.728 13.293 -8.843 1.00 3.45 H new ATOM 0 HG2 GLU A 55 23.736 11.259 -9.992 1.00 52.22 H new ATOM 0 HG3 GLU A 55 22.427 10.311 -9.313 1.00 52.22 H new ATOM 921 N VAL A 56 22.232 12.624 -5.527 1.00 72.40 N ATOM 922 CA VAL A 56 21.833 13.377 -4.344 1.00 44.54 C ATOM 923 C VAL A 56 22.862 13.234 -3.229 1.00 23.44 C ATOM 924 O VAL A 56 22.992 14.108 -2.371 1.00 72.14 O ATOM 925 CB VAL A 56 20.459 12.918 -3.823 1.00 10.24 C ATOM 926 CG1 VAL A 56 20.513 11.463 -3.384 1.00 24.15 C ATOM 927 CG2 VAL A 56 19.997 13.811 -2.681 1.00 3.21 C ATOM 0 H VAL A 56 21.571 11.900 -5.808 1.00 72.40 H new ATOM 0 HA VAL A 56 21.768 14.423 -4.642 1.00 44.54 H new ATOM 0 HB VAL A 56 19.736 13.001 -4.634 1.00 10.24 H new ATOM 0 HG11 VAL A 56 19.533 11.157 -3.019 1.00 24.15 H new ATOM 0 HG12 VAL A 56 20.797 10.838 -4.231 1.00 24.15 H new ATOM 0 HG13 VAL A 56 21.248 11.350 -2.587 1.00 24.15 H new ATOM 0 HG21 VAL A 56 19.024 13.472 -2.325 1.00 3.21 H new ATOM 0 HG22 VAL A 56 20.719 13.762 -1.866 1.00 3.21 H new ATOM 0 HG23 VAL A 56 19.916 14.839 -3.033 1.00 3.21 H new ATOM 937 N LYS A 57 23.594 12.124 -3.245 1.00 54.41 N ATOM 938 CA LYS A 57 24.614 11.865 -2.236 1.00 72.12 C ATOM 939 C LYS A 57 25.897 12.627 -2.551 1.00 52.40 C ATOM 940 O LYS A 57 26.654 12.985 -1.649 1.00 75.10 O ATOM 941 CB LYS A 57 24.907 10.365 -2.152 1.00 11.23 C ATOM 942 CG LYS A 57 26.186 10.037 -1.401 1.00 35.24 C ATOM 943 CD LYS A 57 26.143 10.556 0.027 1.00 51.13 C ATOM 944 CE LYS A 57 25.119 9.804 0.863 1.00 54.51 C ATOM 945 NZ LYS A 57 25.766 8.869 1.824 1.00 51.10 N ATOM 0 H LYS A 57 23.499 11.389 -3.946 1.00 54.41 H new ATOM 0 HA LYS A 57 24.234 12.210 -1.274 1.00 72.12 H new ATOM 0 HB2 LYS A 57 24.070 9.867 -1.663 1.00 11.23 H new ATOM 0 HB3 LYS A 57 24.974 9.959 -3.161 1.00 11.23 H new ATOM 0 HG2 LYS A 57 26.337 8.958 -1.392 1.00 35.24 H new ATOM 0 HG3 LYS A 57 27.038 10.474 -1.922 1.00 35.24 H new ATOM 0 HD2 LYS A 57 27.129 10.456 0.481 1.00 51.13 H new ATOM 0 HD3 LYS A 57 25.900 11.619 0.022 1.00 51.13 H new ATOM 0 HE2 LYS A 57 24.502 10.517 1.410 1.00 54.51 H new ATOM 0 HE3 LYS A 57 24.453 9.245 0.205 1.00 54.51 H new ATOM 0 HZ1 LYS A 57 25.034 8.376 2.375 1.00 51.10 H new ATOM 0 HZ2 LYS A 57 26.334 8.172 1.301 1.00 51.10 H new ATOM 0 HZ3 LYS A 