USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 389 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 24 SER OG : rot -85:sc= 1.01 USER MOD Set 1.2: A 27 THR OG1 : rot -85:sc= -1.06 USER MOD Set 2.1: A 10 TYR OH : rot 169:sc= 0.173 USER MOD Set 2.2: A 21 ASN : amide:sc= 0 X(o=0.17,f=0.03) USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.0222 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -145:sc= 1.16 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= -0.195 (180deg=-0.216) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.571 -8.536 -4.168 1.00 0.00 N ATOM 2 CA ALA A 1 3.282 -7.225 -4.128 1.00 0.00 C ATOM 3 C ALA A 1 2.693 -6.339 -3.026 1.00 0.00 C ATOM 4 O ALA A 1 1.501 -6.356 -2.777 1.00 0.00 O ATOM 5 CB ALA A 1 3.049 -6.600 -5.509 1.00 0.00 C ATOM 0 H1 ALA A 1 3.201 -9.284 -3.813 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.720 -8.488 -3.572 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.296 -8.752 -5.147 1.00 0.00 H new ATOM 0 HA ALA A 1 4.344 -7.337 -3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.543 -5.630 -5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.458 -7.255 -6.278 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.979 -6.471 -5.674 1.00 0.00 H new ATOM 13 N LYS A 2 3.518 -5.567 -2.367 1.00 0.00 N ATOM 14 CA LYS A 2 3.011 -4.678 -1.279 1.00 0.00 C ATOM 15 C LYS A 2 2.634 -3.308 -1.849 1.00 0.00 C ATOM 16 O LYS A 2 2.836 -3.036 -3.019 1.00 0.00 O ATOM 17 CB LYS A 2 4.172 -4.552 -0.295 1.00 0.00 C ATOM 18 CG LYS A 2 4.287 -5.839 0.527 1.00 0.00 C ATOM 19 CD LYS A 2 5.738 -6.037 0.967 1.00 0.00 C ATOM 20 CE LYS A 2 5.767 -6.710 2.341 1.00 0.00 C ATOM 21 NZ LYS A 2 7.108 -6.382 2.902 1.00 0.00 N ATOM 0 H LYS A 2 4.523 -5.514 -2.536 1.00 0.00 H new ATOM 0 HA LYS A 2 2.117 -5.078 -0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.101 -4.368 -0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.012 -3.699 0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.636 -5.785 1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.956 -6.692 -0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.270 -6.650 0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.251 -5.076 1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.969 -6.335 2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.627 -7.788 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.204 -6.810 3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.848 -6.757 2.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.210 -5.350 2.978 1.00 0.00 H new ATOM 35 N TRP A 3 2.085 -2.447 -1.031 1.00 0.00 N ATOM 36 CA TRP A 3 1.683 -1.091 -1.514 1.00 0.00 C ATOM 37 C TRP A 3 1.983 -0.052 -0.435 1.00 0.00 C ATOM 38 O TRP A 3 1.222 0.108 0.498 1.00 0.00 O ATOM 39 CB TRP A 3 0.177 -1.187 -1.745 1.00 0.00 C ATOM 40 CG TRP A 3 -0.099 -1.690 -3.120 1.00 0.00 C ATOM 41 CD1 TRP A 3 0.087 -2.958 -3.551 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.625 -0.948 -4.244 1.00 0.00 C ATOM 43 NE1 TRP A 3 -0.279 -3.031 -4.886 1.00 0.00 N ATOM 44 CE2 TRP A 3 -0.727 -1.812 -5.356 1.00 0.00 C ATOM 45 CE3 TRP A 3 -1.013 0.385 -4.394 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -1.202 -1.358 -6.589 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -1.494 0.852 -5.629 1.00 0.00 C ATOM 48 CH2 TRP A 3 -1.587 -0.020 -6.726 1.00 0.00 C ATOM 0 H TRP A 3 1.897 -2.626 -0.045 1.00 0.00 H new ATOM 0 HA TRP A 3 2.218 -0.793 -2.416 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -0.270 -1.855 -1.009 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.283 -0.208 -1.608 1.00 0.00 H new ATOM 0 HD1 TRP A 3 0.459 -3.778 -2.954 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -0.224 -3.879 -5.451 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.943 1.062 -3.