USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 637 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 68 TYR OH : rot -33:sc= -0.297 USER MOD Set 1.2: A 70 SER OG : rot 71:sc= 1.23 USER MOD Set 2.1: A 37 TYR OH : rot 24:sc= 0.377 USER MOD Set 2.2: A 58 ASN : amide:sc= 0.787 X(o=1.2,f=0.82) USER MOD Set 3.1: A 11 TYR OH : rot -136:sc= 1.58 USER MOD Set 3.2: A 49 LYS NZ :NH3+ 171:sc= 1.22 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0213) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.5) USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00271 USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -0.0649 (180deg=-0.294) USER MOD Single : A 23 HIS : no HE2:sc= 0.227 K(o=0.23,f=-2.6!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 148:sc= 1.12 (180deg=-0.113) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -147:sc= 0.706 (180deg=-1.33) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -120:sc= 1.25 (180deg=-0.639) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : 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 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-0.96) USER MOD Single : A 72 LYS NZ :NH3+ -134:sc= -0.338 (180deg=-1.83) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -66:sc= 1.42 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -164:sc= -0.043 (180deg=-0.29) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 8 7.278 -1.495 -12.958 1.00 3.30 N ATOM 114 CA LYS A 8 7.099 -2.821 -12.375 1.00 52.22 C ATOM 115 C LYS A 8 5.774 -2.889 -11.572 1.00 71.22 C ATOM 116 O LYS A 8 4.708 -2.578 -12.106 1.00 71.55 O ATOM 117 CB LYS A 8 8.319 -3.157 -11.494 1.00 24.51 C ATOM 118 CG LYS A 8 8.552 -4.652 -11.320 1.00 0.42 C ATOM 119 CD LYS A 8 8.774 -5.328 -12.668 1.00 50.33 C ATOM 120 CE LYS A 8 8.890 -6.835 -12.539 1.00 62.25 C ATOM 121 NZ LYS A 8 10.083 -7.246 -11.753 1.00 73.35 N ATOM 0 HA LYS A 8 7.031 -3.565 -13.169 1.00 52.22 H new ATOM 0 HB2 LYS A 8 9.209 -2.708 -11.934 1.00 24.51 H new ATOM 0 HB3 LYS A 8 8.184 -2.702 -10.513 1.00 24.51 H new ATOM 0 HG2 LYS A 8 9.418 -4.817 -10.679 1.00 0.42 H new ATOM 0 HG3 LYS A 8 7.695 -5.102 -10.820 1.00 0.42 H new ATOM 0 HD2 LYS A 8 7.948 -5.084 -13.336 1.00 50.33 H new ATOM 0 HD3 LYS A 8 9.681 -4.933 -13.126 1.00 50.33 H new ATOM 0 HE2 LYS A 8 7.991 -7.226 -12.062 1.00 62.25 H new ATOM 0 HE3 LYS A 8 8.942 -7.279 -13.533 1.00 62.25 H new ATOM 0 HZ1 LYS A 8 10.166 -8.283 -11.764 1.00 73.35 H new ATOM 0 HZ2 LYS A 8 10.937 -6.826 -12.173 1.00 73.35 H new ATOM 0 HZ3 LYS A 8 9.982 -6.917 -10.771 1.00 73.35 H new ATOM 135 N ASP A 9 5.836 -3.280 -10.298 1.00 22.43 N ATOM 136 CA ASP A 9 4.637 -3.370 -9.458 1.00 73.20 C ATOM 137 C ASP A 9 4.084 -1.972 -9.118 1.00 52.52 C ATOM 138 O ASP A 9 4.674 -1.246 -8.316 1.00 22.11 O ATOM 139 CB ASP A 9 4.965 -4.116 -8.158 1.00 44.40 C ATOM 140 CG ASP A 9 5.619 -5.461 -8.409 1.00 63.12 C ATOM 141 OD1 ASP A 9 6.848 -5.501 -8.625 1.00 64.41 O ATOM 142 OD2 ASP A 9 4.914 -6.488 -8.393 1.00 1.05 O ATOM 0 H ASP A 9 6.701 -3.539 -9.824 1.00 22.43 H new ATOM 0 HA ASP A 9 3.877 -3.915 -10.018 1.00 73.20 H new ATOM 0 HB2 ASP A 9 5.627 -3.502 -7.548 1.00 44.40 H new ATOM 0 HB3 ASP A 9 4.049 -4.262 -7.586 1.00 44.40 H new ATOM 147 N GLU A 10 2.968 -1.585 -9.734 1.00 13.55 N ATOM 148 CA GLU A 10 2.337 -0.300 -9.414 1.00 50.43 C ATOM 149 C GLU A 10 1.172 -0.498 -8.432 1.00 13.34 C ATOM 150 O GLU A 10 0.211 -1.217 -8.711 1.00 2.52 O ATOM 151 CB GLU A 10 1.880 0.432 -10.699 1.00 53.24 C ATOM 152 CG GLU A 10 0.675 -0.184 -11.425 1.00 31.12 C ATOM 153 CD GLU A 10 0.918 -0.401 -12.913 1.00 12.32 C ATOM 154 OE1 GLU A 10 1.079 0.598 -13.648 1.00 22.53 O ATOM 155 OE2 GLU A 10 0.958 -1.572 -13.351 1.00 55.45 O ATOM 0 H GLU A 10 2.486 -2.132 -10.448 1.00 13.55 H new ATOM 0 HA GLU A 10 3.079 0.333 -8.927 1.00 50.43 H new ATOM 0 HB2 GLU A 10 1.637 1.463 -10.441 1.00 53.24 H new ATOM 0 HB3 GLU A 10 2.720 0.467 -11.393 1.00 53.24 H new ATOM 0 HG2 GLU A 10 0.428 -1.139 -10.961 1.00 31.12 H new ATOM 0 HG3 GLU A 10 -0.190 0.466 -11.296 1.00 31.12 H new ATOM 162 N TYR A 11 1.288 0.116 -7.259 1.00 22.22 N ATOM 163 CA TYR A 11 0.259 0.012 -6.218 1.00 71.25 C ATOM 164 C TYR A 11 -0.741 1.169 -6.306 1.00 2.12 C ATOM 165 O TYR A 11 -0.362 2.316 -6.551 1.00 2.14 O ATOM 166 CB TYR A 11 0.905 -0.019 -4.823 1.00 53.34 C ATOM 167 CG TYR A 11 1.586 -1.339 -4.498 1.00 44.33 C ATOM 168 CD1 TYR A 11 2.736 -1.741 -5.170 1.00 24.25 C ATOM 169 CD2 TYR A 11 1.072 -2.185 -3.520 1.00 15.33 C ATOM 170 CE1 TYR A 11 3.351 -2.945 -4.879 1.00 70.53 C ATOM 171 CE2 TYR A 11 1.682 -3.388 -3.226 1.00 42.32 C ATOM 172 CZ TYR A 11 2.820 -3.763 -3.907 1.00 24.43 C ATOM 173 OH TYR A 11 3.430 -4.963 -3.613 1.00 55.44 O ATOM 0 H TYR A 11 2.087 0.695 -7.000 1.00 22.22 H new ATOM 0 HA TYR A 11 -0.283 -0.920 -6.380 1.00 71.25 H new ATOM 0 HB2 TYR A 11 1.637 0.785 -4.753 1.00 53.34 H new ATOM 0 HB3 TYR A 11 0.140 0.180 -4.073 1.00 53.34 H new ATOM 0 HD1 TYR A 11 3.156 -1.102 -5.932 1.00 24.25 H new ATOM 0 HD2 TYR A 11 0.181 -1.896 -2.982 1.00 15.33 H new ATOM 0 HE1 TYR A 11 4.243 -3.242 -5.411 1.00 70.53 H new ATOM 0 HE2 TYR A 11 1.269 -4.033 -2.465 1.00 42.32 H new ATOM 0 HH TYR A 11 2.750 -5.664 -3.532 1.00 55.44 H new ATOM 183 N TYR A 12 -2.017 0.856 -6.105 1.00 73.32 N ATOM 184 CA TYR A 12 -3.082 1.859 -6.166 1.00 34.50 C ATOM 185 C TYR A 12 -3.371 2.432 -4.771 1.00 73.41 C ATOM 186 O TYR A 12 -4.050 1.804 -3.960 1.00 64.20 O ATOM 187 CB TYR A 12 -4.355 1.234 -6.757 1.00 4.54 C ATOM 188 CG TYR A 12 -4.128 0.521 -8.081 1.00 64.21 C ATOM 189 CD1 TYR A 12 -4.003 1.235 -9.268 1.00 10.53 C ATOM 190 CD2 TYR A 12 -4.034 -0.868 -8.140 1.00 73.43 C ATOM 191 CE1 TYR A 12 -3.794 0.589 -10.471 1.00 5.02 C ATOM 192 CE2 TYR A 12 -3.822 -1.519 -9.342 1.00 12.31 C ATOM 193 CZ TYR A 12 -3.704 -0.786 -10.505 1.00 4.35 C ATOM 194 OH TYR A 12 -3.489 -1.430 -11.706 1.00 74.43 O ATOM 0 H TYR A 12 -2.343 -0.088 -5.897 1.00 73.32 H new ATOM 0 HA TYR A 12 -2.753 2.676 -6.809 1.00 34.50 H new ATOM 0 HB2 TYR A 12 -4.768 0.526 -6.039 1.00 4.54 H new ATOM 0 HB3 TYR A 12 -5.101 2.016 -6.899 1.00 4.54 H new ATOM 0 HD1 TYR A 12 -4.070 2.313 -9.249 1.00 10.53 H new ATOM 0 HD2 TYR A 12 -4.128 -1.446 -7.232 1.00 73.43 H new ATOM 0 HE1 TYR A 12 -3.701 1.160 -11.383 1.00 5.02 H new ATOM 0 HE2 TYR A 12 -3.749 -2.596 -9.370 1.00 12.31 H new ATOM 0 HH TYR A 12 -3.450 -2.398 -11.556 1.00 74.43 H new ATOM 204 N VAL A 13 -2.834 3.617 -4.488 1.00 14.35 N ATOM 205 CA VAL A 13 -3.047 4.272 -3.189 1.00 55.50 C ATOM 206 C VAL A 13 -3.965 5.492 -3.323 1.00 34.54 C ATOM 207 O VAL A 13 -4.166 6.016 -4.419 1.00 53.43 O ATOM 208 CB VAL A 13 -1.704 4.707 -2.542 1.00 62.45 C ATOM 209 CG1 VAL A 13 -0.807 3.495 -2.287 1.00 33.23 C ATOM 210 CG2 VAL A 13 -0.990 5.745 -3.410 1.00 11.41 C ATOM 0 H VAL A 13 -2.249 4.146 -5.135 1.00 14.35 H new ATOM 0 HA VAL A 13 -3.526 3.537 -2.543 1.00 55.50 H new ATOM 0 HB VAL A 13 -1.926 5.171 -1.581 1.00 62.45 H new ATOM 0 HG11 VAL A 13 0.128 3.823 -1.833 1.00 33.23 H new ATOM 0 HG12 VAL A 13 -1.313 2.803 -1.614 1.00 33.23 H new ATOM 0 HG13 VAL A 13 -0.596 2.994 -3.231 1.00 33.23 H new ATOM 0 HG21 VAL A 13 -0.052 6.033 -2.935 1.00 11.41 H new ATOM 0 HG22 VAL A 13 -0.784 5.318 -4.392 1.00 11.41 H new ATOM 0 HG23 VAL A 13 -1.625 6.624 -3.523 1.00 11.41 H new ATOM 220 N GLN A 14 -4.520 5.944 -2.201 1.00 34.51 N ATOM 221 CA GLN A 14 -5.409 7.109 -2.196 1.00 13.52 C ATOM 222 C GLN A 14 -5.030 8.070 -1.055 1.00 14.03 C ATOM 223 O GLN A 14 -4.641 7.632 0.031 1.00 44.53 O ATOM 224 CB GLN A 14 -6.877 6.646 -2.071 1.00 44.32 C ATOM 225 CG GLN A 14 -7.888 7.622 -2.670 1.00 24.14 C ATOM 226 CD GLN A 14 -8.076 8.886 -1.850 1.00 10.33 C ATOM 227 OE1 GLN A 14 -8.048 8.861 -0.624 1.00 15.13 O ATOM 228 NE2 GLN A 14 -8.227 10.008 -2.519 1.00 71.54 N ATOM 0 H GLN A 14 -4.372 5.524 -1.283 1.00 34.51 H new ATOM 0 HA GLN A 14 -5.297 7.649 -3.136 1.00 13.52 H new ATOM 0 HB2 GLN A 14 -6.986 5.679 -2.562 1.00 44.32 H new ATOM 0 HB3 GLN A 14 -7.112 6.496 -1.017 1.00 44.32 H new ATOM 0 HG2 GLN A 14 -7.564 7.896 -3.674 1.00 24.14 H new ATOM 0 HG3 GLN A 14 -8.850 7.119 -2.771 1.00 24.14 H new ATOM 0 HE21 GLN A 14 -8.246 9.995 -3.539 1.00 71.54 H new ATOM 0 HE22 GLN A 14 -8.325 10.891 -2.018 1.00 71.54 H new ATOM 237 N ILE A 15 -5.139 9.375 -1.308 1.00 65.41 N ATOM 238 CA ILE A 15 -4.732 10.393 -0.330 1.00 54.01 C ATOM 239 C ILE A 15 -5.674 10.434 0.888 1.00 70.02 C ATOM 240 O ILE A 15 -6.705 11.114 0.877 1.00 54.54 O ATOM 241 CB ILE A 15 -4.665 11.802 -0.977 1.00 62.12 C ATOM 242 CG1 ILE A 15 -3.805 11.768 -2.251 1.00 62.34 C ATOM 243 CG2 ILE A 15 -4.121 12.832 0.014 1.00 52.20 C ATOM 244 CD1 ILE A 15 -2.382 11.301 -2.021 1.00 64.43 C ATOM 0 H ILE A 15 -5.505 9.755 -2.181 1.00 65.41 H new ATOM 0 HA ILE A 15 -3.737 10.109 0.013 1.00 54.01 H new ATOM 0 HB ILE A 15 -5.677 12.100 -1.251 1.00 62.12 H new ATOM 0 HG12 ILE A 15 -4.279 11.111 -2.980 1.00 62.34 H new ATOM 0 HG13 ILE A 15 -3.783 12.766 -2.689 1.00 62.34 H new ATOM 0 HG21 ILE A 15 -4.084 13.811 -0.463 1.00 52.20 H new ATOM 0 HG22 ILE A 15 -4.773 12.878 0.886 1.00 52.20 H new