57 26.382 9.405 2.468 1.00 51.10 H new ATOM 959 N GLU A 58 26.133 12.874 -3.836 1.00 25.23 N ATOM 960 CA GLU A 58 27.325 13.595 -4.268 1.00 20.23 C ATOM 961 C GLU A 58 27.291 15.042 -3.784 1.00 33.32 C ATOM 962 O GLU A 58 28.241 15.523 -3.165 1.00 74.14 O ATOM 963 CB GLU A 58 27.446 13.558 -5.793 1.00 14.24 C ATOM 964 CG GLU A 58 27.995 12.247 -6.328 1.00 61.14 C ATOM 965 CD GLU A 58 28.716 12.414 -7.652 1.00 24.13 C ATOM 966 OE1 GLU A 58 28.206 13.158 -8.515 1.00 51.11 O ATOM 967 OE2 GLU A 58 29.790 11.801 -7.824 1.00 64.23 O ATOM 0 H GLU A 58 25.515 12.586 -4.595 1.00 25.23 H new ATOM 0 HA GLU A 58 28.194 13.104 -3.830 1.00 20.23 H new ATOM 0 HB2 GLU A 58 26.464 13.737 -6.231 1.00 14.24 H new ATOM 0 HB3 GLU A 58 28.093 14.373 -6.118 1.00 14.24 H new ATOM 0 HG2 GLU A 58 28.680 11.819 -5.597 1.00 61.14 H new ATOM 0 HG3 GLU A 58 27.177 11.538 -6.451 1.00 61.14 H new ATOM 974 N ILE A 59 26.190 15.729 -4.070 1.00 44.14 N ATOM 975 CA ILE A 59 26.032 17.120 -3.664 1.00 51.15 C ATOM 976 C ILE A 59 26.152 17.268 -2.151 1.00 55.25 C ATOM 977 O ILE A 59 26.589 18.305 -1.651 1.00 13.23 O ATOM 978 CB ILE A 59 24.674 17.688 -4.119 1.00 23.12 C ATOM 979 CG1 ILE A 59 23.530 16.975 -3.394 1.00 45.14 C ATOM 980 CG2 ILE A 59 24.521 17.551 -5.626 1.00 74.02 C ATOM 981 CD1 ILE A 59 22.162 17.517 -3.745 1.00 64.45 C ATOM 0 H ILE A 59 25.395 15.345 -4.581 1.00 44.14 H new ATOM 0 HA ILE A 59 26.832 17.683 -4.146 1.00 51.15 H new ATOM 0 HB ILE A 59 24.636 18.747 -3.865 1.00 23.12 H new ATOM 0 HG12 ILE A 59 23.564 15.913 -3.635 1.00 45.14 H new ATOM 0 HG13 ILE A 59 23.682 17.063 -2.318 1.00 45.14 H new ATOM 0 HG21 ILE A 59 23.557 17.957 -5.932 1.00 74.02 H new ATOM 0 HG22 ILE A 59 25.320 18.100 -6.124 1.00 74.02 H new ATOM 0 HG23 ILE A 59 24.576 16.498 -5.903 1.00 74.02 H new ATOM 0 HD11 ILE A 59 21.400 16.965 -3.195 1.00 64.45 H new ATOM 0 HD12 ILE A 59 22.109 18.572 -3.478 1.00 64.45 H new ATOM 0 HD13 ILE A 59 21.990 17.404 -4.815 1.00 64.45 H new ATOM 993 N LEU A 60 25.762 16.224 -1.428 1.00 1.51 N ATOM 994 CA LEU A 60 25.827 16.237 0.029 1.00 23.34 C ATOM 995 C LEU A 60 27.269 16.376 0.509 1.00 73.32 C ATOM 996 O LEU A 60 27.574 17.218 1.353 1.00 41.32 O ATOM 997 CB LEU A 60 25.210 14.958 0.598 1.00 72.11 C ATOM 998 CG LEU