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -1.271 -2.034 -7.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -1.793 1.884 -5.735 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -1.955 0.342 -7.674 1.00 0.00 H new ATOM 59 N VAL A 4 3.085 0.643 -0.549 1.00 0.00 N ATOM 60 CA VAL A 4 3.439 1.662 0.488 1.00 0.00 C ATOM 61 C VAL A 4 2.851 3.032 0.142 1.00 0.00 C ATOM 62 O VAL A 4 2.667 3.375 -1.010 1.00 0.00 O ATOM 63 CB VAL A 4 4.973 1.712 0.500 1.00 0.00 C ATOM 64 CG1 VAL A 4 5.502 2.147 -0.877 1.00 0.00 C ATOM 65 CG2 VAL A 4 5.445 2.705 1.573 1.00 0.00 C ATOM 0 H VAL A 4 3.755 0.551 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 4 3.033 1.398 1.464 1.00 0.00 H new ATOM 0 HB VAL A 4 5.359 0.718 0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.591 2.178 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.175 1.434 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.115 3.137 -1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.534 2.741 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.051 3.697 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.085 2.383 2.550 1.00 0.00 H new ATOM 75 N LEU A 5 2.570 3.815 1.149 1.00 0.00 N ATOM 76 CA LEU A 5 2.007 5.174 0.928 1.00 0.00 C ATOM 77 C LEU A 5 3.129 6.210 1.042 1.00 0.00 C ATOM 78 O LEU A 5 3.554 6.558 2.129 1.00 0.00 O ATOM 79 CB LEU A 5 0.977 5.360 2.053 1.00 0.00 C ATOM 80 CG LEU A 5 -0.395 5.721 1.474 1.00 0.00 C ATOM 81 CD1 LEU A 5 -1.379 5.946 2.622 1.00 0.00 C ATOM 82 CD2 LEU A 5 -0.294 7.004 0.639 1.00 0.00 C ATOM 0 H LEU A 5 2.710 3.565 2.128 1.00 0.00 H new ATOM 0 HA LEU A 5 1.553 5.294 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.901 4.444 2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.309 6.146 2.732 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.741 4.907 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.358 6.203 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.460 5.035 3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.022 6.760 3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.274 7.252 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.054 7.822 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.410 6.851 -0.179 1.00 0.00 H new ATOM 94 N LYS A 6 3.615 6.697 -0.069 1.00 0.00 N ATOM 95 CA LYS A 6 4.721 7.708 -0.033 1.00 0.00 C ATOM 96 C LYS A 6 4.308 8.945 0.778 1.00 0.00 C ATOM 97 O LYS A 6 5.147 9.711 1.217 1.00 0.00 O ATOM 98 CB LYS A 6 4.964 8.088 -1.496 1.00 0.00 C ATOM 99 CG LYS A 6 5.412 6.851 -2.278 1.00 0.00 C ATOM 100 CD LYS A 6 6.939 6.763 -2.268 1.00 0.00 C ATOM 101 CE LYS A 6 7.368 5.311 -2.484 1.00 0.00 C ATOM 102 NZ LYS A 6 8.756 5.396 -3.018 1.00 0.00 N ATOM 0 H LYS A 6 3.296 6.440 -1.003 1.00 0.00 H new ATOM 0 HA LYS A 6 5.616 7.308 0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.053 8.497 -1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.725 8.866 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.983 5.953 -1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.047 6.905 -3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.355 7.397 -3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.329 7.131 -1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.337 4.747 -1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.705 4.804 -3.