ATOM 0 HG23 ILE A 15 -3.118 12.542 0.326 1.00 52.20 H new ATOM 0 HD11 ILE A 15 -1.840 11.305 -2.967 1.00 64.43 H new ATOM 0 HD12 ILE A 15 -1.888 11.971 -1.317 1.00 64.43 H new ATOM 0 HD13 ILE A 15 -2.392 10.290 -1.613 1.00 64.43 H new ATOM 256 N THR A 16 -5.316 9.689 1.931 1.00 55.12 N ATOM 257 CA THR A 16 -6.093 9.665 3.178 1.00 65.31 C ATOM 258 C THR A 16 -5.660 10.792 4.128 1.00 32.00 C ATOM 259 O THR A 16 -6.433 11.710 4.415 1.00 62.10 O ATOM 260 CB THR A 16 -5.946 8.303 3.904 1.00 73.30 C ATOM 261 OG1 THR A 16 -4.562 8.045 4.207 1.00 15.22 O ATOM 262 CG2 THR A 16 -6.497 7.170 3.046 1.00 3.24 C ATOM 0 H THR A 16 -4.490 9.090 1.942 1.00 55.12 H new ATOM 0 HA THR A 16 -7.137 9.813 2.903 1.00 65.31 H new ATOM 0 HB THR A 16 -6.516 8.353 4.832 1.00 73.30 H new ATOM 0 HG1 THR A 16 -4.483 7.183 4.667 1.00 15.22 H new ATOM 0 HG21 THR A 16 -6.383 6.224 3.576 1.00 3.24 H new ATOM 0 HG22 THR A 16 -7.553 7.348 2.843 1.00 3.24 H new ATOM 0 HG23 THR A 16 -5.949 7.127 2.105 1.00 3.24 H new ATOM 270 N VAL A 17 -4.420 10.717 4.609 1.00 60.41 N ATOM 271 CA VAL A 17 -3.860 11.746 5.496 1.00 1.54 C ATOM 272 C VAL A 17 -3.034 12.790 4.714 1.00 41.42 C ATOM 273 O VAL A 17 -1.944 12.501 4.215 1.00 44.15 O ATOM 274 CB VAL A 17 -2.987 11.111 6.613 1.00 21.34 C ATOM 275 CG1 VAL A 17 -3.856 10.323 7.592 1.00 52.11 C ATOM 276 CG2 VAL A 17 -1.898 10.211 6.023 1.00 52.42 C ATOM 0 H VAL A 17 -3.778 9.952 4.400 1.00 60.41 H new ATOM 0 HA VAL A 17 -4.705 12.257 5.958 1.00 1.54 H new ATOM 0 HB VAL A 17 -2.498 11.921 7.154 1.00 21.34 H new ATOM 0 HG11 VAL A 17 -3.226 9.886 8.367 1.00 52.11 H new ATOM 0 HG12 VAL A 17 -4.585 10.991 8.051 1.00 52.11 H new ATOM 0 HG13 VAL A 17 -4.378 9.529 7.058 1.00 52.11 H new ATOM 0 HG21 VAL A 17 -1.304 9.782 6.830 1.00 52.42 H new ATOM 0 HG22 VAL A 17 -2.361 9.410 5.447 1.00 52.42 H new ATOM 0 HG23 VAL A 17 -1.253 10.800 5.371 1.00 52.42 H new ATOM 286 N ASP A 18 -3.566 14.008 4.611 1.00 31.45 N ATOM 287 CA ASP A 18 -2.906 15.090 3.868 1.00 1.50 C ATOM 288 C ASP A 18 -2.479 16.250 4.794 1.00 4.14 C ATOM 289 O ASP A 18 -2.665 16.198 6.013 1.00 73.11 O ATOM 290 CB ASP A 18 -3.850 15.606 2.774 1.00 31.30 C ATOM 291 CG ASP A 18 -5.114 16.234 3.343 1.00 61.10 C ATOM 292 OD1 ASP A 18 -5.942 15.504 3.925 1.00 22.40 O ATOM 293 OD2 ASP A 18 -5.288 17.463 3.212 1.00 63.30 O ATOM 0 H ASP A 18 -4.456 14.274 5.033 1.00 31.45 H new ATOM 0 HA ASP A 18 -2.000 14.686 3.417 1.00 1.50 H new ATOM 0 HB2 ASP A 18 -3.326 16.341 2.164 1.00 31.30 H new ATOM 0 HB3 ASP A 18 -4.123 14.781 2.115 1.00 31.30 H new ATOM 298 N GLY A 19 -1.892 17.294 4.202 1.00 4.11 N ATOM 299 CA GLY A 19 -1.483 18.468 4.971 1.00 3.04 C ATOM 300 C GLY A 19 -0.280 18.224 5.890 1.00 10.12 C ATOM 301 O GLY A 19 0.058 19.078 6.713 1.00 61.40 O ATOM 0 H GLY A 19 -1.692 17.349 3.203 1.00 4.11 H new ATOM 0 HA2 GLY A 19 -1.241 19.276 4.280 1.00 3.04 H new ATOM 0 HA3 GLY A 19 -2.325 18.806 5.574 1.00 3.04 H new ATOM 305 N LYS A 20 0.347 17.054 5.768 1.00 51.23 N ATOM 306 CA LYS A 20 1.566 16.741 6.529 1.00 12.24 C ATOM 307 C LYS A 20 2.801 17.379 5.876 1.00 3.21 C ATOM 308 O LYS A 20 2.812 17.635 4.675 1.00 41.42 O ATOM 309 CB LYS A 20 1.757 15.220 6.630 1.00 42.22 C ATOM 310 CG LYS A 20 0.709 14.507 7.480 1.00 45.33 C ATOM 311 CD LYS A 20 0.935 12.995 7.492 1.00 24.01 C ATOM 312 CE LYS A 20 0.035 12.287 8.502 1.00 30.42 C ATOM 313 NZ LYS A 20 0.324 12.710 9.899 1.00 43.00 N ATOM 0 H LYS A 20 0.034 16.305 5.151 1.00 51.23 H new ATOM 0 HA LYS A 20 1.452 17.154 7.531 1.00 12.24 H new ATOM 0 HB2 LYS A 20 1.741 14.797 5.626 1.00 42.22 H new ATOM 0 HB3 LYS A 20 2.744 15.017 7.046 1.00 42.22 H new ATOM 0 HG2 LYS A 20 0.744 14.890 8.500 1.00 45.33 H new ATOM 0 HG3 LYS A 20 -0.286 14.725 7.092 1.00 45.33 H new ATOM 0 HD2 LYS A 20 0.748 12.593 6.496 1.00 24.01 H new ATOM 0 HD3 LYS A 20 1.978 12.787 7.729 1.00 24.01 H new ATOM 0 HE2 LYS A 20 -1.008 12.498 8.268 1.00 30.42 H new ATOM 0 HE3 LYS A 20 0.170 11.209 8.414 1.00 30.42 H new ATOM 0 HZ1 LYS A 20 -0.100 12.030 10.562 1.00 43.00 H new ATOM 0 HZ2 LYS A 20 1.353 12.742 10.046 1.00 43.00 H new ATOM 0 HZ3 LYS A 20 -0.079 13.654 10.066 1.00 43.00 H new ATOM 327 N GLU A 21 3.843 17.618 6.665 1.00 30.05 N ATOM 328 CA GLU A 21 5.060 18.263 6.160 1.00 23.10 C ATOM 329 C GLU A 21 6.328 17.662 6.787 1.00 34.25 C ATOM 330 O GLU A 21 6.321 17.229 7.942 1.00 15.34 O ATOM 331 CB GLU A 21 5.023 19.775 6.438 1.00 54.42 C ATOM 332 CG GLU A 21 4.935 20.132 7.921 1.00 45.32 C ATOM 333 CD GLU A 21 5.089 21.623 8.182 1.00 22.44 C ATOM 334 OE1 GLU A 21 4.160 22.393 7.854 1.00 41.44 O ATOM 335 OE2 GLU A 21 6.144 22.037 8.705 1.00 13.34 O ATOM 0 H GLU A 21 3.874 17.377 7.656 1.00 30.05 H new ATOM 0 HA GLU A 21 5.093 18.087 5.085 1.00 23.10 H new ATOM 0 HB2 GLU A 21 5.918 20.233 6.017 1.00 54.42 H new ATOM 0 HB3 GLU A 21 4.168 20.209 5.919 1.00 54.42 H new ATOM 0 HG2 GLU A 21 3.975 19.797 8.314 1.00 45.32 H new ATOM 0 HG3 GLU A 21 5.709 19.591 8.466 1.00 45.32 H new ATOM 342 N VAL A 22 7.414 17.634 6.016 1.00 22.11 N ATOM 343 CA VAL A 22 8.718 17.200 6.527 1.00 3.32 C ATOM 344 C VAL A 22 9.526 18.404 7.040 1.00 31.30 C ATOM 345 O VAL A 22 10.377 18.964 6.346 1.00 64.52 O ATOM 346 CB VAL A 22 9.527 16.409 5.459 1.00 71.43 C ATOM 347 CG1 VAL A 22 8.862 15.063 5.176 1.00 15.35 C ATOM 348 CG2 VAL A 22 9.674 17.216 4.167 1.00 12.43 C ATOM 0 H VAL A 22 7.419 17.907 5.033 1.00 22.11 H new ATOM 0 HA VAL A 22 8.533 16.522 7.360 1.00 3.32 H new ATOM 0 HB VAL A 22 10.525 16.229 5.858 1.00 71.43 H new ATOM 0 HG11 VAL A 22 9.440 14.522 4.427 1.00 15.35 H new ATOM 0 HG12 VAL A 22 8.820 14.478 6.095 1.00 15.35 H new ATOM 0 HG13 VAL A 22 7.851 15.228 4.804 1.00 15.35 H new ATOM 0 HG21 VAL A 22 10.244 16.638 3.440 1.00 12.43 H new ATOM 0 HG22 VAL A 22 8.687 17.437 3.762 1.00 12.43 H new ATOM 0 HG23 VAL A 22 10.197 18.149 4.378 1.00 12.43 H new ATOM 358 N HIS A 23 9.223 18.816 8.264 1.00 43.54 N ATOM 359 CA HIS A 23 9.838 20.005 8.863 1.00 14.03 C ATOM 360 C HIS A 23 11.229 19.698 9.426 1.00 33.43 C ATOM 361 O HIS A 23 12.010 20.606 9.717 1.00 3.13 O ATOM 362 CB HIS A 23 8.915 20.560 9.960 1.00 13.12 C ATOM 363 CG HIS A 23 9.236 21.956 10.394 1.00 5.11 C ATOM 364 ND1 HIS A 23 8.471 23.043 10.040 1.00 63.11 N ATOM 365 CD2 HIS A 23 10.232 22.441 11.169 1.00 55.41 C ATOM 366 CE1 HIS A 23 8.979 24.131 10.575 1.00 42.10 C ATOM 367 NE2 HIS A 23 10.050 23.798 11.272 1.00 55.02 N ATOM 0 H HIS A 23 8.551 18.344 8.869 1.00 43.54 H new ATOM 0 HA HIS A 23 9.967 20.757 8.085 1.00 14.03 H new ATOM 0 HB2 HIS A 23 7.887 20.532 9.600 1.00 13.12 H new ATOM 0 HB3 HIS A 23 8.967 19.902 10.828 1.00 13.12 H new ATOM 0 HD1 HIS A 23 7.638 23.010 9.453 1.00 63.11 H new ATOM 0 HD2 HIS A 23 11.025 21.866 11.624 1.00 55.41 H new ATOM 0 HE1 HIS A 23 8.586 25.131 10.463 1.00 42.10 H new ATOM 491 N TYR A 32 11.464 26.403 3.467 1.00 74.02 N ATOM 492 CA TYR A 32 11.316 25.261 2.558 1.00 20.33 C ATOM 493 C TYR A 32 10.767 24.033 3.300 1.00 2.45 C ATOM 494 O TYR A 32 11.413 23.500 4.203 1.00 34.14 O ATOM 495 CB TYR A 32 12.667 24.934 1.888 1.00 62.35 C ATOM 496 CG TYR A 32 13.775 24.510 2.849 1.00 61.33 C ATOM 497 CD1 TYR A 32 14.202 25.349 3.878 1.00 0.21 C ATOM 498 CD2 TYR A 32 14.401 23.273 2.718 1.00 25.42 C ATOM 499 CE1 TYR A 32 15.212 24.968 4.741 1.00 33.41 C ATOM 500 CE2 TYR A 32 15.411 22.886 3.579 1.00 75.21 C ATOM 501 CZ TYR A 32 15.813 23.734 4.587 1.00 32.30 C ATOM 502 OH TYR A 32 16.825 23.350 5.439 1.00 24.52 O ATOM 0 HA TYR A 32 10.598 25.531 1.783 1.00 20.33 H new ATOM 0 HB2 TYR A 32 12.512 24.137 1.161 1.00 62.35 H new ATOM 0 HB3 TYR A 32 13.003 25.810 1.334 1.00 62.35 H new ATOM 0 HD1 TYR A 32 13.735 26.315 4.003 1.00 0.21 H new ATOM 0 HD2 TYR A 32 14.092 22.603 1.929 1.00 25.42 H new ATOM 0 HE1 TYR A 32 15.530 25.632 5.532 1.00 33.41 H new ATOM 0 HE2 TYR A 32 15.883 21.922 3.462 1.00 75.21 H new ATOM 0 HH TYR A 32 17.137 22.454 5.193 1.00 24.52 H new ATOM 512 N LYS A 33 9.556 23.610 2.936 1.00 74.33 N ATOM 513 CA LYS A 33 8.904 22.460 3.575 1.00 44.15 C ATOM 514 C LYS A 33 8.111 21.639 2.546 1.00 40.13 C ATOM 515 O LYS A 33 7.126 22.122 1.984 1.00 44.33 O ATOM 516 CB LYS A 33 7.957 22.929 4.696 1.00 73.13 C ATOM 517 CG LYS A 33 8.612 23.848 5.728 1.00 72.53 C ATOM 518 CD LYS A 33 7.702 24.109 6.925 1.00 40.05 C ATOM 519 CE LYS A 33 6.372 24.738 6.522 1.00 23.43 C ATOM 520 NZ LYS A 33 5.460 24.891 7.687 1.00 2.42 N ATOM 0 H LYS A 33 9.002 24.047 2.199 1.00 74.33 H new ATOM 0 HA LYS A 33 9.684 21.831 4.004 1.00 44.15 H new ATOM 0 HB2 LYS A 33 7.111 23.450 4.247 1.00 73.13 H new ATOM 0 HB3 LYS A 33 7.557 22.054 5.208 1.00 73.13 H new ATOM 0 HG2 LYS A 33 9.544 23.399 6.073 1.00 72.53 H new ATOM 0 HG3 LYS A 33 8.870 24.796 5.256 1.00 72.53 H new ATOM 0 HD2 LYS A 33 7.513 23.170 7.445 1.00 40.05 H new ATOM 0 HD3 LYS A 33 8.213 24.766 7.629 1.00 40.05 H new ATOM 0 HE2 LYS A 33 6.553 25.714 6.071 1.00 23.43 H new ATOM 0 HE3 LYS A 33 5.892 24.120 5.763 1.00 23.43 H new ATOM 0 HZ1 LYS A 33 4.866 25.734 7.554 1.00 2.42 H new ATOM 0 HZ2 LYS A 33 4.854 24.049 7.766 1.00 2.42 H new ATOM 0 HZ3 LYS A 33 6.022 24.997 8.556 1.00 