A 60 23.683 14.931 0.686 1.00 45.13 C ATOM 999 CD1 LEU A 60 23.204 13.601 1.246 1.00 3.14 C ATOM 1000 CD2 LEU A 60 23.178 16.085 1.539 1.00 20.04 C ATOM 0 H LEU A 60 25.398 15.359 -1.827 1.00 1.51 H new ATOM 0 HA LEU A 60 25.260 17.097 0.385 1.00 23.34 H new ATOM 0 HB2 LEU A 60 25.534 14.118 -0.016 1.00 72.11 H new ATOM 0 HB3 LEU A 60 25.615 14.797 1.597 1.00 72.11 H new ATOM 0 HG LEU A 60 23.278 15.045 -0.319 1.00 45.13 H new ATOM 0 HD11 LEU A 60 22.115 13.600 1.301 1.00 3.14 H new ATOM 0 HD12 LEU A 60 23.535 12.792 0.595 1.00 3.14 H new ATOM 0 HD13 LEU A 60 23.618 13.456 2.244 1.00 3.14 H new ATOM 0 HD21 LEU A 60 22.090 16.050 1.591 1.00 20.04 H new ATOM 0 HD22 LEU A 60 23.592 16.003 2.544 1.00 20.04 H new ATOM 0 HD23 LEU A 60 23.490 17.030 1.094 1.00 20.04 H new ATOM 1012 N ASP A 61 28.151 15.545 -0.036 1.00 54.24 N ATOM 1013 CA ASP A 61 29.561 15.577 0.333 1.00 50.51 C ATOM 1014 C ASP A 61 30.143 16.973 0.133 1.00 3.20 C ATOM 1015 O ASP A 61 31.110 17.354 0.793 1.00 24.22 O ATOM 1016 CB ASP A 61 30.350 14.559 -0.492 1.00 54.42 C ATOM 1017 CG ASP A 61 31.671 14.191 0.153 1.00 62.33 C ATOM 1018 OD1 ASP A 61 31.675 13.882 1.363 1.00 52.34 O ATOM 1019 OD2 ASP A 61 32.702 14.211 -0.552 1.00 40.43 O ATOM 0 H ASP A 61 27.914 14.841 -0.735 1.00 54.24 H new ATOM 0 HA ASP A 61 29.641 15.317 1.389 1.00 50.51 H new ATOM 0 HB2 ASP A 61 29.750 13.659 -0.623 1.00 54.42 H new ATOM 0 HB3 ASP A 61 30.535 14.966 -1.486 1.00 54.42 H new ATOM 1024 N TYR A 62 29.549 17.731 -0.782 1.00 20.01 N ATOM 1025 CA TYR A 62 30.011 19.083 -1.072 1.00 11.35 C ATOM 1026 C TYR A 62 29.376 20.091 -0.118 1.00 44.54 C ATOM 1027 O TYR A 62 29.953 21.142 0.167 1.00 33.42 O ATOM 1028 CB TYR A 62 29.685 19.457 -2.518 1.00 54.34 C ATOM 1029 CG TYR A 62 29.702 20.947 -2.778 1.00 24.25 C ATOM 1030 CD1 TYR A 62 30.890 21.666 -2.729 1.00 11.41 C ATOM 1031 CD2 TYR A 62 28.531 21.634 -3.072 1.00 44.41 C ATOM 1032 CE1 TYR A 62 30.911 23.027 -2.964 1.00 55.42 C ATOM 1033 CE2 TYR A 62 28.543 22.995 -3.310 1.00 52.23 C ATOM 1034 CZ TYR A 62 29.735 23.687 -3.255 1.00 14.23 C ATOM 1035 OH TYR A 62 29.751 25.043 -3.491 1.00 62.22 O ATOM 0 H TYR A 62 28.746 17.432 -1.336 1.00 20.01 H new ATOM 0 HA TYR A 62 31.092 19.108 -0.933 1.00 11.35 H new ATOM 0 HB2 