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.120 4.438 -3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.753 5.932 -3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.365 5.878 -2.326 1.00 0.00 H new ATOM 116 N ILE A 7 3.029 9.153 0.971 1.00 0.00 N ATOM 117 CA ILE A 7 2.567 10.348 1.744 1.00 0.00 C ATOM 118 C ILE A 7 2.891 10.198 3.238 1.00 0.00 C ATOM 119 O ILE A 7 2.922 11.175 3.963 1.00 0.00 O ATOM 120 CB ILE A 7 1.048 10.411 1.526 1.00 0.00 C ATOM 121 CG1 ILE A 7 0.748 10.537 0.029 1.00 0.00 C ATOM 122 CG2 ILE A 7 0.471 11.627 2.256 1.00 0.00 C ATOM 123 CD1 ILE A 7 -0.757 10.388 -0.203 1.00 0.00 C ATOM 0 H ILE A 7 2.284 8.547 0.627 1.00 0.00 H new ATOM 0 HA ILE A 7 3.066 11.258 1.410 1.00 0.00 H new ATOM 0 HB ILE A 7 0.594 9.500 1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.090 11.503 -0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.290 9.772 -0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.607 11.668 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.679 11.544 3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.929 12.536 1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.972 10.478 -1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.085 9.411 0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.288 11.169 0.341 1.00 0.00 H new ATOM 135 N THR A 8 3.123 8.994 3.710 1.00 0.00 N ATOM 136 CA THR A 8 3.434 8.817 5.167 1.00 0.00 C ATOM 137 C THR A 8 4.270 7.553 5.439 1.00 0.00 C ATOM 138 O THR A 8 5.100 7.549 6.329 1.00 0.00 O ATOM 139 CB THR A 8 2.072 8.734 5.870 1.00 0.00 C ATOM 140 OG1 THR A 8 2.275 8.497 7.256 1.00 0.00 O ATOM 141 CG2 THR A 8 1.229 7.598 5.280 1.00 0.00 C ATOM 0 H THR A 8 3.111 8.136 3.158 1.00 0.00 H new ATOM 0 HA THR A 8 4.038 9.646 5.536 1.00 0.00 H new ATOM 0 HB THR A 8 1.543 9.675 5.724 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.408 8.445 7.709 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.267 7.555 5.791 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.067 7.779 4.217 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.752 6.651 5.411 1.00 0.00 H new ATOM 149 N GLY A 9 4.067 6.485 4.699 1.00 0.00 N ATOM 150 CA GLY A 9 4.866 5.245 4.949 1.00 0.00 C ATOM 151 C GLY A 9 3.937 4.040 5.149 1.00 0.00 C ATOM 152 O GLY A 9 4.363 2.907 5.054 1.00 0.00 O ATOM 0 H GLY A 9 3.388 6.421 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.535 5.061 4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.492 5.380 5.831 1.00 0.00 H new ATOM 156 N TYR A 10 2.671 4.269 5.421 1.00 0.00 N ATOM 157 CA TYR A 10 1.704 3.130 5.621 1.00 0.00 C ATOM 158 C TYR A 10 1.805 2.143 4.440 1.00 0.00 C ATOM 159 O TYR A 10 2.129 2.532 3.335 1.00 0.00 O ATOM 160 CB TYR A 10 0.327 3.823 5.686 1.00 0.00 C ATOM 161 CG TYR A 10 -0.805 2.833 5.516 1.00 0.00 C ATOM 162 CD1 TYR A 10 -1.302 2.131 6.620 1.00 0.00 C ATOM 163 CD2 TYR A 10 -1.365 2.634 4.250 1.00 0.00 C ATOM 164 CE1 TYR A 10 -2.359 1.228 6.455 1.00 0.00 C ATOM 165 CE2 TYR A 10 -2.418 