2.42 H new ATOM 534 N ASP A 34 8.544 20.408 2.293 1.00 40.52 N ATOM 535 CA ASP A 34 7.828 19.518 1.374 1.00 14.15 C ATOM 536 C ASP A 34 6.718 18.754 2.116 1.00 12.20 C ATOM 537 O ASP A 34 6.836 18.467 3.310 1.00 73.30 O ATOM 538 CB ASP A 34 8.803 18.530 0.720 1.00 20.25 C ATOM 539 CG ASP A 34 9.963 19.229 0.027 1.00 43.12 C ATOM 540 OD1 ASP A 34 9.748 19.855 -1.033 1.00 72.35 O ATOM 541 OD2 ASP A 34 11.102 19.159 0.535 1.00 33.14 O ATOM 0 H ASP A 34 9.383 20.002 2.707 1.00 40.52 H new ATOM 0 HA ASP A 34 7.369 20.127 0.595 1.00 14.15 H new ATOM 0 HB2 ASP A 34 9.193 17.852 1.480 1.00 20.25 H new ATOM 0 HB3 ASP A 34 8.265 17.920 -0.005 1.00 20.25 H new ATOM 546 N TYR A 35 5.638 18.432 1.412 1.00 23.43 N ATOM 547 CA TYR A 35 4.509 17.718 2.017 1.00 50.53 C ATOM 548 C TYR A 35 4.801 16.220 2.188 1.00 30.24 C ATOM 549 O TYR A 35 5.595 15.634 1.452 1.00 63.35 O ATOM 550 CB TYR A 35 3.234 17.910 1.187 1.00 24.12 C ATOM 551 CG TYR A 35 2.707 19.334 1.201 1.00 71.14 C ATOM 552 CD1 TYR A 35 2.137 19.874 2.350 1.00 32.21 C ATOM 553 CD2 TYR A 35 2.773 20.136 0.067 1.00 51.21 C ATOM 554 CE1 TYR A 35 1.650 21.168 2.367 1.00 61.45 C ATOM 555 CE2 TYR A 35 2.290 21.430 0.078 1.00 1.41 C ATOM 556 CZ TYR A 35 1.730 21.941 1.228 1.00 42.13 C ATOM 557 OH TYR A 35 1.236 23.227 1.233 1.00 24.31 O ATOM 0 H TYR A 35 5.516 18.652 0.423 1.00 23.43 H new ATOM 0 HA TYR A 35 4.358 18.145 3.008 1.00 50.53 H new ATOM 0 HB2 TYR A 35 3.434 17.616 0.157 1.00 24.12 H new ATOM 0 HB3 TYR A 35 2.460 17.242 1.565 1.00 24.12 H new ATOM 0 HD1 TYR A 35 2.074 19.272 3.244 1.00 32.21 H new ATOM 0 HD2 TYR A 35 3.210 19.740 -0.838 1.00 51.21 H new ATOM 0 HE1 TYR A 35 1.210 21.571 3.267 1.00 61.45 H new ATOM 0 HE2 TYR A 35 2.351 22.039 -0.812 1.00 1.41 H new ATOM 0 HH TYR A 35 1.373 23.633 0.352 1.00 24.31 H new ATOM 567 N GLU A 36 4.132 15.609 3.159 1.00 74.41 N ATOM 568 CA GLU A 36 4.328 14.195 3.483 1.00 62.21 C ATOM 569 C GLU A 36 3.021 13.399 3.316 1.00 3.33 C ATOM 570 O GLU A 36 1.963 13.810 3.797 1.00 75.12 O ATOM 571 CB GLU A 36 4.838 14.071 4.927 1.00 72.14 C ATOM 572 CG GLU A 36 5.055 12.637 5.404 1.00 54.21 C ATOM 573 CD GLU A 36 5.465 12.570 6.867 1.00 15.11 C ATOM 574 OE1 GLU A 36 4.571 12.488 7.737 1.00 73.35 O ATOM 575 OE2 GLU A 36 6.677 12.599 7.157 1.00 11.34 O ATOM 0 H GLU A 36 3.439 16.076 3.744 1.00 74.41 H new ATOM 0 HA GLU A 36 5.063 13.779 2.794 1.00 62.21 H new ATOM 0 HB2 GLU A 36 5.778 14.615 5.014 1.00 72.14 H new ATOM 0 HB3 GLU A 36 4.125 14.558 5.593 1.00 72.14 H new ATOM 0 HG2 GLU A 36 4.138 12.066 5.260 1.00 54.21 H new ATOM 0 HG3 GLU A 36 5.824 12.165 4.792 1.00 54.21 H new ATOM 582 N TYR A 37 3.102 12.261 2.629 1.00 22.44 N ATOM 583 CA TYR A 37 1.942 11.386 2.421 1.00 42.14 C ATOM 584 C TYR A 37 2.220 9.965 2.943 1.00 14.25 C ATOM 585 O TYR A 37 2.948 9.193 2.316 1.00 70.22 O ATOM 586 CB TYR A 37 1.574 11.325 0.928 1.00 25.23 C ATOM 587 CG TYR A 37 1.136 12.652 0.337 1.00 30.05 C ATOM 588 CD1 TYR A 37 -0.204 13.033 0.345 1.00 10.04 C ATOM 589 CD2 TYR A 37 2.057 13.520 -0.242 1.00 45.05 C ATOM 590 CE1 TYR A 37 -0.608 14.238 -0.202 1.00 11.23 C ATOM 591 CE2 TYR A 37 1.657 14.724 -0.791 1.00 65.11 C ATOM 592 CZ TYR A 37 0.325 15.077 -0.768 1.00 24.24 C ATOM 593 OH TYR A 37 -0.075 16.272 -1.322 1.00 50.23 O ATOM 0 H TYR A 37 3.963 11.919 2.203 1.00 22.44 H new ATOM 0 HA TYR A 37 1.106 11.805 2.980 1.00 42.14 H new ATOM 0 HB2 TYR A 37 2.435 10.958 0.369 1.00 25.23 H new ATOM 0 HB3 TYR A 37 0.773 10.599 0.793 1.00 25.23 H new ATOM 0 HD1 TYR A 37 -0.940 12.377 0.786 1.00 10.04 H new ATOM 0 HD2 TYR A 37 3.102 13.248 -0.263 1.00 45.05 H new ATOM 0 HE1 TYR A 37 -1.651 14.519 -0.185 1.00 11.23 H new ATOM 0 HE2 TYR A 37 2.385 15.385 -1.236 1.00 65.11 H new ATOM 0 HH TYR A 37 -0.919 16.556 -0.913 1.00 50.23 H new ATOM 603 N LYS A 38 1.652 9.635 4.102 1.00 34.32 N ATOM 604 CA LYS A 38 1.785 8.290 4.677 1.00 34.40 C ATOM 605 C LYS A 38 0.579 7.421 4.293 1.00 51.24 C ATOM 606 O LYS A 38 -0.418 7.356 5.019 1.00 10.55 O ATOM 607 CB LYS A 38 1.922 8.365 6.206 1.00 13.25 C ATOM 608 CG LYS A 38 2.263 7.028 6.859 1.00 53.00 C ATOM 609 CD LYS A 38 2.271 7.126 8.383 1.00 31.25 C ATOM 610 CE LYS A 38 2.802 5.849 9.030 1.00 14.11 C ATOM 611 NZ LYS A 38 4.225 5.601 8.680 1.00 44.15 N ATOM 0 H LYS A 38 1.094 10.278 4.664 1.00 34.32 H new ATOM 0 HA LYS A 38 2.688 7.833 4.272 1.00 34.40 H new ATOM 0 HB2 LYS A 38 2.696 9.090 6.457 1.00 13.25 H new ATOM 0 HB3 LYS A 38 0.988 8.737 6.628 1.00 13.25 H new ATOM 0 HG2 LYS A 38 1.538 6.276 6.547 1.00 53.00 H new ATOM 0 HG3 LYS A 38 3.240 6.693 6.511 1.00 53.00 H new ATOM 0 HD2 LYS A 38 2.886 7.972 8.690 1.00 31.25 H new ATOM 0 HD3 LYS A 38 1.260 7.321 8.740 1.00 31.25 H new ATOM 0 HE2 LYS A 38 2.702 5.922 10.113 1.00 14.11 H new ATOM 0 HE3 LYS A 38 2.196 5.001 8.710 1.00 14.11 H new ATOM 0 HZ1 LYS A 38 4.395 4.577 8.624 1.00 44.15 H new ATOM 0 HZ2 LYS A 38 4.438 6.038 7.761 1.00 44.15 H new ATOM 0 HZ3 LYS A 38 4.839 6.015 9.410 1.00 44.15 H new ATOM 625 N LEU A 39 0.662 6.769 3.138 1.00 31.32 N ATOM 626 CA LEU A 39 -0.474 6.013 2.593 1.00 63.33 C ATOM 627 C LEU A 39 -0.278 4.491 2.728 1.00 73.31 C ATOM 628 O LEU A 39 0.834 4.008 2.940 1.00 14.41 O ATOM 629 CB LEU A 39 -0.685 6.384 1.118 1.00 61.24 C ATOM 630 CG LEU A 39 -0.746 7.894 0.824 1.00 24.32 C ATOM 631 CD1 LEU A 39 -1.041 8.149 -0.648 1.00 41.10 C ATOM 632 CD2 LEU A 39 -1.780 8.580 1.715 1.00 61.35 C ATOM 0 H LEU A 39 1.500 6.745 2.557 1.00 31.32 H new ATOM 0 HA LEU A 39 -1.357 6.281 3.174 1.00 63.33 H new ATOM 0 HB2 LEU A 39 0.124 5.948 0.531 1.00 61.24 H new ATOM 0 HB3 LEU A 39 -1.612 5.925 0.774 1.00 61.24 H new ATOM 0 HG LEU A 39 0.231 8.322 1.050 1.00 24.32 H new ATOM 0 HD11 LEU A 39 -1.079 9.223 -0.831 1.00 41.10 H new ATOM 0 HD12 LEU A 39 -0.255 7.705 -1.259 1.00 41.10 H new ATOM 0 HD13 LEU A 39 -2.000 7.702 -0.910 1.00 41.10 H new ATOM 0 HD21 LEU A 39 -1.805 9.646 1.489 1.00 61.35 H new ATOM 0 HD22 LEU A 39 -2.763 8.147 1.531 1.00 61.35 H new ATOM 0 HD23 LEU A 39 -1.511 8.437 2.761 1.00 61.35 H new ATOM 644 N THR A 40 -1.375 3.741 2.614 1.00 23.12 N ATOM 645 CA THR A 40 -1.327 2.271 2.664 1.00 21.13 C ATOM 646 C THR A 40 -1.621 1.663 1.285 1.00 63.03 C ATOM 647 O THR A 40 -2.710 1.839 0.738 1.00 74.14 O ATOM 648 CB THR A 40 -2.344 1.700 3.685 1.00 20.33 C ATOM 649 OG1 THR A 40 -2.123 2.276 4.984 1.00 50.33 O ATOM 650 CG2 THR A 40 -2.240 0.176 3.780 1.00 70.04 C ATOM 0 H THR A 40 -2.312 4.124 2.486 1.00 23.12 H new ATOM 0 HA THR A 40 -0.318 2.002 2.977 1.00 21.13 H new ATOM 0 HB THR A 40 -3.344 1.958 3.336 1.00 20.33 H new ATOM 0 HG1 THR A 40 -2.772 1.909 5.619 1.00 50.33 H new ATOM 0 HG21 THR A 40 -2.966 -0.194 4.504 1.00 70.04 H new ATOM 0 HG22 THR A 40 -2.444 -0.264 2.804 1.00 70.04 H new ATOM 0 HG23 THR A 40 -1.235 -0.101 4.100 1.00 70.04 H new ATOM 658 N GLY A 41 -0.644 0.951 0.730 1.00 43.42 N ATOM 659 CA GLY A 41 -0.819 0.303 -0.564 1.00 20.31 C ATOM 660 C GLY A 41 -1.181 -1.171 -0.443 1.00 61.21 C ATOM 661 O GLY A 41 -0.523 -1.921 0.282 1.00 13.33 O ATOM 0 H GLY A 41 0.273 0.809 1.155 1.00 43.42 H new ATOM 0 HA2 GLY A 41 -1.601 0.820 -1.121 1.00 20.31 H new ATOM 0 HA3 GLY A 41 0.101 0.400 -1.141 1.00 20.31 H new ATOM 665 N PHE A 42 -2.226 -1.587 -1.152 1.00 30.30 N ATOM 666 CA PHE A 42 -2.685 -2.977 -1.108 1.00 41.12 C ATOM 667 C PHE A 42 -2.009 -3.833 -2.191 1.00 64.31 C ATOM 668 O PHE A 42 -1.938 -3.445 -3.359 1.00 13.52 O ATOM 669 CB PHE A 42 -4.208 -3.033 -1.251 1.00 52.13 C ATOM 670 CG PHE A 42 -4.936 -2.328 -0.133 1.00 41.20 C ATOM 671 CD1 PHE A 42 -5.245 -2.999 1.043 1.00 53.14 C ATOM 672 CD2 PHE A 42 -5.301 -0.994 -0.253 1.00 14.35 C ATOM 673 CE1 PHE A 42 -5.907 -2.356 2.071 1.00 21.04 C ATOM 674 CE2 PHE A 42 -5.962 -0.347 0.774 1.00 24.24 C ATOM 675 CZ PHE A 42 -6.266 -1.030 1.936 1.00 14.30 C ATOM 0 H PHE A 42 -2.773 -0.983 -1.765 1.00 30.30 H new ATOM 0 HA PHE A 42 -2.403 -3.392 -0.141 1.00 41.12 H new ATOM 0 HB2 PHE A 42 -4.494 -2.584 -2.202 1.00 52.13 H new ATOM 0 HB3 PHE A 42 -4.526 -4.075 -1.282 1.00 52.13 H new ATOM 0 HD1 PHE A 42 -4.964 -4.036 1.155 1.00 53.14 H new ATOM 0 HD2 PHE A 42 -5.066 -0.456 -1.159 1.00 14.35 H new ATOM 0 HE1 PHE A 42 -6.143 -2.890 2.979 1.00 21.04 H new ATOM 0 HE2 PHE A 42 -6.241 0.691 0.668 1.00 24.24 H new ATOM 0 HZ PHE A 42 -6.784 -0.526 2.739 1.00 14.30 H new ATOM 685 N ASP A 43 -1.514 -4.998 -1.784 1.00 75.54 N ATOM 686 CA ASP A 43 -0.801 -5.913 -2.682 1.00 50.40 C ATOM 687 C ASP A 43 -1.771 -6.702 -3.586 1.00 33.03 C ATOM 688 O ASP A 43 -2.982 -6.718 -3.363 1.00 53.10 O ATOM 689 CB ASP A 43 0.065 -6.864 -1.838 1.00 40.01 C ATOM 690 CG ASP A 43 0.863 -7.840 -2.681 1.00 51.13 C ATOM 691 OD1 ASP A 43 1.895 -7.430 -3.255 1.00 1.32 O ATOM 692 OD2 ASP A 43 0.449 -9.014 -2.790 1.00 74.35 O ATOM 0 H ASP A 43 -1.593 -5.338 -0.826 1.00 75.54 H new ATOM 0 HA ASP A 43 -0.164 -5.329 -3.346 1.00 50.40 H new ATOM 0 HB2 ASP A 43 0.749 -6.277 -1.225 1.00 40.01 H new ATOM 0 HB3 ASP A 43 -0.576 -7.421 -1.155 1.00 40.01 H new ATOM 697 N LYS A 44 -1.217 -7.371 -4.596 1.00 61.15 N ATOM 698 CA LYS A 44 -2.006 -8.142 -5.569 1.00 55.40 C ATOM 699 C LYS