TYR A 62 30.403 18.973 -3.180 1.00 54.34 H new ATOM 0 HB3 TYR A 62 28.701 19.064 -2.773 1.00 54.34 H new ATOM 0 HD1 TYR A 62 31.813 21.152 -2.503 1.00 11.41 H new ATOM 0 HD2 TYR A 62 27.596 21.095 -3.115 1.00 44.41 H new ATOM 0 HE1 TYR A 62 31.843 23.571 -2.920 1.00 55.42 H new ATOM 0 HE2 TYR A 62 27.624 23.514 -3.538 1.00 52.23 H new ATOM 0 HH TYR A 62 28.841 25.353 -3.682 1.00 62.22 H new ATOM 1045 N HIS A 63 28.185 19.764 0.372 1.00 71.13 N ATOM 1046 CA HIS A 63 27.471 20.639 1.294 1.00 12.33 C ATOM 1047 C HIS A 63 28.158 20.669 2.656 1.00 13.43 C ATOM 1048 O HIS A 63 28.012 21.627 3.416 1.00 43.40 O ATOM 1049 CB HIS A 63 26.022 20.177 1.451 1.00 31.01 C ATOM 1050 CG HIS A 63 25.260 20.147 0.162 1.00 61.31 C ATOM 1051 ND1 HIS A 63 24.191 19.304 -0.061 1.00 43.41 N ATOM 1052 CD2 HIS A 63 25.417 20.863 -0.976 1.00 35.10 C ATOM 1053 CE1 HIS A 63 23.724 19.503 -1.281 1.00 25.51 C ATOM 1054 NE2 HIS A 63 24.450 20.444 -1.857 1.00 63.31 N ATOM 0 H HIS A 63 27.694 18.899 0.146 1.00 71.13 H new ATOM 0 HA HIS A 63 27.480 21.647 0.879 1.00 12.33 H new ATOM 0 HB2 HIS A 63 26.013 19.180 1.892 1.00 31.01 H new ATOM 0 HB3 HIS A 63 25.512 20.840 2.150 1.00 31.01 H new ATOM 0 HD2 HIS A 63 26.163 21.622 -1.157 1.00 35.10 H new ATOM 0 HE1 HIS A 63 22.890 18.984 -1.731 1.00 25.51 H new ATOM 0 HE2 HIS A 63 24.315 20.802 -2.803 1.00 63.31 H new ATOM 1062 N LYS A 64 28.906 19.614 2.960 1.00 41.24 N ATOM 1063 CA LYS A 64 29.616 19.519 4.229 1.00 23.24 C ATOM 1064 C LYS A 64 30.953 20.251 4.161 1.00 30.54 C ATOM 1065 O LYS A 64 31.472 20.710 5.179 1.00 64.34 O ATOM 1066 CB LYS A 64 29.844 18.052 4.601 1.00 63.22 C ATOM 1067 CG LYS A 64 29.108 17.621 5.857 1.00 12.04 C ATOM 1068 CD LYS A 64 29.986 16.761 6.751 1.00 12.21 C ATOM 1069 CE LYS A 64 30.121 15.348 6.206 1.00 32.41 C ATOM 1070 NZ LYS A 64 30.512 14.379 7.267 1.00 22.03 N ATOM 0 H LYS A 64 29.036 18.812 2.344 1.00 41.24 H new ATOM 0 HA LYS A 64 29.002 19.991 4.996 1.00 23.24 H new ATOM 0 HB2 LYS A 64 29.527 17.422 3.770 1.00 63.22 H new ATOM 0 HB3 LYS A 64 30.912 17.883 4.740 1.00 63.22 H new ATOM 0 HG2 LYS A 64 28.779 18.502 6.408 1.00 12.04 H new ATOM 0 HG3 LYS A 64 28.212 17.065 5.582 1.00 12.04 H new ATOM 0 HD2 LYS A 64 30.973 17.214 6.838 1.00 12.21 H new ATOM 