1.732 4.084 1.00 0.00 C ATOM 166 CZ TYR A 10 -2.917 1.028 5.186 1.00 0.00 C ATOM 167 OH TYR A 10 -3.960 0.141 5.022 1.00 0.00 O ATOM 0 H TYR A 10 2.262 5.199 5.514 1.00 0.00 H new ATOM 0 HA TYR A 10 1.898 2.539 6.516 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.222 4.335 6.642 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.265 4.584 4.908 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.871 2.286 7.598 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.982 3.179 3.400 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.744 0.686 7.306 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.847 1.578 3.105 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.343 0.249 4.127 1.00 0.00 H new ATOM 177 N ILE A 11 1.546 0.874 4.667 1.00 0.00 N ATOM 178 CA ILE A 11 1.652 -0.115 3.545 1.00 0.00 C ATOM 179 C ILE A 11 0.471 -1.088 3.532 1.00 0.00 C ATOM 180 O ILE A 11 -0.274 -1.211 4.485 1.00 0.00 O ATOM 181 CB ILE A 11 2.957 -0.890 3.793 1.00 0.00 C ATOM 182 CG1 ILE A 11 4.132 0.098 3.861 1.00 0.00 C ATOM 183 CG2 ILE A 11 3.184 -1.904 2.654 1.00 0.00 C ATOM 184 CD1 ILE A 11 5.445 -0.664 4.023 1.00 0.00 C ATOM 0 H ILE A 11 1.269 0.485 5.568 1.00 0.00 H new ATOM 0 HA ILE A 11 1.645 0.398 2.583 1.00 0.00 H new ATOM 0 HB ILE A 11 2.887 -1.430 4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.162 0.703 2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.994 0.783 4.697 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.110 -2.451 2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.349 -2.604 2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.254 -1.374 1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.273 0.044 4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.415 -1.249 4.942 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.586 -1.331 3.172 1.00 0.00 H new ATOM 196 N TYR A 12 0.341 -1.808 2.453 1.00 0.00 N ATOM 197 CA TYR A 12 -0.740 -2.828 2.324 1.00 0.00 C ATOM 198 C TYR A 12 -0.121 -4.089 1.721 1.00 0.00 C ATOM 199 O TYR A 12 0.197 -4.131 0.546 1.00 0.00 O ATOM 200 CB TYR A 12 -1.795 -2.209 1.382 1.00 0.00 C ATOM 201 CG TYR A 12 -2.788 -3.263 0.892 1.00 0.00 C ATOM 202 CD1 TYR A 12 -3.882 -3.617 1.693 1.00 0.00 C ATOM 203 CD2 TYR A 12 -2.617 -3.879 -0.366 1.00 0.00 C ATOM 204 CE1 TYR A 12 -4.800 -4.580 1.246 1.00 0.00 C ATOM 205 CE2 TYR A 12 -3.542 -4.840 -0.808 1.00 0.00 C ATOM 206 CZ TYR A 12 -4.629 -5.188 0.000 1.00 0.00 C ATOM 207 OH TYR A 12 -5.537 -6.130 -0.431 1.00 0.00 O ATOM 0 H TYR A 12 0.950 -1.732 1.638 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.202 -3.097 3.274 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.331 -1.416 1.904 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.298 -1.749 0.528 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.019 -3.148 2.656 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.776 -3.612 -0.989 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.641 -4.852 1.867 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.413 -5.310 -1.772 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.072 -6.819 -0.950 1.00 0.00 H new ATOM 217 N ASP A 13 0.055 -5.111 2.515 1.00 0.00 N ATOM 218 CA ASP A 13 0.654 -6.365 1.985 1.00 0.00 C ATOM 219 C ASP A 13 -0.425 -7.139 1.239 1.00 0.00 C ATOM 220 O ASP A 13 -1.103 -7.975 1.796 1.00 0.00 O ATOM 221 CB ASP A 13 1.134 -7.135 3.215 1.00 0.00 C ATOM 222 CG ASP A 13 2.240 -8.112 2.807 1.00 0.00 C ATOM 223 OD1 ASP A 13 2.159 -8.643 1.711 1.00 0.00 O ATOM 224 OD2 ASP A 13 3.147 -8.313 3.597 1.00 0.00 O ATOM 0 H ASP A 13 -0.190 -5.130 3.505 1.00 0.00 H new ATOM 0 HA ASP A 13 1.477 -6.191 1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.507 -6.441 3.969 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.303 -7.678 3.665 1.00 0.00 H new ATOM 229 N GLU A 14 -0.597 -6.837 -0.024 1.00 0.00 N ATOM 230 CA GLU A 14 -1.650 -7.518 -0.847 1.00 0.00 C ATOM 231 C GLU A 14 -1.615 -9.043 -0.665 1.00 0.00 C ATOM 232 O GLU A 14 -2.622 -9.710 -0.820 1.00 0.00 O ATOM 233 CB GLU A 14 -1.330 -7.125 -2.293 1.00 0.00 C ATOM 234 CG GLU A 14 -2.426 -7.632 -3.217 1.00 0.00 C ATOM 235 CD GLU A 14 -1.806 -8.111 -4.533 1.00 0.00 C ATOM 236 OE1 GLU A 14 -1.417 -9.265 -4.596 1.00 0.00 O ATOM 237 OE2 GLU A 14 -1.732 -7.315 -5.454 1.00 0.00 O ATOM 0 H GLU A 14 -0.048 -6.140 -0.527 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.654 -7.215 -0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.244 -6.041 -2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.368 -7.544 -2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.969 -8.448 -2.740 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.148 -6.839 -3.411 1.00 0.00 H new ATOM 244 N ASP A 15 -0.480 -9.593 -0.313 1.00 0.00 N ATOM 245 CA ASP A 15 -0.405 -11.070 -0.094 1.00 0.00 C ATOM 246 C ASP A 15 -1.262 -11.443 1.120 1.00 0.00 C ATOM 247 O ASP A 15 -1.806 -12.528 1.203 1.00 0.00 O ATOM 248 CB ASP A 15 1.071 -11.370 0.174 1.00 0.00 C ATOM 249 CG ASP A 15 1.808 -11.535 -1.157 1.00 0.00 C ATOM 250 OD1 ASP A 15 1.361 -12.334 -1.963 1.00 0.00 O ATOM 251 OD2 ASP A 15 2.806 -10.861 -1.346 1.00 0.00 O ATOM 0 H ASP A 15 0.393 -9.087 -0.168 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.774 -11.640 -0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.518 -10.561 0.752 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.166 -12.278 0.770 1.00 0.00 H new ATOM 256 N ALA A 16 -1.387 -10.537 2.059 1.00 0.00 N ATOM 257 CA ALA A 16 -2.209 -10.807 3.277 1.00 0.00 C ATOM 258 C ALA A 16 -3.457 -9.916 3.283 1.00 0.00 C ATOM 259 O ALA A 16 -4.458 -10.244 3.890 1.00 0.00 O ATOM 260 CB ALA A 16 -1.302 -10.450 4.457 1.00 0.00 C ATOM 0 H ALA A 16 -0.951 -9.615 2.032 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.551 -11.841 3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.836 -10.622 5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.408 -11.073 4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.015 -9.400 4.391 1.00 0.00 H new ATOM 266 N GLY A 17 -3.396 -8.787 2.620 1.00 0.00 N ATOM 267 CA GLY A 17 -4.566 -7.864 2.591 1.00 0.00 C ATOM 268 C GLY A 17 -4.322 -6.713 3.566 1.00 0.00 C ATOM 269 O GLY A 17 -3.532 -5.825 3.306 1.00 0.00 O ATOM 0 H GLY A 17 -2.581 -8.467 2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.714 -7.477 1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.475 -8.401 2.863 1.00 0.00 H new ATOM 273 N ASP A 18 -4.988 -6.726 4.691 1.00 0.00 N ATOM 274 CA ASP A 18 -4.802 -5.635 5.693 1.00 0.00 C ATOM 275 C ASP A 18 -5.510 -6.004 7.006 1.00 0.00 C ATOM 276 O ASP A 18 -6.653 -5.643 7.210 1.00 0.00 O ATOM 277 CB ASP A 18 -5.441 -4.391 5.061 1.00 0.00 C ATOM 278 CG ASP A 18 -4.491 -3.198 5.192 1.00 0.00 C ATOM 279 OD1 ASP