A 44 -2.837 -9.255 -4.900 1.00 34.30 C ATOM 700 O LYS A 44 -3.903 -9.625 -5.392 1.00 43.02 O ATOM 701 CB LYS A 44 -1.066 -8.738 -6.626 1.00 54.54 C ATOM 702 CG LYS A 44 -0.199 -7.685 -7.313 1.00 70.45 C ATOM 703 CD LYS A 44 0.874 -8.306 -8.202 1.00 65.25 C ATOM 704 CE LYS A 44 1.796 -7.240 -8.788 1.00 31.12 C ATOM 705 NZ LYS A 44 2.950 -7.832 -9.513 1.00 53.41 N ATOM 0 H LYS A 44 -0.212 -7.397 -4.767 1.00 61.15 H new ATOM 0 HA LYS A 44 -2.714 -7.461 -6.041 1.00 55.40 H new ATOM 0 HB2 LYS A 44 -0.422 -9.480 -6.155 1.00 54.54 H new ATOM 0 HB3 LYS A 44 -1.658 -9.261 -7.378 1.00 54.54 H new ATOM 0 HG2 LYS A 44 -0.832 -7.033 -7.914 1.00 70.45 H new ATOM 0 HG3 LYS A 44 0.276 -7.060 -6.557 1.00 70.45 H new ATOM 0 HD2 LYS A 44 1.461 -9.019 -7.623 1.00 65.25 H new ATOM 0 HD3 LYS A 44 0.401 -8.865 -9.010 1.00 65.25 H new ATOM 0 HE2 LYS A 44 1.228 -6.606 -9.469 1.00 31.12 H new ATOM 0 HE3 LYS A 44 2.163 -6.599 -7.986 1.00 31.12 H new ATOM 0 HZ1 LYS A 44 3.837 -7.518 -9.070 1.00 53.41 H new ATOM 0 HZ2 LYS A 44 2.891 -8.869 -9.471 1.00 53.41 H new ATOM 0 HZ3 LYS A 44 2.931 -7.524 -10.506 1.00 53.41 H new ATOM 719 N ASP A 45 -2.343 -9.794 -3.785 1.00 13.11 N ATOM 720 CA ASP A 45 -3.090 -10.801 -3.019 1.00 60.54 C ATOM 721 C ASP A 45 -3.976 -10.131 -1.946 1.00 4.41 C ATOM 722 O ASP A 45 -4.814 -10.778 -1.313 1.00 41.21 O ATOM 723 CB ASP A 45 -2.114 -11.793 -2.372 1.00 72.30 C ATOM 724 CG ASP A 45 -2.795 -13.078 -1.927 1.00 3.11 C ATOM 725 OD1 ASP A 45 -2.994 -13.975 -2.776 1.00 11.14 O ATOM 726 OD2 ASP A 45 -3.145 -13.200 -0.736 1.00 33.31 O ATOM 0 H ASP A 45 -1.433 -9.554 -3.391 1.00 13.11 H new ATOM 0 HA ASP A 45 -3.745 -11.343 -3.701 1.00 60.54 H new ATOM 0 HB2 ASP A 45 -1.322 -12.033 -3.081 1.00 72.30 H new ATOM 0 HB3 ASP A 45 -1.639 -11.321 -1.512 1.00 72.30 H new ATOM 731 N GLY A 46 -3.793 -8.823 -1.766 1.00 25.21 N ATOM 732 CA GLY A 46 -4.569 -8.072 -0.780 1.00 1.34 C ATOM 733 C GLY A 46 -3.808 -7.790 0.514 1.00 1.22 C ATOM 734 O GLY A 46 -4.415 -7.600 1.568 1.00 41.42 O ATOM 0 H GLY A 46 -3.118 -8.264 -2.287 1.00 25.21 H new ATOM 0 HA2 GLY A 46 -4.882 -7.125 -1.221 1.00 1.34 H new ATOM 0 HA3 GLY A 46 -5.476 -8.629 -0.544 1.00 1.34 H new ATOM 738 N LYS A 47 -2.476 -7.761 0.446 1.00 13.00 N ATOM 739 CA LYS A 47 -1.648 -7.511 1.639 1.00 33.23 C ATOM 740 C LYS A 47 -1.386 -6.009 1.838 1.00 3.44 C ATOM 741 O LYS A 47 -1.737 -5.192 0.990 1.00 73.21 O ATOM 742 CB LYS A 47 -0.320 -8.273 1.535 1.00 62.31 C ATOM 743 CG LYS A 47 -0.489 -9.753 1.200 1.00 53.11 C ATOM 744 CD LYS A 47 -1.507 -10.432 2.113 1.00 10.32 C ATOM 745 CE LYS A 47 -1.726 -11.891 1.735 1.00 50.32 C ATOM 746 NZ LYS A 47 -2.875 -12.491 2.462 1.00 44.31 N ATOM 0 H LYS A 47 -1.946 -7.906 -0.413 1.00 13.00 H new ATOM 0 HA LYS A 47 -2.198 -7.872 2.508 1.00 33.23 H new ATOM 0 HB2 LYS A 47 0.299 -7.804 0.770 1.00 62.31 H new ATOM 0 HB3 LYS A 47 0.217 -8.182 2.479 1.00 62.31 H new ATOM 0 HG2 LYS A 47 -0.807 -9.856 0.162 1.00 53.11 H new ATOM 0 HG3 LYS A 47 0.473 -10.258 1.291 1.00 53.11 H new ATOM 0 HD2 LYS A 47 -1.164 -10.372 3.146 1.00 10.32 H new ATOM 0 HD3 LYS A 47 -2.455 -9.897 2.060 1.00 10.32 H new ATOM 0 HE2 LYS A 47 -1.899 -11.965 0.661 1.00 50.32 H new ATOM 0 HE3 LYS A 47 -0.823 -12.461 1.952 1.00 50.32 H new ATOM 0 HZ1 LYS A 47 -2.988 -13.484 2.174 1.00 44.31 H new ATOM 0 HZ2 LYS A 47 -2.700 -12.445 3.486 1.00 44.31 H new ATOM 0 HZ3 LYS A 47 -3.743 -11.964 2.235 1.00 44.31 H new ATOM 760 N GLU A 48 -0.762 -5.650 2.959 1.00 71.13 N ATOM 761 CA GLU A 48 -0.530 -4.238 3.299 1.00 51.44 C ATOM 762 C GLU A 48 0.951 -3.845 3.180 1.00 42.34 C ATOM 763 O GLU A 48 1.833 -4.523 3.714 1.00 1.12 O ATOM 764 CB GLU A 48 -1.011 -3.962 4.728 1.00 51.04 C ATOM 765 CG GLU A 48 -2.493 -4.248 4.951 1.00 5.33 C ATOM 766 CD GLU A 48 -2.898 -4.097 6.409 1.00 43.54 C ATOM 767 OE1 GLU A 48 -2.480 -4.936 7.231 1.00 43.51 O ATOM 768 OE2 GLU A 48 -3.618 -3.135 6.748 1.00 31.03 O ATOM 0 H GLU A 48 -0.407 -6.312 3.649 1.00 71.13 H new ATOM 0 HA GLU A 48 -1.094 -3.638 2.585 1.00 51.44 H new ATOM 0 HB2 GLU A 48 -0.427 -4.568 5.420 1.00 51.04 H new ATOM 0 HB3 GLU A 48 -0.812 -2.918 4.972 1.00 51.04 H new ATOM 0 HG2 GLU A 48 -3.088 -3.570 4.339 1.00 5.33 H new ATOM 0 HG3 GLU A 48 -2.720 -5.260 4.616 1.00 5.33 H new ATOM 775 N LYS A 49 1.215 -2.747 2.476 1.00 44.13 N ATOM 776 CA LYS A 49 2.559 -2.155 2.410 1.00 71.15 C ATOM 777 C LYS A 49 2.487 -0.638 2.634 1.00 42.34 C ATOM 778 O LYS A 49 1.572 0.023 2.147 1.00 64.14 O ATOM 779 CB LYS A 49 3.222 -2.451 1.054 1.00 12.00 C ATOM 780 CG LYS A 49 3.499 -3.933 0.813 1.00 62.11 C ATOM 781 CD LYS A 49 4.253 -4.170 -0.495 1.00 10.20 C ATOM 782 CE LYS A 49 4.557 -5.651 -0.702 1.00 74.34 C ATOM 783 NZ LYS A 49 5.306 -5.903 -1.961 1.00 75.42 N ATOM 0 H LYS A 49 0.512 -2.241 1.937 1.00 44.13 H new ATOM 0 HA LYS A 49 3.164 -2.603 3.198 1.00 71.15 H new ATOM 0 HB2 LYS A 49 2.580 -2.077 0.257 1.00 12.00 H new ATOM 0 HB3 LYS A 49 4.161 -1.901 0.992 1.00 12.00 H new ATOM 0 HG2 LYS A 49 4.080 -4.333 1.644 1.00 62.11 H new ATOM 0 HG3 LYS A 49 2.556 -4.479 0.792 1.00 62.11 H new ATOM 0 HD2 LYS A 49 3.660 -3.798 -1.331 1.00 10.20 H new ATOM 0 HD3 LYS A 49 5.184 -3.603 -0.488 1.00 10.20 H new ATOM 0 HE2 LYS A 49 5.136 -6.022 0.143 1.00 74.34 H new ATOM 0 HE3 LYS A 49 3.623 -6.212 -0.719 1.00 74.34 H new ATOM 0 HZ1 LYS A 49 5.622 -6.894 -1.985 1.00 75.42 H new ATOM 0 HZ2 LYS A 49 4.687 -5.717 -2.776 1.00 75.42 H new ATOM 0 HZ3 LYS A 49 6.134 -5.275 -2.004 1.00 75.42 H new ATOM 797 N GLU A 50 3.449 -0.086 3.370 1.00 10.15 N ATOM 798 CA GLU A 50 3.447 1.348 3.676 1.00 53.32 C ATOM 799 C GLU A 50 4.035 2.179 2.523 1.00 4.51 C ATOM 800 O GLU A 50 5.223 2.078 2.208 1.00 14.33 O ATOM 801 CB GLU A 50 4.232 1.631 4.965 1.00 45.40 C ATOM 802 CG GLU A 50 4.212 3.104 5.378 1.00 21.20 C ATOM 803 CD GLU A 50 5.028 3.385 6.630 1.00 11.20 C ATOM 804 OE1 GLU A 50 4.546 3.089 7.741 1.00 73.34 O ATOM 805 OE2 GLU A 50 6.148 3.926 6.516 1.00 34.11 O ATOM 0 H GLU A 50 4.235 -0.603 3.764 1.00 10.15 H new ATOM 0 HA GLU A 50 2.407 1.643 3.814 1.00 53.32 H new ATOM 0 HB2 GLU A 50 3.817 1.029 5.774 1.00 45.40 H new ATOM 0 HB3 GLU A 50 5.266 1.314 4.829 1.00 45.40 H new ATOM 0 HG2 GLU A 50 4.596 3.710 4.558 1.00 21.20 H new ATOM 0 HG3 GLU A 50 3.181 3.414 5.547 1.00 21.20 H new ATOM 812 N LEU A 51 3.193 2.988 1.888 1.00 10.43 N ATOM 813 CA LEU A 51 3.647 3.942 0.874 1.00 5.44 C ATOM 814 C LEU A 51 3.771 5.345 1.484 1.00 50.45 C ATOM 815 O LEU A 51 2.860 6.169 1.393 1.00 45.14 O ATOM 816 CB LEU A 51 2.694 3.964 -0.336 1.00 43.42 C ATOM 817 CG LEU A 51 2.830 2.782 -1.319 1.00 22.51 C ATOM 818 CD1 LEU A 51 4.223 2.752 -1.939 1.00 23.54 C ATOM 819 CD2 LEU A 51 2.522 1.453 -0.635 1.00 35.35 C ATOM 0 H LEU A 51 2.187 3.004 2.057 1.00 10.43 H new ATOM 0 HA LEU A 51 4.628 3.622 0.522 1.00 5.44 H new ATOM 0 HB2 LEU A 51 1.669 3.989 0.033 1.00 43.42 H new ATOM 0 HB3 LEU A 51 2.857 4.891 -0.886 1.00 43.42 H new ATOM 0 HG LEU A 51 2.099 2.928 -2.114 1.00 22.51 H new ATOM 0 HD11 LEU A 51 4.296 1.911 -2.628 1.00 23.54 H new ATOM 0 HD12 LEU A 51 4.400 3.681 -2.480 1.00 23.54 H new ATOM 0 HD13 LEU A 51 4.969 2.642 -1.152 1.00 23.54 H new ATOM 0 HD21 LEU A 51 2.627 0.641 -1.354 1.00 35.35 H new ATOM 0 HD22 LEU A 51 3.217 1.299 0.190 1.00 35.35 H new ATOM 0 HD23 LEU A 51 1.502 1.469 -0.252 1.00 35.35 H new ATOM 831 N GLU A 52 4.901 5.592 2.138 1.00 44.41 N ATOM 832 CA GLU A 52 5.172 6.886 2.764 1.00 32.21 C ATOM 833 C GLU A 52 6.156 7.699 1.912 1.00 32.24 C ATOM 834 O GLU A 52 7.371 7.478 1.954 1.00 54.12 O ATOM 835 CB GLU A 52 5.720 6.671 4.186 1.00 15.21 C ATOM 836 CG GLU A 52 5.942 7.956 4.974 1.00 44.23 C ATOM 837 CD GLU A 52 6.394 7.691 6.402 1.00 3.00 C ATOM 838 OE1 GLU A 52 7.607 7.481 6.622 1.00 22.44 O ATOM 839 OE2 GLU A 52 5.539 7.675 7.315 1.00 4.12 O ATOM 0 H GLU A 52 5.650 4.909 2.250 1.00 44.41 H new ATOM 0 HA GLU A 52 4.243 7.452 2.832 1.00 32.21 H new ATOM 0 HB2 GLU A 52 5.027 6.036 4.738 1.00 15.21 H new ATOM 0 HB3 GLU A 52 6.665 6.131 4.121 1.00 15.21 H new ATOM 0 HG2 GLU A 52 6.690 8.565 4.466 1.00 44.23 H new ATOM 0 HG3 GLU A 52 5.018 8.533 4.990 1.00 44.23 H new ATOM 846 N PHE A 53 5.621 8.628 1.124 1.00 2.42 N ATOM 847 CA PHE A 53 6.437 9.440 0.213 1.00 34.51 C ATOM 848 C PHE A 53 6.163 10.938 0.397 1.00 31.41 C ATOM 849 O PHE A 53 5.264 11.330 1.142 1.00 15.34 O ATOM 850 CB PHE A 53 6.188 9.020 -1.248 1.00 24.14 C ATOM 851 CG PHE A 53 4.739 9.090 -1.676 1.00 4.02 C ATOM 852 CD1 PHE A 53 3.877 8.027 -1.435 1.00 73.03 C ATOM 853 CD2 PHE A 53 4.241 10.215 -2.321 1.00 64.04 C ATOM 854 CE1 PHE A 53 2.553 8.086 -1.828 1.00 12.41 C ATOM 855 CE2 PHE A 53 2.917 10.278 -2.715 1.00 4.44 C ATOM 856 CZ PHE A 53 2.073 9.212 -2.469 1.00 14.05 C ATOM 0 H PHE A 53 4.624 8.841 1.095 1.00 2.42 H new ATOM 0 HA PHE A 53 7.485 9.264 0.456 1.00 34.51 H new ATOM 0 HB2 PHE A 53 6.780 9.659 -1.904 1.00 24.14 H new ATOM 0 HB3 PHE A 53 6.547 8.000 -1.387 1.00 24.14 H new ATOM 0 HD1 PHE A 53 4.246 7.144 -0.935 1.00 73.03 H new ATOM 0 HD2 PHE A 53 4.896 11.051 -2.517 1.00 64.04 H new ATOM 0 HE1 PHE A 53 1.894 7.252 -1.634 1.00 12.41 H new ATOM 