0 HD3 LYS A 64 29.562 16.726 7.754 1.00 12.21 H new ATOM 0 HE2 LYS A 64 29.175 15.038 5.762 1.00 32.41 H new ATOM 0 HE3 LYS A 64 30.866 15.335 5.410 1.00 32.41 H new ATOM 0 HZ1 LYS A 64 30.594 13.428 6.855 1.00 22.03 H new ATOM 0 HZ2 LYS A 64 31.427 14.660 7.674 1.00 22.03 H new ATOM 0 HZ3 LYS A 64 29.789 14.372 8.014 1.00 22.03 H new ATOM 1084 N SER A 65 31.504 20.357 2.956 1.00 31.44 N ATOM 1085 CA SER A 65 32.781 21.031 2.757 1.00 64.33 C ATOM 1086 C SER A 65 32.678 22.509 3.119 1.00 1.03 C ATOM 1087 O SER A 65 33.455 23.016 3.928 1.00 3.55 O ATOM 1088 CB SER A 65 33.240 20.881 1.305 1.00 74.23 C ATOM 1089 OG SER A 65 32.900 19.604 0.792 1.00 51.21 O ATOM 0 H SER A 65 31.086 19.985 2.103 1.00 31.44 H new ATOM 0 HA SER A 65 33.516 20.565 3.413 1.00 64.33 H new ATOM 0 HB2 SER A 65 32.780 21.657 0.693 1.00 74.23 H new ATOM 0 HB3 SER A 65 34.319 21.025 1.245 1.00 74.23 H new ATOM 0 HG SER A 65 33.202 19.534 -0.138 1.00 51.21 H new ATOM 1095 N ILE A 66 31.713 23.194 2.515 1.00 64.15 N ATOM 1096 CA ILE A 66 31.507 24.613 2.774 1.00 41.42 C ATOM 1097 C ILE A 66 30.647 24.826 4.015 1.00 5.22 C ATOM 1098 O ILE A 66 30.416 25.960 4.436 1.00 61.05 O ATOM 1099 CB ILE A 66 30.840 25.314 1.575 1.00 22.41 C ATOM 1100 CG1 ILE A 66 29.321 25.142 1.637 1.00 1.42 C ATOM 1101 CG2 ILE A 66 31.388 24.762 0.267 1.00 30.55 C ATOM 1102 CD1 ILE A 66 28.873 23.699 1.582 1.00 71.32 C ATOM 0 H ILE A 66 31.061 22.789 1.843 1.00 64.15 H new ATOM 0 HA ILE A 66 32.492 25.050 2.938 1.00 41.42 H new ATOM 0 HB ILE A 66 31.069 26.379 1.622 1.00 22.41 H new ATOM 0 HG12 ILE A 66 28.950 25.594 2.557 1.00 1.42 H new ATOM 0 HG13 ILE A 66 28.868 25.686 0.808 1.00 1.42 H new ATOM 0 HG21 ILE A 66 30.907 25.267 -0.571 1.00 30.55 H new ATOM 0 HG22 ILE A 66 32.464 24.931 0.223 1.00 30.55 H new ATOM 0 HG23 ILE A 66 31.186 23.692 0.210 1.00 30.55 H new ATOM 0 HD11 ILE A 66 27.785 23.654 1.631 1.00 71.32 H new ATOM 0 HD12 ILE A 66 29.214 23.247 0.650 1.00 71.32 H new ATOM 0 HD13 ILE A 66 29.297 23.154 2.426 1.00 71.32 H new ATOM 1114 N ARG A 67 30.178 23.728 4.599 1.00 42.24 N ATOM 1115 CA ARG A 67 29.344 23.794 5.793 1.00 44.33 C ATOM 1116 C ARG A 67 29.989 24.676 6.858 1.00 24.21 C ATOM 1117 O ARG A 67 29.298 25.346 7.626 1.00 25.24 O ATOM 1118 