A 18 -3.292 -3.407 5.108 1.00 0.00 O ATOM 280 OD2 ASP A 18 -4.979 -2.095 5.373 1.00 0.00 O ATOM 0 H ASP A 18 -5.656 -7.449 4.960 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.752 -5.467 5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.662 -4.578 4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.389 -4.169 5.551 1.00 0.00 H new ATOM 285 N PRO A 19 -4.812 -6.716 7.862 1.00 0.00 N ATOM 286 CA PRO A 19 -5.404 -7.121 9.161 1.00 0.00 C ATOM 287 C PRO A 19 -5.633 -5.889 10.039 1.00 0.00 C ATOM 288 O PRO A 19 -6.536 -5.859 10.854 1.00 0.00 O ATOM 289 CB PRO A 19 -4.355 -8.054 9.762 1.00 0.00 C ATOM 290 CG PRO A 19 -3.073 -7.658 9.107 1.00 0.00 C ATOM 291 CD PRO A 19 -3.430 -7.200 7.719 1.00 0.00 C ATOM 0 HA PRO A 19 -6.376 -7.606 9.066 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.298 -7.940 10.845 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.594 -9.099 9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.582 -6.861 9.665 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.379 -8.498 9.073 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.762 -6.411 7.372 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.363 -8.014 6.998 1.00 0.00 H new ATOM 299 N ASP A 20 -4.833 -4.867 9.863 1.00 0.00 N ATOM 300 CA ASP A 20 -5.016 -3.624 10.671 1.00 0.00 C ATOM 301 C ASP A 20 -6.324 -2.945 10.260 1.00 0.00 C ATOM 302 O ASP A 20 -6.994 -2.325 11.065 1.00 0.00 O ATOM 303 CB ASP A 20 -3.816 -2.737 10.329 1.00 0.00 C ATOM 304 CG ASP A 20 -3.881 -1.450 11.152 1.00 0.00 C ATOM 305 OD1 ASP A 20 -4.833 -0.706 10.979 1.00 0.00 O ATOM 306 OD2 ASP A 20 -2.977 -1.230 11.943 1.00 0.00 O ATOM 0 H ASP A 20 -4.062 -4.840 9.195 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.069 -3.822 11.742 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.887 -3.268 10.537 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.816 -2.501 9.265 1.00 0.00 H new ATOM 311 N ASN A 21 -6.694 -3.073 9.010 1.00 0.00 N ATOM 312 CA ASN A 21 -7.964 -2.456 8.527 1.00 0.00 C ATOM 313 C ASN A 21 -9.053 -3.527 8.360 1.00 0.00 C ATOM 314 O ASN A 21 -10.122 -3.245 7.852 1.00 0.00 O ATOM 315 CB ASN A 21 -7.612 -1.833 7.164 1.00 0.00 C ATOM 316 CG ASN A 21 -7.403 -0.326 7.327 1.00 0.00 C ATOM 317 OD1 ASN A 21 -8.322 0.449 7.156 1.00 0.00 O ATOM 318 ND2 ASN A 21 -6.222 0.124 7.653 1.00 0.00 N ATOM 0 H ASN A 21 -6.166 -3.582 8.301 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.352 -1.718 9.228 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.709 -2.294 6.764 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.411 -2.024 6.448 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.071 1.127 7.764 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.450 -0.527 7.797 1.00 0.00 H new ATOM 325 N GLY A 22 -8.796 -4.762 8.766 1.00 0.00 N ATOM 326 CA GLY A 22 -9.825 -5.848 8.604 1.00 0.00 C ATOM 327 C GLY A 22 -10.270 -5.876 7.142 1.00 0.00 C ATOM 328 O GLY A 22 -11.385 -5.514 6.816 1.00 0.00 O ATOM 0 H GLY A 22 -7.922 -5.058 9.200 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.407 -6.813 8.892 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.678 -5.663 9.257 1.00 0.00 H new ATOM 332 N ILE A 23 -9.379 -6.242 6.259 1.00 0.00 N ATOM 333 CA ILE A 23 -9.716 -6.220 4.807 1.00 0.00 C ATOM 334 C ILE A 23 -9.625 -7.599 4.161 1.00 0.00 C ATOM 335 O ILE A 23 -9.081 -8.537 4.711 