0 HE2 PHE A 53 2.543 11.160 -3.214 1.00 4.44 H new ATOM 0 HZ PHE A 53 1.039 9.259 -2.777 1.00 14.05 H new ATOM 866 N THR A 54 6.949 11.774 -0.275 1.00 13.40 N ATOM 867 CA THR A 54 6.821 13.229 -0.143 1.00 5.10 C ATOM 868 C THR A 54 6.537 13.913 -1.487 1.00 45.04 C ATOM 869 O THR A 54 6.810 13.363 -2.556 1.00 42.52 O ATOM 870 CB THR A 54 8.101 13.855 0.468 1.00 12.14 C ATOM 871 OG1 THR A 54 9.236 13.568 -0.361 1.00 50.31 O ATOM 872 CG2 THR A 54 8.359 13.328 1.879 1.00 75.22 C ATOM 0 H THR A 54 7.682 11.473 -0.917 1.00 13.40 H new ATOM 0 HA THR A 54 5.974 13.395 0.522 1.00 5.10 H new ATOM 0 HB THR A 54 7.948 14.933 0.523 1.00 12.14 H new ATOM 0 HG1 THR A 54 10.039 13.969 0.033 1.00 50.31 H new ATOM 0 HG21 THR A 54 9.263 13.786 2.279 1.00 75.22 H new ATOM 0 HG22 THR A 54 7.513 13.575 2.520 1.00 75.22 H new ATOM 0 HG23 THR A 54 8.485 12.246 1.846 1.00 75.22 H new ATOM 880 N ALA A 55 5.976 15.116 -1.413 1.00 74.55 N ATOM 881 CA ALA A 55 5.712 15.941 -2.594 1.00 61.30 C ATOM 882 C ALA A 55 5.852 17.424 -2.239 1.00 50.52 C ATOM 883 O ALA A 55 5.389 17.860 -1.186 1.00 73.43 O ATOM 884 CB ALA A 55 4.326 15.648 -3.160 1.00 2.13 C ATOM 0 H ALA A 55 5.691 15.549 -0.535 1.00 74.55 H new ATOM 0 HA ALA A 55 6.445 15.696 -3.362 1.00 61.30 H new ATOM 0 HB1 ALA A 55 4.152 16.272 -4.036 1.00 2.13 H new ATOM 0 HB2 ALA A 55 4.264 14.598 -3.444 1.00 2.13 H new ATOM 0 HB3 ALA A 55 3.571 15.865 -2.404 1.00 2.13 H new ATOM 890 N GLN A 56 6.485 18.201 -3.108 1.00 55.03 N ATOM 891 CA GLN A 56 6.793 19.601 -2.800 1.00 23.51 C ATOM 892 C GLN A 56 5.519 20.458 -2.696 1.00 24.13 C ATOM 893 O GLN A 56 5.452 21.389 -1.889 1.00 22.13 O ATOM 894 CB GLN A 56 7.752 20.174 -3.853 1.00 53.01 C ATOM 895 CG GLN A 56 8.271 21.570 -3.526 1.00 41.31 C ATOM 896 CD GLN A 56 9.510 21.930 -4.323 1.00 41.51 C ATOM 897 OE1 GLN A 56 9.430 22.486 -5.413 1.00 53.02 O ATOM 898 NE2 GLN A 56 10.667 21.594 -3.793 1.00 71.23 N ATOM 0 H GLN A 56 6.796 17.892 -4.029 1.00 55.03 H new ATOM 0 HA GLN A 56 7.279 19.630 -1.825 1.00 23.51 H new ATOM 0 HB2 GLN A 56 8.601 19.499 -3.962 1.00 53.01 H new ATOM 0 HB3 GLN A 56 7.242 20.204 -4.816 1.00 53.01 H new ATOM 0 HG2 GLN A 56 7.488 22.301 -3.727 1.00 41.31 H new ATOM 0 HG3 GLN A 56 8.497 21.630 -2.461 1.00 41.31 H new ATOM 0 HE21 GLN A 56 10.697 21.132 -2.884 1.00 71.23 H new ATOM 0 HE22 GLN A 56 11.534 21.795 -4.291 1.00 71.23 H new ATOM 907 N LYS A 57 4.512 20.143 -3.509 1.00 41.42 N ATOM 908 CA LYS A 57 3.214 20.829 -3.434 1.00 72.40 C ATOM 909 C LYS A 57 2.056 19.826 -3.346 1.00 63.21 C ATOM 910 O LYS A 57 2.164 18.691 -3.814 1.00 4.50 O ATOM 911 CB LYS A 57 3.014 21.766 -4.632 1.00 35.15 C ATOM 912 CG LYS A 57 4.012 22.920 -4.677 1.00 60.12 C ATOM 913 CD LYS A 57 3.617 23.986 -5.698 1.00 3.54 C ATOM 914 CE LYS A 57 2.276 24.627 -5.358 1.00 1.41 C ATOM 915 NZ LYS A 57 1.921 25.713 -6.307 1.00 70.43 N ATOM 0 H LYS A 57 4.565 19.420 -4.227 1.00 41.42 H new ATOM 0 HA LYS A 57 3.216 21.428 -2.523 1.00 72.40 H new ATOM 0 HB2 LYS A 57 3.097 21.188 -5.553 1.00 35.15 H new ATOM 0 HB3 LYS A 57 2.003 22.172 -4.601 1.00 35.15 H new ATOM 0 HG2 LYS A 57 4.084 23.375 -3.689 1.00 60.12 H new ATOM 0 HG3 LYS A 57 5.001 22.533 -4.922 1.00 60.12 H new ATOM 0 HD2 LYS A 57 4.388 24.755 -5.737 1.00 3.54 H new ATOM 0 HD3 LYS A 57 3.564 23.537 -6.690 1.00 3.54 H new ATOM 0 HE2 LYS A 57 1.497 23.865 -5.371 1.00 1.41 H new ATOM 0 HE3 LYS A 57 2.313 25.028 -4.345 1.00 1.41 H new ATOM 0 HZ1 LYS A 57 1.003 26.121 -6.039 1.00 70.43 H new ATOM 0 HZ2 LYS A 57 2.651 26.453 -6.277 1.00 70.43 H new ATOM 0 HZ3 LYS A 57 1.860 25.326 -7.270 1.00 70.43 H new ATOM 929 N ASN A 58 0.946 20.258 -2.747 1.00 61.43 N ATOM 930 CA ASN A 58 -0.213 19.385 -2.523 1.00 10.34 C ATOM 931 C ASN A 58 -0.888 18.996 -3.852 1.00 54.41 C ATOM 932 O ASN A 58 -1.135 19.848 -4.709 1.00 4.13 O ATOM 933 CB ASN A 58 -1.220 20.082 -1.595 1.00 54.52 C ATOM 934 CG ASN A 58 -2.345 19.163 -1.152 1.00 44.44 C ATOM 935 OD1 ASN A 58 -2.160 17.961 -1.006 1.00 4.24 O ATOM 936 ND2 ASN A 58 -3.520 19.719 -0.932 1.00 21.42 N ATOM 0 H ASN A 58 0.822 21.211 -2.406 1.00 61.43 H new ATOM 0 HA ASN A 58 0.137 18.468 -2.049 1.00 10.34 H new ATOM 0 HB2 ASN A 58 -0.697 20.458 -0.716 1.00 54.52 H new ATOM 0 HB3 ASN A 58 -1.643 20.945 -2.108 1.00 54.52 H new ATOM 0 HD21 ASN A 58 -4.308 19.145 -0.631 1.00 21.42 H new ATOM 0 HD22 ASN A 58 -3.641 20.723 -1.063 1.00 21.42 H new ATOM 943 N LEU A 59 -1.182 17.708 -4.008 1.00 23.33 N ATOM 944 CA LEU A 59 -1.770 17.178 -5.249 1.00 74.41 C ATOM 945 C LEU A 59 -3.271 16.854 -5.087 1.00 24.30 C ATOM 946 O LEU A 59 -3.911 17.297 -4.135 1.00 30.54 O ATOM 947 CB LEU A 59 -0.966 15.943 -5.708 1.00 35.31 C ATOM 948 CG LEU A 59 -0.638 14.903 -4.614 1.00 41.10 C ATOM 949 CD1 LEU A 59 -1.866 14.081 -4.238 1.00 44.05 C ATOM 950 CD2 LEU A 59 0.507 13.990 -5.052 1.00 22.24 C ATOM 0 H LEU A 59 -1.024 17.002 -3.289 1.00 23.33 H new ATOM 0 HA LEU A 59 -1.709 17.947 -6.019 1.00 74.41 H new ATOM 0 HB2 LEU A 59 -1.525 15.444 -6.500 1.00 35.31 H new ATOM 0 HB3 LEU A 59 -0.029 16.287 -6.147 1.00 35.31 H new ATOM 0 HG LEU A 59 -0.320 15.452 -3.728 1.00 41.10 H new ATOM 0 HD11 LEU A 59 -1.598 13.360 -3.466 1.00 44.05 H new ATOM 0 HD12 LEU A 59 -2.646 14.743 -3.861 1.00 44.05 H new ATOM 0 HD13 LEU A 59 -2.233 13.552 -5.118 1.00 44.05 H new ATOM 0 HD21 LEU A 59 0.718 13.267 -4.264 1.00 22.24 H new ATOM 0 HD22 LEU A 59 0.223 13.462 -5.962 1.00 22.24 H new ATOM 0 HD23 LEU A 59 1.397 14.589 -5.243 1.00 22.24 H new ATOM 962 N ARG A 60 -3.828 16.096 -6.034 1.00 41.11 N ATOM 963 CA ARG A 60 -5.256 15.745 -6.007 1.00 74.34 C ATOM 964 C ARG A 60 -5.621 14.936 -4.751 1.00 40.01 C ATOM 965 O ARG A 60 -5.165 13.806 -4.573 1.00 74.14 O ATOM 966 CB ARG A 60 -5.633 14.940 -7.254 1.00 74.31 C ATOM 967 CG ARG A 60 -5.295 15.625 -8.569 1.00 65.51 C ATOM 968 CD ARG A 60 -6.019 16.958 -8.732 1.00 5.14 C ATOM 969 NE ARG A 60 -5.712 17.583 -10.017 1.00 14.00 N ATOM 970 CZ ARG A 60 -6.487 18.434 -10.634 1.00 14.22 C ATOM 971 NH1 ARG A 60 -7.634 18.768 -10.135 1.00 11.54 N ATOM 972 NH2 ARG A 60 -6.113 18.932 -11.764 1.00 44.52 N ATOM 0 H ARG A 60 -3.316 15.713 -6.829 1.00 41.11 H new ATOM 0 HA ARG A 60 -5.816 16.680 -5.989 1.00 74.34 H new ATOM 0 HB2 ARG A 60 -5.123 13.977 -7.218 1.00 74.31 H new ATOM 0 HB3 ARG A 60 -6.703 14.735 -7.230 1.00 74.31 H new ATOM 0 HG2 ARG A 60 -4.219 15.790 -8.624 1.00 65.51 H new ATOM 0 HG3 ARG A 60 -5.559 14.967 -9.397 1.00 65.51 H new ATOM 0 HD2 ARG A 60 -7.095 16.801 -8.651 1.00 5.14 H new ATOM 0 HD3 ARG A 60 -5.733 17.630 -7.922 1.00 5.14 H new ATOM 0 HE ARG A 60 -4.829 17.337 -10.464 1.00 14.00 H new ATOM 0 HH11 ARG A 60 -7.942 18.365 -9.250 1.00 11.54 H new ATOM 0 HH12 ARG A 60 -8.230 19.434 -10.627 1.00 11.54 H new ATOM 0 HH21 ARG A 60 -5.217 18.660 -12.170 1.00 44.52 H new ATOM 0 HH22 ARG A 60 -6.713 19.597 -12.252 1.00 44.52 H new ATOM 986 N LYS A 61 -6.469 15.510 -3.902 1.00 54.31 N ATOM 987 CA LYS A 61 -6.843 14.880 -2.626 1.00 71.33 C ATOM 988 C LYS A 61 -7.724 13.635 -2.822 1.00 44.02 C ATOM 989 O LYS A 61 -7.451 12.571 -2.270 1.00 35.14 O ATOM 990 CB LYS A 61 -7.591 15.882 -1.737 1.00 71.34 C ATOM 991 CG LYS A 61 -6.793 17.131 -1.381 1.00 52.10 C ATOM 992 CD LYS A 61 -7.616 18.080 -0.512 1.00 32.10 C ATOM 993 CE LYS A 61 -8.007 17.434 0.815 1.00 33.30 C ATOM 994 NZ LYS A 61 -9.002 18.245 1.561 1.00 53.41 N ATOM 0 H LYS A 61 -6.914 16.412 -4.069 1.00 54.31 H new ATOM 0 HA LYS A 61 -5.915 14.567 -2.148 1.00 71.33 H new ATOM 0 HB2 LYS A 61 -8.508 16.184 -2.244 1.00 71.34 H new ATOM 0 HB3 LYS A 61 -7.887 15.380 -0.816 1.00 71.34 H new ATOM 0 HG2 LYS A 61 -5.883 16.847 -0.853 1.00 52.10 H new ATOM 0 HG3 LYS A 61 -6.486 17.642 -2.293 1.00 52.10 H new ATOM 0 HD2 LYS A 61 -7.043 18.987 -0.320 1.00 32.10 H new ATOM 0 HD3 LYS A 61 -8.515 18.379 -1.050 1.00 32.10 H new ATOM 0 HE2 LYS A 61 -8.417 16.442 0.627 1.00 33.30 H new ATOM 0 HE3 LYS A 61 -7.116 17.300 1.429 1.00 33.30 H new ATOM 0 HZ1 LYS A 61 -9.238 17.769 2.455 1.00 53.41 H new ATOM 0 HZ2 LYS A 61 -8.603 19.184 1.764 1.00 53.41 H new ATOM 0 HZ3 LYS A 61 -9.863 18.352 0.988 1.00 53.41 H new ATOM 1008 N GLU A 62 -8.786 13.775 -3.610 1.00 34.22 N ATOM 1009 CA GLU A 62 -9.786 12.710 -3.761 1.00 35.31 C ATOM 1010 C GLU A 62 -9.506 11.811 -4.978 1.00 63.12 C ATOM 1011 O GLU A 62 -10.395 11.106 -5.468 1.00 3.30 O ATOM 1012 CB GLU A 62 -11.182 13.340 -3.852 1.00 53.25 C ATOM 1013 CG GLU A 62 -11.544 14.163 -2.618 1.00 11.15 C ATOM 1014 CD GLU A 62 -12.922 14.796 -2.705 1.00 2.22 C ATOM 1015 OE1 GLU A 62 -13.908 14.155 -2.279 1.00 3.24 O ATOM 1016 OE2 GLU A 62 -13.024 15.948 -3.178 1.00 63.31 O ATOM 0 H GLU A 62 -8.981 14.614 -4.156 1.00 34.22 H new ATOM 0 HA GLU A 62 -9.731 12.064 -2.885 1.00 35.31 H new ATOM 0 HB2 GLU A 62 -11.231 13.978 -4.735 1.00 53.25 H new ATOM 0 HB3 GLU A 62 -11.923 12.552 -3.987 1.00 53.25 H new ATOM 0 HG2 GLU A 62 -11.500 13.523 -1.737 1.00 11.15 H new ATOM 0 HG3 GLU A 62 -10.799 14.947 -2.480 1.00 11.15 H new ATOM 1023 N ALA A 63 -8.258 11.811 -5.440 1.00 61.35 N ATOM 1024 CA ALA A 63 -7.842 10.950 -6.553 1.00 0.02 C ATOM 1025 C ALA A 63 -6.964 9.789 -6.065 1.00 53.43 C ATOM 1026 O ALA A 63 -6.691 9.662 -4.871 1.00 75.03 O ATOM 1027 CB ALA A 63 -7.104 11.766 -7.606 1.00 32.10 C ATOM 0 H ALA A 63 -7.513 12.397 -5.063 1.00 61.35 H new ATOM 0 HA ALA A 63 -8.740 10.524 -7.000 1.00 0.02 H new ATOM 0 HB1 ALA A 63 -6.802 11.114 -8.425 1.00 32.10 H new ATOM 0 HB2 ALA A 63 -7.761 12.547 -7.988 1.00 32.10 H new ATOM 0 HB3 ALA A 63 -6.220 12.222 -7.160 1.00 32.10 H new ATOM 1033 N PHE A 64 -6.534 8.941 -6.995 1.00 14.33 N ATOM 1034 CA PHE A 64 -5.669 7.798 -6.676 1.00 70.42 C ATOM 1035 C PHE A 64 -4.275 7.977 -7.302 1.00 53.21 C ATOM 1036 O PHE A 64 -4.095 8.772 -8.222 1.00 55.42 O ATOM 1037 CB PHE A 64 -6.306 6.493 -7.184 1.00 31.32 C ATOM 1038 CG PHE A 64 -7.626 6.157 -6.533 1.00 2.22 C ATOM 1039 CD1 PHE A 64 -8.794 6.785 -6.942 1.00 51.23 C ATOM 1040 CD2 PHE A 64 -7.699 5.210 -5.520 1.00 21.00 C ATOM 1041 CE1 PHE A 64 -10.006 6.479 -6.353 1.00 33.00 C ATOM 1042 CE2 PHE A 64 -8.909 4.901 -4.927 1.00 75.32 C ATOM 1043 CZ PHE A 64 -10.064 5.536 -5.345 1.00 40.24 C ATOM 0 H PHE A 64 -6.770 9.021 -7.984 1.00 14.33 H new ATOM 0 HA PHE A 64 -5.559 7.745 -5.593 1.00 70.42 H new ATOM 0 HB2 PHE A 64 -6.453 6.569 -8.261 1.00 31.32 H new ATOM 0 HB3 PHE A 64 -5.610 5.672 -7.014 1.00 31.32 H new ATOM 0 HD1 PHE A 64 -8.755 7.522 -7.730 1.00 51.23 H new ATOM 0 HD2 PHE A 64 -6.800 4.709 -5.192 1.00 21.00 H new ATOM 0 HE1 PHE A 64 -10.907 6.976 -6.680 1.00 33.00 H new ATOM 0 HE2 PHE A 64 -8.952 4.165 -4.138 1.00 75.32 H new ATOM 0 HZ PHE A 64 -11.010 5.295 -4.884 1.00 40.24 H new ATOM 1053 N LEU A 65 -3.295 7.229 -6.804 1.00 73.11 N ATOM 1054 CA LEU A 65 -1.916 7.317 -7.306 1.00 32.13 C ATOM 1055 C LEU A 65 -1.332 5.931 -7.620 1.00 52.31 C ATOM 1056 O LEU A 65 -1.297 5.049 -6.759 1.00 32.12 O ATOM 1057 CB LEU A 65 -1.019 8.031 -6.278 1.00 20.10 C ATOM 1058 CG LEU A 65 -1.269 9.538 -6.104 1.00 14.32 C ATOM 1059 CD1 LEU A 65 -0.457 10.084 -4.936 1.00 75.40 C ATOM 1060 CD2 LEU A 65 -0.926 10.292 -7.384 1.00 62.02 C ATOM 0 H LEU A 65 -3.425 6.552 -6.052 1.00 73.11 H new ATOM 0 HA LEU A 65 -1.944 7.891 -8.232 1.00 32.13 H new ATOM 0 HB2 LEU A 65 -1.150 7.546 -5.311 1.00 20.10 H new ATOM 0 HB3 LEU A 65 0.021 7.886 -6.569 1.00 20.10 H new ATOM 0 HG LEU A 65 -2.328 9.684 -5.890 1.00 14.32 H new ATOM 0 HD11 LEU A 65 -0.647 11.152 -4.828 1.00 75.40 H new ATOM 0 HD12 LEU A 65 -0.747 9.570 -4.020 1.00 75.40 H new ATOM 0 HD13 LEU A 65 0.604 9.921 -5.123 1.00 75.40 H new ATOM 0 HD21 LEU A 65 -1.110 11.357 -7.240 1.00 62.02 H new ATOM 0 HD22 LEU A 65 0.125 10.135 -7.628 1.00 62.02 H new ATOM 0 HD23 LEU A 65 -1.547 9.924 -8.201 1.00 62.02 H new ATOM 1072 N ARG A 66 -0.877 5.739 -8.860 1.00 33.15 N ATOM 1073 CA ARG A 66 -0.126 4.531 -9.217 1.00 33.22 C ATOM 1074 C ARG A 66 1.345 4.679 -8.814 1.00 25.25 C ATOM 1075 O ARG A 66 2.162 5.199 -9.580 1.00 15.35 O ATOM 1076 CB ARG A 66 -0.218 4.217 -10.723 1.00 12.41 C ATOM 1077 CG ARG A 66 -1.517 3.541 -11.148 1.00 30.23 C ATOM 1078 CD ARG A 66 -1.446 3.035 -12.588 1.00 61.21 C ATOM 1079 NE ARG A 66 -2.638 2.281 -12.967 1.00 70.04 N ATOM 1080 CZ ARG A 66 -2.654 1.294 -13.823 1.00 25.24 C ATOM 1081 NH1 ARG A 66 -1.561 0.867 -14.371 1.00 12.22 N ATOM 1082 NH2 ARG A 66 -3.773 0.724 -14.109 1.00 21.23 N ATOM 0 H ARG A 66 -1.013 6.397 -9.628 1.00 33.15 H new ATOM 0 HA ARG A 66 -0.576 3.701 -8.672 1.00 33.22 H new ATOM 0 HB2 ARG A 66 -0.106 5.146 -11.283 1.00 12.41 H new ATOM 0 HB3 ARG A 66 0.619 3.575 -11.000 1.00 12.41 H new ATOM 0 HG2 ARG A 66 -1.729 2.707 -10.479 1.00 30.23 H new ATOM 0 HG3 ARG A 66 -2.343 4.246 -11.050 1.00 30.23 H new ATOM 0 HD2 ARG A 66 -1.324 3.882 -13.263 1.00 61.21 H new ATOM 0 HD3 ARG A 66 -0.566 2.403 -12.706 1.00 61.21 H new ATOM 0 HE ARG A 66 -3.522 2.544 -12.532 1.00 70.04 H new ATOM 0 HH11 ARG A 66 -0.669 1.302 -14.136 1.00 12.22 H new ATOM 0 HH12 ARG A 66 -1.592 0.095 -15.037 1.00 12.22 H new ATOM 0 HH21 ARG A 66 -4.636 1.044 -13.669 1.00 21.23 H new ATOM 0 HH22 ARG A 66 -3.797 -0.047 -14.776 1.00 21.23 H new ATOM 1096 N VAL A 67 1.674 4.243 -7.604 1.00 10.34 N ATOM 1097 CA VAL A 67 3.045 4.336 -7.095 1.00 3.32 C ATOM 1098 C VAL A 67 3.889 3.140 -7.546 1.00 12.10 C ATOM 1099 O VAL A 67 3.487 1.986 -7.394 1.00 72.32 O ATOM 1100 CB VAL A 67 3.065 4.429 -5.550 1.00 45.13 C ATOM 1101 CG1 VAL A 67 4.496 4.552 -5.030 1.00 62.21 C ATOM 1102 CG2 VAL A 67 2.210 5.604 -5.075 1.00 13.24 C ATOM 0 H VAL A 67 1.012 3.820 -6.953 1.00 10.34 H new ATOM 0 HA VAL A 67 3.477 5.247 -7.509 1.00 3.32 H new ATOM 0 HB VAL A 67 2.640 3.510 -5.146 1.00 45.13 H new ATOM 0 HG11 VAL A 67 4.484 4.616 -3.942 1.00 62.21 H new ATOM 0 HG12 VAL A 67 5.071 3.678 -5.336 1.00 62.21 H new ATOM 0 HG13 VAL A 67 4.956 5.450 -5.441 1.00 62.21 H new ATOM 0 HG21 VAL A 67 2.235 5.655 -3.986 1.00 13.24 H new ATOM 0 HG22 VAL A 67 2.603 6.532 -5.491 1.00 13.24 H new ATOM 0 HG23 VAL A 67 1.182 5.464 -5.408 1.00 13.24 H new ATOM 1112 N TYR A 68 5.055 3.428 -8.109 1.00 11.45 N ATOM 1113 CA TYR A 68 5.984 2.387 -8.548 1.00 12.43 C ATOM 1114 C TYR A 68 6.599 1.635 -7.355 1.00 32.41 C ATOM 1115 O TYR A 68 6.988 2.238 -6.352 1.00 72.31 O ATOM 1116 CB TYR A 68 7.089 3.014 -9.422 1.00 62.14 C ATOM 1117 CG TYR A 68 8.450 2.363 -9.264 1.00 21.31 C ATOM 1118 CD1 TYR A 68 8.767 1.173 -9.914 1.00 10.14 C ATOM 1119 CD2 TYR A 68 9.417 2.940 -8.449 1.00 62.33 C ATOM 1120 CE1 TYR A 68 10.005 0.582 -9.754 1.00 44.14 C ATOM 1121 CE2 TYR A 68 10.656 2.355 -8.283 1.00 12.30 C ATOM 1122 CZ TYR A 68 10.947 1.178 -8.937 1.00 44.04 C ATOM 1123 OH TYR A 68 12.182 0.592 -8.765 1.00 52.22 O ATOM 0 H TYR A 68 5.384 4.379 -8.275 1.00 11.45 H new ATOM 0 HA TYR A 68 5.427 1.658 -9.137 1.00 12.43 H new ATOM 0 HB2 TYR A 68 6.788 2.952 -10.468 1.00 62.14 H new ATOM 0 HB3 TYR A 68 7.174 4.073 -9.177 1.00 62.14 H new ATOM 0 HD1 TYR A 68 8.033 0.705 -10.553 1.00 10.14 H new ATOM 0 HD2 TYR A 68 9.195 3.864 -7.936 1.00 62.33 H new ATOM 0 HE1 TYR A 68 10.236 -0.341 -10.265 1.00 44.14 H new ATOM 0 HE2 TYR A 68 11.393 2.818 -7.644 1.00 12.30 H new ATOM 0 HH TYR A 68 12.090 -0.383 -8.803 1.00 52.22 H new ATOM 1133 N HIS A 69 6.690 0.315 -7.482 1.00 4.52 N ATOM 1134 CA HIS A 69 7.311 -0.526 -6.460 1.00 30.13 C ATOM 1135 C HIS A 69 8.120 -1.662 -7.108 1.00 65.22 C ATOM 1136 O HIS A 69 7.784 -2.144 -8.193 1.00 74.01 O ATOM 1137 CB HIS A 69 6.231 -1.106 -5.528 1.00 53.11 C ATOM 1138 CG HIS A 69 6.447 -0.811 -4.075 1.00 3.14 C ATOM 1139 ND1 HIS A 69 6.639 -1.791 -3.125 1.00 32.22 N ATOM 1140 CD2 HIS A 69 6.465 0.365 -3.402 1.00 2.10 C ATOM 1141 CE1 HIS A 69 6.762 -1.237 -1.935 1.00 53.24 C ATOM 1142 NE2 HIS A 69 6.661 0.069 -2.075 1.00 62.31 N ATOM 0 H HIS A 69 6.339 -0.200 -8.289 1.00 4.52 H new ATOM 0 HA HIS A 69 7.994 0.089 -5.874 1.00 30.13 H new ATOM 0 HB2 HIS A 69 5.260 -0.711 -5.826 1.00 53.11 H new ATOM 0 HB3 HIS A 69 6.191 -2.187 -5.665 1.00 53.11 H new ATOM 0 HD2 HIS A 69 6.347 1.350 -3.829 1.00 2.10 H new ATOM 0 HE1 HIS A 69 6.919 -1.763 -1.005 1.00 53.24 H new ATOM 0 HE2 HIS A 69 6.719 0.751 -1.319 1.00 62.31 H new ATOM 1151 N SER A 70 9.203 -2.059 -6.451 1.00 12.51 N ATOM 1152 CA SER A 70 10.014 -3.206 -6.900 1.00 34.00 C ATOM 1153 C SER A 70 10.608 -3.957 -5.699 1.00 60.34 C ATOM 1154 O SER A 70 10.221 -3.702 -4.556 1.00 73.20 O ATOM 1155 CB SER A 70 11.136 -2.736 -7.837 1.00 33.12 C ATOM 1156 OG SER A 70 10.611 -2.208 -9.045 1.00 25.12 O ATOM 0 H SER A 70 9.548 -1.609 -5.603 1.00 12.51 H new ATOM 0 HA SER A 70 9.363 -3.889 -7.446 1.00 34.00 H new ATOM 0 HB2 SER A 70 11.737 -1.977 -7.336 1.00 33.12 H new ATOM 0 HB3 SER A 70 11.800 -3.571 -8.061 1.00 33.12 H new ATOM 0 HG SER A 70 10.171 -1.351 -8.864 1.00 25.12 H new ATOM 1162 N ASP A 71 11.543 -4.881 -5.950 1.00 21.24 N ATOM 1163 CA ASP A 71 12.222 -5.613 -4.867 1.00 51.52 C ATOM 1164 C ASP A 71 12.877 -4.641 -3.865 1.00 61.44 C ATOM 1165 O ASP A 71 12.935 -4.907 -2.665 1.00 24.50 O ATOM 1166 CB ASP A 71 13.286 -6.555 -5.446 1.00 71.14 C ATOM 1167 CG ASP A 71 12.698 -7.606 -6.373 1.00 61.12 C ATOM 1168 OD1 ASP A 71 12.411 -7.278 -7.543 1.00 61.01 O ATOM 1169 OD2 ASP A 71 12.539 -8.768 -5.945 1.00 61.30 O ATOM 0 H ASP A 71 11.848 -5.141 -6.888 1.00 21.24 H new ATOM 0 HA ASP A 71 11.471 -6.200 -4.338 1.00 51.52 H new ATOM 0 HB2 ASP A 71 14.026 -5.969 -5.991 1.00 71.14 H new ATOM 0 HB3 ASP A 71 13.810 -7.050 -4.629 1.00 71.14 H new ATOM 1174 N LYS A 72 13.361 -3.514 -4.384 1.00 3.44 N ATOM 1175 CA LYS A 72 13.992 -2.462 -3.573 1.00 45.41 C ATOM 1176 C LYS A 72 12.990 -1.726 -2.663 1.00 23.02 C ATOM 1177 O LYS A 72 13.398 -1.019 -1.739 1.00 24.12 O ATOM 1178 CB LYS A 72 14.643 -1.420 -4.498 1.00 64.03 C ATOM 1179 CG LYS A 72 13.642 -0.759 -5.452 1.00 51.21 C ATOM 1180 CD LYS A 72 14.169 0.526 -6.098 1.00 40.32 C ATOM 1181 CE LYS A 72 15.439 0.309 -6.917 1.00 23.05 C ATOM 1182 NZ LYS A 72 16.658 0.265 -6.067 1.00 2.13 N ATOM 0 H LYS A 72 13.329 -3.300 -5.381 1.00 3.44 H new ATOM 0 HA LYS A 72 14.730 -2.956 -2.941 1.00 45.41 H new ATOM 0 HB2 LYS A 72 15.120 -0.651 -3.891 1.00 64.03 H new ATOM 0 HB3 LYS A 72 15.429 -1.900 -5.081 1.00 64.03 H new ATOM 0 HG2 LYS A 72 13.377 -1.468 -6.236 