CB ARG A 67 29.106 22.391 6.353 1.00 61.34 C ATOM 1119 CG ARG A 67 28.329 22.380 7.659 1.00 24.11 C ATOM 1120 CD ARG A 67 26.976 23.057 7.508 1.00 30.41 C ATOM 1121 NE ARG A 67 25.985 22.510 8.431 1.00 73.33 N ATOM 1122 CZ ARG A 67 25.923 22.831 9.718 1.00 55.50 C ATOM 1123 NH1 ARG A 67 26.789 23.693 10.232 1.00 25.10 N ATOM 1124 NH2 ARG A 67 24.991 22.292 10.494 1.00 63.52 N ATOM 0 H ARG A 67 30.361 22.782 4.265 1.00 42.24 H new ATOM 0 HA ARG A 67 28.386 24.233 5.513 1.00 44.33 H new ATOM 0 HB2 ARG A 67 28.565 21.801 5.613 1.00 61.34 H new ATOM 0 HB3 ARG A 67 30.068 21.903 6.508 1.00 61.34 H new ATOM 0 HG2 ARG A 67 28.187 21.351 7.991 1.00 24.11 H new ATOM 0 HG3 ARG A 67 28.907 22.887 8.432 1.00 24.11 H new ATOM 0 HD2 ARG A 67 27.084 24.127 7.685 1.00 30.41 H new ATOM 0 HD3 ARG A 67 26.623 22.937 6.484 1.00 30.41 H new ATOM 0 HE ARG A 67 25.303 21.845 8.067 1.00 73.33 H new ATOM 0 HH11 ARG A 67 27.505 24.112 9.639 1.00 25.10 H new ATOM 0 HH12 ARG A 67 26.739 23.938 11.221 1.00 25.10 H new ATOM 0 HH21 ARG A 67 24.321 21.630 10.102 1.00 63.52 H new ATOM 0 HH22 ARG A 67 24.945 22.540 11.482 1.00 63.52 H new ATOM 1138 N HIS A 68 31.318 24.670 6.899 1.00 41.13 N ATOM 1139 CA HIS A 68 32.057 25.469 7.870 1.00 52.21 C ATOM 1140 C HIS A 68 31.611 26.928 7.825 1.00 33.52 C ATOM 1141 O HIS A 68 31.611 27.619 8.844 1.00 11.33 O ATOM 1142 CB HIS A 68 33.559 25.375 7.602 1.00 22.24 C ATOM 1143 CG HIS A 68 34.327 24.732 8.717 1.00 52.44 C ATOM 1144 ND1 HIS A 68 35.423 25.320 9.312 1.00 13.32 N ATOM 1145 CD2 HIS A 68 34.150 23.546 9.345 1.00 41.54 C ATOM 1146 CE1 HIS A 68 35.888 24.523 10.257 1.00 11.02 C ATOM 1147 NE2 HIS A 68 35.133 23.440 10.298 1.00 60.14 N ATOM 0 H HIS A 68 31.905 24.121 6.271 1.00 41.13 H new ATOM 0 HA HIS A 68 31.847 25.073 8.864 1.00 52.21 H new ATOM 0 HB2 HIS A 68 33.722 24.808 6.685 1.00 22.24 H new ATOM 0 HB3 HIS A 68 33.953 26.377 7.431 1.00 22.24 H new ATOM 0 HD2 HIS A 68 33.379 22.819 9.136 1.00 41.54 H new ATOM 0 HE1 HIS A 68 36.741 24.723 10.889 1.00 11.02 H new ATOM 0 HE2 HIS A 68 35.260 22.653 10.934 1.00 60.14 H new ATOM 1155 N LEU A 69 31.232 27.389 6.638 1.00 32.05 N ATOM 1156 CA LEU A 69 30.784 28.766 6.460 1.00 32.24 C ATOM 1157 C LEU A 69 29.319 28.917 6.857 1.00 53.33 C ATOM 1158 O LEU A 69 28.924 29.929 7.436 1.00 15.11 O ATOM 1159 CB LEU A 69 30.979 29.203 5.007 1.00 32.54 C ATOM 1160 CG LEU A 69 32.405 29.108 4.464 1.00 71.02 C ATOM 1161 CD1 LEU A 69 32.392 29.014 2.946 1.00 43.21 C ATOM 1162 CD2 LEU A 69 33.230 30.303 4.919 1.00 34.14 C ATOM 0 H LEU A 69 31.226 26.830 5.785 1.00 32.05 H new ATOM 0 HA LEU A 69 31.384 29.404 7.108 1.00 32.24 H new ATOM 0 HB2 LEU A 69 30.330 28.596 4.376 1.00 32.54 H new ATOM 0 HB3 LEU A 69 30.643 30.235 4.911 1.00 32.54 H new ATOM 0 HG LEU A 69 32.865 28.203 4.860 1.00 71.02 H new ATOM 0 HD11 LEU A 69 33.415 28.947 2.577 1.00 43.21 H new ATOM 0 HD12 LEU A 69 31.838 28.126 2.641 1.00 43.21 H new ATOM 0 HD13 LEU A 69 31.914 29.901 2.531 1.00 43.21 H new ATOM 0 HD21 LEU A 69 34.242 30.218 4.523 1.00 34.14 H new ATOM 0 HD22 LEU A 69 32.772 31.222 4.552 1.00 34.14 H new ATOM 0 HD23 LEU A 69 33.267 30.326 6.008 1.00 34.14 H new ATOM 1174 N ARG A 70 28.518 27.904 6.542 1.00 2.11 N ATOM 1175 CA ARG A 70 27.097 27.924 6.866 1.00 11.31 C ATOM 1176 C ARG A 70 26.883 27.869 8.376 1.00 54.31 C ATOM 1177 O ARG A 70 25.861 28.328 8.885 1.00 30.12 O ATOM 1178 CB ARG A 70 26.382 26.749 6.196 1.00 45.43 C ATOM 1179 CG ARG A 70 26.783 26.541 4.744 1.00 20.14 C ATOM 1180 CD ARG A 70 25.678 25.857 3.954 1.00 23.24 C ATOM 1181 NE ARG A 70 24.523 26.729 3.760 1.00 3.15 N ATOM 1182 CZ ARG A 70 24.514 27.762 2.925 1.00 4.13 C ATOM 1183 NH1 ARG A 70 25.593 28.050 2.210 1.00 21.21 N ATOM 1184 NH2 ARG A 70 23.425 28.509 2.804 1.00 54.32 N ATOM 0 H ARG A 70 28.829 27.059 6.063 1.00 2.11 H new ATOM 0 HA ARG A 70 26.678 28.857 6.490 1.00 11.31 H new ATOM 0 HB2 ARG A 70 26.593 25.838 6.757 1.00 45.43 H new ATOM 0 HB3 ARG A 70 25.306 26.912 6.247 1.00 45.43 H new ATOM 0 HG2 ARG A 70 27.016 27.503 4.288 1.00 20.14 H new ATOM 0 HG3 ARG A 70 27.691 25.939 4.699 1.00 20.14 H new ATOM 0 HD2 ARG A 70 26.065 25.547 2.983 1.00 23.24 H new ATOM 0 HD3 ARG A 70 25.366 24.953 4.476 1.00 23.24 H new ATOM 0 HE ARG A 70 23.677 26.534 4.295 1.00 3.15 H new ATOM 0 HH11 ARG A 70 26.432 27.478 2.300 1.00 21.21 H new ATOM 0 HH12 ARG A 70 25.583 28.844 1.570 1.00 21.21 H new ATOM 0 HH21 ARG A 70 22.593 28.291 3.352 1.00 54.32 H new ATOM 0 HH22 ARG A 70 23.419 29.302 2.163 1.00 54.32 H new