1.00 51.21 H new ATOM 0 HG3 LYS A 72 12.727 -0.532 -4.905 1.00 51.21 H new ATOM 0 HD2 LYS A 72 13.396 0.945 -6.742 1.00 40.32 H new ATOM 0 HD3 LYS A 72 14.368 1.262 -5.319 1.00 40.32 H new ATOM 0 HE2 LYS A 72 15.354 -0.624 -7.475 1.00 23.05 H new ATOM 0 HE3 LYS A 72 15.538 1.111 -7.649 1.00 23.05 H new ATOM 0 HZ1 LYS A 72 17.400 0.856 -6.493 1.00 2.13 H new ATOM 0 HZ2 LYS A 72 16.432 0.624 -5.117 1.00 2.13 H new ATOM 0 HZ3 LYS A 72 16.996 -0.716 -5.995 1.00 2.13 H new ATOM 1196 N LYS A 73 11.689 -1.898 -2.931 1.00 62.24 N ATOM 1197 CA LYS A 73 10.647 -1.020 -2.378 1.00 41.11 C ATOM 1198 C LYS A 73 10.796 0.388 -2.988 1.00 14.32 C ATOM 1199 O LYS A 73 10.003 0.782 -3.845 1.00 1.31 O ATOM 1200 CB LYS A 73 10.701 -0.982 -0.837 1.00 62.03 C ATOM 1201 CG LYS A 73 9.704 -0.018 -0.198 1.00 34.51 C ATOM 1202 CD LYS A 73 9.748 -0.080 1.330 1.00 72.24 C ATOM 1203 CE LYS A 73 9.321 -1.449 1.852 1.00 62.51 C ATOM 1204 NZ LYS A 73 9.375 -1.531 3.334 1.00 44.32 N ATOM 0 H LYS A 73 11.331 -2.641 -3.531 1.00 62.24 H new ATOM 0 HA LYS A 73 9.667 -1.417 -2.643 1.00 41.11 H new ATOM 0 HB2 LYS A 73 10.516 -1.985 -0.454 1.00 62.03 H new ATOM 0 HB3 LYS A 73 11.708 -0.703 -0.527 1.00 62.03 H new ATOM 0 HG2 LYS A 73 9.921 0.999 -0.526 1.00 34.51 H new ATOM 0 HG3 LYS A 73 8.698 -0.256 -0.542 1.00 34.51 H new ATOM 0 HD2 LYS A 73 10.758 0.142 1.674 1.00 72.24 H new ATOM 0 HD3 LYS A 73 9.094 0.688 1.744 1.00 72.24 H new ATOM 0 HE2 LYS A 73 8.307 -1.663 1.516 1.00 62.51 H new ATOM 0 HE3 LYS A 73 9.967 -2.216 1.424 1.00 62.51 H new ATOM 0 HZ1 LYS A 73 9.076 -2.479 3.640 1.00 44.32 H new ATOM 0 HZ2 LYS A 73 10.348 -1.353 3.656 1.00 44.32 H new ATOM 0 HZ3 LYS A 73 8.739 -0.818 3.745 1.00 44.32 H new ATOM 1218 N GLY A 74 11.834 1.114 -2.556 1.00 15.44 N ATOM 1219 CA GLY A 74 12.254 2.358 -3.213 1.00 43.40 C ATOM 1220 C GLY A 74 11.195 3.457 -3.288 1.00 42.20 C ATOM 1221 O GLY A 74 11.211 4.395 -2.490 1.00 3.13 O ATOM 0 H GLY A 74 12.402 0.859 -1.748 1.00 15.44 H new ATOM 0 HA2 GLY A 74 13.123 2.751 -2.685 1.00 43.40 H new ATOM 0 HA3 GLY A 74 12.578 2.121 -4.226 1.00 43.40 H new ATOM 1225 N VAL A 75 10.279 3.330 -4.256 1.00 60.45 N ATOM 1226 CA VAL A 75 9.308 4.387 -4.585 1.00 42.42 C ATOM 1227 C VAL A 75 10.012 5.609 -5.208 1.00 3.44 C ATOM 1228 O VAL A 75 10.645 6.404 -4.510 1.00 71.02 O ATOM 1229 CB VAL A 75 8.469 4.837 -3.354 1.00 65.34 C ATOM 1230 CG1 VAL A 75 7.528 5.987 -3.718 1.00 42.50 C ATOM 1231 CG2 VAL A 75 7.682 3.661 -2.780 1.00 70.15 C ATOM 0 H VAL A 75 10.188 2.494 -4.834 1.00 60.45 H new ATOM 0 HA VAL A 75 8.621 3.954 -5.312 1.00 42.42 H new ATOM 0 HB VAL A 75 9.160 5.196 -2.591 1.00 65.34 H new ATOM 0 HG11 VAL A 75 6.955 6.280 -2.839 1.00 42.50 H new ATOM 0 HG12 VAL A 75 8.112 6.837 -4.071 1.00 42.50 H new ATOM 0 HG13 VAL A 75 6.846 5.664 -4.505 1.00 42.50 H new ATOM 0 HG21 VAL A 75 7.102 3.996 -1.920 1.00 70.15 H new ATOM 0 HG22 VAL A 75 7.008 3.268 -3.541 1.00 70.15 H new ATOM 0 HG23 VAL A 75 8.373 2.878 -2.468 1.00 70.15 H new ATOM 1241 N SER A 76 9.912 5.744 -6.531 1.00 74.13 N ATOM 1242 CA SER A 76 10.578 6.843 -7.249 1.00 34.12 C ATOM 1243 C SER A 76 9.589 7.683 -8.070 1.00 74.41 C ATOM 1244 O SER A 76 9.680 8.910 -8.095 1.00 50.00 O ATOM 1245 CB SER A 76 11.666 6.294 -8.180 1.00 14.41 C ATOM 1246 OG SER A 76 11.112 5.462 -9.190 1.00 61.21 O ATOM 0 H SER A 76 9.380 5.112 -7.129 1.00 74.13 H new ATOM 0 HA SER A 76 11.026 7.488 -6.493 1.00 34.12 H new ATOM 0 HB2 SER A 76 12.203 7.122 -8.643 1.00 14.41 H new ATOM 0 HB3 SER A 76 12.393 5.728 -7.598 1.00 14.41 H new ATOM 0 HG SER A 76 10.728 4.660 -8.779 1.00 61.21 H new ATOM 1252 N ALA A 77 8.650 7.019 -8.748 1.00 0.04 N ATOM 1253 CA ALA A 77 7.683 7.712 -9.611 1.00 51.42 C ATOM 1254 C ALA A 77 6.232 7.298 -9.321 1.00 54.03 C ATOM 1255 O ALA A 77 5.959 6.156 -8.935 1.00 22.01 O ATOM 1256 CB ALA A 77 8.017 7.453 -11.077 1.00 31.21 C ATOM 0 H ALA A 77 8.537 6.006 -8.718 1.00 0.04 H new ATOM 0 HA ALA A 77 7.762 8.777 -9.395 1.00 51.42 H new ATOM 0 HB1 ALA A 77 7.296 7.969 -11.711 1.00 31.21 H new ATOM 0 HB2 ALA A 77 9.020 7.822 -11.292 1.00 31.21 H new ATOM 0 HB3 ALA A 77 7.974 6.382 -11.276 1.00 31.21 H new ATOM 1262 N TRP A 78 5.307 8.242 -9.514 1.00 72.24 N ATOM 1263 CA TRP A 78 3.868 7.991 -9.336 1.00 12.44 C ATOM 1264 C TRP A 78 3.023 8.843 -10.301 1.00 5.22 C ATOM 1265 O TRP A 78 3.444 9.924 -10.721 1.00 30.22 O ATOM 1266 CB TRP A 78 3.451 8.259 -7.878 1.00 24.31 C ATOM 1267 CG TRP A 78 4.006 9.535 -7.298 1.00 73.01 C ATOM 1268 CD1 TRP A 78 5.095 9.652 -6.481 1.00 64.54 C ATOM 1269 CD2 TRP A 78 3.506 10.869 -7.491 1.00 50.24 C ATOM 1270 NE1 TRP A 78 5.302 10.970 -6.155 1.00 30.23 N ATOM 1271 CE2 TRP A 78 4.342 11.736 -6.761 1.00 50.03 C ATOM 1272 CE3 TRP A 78 2.433 11.416 -8.203 1.00 22.42 C ATOM 1273 CZ2 TRP A 78 4.145 13.113 -6.729 1.00 40.22 C ATOM 1274 CZ3 TRP A 78 2.238 12.784 -8.171 1.00 43.42 C ATOM 1275 CH2 TRP A 78 3.090 13.619 -7.439 1.00 41.54 C ATOM 0 H TRP A 78 5.529 9.197 -9.796 1.00 72.24 H new ATOM 0 HA TRP A 78 3.683 6.942 -9.569 1.00 12.44 H new ATOM 0 HB2 TRP A 78 2.363 8.292 -7.824 1.00 24.31 H new ATOM 0 HB3 TRP A 78 3.775 7.422 -7.260 1.00 24.31 H new ATOM 0 HD1 TRP A 78 5.704 8.828 -6.141 1.00 64.54 H new ATOM 0 HE1 TRP A 78 6.050 11.322 -5.558 1.00 30.23 H new ATOM 0 HE3 TRP A 78 1.768 10.780 -8.768 1.00 22.42 H new ATOM 0 HZ2 TRP A 78 4.801 13.759 -6.164 1.00 40.22 H new ATOM 0 HZ3 TRP A 78 1.414 13.216 -8.720 1.00 43.42 H new ATOM 0 HH2 TRP A 78 2.911 14.684 -7.434 1.00 41.54 H new ATOM 1286 N GLU A 79 1.835 8.344 -10.655 1.00 15.30 N ATOM 1287 CA GLU A 79 0.899 9.074 -11.532 1.00 65.13 C ATOM 1288 C GLU A 79 -0.495 9.195 -10.896 1.00 72.03 C ATOM 1289 O GLU A 79 -0.930 8.313 -10.151 1.00 44.41 O ATOM 1290 CB GLU A 79 0.769 8.374 -12.894 1.00 11.22 C ATOM 1291 CG GLU A 79 1.984 8.532 -13.806 1.00 15.41 C ATOM 1292 CD GLU A 79 2.120 9.943 -14.361 1.00 10.33 C ATOM 1293 OE1 GLU A 79 2.764 10.791 -13.709 1.00 44.41 O ATOM 1294 OE2 GLU A 79 1.573 10.219 -15.453 1.00 73.11 O ATOM 0 H GLU A 79 1.493 7.433 -10.349 1.00 15.30 H new ATOM 0 HA GLU A 79 1.309 10.074 -11.672 1.00 65.13 H new ATOM 0 HB2 GLU A 79 0.592 7.312 -12.727 1.00 11.22 H new ATOM 0 HB3 GLU A 79 -0.109 8.767 -13.408 1.00 11.22 H new ATOM 0 HG2 GLU A 79 2.886 8.275 -13.251 1.00 15.41 H new ATOM 0 HG3 GLU A 79 1.907 7.826 -14.633 1.00 15.41 H new ATOM 1301 N GLU A 80 -1.193 10.281 -11.224 1.00 23.14 N ATOM 1302 CA GLU A 80 -2.537 10.553 -10.691 1.00 53.21 C ATOM 1303 C GLU A 80 -3.624 9.844 -11.526 1.00 71.43 C ATOM 1304 O GLU A 80 -3.900 10.233 -12.665 1.00 32.10 O ATOM 1305 CB GLU A 80 -2.800 12.073 -10.674 1.00 32.51 C ATOM 1306 CG GLU A 80 -1.763 12.882 -9.893 1.00 4.43 C ATOM 1307 CD GLU A 80 -1.998 14.390 -9.967 1.00 52.14 C ATOM 1308 OE1 GLU A 80 -2.122 14.924 -11.091 1.00 20.10 O ATOM 1309 OE2 GLU A 80 -2.034 15.054 -8.907 1.00 50.50 O ATOM 0 H GLU A 80 -0.849 10.997 -11.864 1.00 23.14 H new ATOM 0 HA GLU A 80 -2.581 10.164 -9.674 1.00 53.21 H new ATOM 0 HB2 GLU A 80 -2.829 12.437 -11.701 1.00 32.51 H new ATOM 0 HB3 GLU A 80 -3.785 12.255 -10.244 1.00 32.51 H new ATOM 0 HG2 GLU A 80 -1.778 12.569 -8.849 1.00 4.43 H new ATOM 0 HG3 GLU A 80 -0.769 12.656 -10.279 1.00 4.43 H new ATOM 1316 N VAL A 81 -4.228 8.802 -10.958 1.00 33.32 N ATOM 1317 CA VAL A 81 -5.301 8.056 -11.633 1.00 63.24 C ATOM 1318 C VAL A 81 -6.659 8.255 -10.930 1.00 35.24 C ATOM 1319 O VAL A 81 -6.737 8.845 -9.848 1.00 42.05 O ATOM 1320 CB VAL A 81 -4.969 6.543 -11.730 1.00 40.24 C ATOM 1321 CG1 VAL A 81 -3.707 6.323 -12.563 1.00 60.10 C ATOM 1322 CG2 VAL A 81 -4.812 5.923 -10.342 1.00 3.23 C ATOM 0 H VAL A 81 -3.995 8.450 -10.029 1.00 33.32 H new ATOM 0 HA VAL A 81 -5.375 8.458 -12.644 1.00 63.24 H new ATOM 0 HB VAL A 81 -5.803 6.047 -12.227 1.00 40.24 H new ATOM 0 HG11 VAL A 81 -3.490 5.256 -12.620 1.00 60.10 H new ATOM 0 HG12 VAL A 81 -3.861 6.716 -13.568 1.00 60.10 H new ATOM 0 HG13 VAL A 81 -2.868 6.840 -12.096 1.00 60.10 H new ATOM 0 HG21 VAL A 81 -4.580 4.863 -10.441 1.00 3.23 H new ATOM 0 HG22 VAL A 81 -4.003 6.423 -9.809 1.00 3.23 H new ATOM 0 HG23 VAL A 81 -5.741 6.040 -9.784 1.00 3.23 H new ATOM 1332 N LYS A 82 -7.729 7.763 -11.551 1.00 11.52 N ATOM 1333 CA LYS A 82 -9.092 8.005 -11.057 1.00 64.23 C ATOM 1334 C LYS A 82 -9.817 6.709 -10.668 1.00 22.42 C ATOM 1335 O LYS A 82 -9.390 5.608 -11.012 1.00 74.23 O ATOM 1336 CB LYS A 82 -9.910 8.738 -12.129 1.00 31.04 C ATOM 1337 CG LYS A 82 -9.305 10.069 -12.566 1.00 62.12 C ATOM 1338 CD LYS A 82 -10.126 10.729 -13.671 1.00 23.35 C ATOM 1339 CE LYS A 82 -10.237 9.840 -14.906 1.00 2.23 C ATOM 1340 NZ LYS A 82 -11.033 10.478 -15.986 1.00 70.53 N ATOM 0 H LYS A 82 -7.684 7.194 -12.397 1.00 11.52 H new ATOM 0 HA LYS A 82 -9.002 8.616 -10.159 1.00 64.23 H new ATOM 0 HB2 LYS A 82 -10.010 8.092 -13.001 1.00 31.04 H new ATOM 0 HB3 LYS A 82 -10.915 8.915 -11.747 1.00 31.04 H new ATOM 0 HG2 LYS A 82 -9.244 10.739 -11.709 1.00 62.12 H new ATOM 0 HG3 LYS A 82 -8.286 9.907 -12.917 1.00 62.12 H new ATOM 0 HD2 LYS A 82 -11.124 10.955 -13.296 1.00 23.35 H new ATOM 0 HD3 LYS A 82 -9.666 11.678 -13.947 1.00 23.35 H new ATOM 0 HE2 LYS A 82 -9.238 9.612 -15.279 1.00 2.23 H new ATOM 0 HE3 LYS A 82 -10.698 8.892 -14.629 1.00 2.23 H new ATOM 0 HZ1 LYS A 82 -11.082 9.839 -16.805 1.00 70.53 H new ATOM 0 HZ2 LYS A 82 -11.994 10.672 -15.640 1.00 70.53 H new ATOM 0 HZ3 LYS A 82 -10.580 11.370 -16.270 1.00 70.53 H new ATOM 1354 N LYS A 83 -10.944 6.863 -9.967 1.00 63.35 N ATOM 1355 CA LYS A 83 -11.778 5.723 -9.546 1.00 74.40 C ATOM 1356 C LYS A 83 -12.313 4.909 -10.744 1.00 21.25 C ATOM 1357 O LYS A 83 -12.791 3.789 -10.576 1.00 43.41 O ATOM 1358 CB LYS A 83 -12.966 6.216 -8.688 1.00 2.23 C ATOM 1359 CG LYS A 83 -14.125 6.837 -9.486 1.00 5.42 C ATOM 1360 CD LYS A 83 -13.738 8.139 -10.193 1.00 2.32 C ATOM 1361 CE LYS A 83 -13.611 9.311 -9.223 1.00 50.43 C ATOM 1362 NZ LYS A 83 -14.913 9.660 -8.595 1.00 74.50 N ATOM 0 H LYS A 83 -11.305 7.771 -9.675 1.00 63.35 H new ATOM 0 HA LYS A 83 -11.139 5.065 -8.956 1.00 74.40 H new ATOM 0 HB2 LYS A 83 -13.351 5.376 -8.109 1.00 2.23 H new ATOM 0 HB3 LYS A 83 -12.599 6.953 -7.974 1.00 2.23 H new ATOM 0 HG2 LYS A 83 -14.474 6.118 -10.227 1.00 5.42 H new ATOM 0 HG3 LYS A 83 -14.959 7.031 -8.812 1.00 5.42 H new ATOM 0 HD2 LYS A 83 -12.792 7.999 -10.715 1.00 2.32 H new ATOM 0 HD3 LYS A 83 -14.487 8.376 -10.949 1.00 2.32 H new ATOM 0 HE2 LYS A 83 -12.889 9.061 -8.445 1.00 50.43 H new ATOM 0 HE3 LYS A 83 -13.220 10.179 -9.753 1.00 50.43 H new ATOM 0 HZ1 LYS A 83 -14.849 10.605 -8.165 1.00 74.50 H new ATOM 0 HZ2 LYS A 83 -15.659 9.659 -9.319 1.00 74.50 H new ATOM 0 HZ3 LYS A 83 -15.143 8.961 -7.860 1.00 74.50 H new ATOM 1376 N ASP A 84 -12.226 5.477 -11.946 1.00 34.20 N ATOM 1377 CA ASP A 84 -12.784 4.848 -13.152 1.00 41.51 C ATOM 1378 C ASP A 84 -12.167 3.462 -13.428 1.00 21.33 C ATOM 1379 O ASP A 84 -12.861 2.536 -13.861 1.00 1.22 O ATOM 1380 CB ASP A 84 -12.579 5.777 -14.356 1.00 32.32 C ATOM 1381 CG ASP A 84 -13.325 5.303 -15.594 1.00 70.31 C ATOM 1382 OD1 ASP A 84 -14.559 5.141 -15.519 1.00 51.12 O ATOM 1383 OD2 ASP A 84 -12.688 5.115 -16.651 1.00 63.42 O ATOM 0 H ASP A 84 -11.773 6.375 -12.115 1.00 34.20 H new ATOM 0 HA ASP A 84 -13.850 4.691 -12.985 1.00 41.51 H new ATOM 0 HB2 ASP A 84 -12.914 6.781 -14.097 1.00 32.32 H new ATOM 0 HB3 ASP A 84 -11.515 5.844 -14.581 1.00 32.32 H new ATOM 1388 N GLU A 85 -10.867 3.319 -13.174 1.00 44.41 N ATOM 1389 CA GLU A 85 -10.182 2.032 -13.364 1.00 24.44 C ATOM 1390 C GLU A 85 -10.147 1.209 -12.064 1.00 32.12 C ATOM 1391 O GLU A 85 -9.567 0.120 -12.020 1.00 2.31 O ATOM 1392 CB GLU A 85 -8.754 2.251 -13.884 1.00 20.10 C ATOM 1393 CG GLU A 85 -7.857 3.045 -12.938 1.00 14.43 C ATOM 1394 CD GLU A 85 -6.409 3.074 -13.399 1.00 10.41 C ATOM 1395 OE1 GLU A 85 -6.088 3.847 -14.330 1.00 63.41 O ATOM 1396 OE2 GLU A 85 -5.592 2.303 -12.850 1.00 61.31 O ATOM 0 H GLU A 85 -10.266 4.071 -12.838 1.00 44.41 H new ATOM 0 HA GLU A 85 -10.750 1.469 -14.105 1.00 24.44 H new ATOM 0 HB2 GLU A 85 -8.295 1.280 -14.072 1.00 20.10 H new ATOM 0 HB3 GLU A 85 -8.804 2.771 -14.841 1.00 20.10 H new ATOM 0 HG2 GLU A 85 -8.231 4.066 -12.859 1.00 14.43 H new ATOM 0 HG3 GLU A 85 -7.909 2.608 -11.941 1.00 14.43 H new ATOM 1403 N LEU A 86 -10.789 1.730 -11.013 1.00 4.42 N ATOM 1404 CA LEU A 86 -10.837 1.060 -9.700 1.00 1.22 C ATOM 1405 C LEU A 86 -12.254 1.112 -9.080 1.00 15.41 C ATOM 1406 O LEU A 86 -12.419 1.532 -7.931 1.00 34.52 O ATOM 1407 CB LEU A 86 -9.830 1.724 -8.742 1.00 64.33 C ATOM 1408 CG LEU A 86 -8.357 1.689 -9.185 1.00 20.41 C ATOM 1409 CD1 LEU A 86 -7.493 2.538 -8.255 1.00 3.15 C ATOM 1410 CD2 LEU A 86 -7.834 0.252 -9.235 1.00 31.40 C ATOM 0 H LEU A 86 -11.287 2.620 -11.043 1.00 4.42 H new ATOM 0 HA LEU A 86 -10.576 0.013 -9.851 1.00 1.22 H new ATOM 0 HB2 LEU A 86 -10.123 2.765 -8.603 1.00 64.33 H new ATOM 0 HB3 LEU A 86 -9.908 1.238 -7.770 1.00 64.33 H new ATOM 0 HG LEU A 86 -8.299 2.108 -10.190 1.00 20.41 H new ATOM 0 HD11 LEU A 86 -6.455 2.499 -8.586 1.00 3.15 H new ATOM 0 HD12 LEU A 86 -7.842 3.570 -8.276 1.00 3.15 H new ATOM 0 HD13 LEU A 86 -7.564 2.151 -7.238 1.00 3.15 H new ATOM 0 HD21 LEU A 86 -6.791 0.255 -9.551 1.00 31.40 H new ATOM 0 HD22 LEU A 86 -7.912 -0.198 -8.245 1.00 31.40 H new ATOM 0 HD23 LEU A 86 -8.426 -0.326 -9.944 1.00 31.40 H new ATOM 1422 N PRO A 87 -13.304 0.675 -9.815 1.00 35.00 N ATOM 1423 CA PRO A 87 -14.692 0.739 -9.322 1.00 52.04 C ATOM 1424 C PRO A 87 -14.990 -0.285 -8.208 1.00 14.10 C ATOM 1425 O PRO A 87 -14.177 -1.167 -7.916 1.00 14.42 O ATOM 1426 CB PRO A 87 -15.541 0.440 -10.577 1.00 64.02 C ATOM 1427 CG PRO A 87 -14.586 0.465 -11.730 1.00 44.21 C ATOM 1428 CD PRO A 87 -13.247 0.093 -11.164 1.00 72.22 C ATOM 0 HA PRO A 87 -14.905 1.706 -8.866 1.00 52.04 H new ATOM 0 HB2 PRO A 87 -16.031 -0.530 -10.496 1.00 64.02 H new ATOM 0 HB3 PRO A 87 -16.327 1.184 -10.704 1.00 64.02 H new ATOM 0 HG2 PRO A 87 -14.891 -0.238 -12.505 1.00 44.21 H new ATOM 0 HG3 PRO A 87 -14.555 1.453 -12.190 1.00 44.21 H new ATOM 0 HD2 PRO A 87 -13.104 -0.987 -11.135 1.00 72.22 H new ATOM 0 HD3 PRO A 87 -12.428 0.508 -11.751 1.00 72.22 H new ATOM 1436 N ALA A 88 -16.177 -0.170 -7.608 1.00 11.01 N ATOM 1437 CA ALA A 88 -16.594 -1.050 -6.505 1.00 13.45 C ATOM 1438 C ALA A 88 -16.475 -2.541 -6.865 1.00 44.34 C ATOM 1439 O ALA A 88 -16.103 -3.362 -6.029 1.00 33.34 O ATOM 1440 CB ALA A 88 -18.025 -0.725 -6.092 1.00 5.12 C ATOM 0 H ALA A 88 -16.874 0.528 -7.867 1.00 11.01 H new ATOM 0 HA ALA A 88 -15.917 -0.865 -5.671 1.00 13.45 H new ATOM 0 HB1 ALA A 88 -18.326 -1.381 -5.275 1.00 5.12 H new ATOM 0 HB2 ALA A 88 -18.082 0.313 -5.764 1.00 5.12 H new ATOM 0 HB3 ALA A 88 -18.692 -0.874 -6.941 1.00 5.12 H new ATOM 1446 N LYS A 89 -16.783 -2.879 -8.116 1.00 60.02 N ATOM 1447 CA LYS A 89 -16.725 -4.273 -8.587 1.00 25.14 C ATOM 1448 C LYS A 89 -15.322 -4.889 -8.417 1.00 5.53 C ATOM 1449 O LYS A 89 -15.185 -6.109 -8.317 1.00 42.42 O ATOM 1450 CB LYS A 89 -17.166 -4.361 -10.054 1.00 2.13 C ATOM 1451 CG LYS A 89 -16.299 -3.557 -11.021 1.00 4.54 C ATOM 1452 CD LYS A 89 -16.882 -3.565 -12.434 1.00 53.33 C ATOM 1453 CE LYS A 89 -16.011 -2.796 -13.422 1.00 42.31 C ATOM 1454 NZ LYS A 89 -16.643 -2.707 -14.764 1.00 44.40 N ATOM 0 H LYS A 89 -17.076 -2.209 -8.827 1.00 60.02 H new ATOM 0 HA LYS A 89 -17.412 -4.850 -7.968 1.00 25.14 H new ATOM 0 HB2 LYS A 89 -17.158 -5.407 -10.361 1.00 2.13 H new ATOM 0 HB3 LYS A 89 -18.196 -4.013 -10.133 1.00 2.13 H new ATOM 0 HG2 LYS A 89 -16.214 -2.530 -10.667 1.00 4.54 H new ATOM 0 HG3 LYS A 89 -15.291 -3.972 -11.039 1.00 4.54 H new ATOM 0 HD2 LYS A 89 -16.991 -4.595 -12.774 1.00 53.33 H new ATOM 0 HD3 LYS A 89 -17.880 -3.128 -12.416 1.00 53.33 H new ATOM 0 HE2 LYS A 89 -15.828 -1.792 -13.040 1.00 42.31 H new ATOM 0 HE3 LYS A 89 -15.041 -3.286 -13.509 1.00 42.31 H new ATOM 0 HZ1 LYS A 89 -16.020 -2.177 -15.407 1.00 44.40 H new ATOM 0 HZ2 LYS A 89 -16.795 -3.665 -15.140 1.00 44.40 H new ATOM 0 HZ3 LYS A 89 -17.557 -2.217 -14.686 1.00 44.40 H new ATOM 1468 N VAL A 90 -14.289 -4.045 -8.376 1.00 41.33 N ATOM 1469 CA VAL A 90 -12.913 -4.505 -8.143 1.00 53.31 C ATOM 1470 C VAL A 90 -12.677 -4.804 -6.653 1.00 22.13 C ATOM 1471 O VAL A 90 -12.297 -5.919 -6.281 1.00 2.31 O ATOM 1472 CB VAL A 90 -11.877 -3.457 -8.631 1.00 31.14 C ATOM 1473 CG1 VAL A 90 -10.449 -3.931 -8.360 1.00 72.01 C ATOM 1474 CG2 VAL A 90 -12.077 -3.160 -10.117 1.00 73.11 C ATOM 0 H VAL A 90 -14.377 -3.037 -8.501 1.00 41.33 H new ATOM 0 HA VAL A 90 -12.779 -5.422 -8.716 1.00 53.31 H new ATOM 0 HB VAL A 90 -12.035 -2.535 -8.071 1.00 31.14 H new ATOM 0 HG11 VAL A 90 -9.743 -3.179 -8.711 1.00 72.01 H new ATOM 0 HG12 VAL A 90 -10.313 -4.084 -7.289 1.00 72.01 H new ATOM 0 HG13 VAL A 90 -10.271 -4.869 -8.886 1.00 72.01 H new ATOM 0 HG21 VAL A 90 -11.343 -2.423 -10.443 1.00 73.11 H new ATOM 0 HG22 VAL A 90 -11.950 -4.077 -10.692 1.00 73.11 H new ATOM 0 HG23 VAL A 90 -13.081 -2.767 -10.278 1.00 73.11 H new ATOM 1484 N LYS A 91 -12.928 -3.803 -5.801 1.00 1.53 N ATOM 1485 CA LYS A 91 -12.778 -3.963 -4.345 1.00 42.22 C ATOM 1486 C LYS A 91 -13.883 -4.863 -3.757 1.00 13.44 C ATOM 1487 O LYS A 91 -13.880 -5.169 -2.565 1.00 5.34 O ATOM 1488 CB LYS A 91 -12.763 -2.590 -3.642 1.00 23.51 C ATOM 1489 CG LYS A 91 -13.987 -1.720 -3.929 1.00 60.45 C ATOM 1490 CD LYS A 91 -13.951 -0.399 -3.158 1.00 21.33 C ATOM 1491 CE LYS A 91 -12.745 0.456 -3.539 1.00 12.22 C ATOM 1492 NZ LYS A 91 -12.689 1.714 -2.745 1.00 4.15 N ATOM 0 H LYS A 91 -13.235 -2.875 -6.091 1.00 1.53 H new ATOM 0 HA LYS A 91 -11.821 -4.454 -4.166 1.00 42.22 H new ATOM 0 HB2 LYS A 91 -12.688 -2.747 -2.566 1.00 23.51 H new ATOM 0 HB3 LYS A 91 -11.868 -2.049 -3.948 1.00 23.51 H new ATOM 0 HG2 LYS A 91 -14.041 -1.513 -4.998 1.00 60.45 H new ATOM 0 HG3 LYS A 91 -14.891 -2.269 -3.664 1.00 60.45 H new ATOM 0 HD2 LYS A 91 -14.867 0.159 -3.353 1.00 21.33 H new ATOM 0 HD3 LYS A 91 -13.925 -0.605 -2.088 1.00 21.33 H new ATOM 0 HE2 LYS A 91 -11.830 -0.115 -3.381 1.00 12.22 H new ATOM 0 HE3 LYS A 91 -12.791 0.698 -4.601 1.00 12.22 H new ATOM 0 HZ1 LYS A 91 -11.857 2.269 -3.031 1.00 4.15 H new ATOM 0 HZ2 LYS A 91 -13.551 2.270 -2.915 1.00 4.15 H new ATOM 0 HZ3 LYS A 91 -12.620 1.483 -1.733 1.00 4.15 H new