1.00 0.00 O ATOM 336 CB ILE A 23 -8.666 -5.273 4.205 1.00 0.00 C ATOM 337 CG1 ILE A 23 -8.783 -3.886 4.861 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.868 -5.141 2.689 1.00 0.00 C ATOM 339 CD1 ILE A 23 -10.212 -3.341 4.711 1.00 0.00 C ATOM 0 H ILE A 23 -8.434 -6.555 6.481 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.744 -5.899 4.639 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.675 -5.686 4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.522 -3.953 5.917 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.074 -3.198 4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.116 -4.467 2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.770 -6.121 2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.862 -4.741 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.278 -2.359 5.180 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.459 -3.255 3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.914 -4.022 5.193 1.00 0.00 H new ATOM 351 N SER A 24 -10.154 -7.698 2.970 1.00 0.00 N ATOM 352 CA SER A 24 -10.125 -8.979 2.200 1.00 0.00 C ATOM 353 C SER A 24 -8.702 -9.589 2.206 1.00 0.00 C ATOM 354 O SER A 24 -7.767 -8.948 1.771 1.00 0.00 O ATOM 355 CB SER A 24 -10.526 -8.555 0.784 1.00 0.00 C ATOM 356 OG SER A 24 -10.881 -9.706 0.029 1.00 0.00 O ATOM 0 H SER A 24 -10.616 -6.927 2.487 1.00 0.00 H new ATOM 0 HA SER A 24 -10.782 -9.741 2.618 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.365 -7.860 0.824 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.701 -8.031 0.302 1.00 0.00 H new ATOM 0 HG SER A 24 -10.073 -10.110 -0.350 1.00 0.00 H new ATOM 362 N PRO A 25 -8.573 -10.801 2.715 1.00 0.00 N ATOM 363 CA PRO A 25 -7.235 -11.451 2.776 1.00 0.00 C ATOM 364 C PRO A 25 -6.756 -11.866 1.381 1.00 0.00 C ATOM 365 O PRO A 25 -7.481 -12.484 0.624 1.00 0.00 O ATOM 366 CB PRO A 25 -7.468 -12.676 3.655 1.00 0.00 C ATOM 367 CG PRO A 25 -8.925 -12.980 3.519 1.00 0.00 C ATOM 368 CD PRO A 25 -9.625 -11.671 3.266 1.00 0.00 C ATOM 0 HA PRO A 25 -6.465 -10.787 3.167 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.857 -13.518 3.328 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.203 -12.473 4.693 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.099 -13.676 2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.307 -13.453 4.424 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.451 -11.790 2.565 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.043 -11.258 4.184 1.00 0.00 H new ATOM 376 N GLY A 26 -5.535 -11.524 1.037 1.00 0.00 N ATOM 377 CA GLY A 26 -4.996 -11.889 -0.306 1.00 0.00 C ATOM 378 C GLY A 26 -5.833 -11.200 -1.377 1.00 0.00 C ATOM 379 O GLY A 26 -6.449 -11.839 -2.209 1.00 0.00 O ATOM 0 H GLY A 26 -4.890 -11.006 1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.953 -11.585 -0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.024 -12.970 -0.443 1.00 0.00 H new ATOM 383 N THR A 27 -5.875 -9.896 -1.341 1.00 0.00 N ATOM 384 CA THR A 27 -6.688 -9.140 -2.327 1.00 0.00 C ATOM 385 C THR A 27 -5.810 -8.139 -3.083 1.00 0.00 C ATOM 386 O THR A 27 -5.050 -7.399 -2.492 1.00 0.00 O ATOM 387 CB THR A 27 -7.740 -8.445 -1.448 1.00 0.00 C ATOM 388 OG1 THR A 27 -8.768 -9.375 -1.166 1.00 0.00 O ATOM 389 CG2 THR A 27 -8.342 -7.216 -2.141 1.00 0.00 C ATOM 0 H THR A 27 -5.375 -9.320 -0.664 1.00 0.00 H new ATOM 0 HA THR A 27 -7.142 -9.761 -3.099 1.00 0.00 H new ATOM 0 HB THR A 27 -7.257 -8.103 -0.533 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.420 -9.374 -1.898 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.081 -6.754 -1.486 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.552 -6.498 -2.360 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.822 -7.521 -3.071 1.00 0.00 H new ATOM 397 N LYS A 28 -5.931 -8.106 -4.383 1.00 0.00 N ATOM 398 CA LYS A 28 -5.127 -7.148 -5.186 1.00 0.00 C ATOM 399 C LYS A 28 -5.487 -5.714 -4.796 1.00 0.00 C ATOM 400 O LYS A 28 -6.644 -5.345 -4.803 1.00 0.00 O ATOM 401 CB LYS A 28 -5.514 -7.414 -6.643 1.00 0.00 C ATOM 402 CG LYS A 28 -4.511 -8.387 -7.275 1.00 0.00 C ATOM 403 CD LYS A 28 -5.259 -9.407 -8.137 1.00 0.00 C ATOM 404 CE LYS A 28 -4.268 -10.430 -8.696 1.00 0.00 C ATOM 405 NZ LYS A 28 -5.063 -11.677 -8.874 1.00 0.00 N ATOM 0 H LYS A 28 -6.556 -8.705 -4.923 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.056 -7.272 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.520 -7.831 -6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.529 -6.478 -7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.792 -7.839 -7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.945 -8.899 -6.496 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.021 -9.911 -7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.774 -8.901 -8.953 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.844 -10.093 -9.642 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.434 -10.587 -8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.452 -12.427 -9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.448 -11.977 -7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.845 -11.499 -9.536 1.00 0.00 H new ATOM 419 N PHE A 29 -4.510 -4.902 -4.454 1.00 0.00 N ATOM 420 CA PHE A 29 -4.803 -3.476 -4.065 1.00 0.00 C ATOM 421 C PHE A 29 -5.723 -2.809 -5.102 1.00 0.00 C ATOM 422 O PHE A 29 -6.453 -1.888 -4.791 1.00 0.00 O ATOM 423 CB PHE A 29 -3.423 -2.794 -4.047 1.00 0.00 C ATOM 424 CG PHE A 29 -3.540 -1.319 -3.706 1.00 0.00 C ATOM 425 CD1 PHE A 29 -4.091 -0.413 -4.629 1.00 0.00 C ATOM 426 CD2 PHE A 29 -3.081 -0.855 -2.469 1.00 0.00 C ATOM 427 CE1 PHE A 29 -4.183 0.945 -4.308 1.00 0.00 C ATOM 428 CE2 PHE A 29 -3.173 0.507 -2.153 1.00 0.00 C ATOM 429 CZ PHE A 29 -3.725 1.404 -3.072 1.00 0.00 C ATOM 0 H PHE A 29 -3.524 -5.162 -4.427 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.316 -3.403 -3.106 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.781 -3.288 -3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.946 -2.907 -5.021 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.444 -0.766 -5.587 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.655 -1.547 -1.757 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.609 1.639 -5.017 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.817 0.864 -1.198 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.797 2.453 -2.825 1.00 0.00 H new ATOM 439 N GLU A 30 -5.680 -3.263 -6.328 1.00 0.00 N ATOM 440 CA GLU A 30 -6.543 -2.652 -7.385 1.00 0.00 C ATOM 441 C GLU A 30 -7.892 -3.383 -7.489 1.00 0.00 C ATOM 442 O GLU A 30 -8.665 -3.126 -8.392 1.00 0.00 O ATOM 443 CB GLU A 30 -5.746 -2.796 -8.688 1.00 0.00 C ATOM 444 CG GLU A 30 -5.479 -4.279 -8.988 1.00 0.00 C ATOM 445 CD GLU A 30 -4.007 -4.608 -8.723 1.00 0.00 C ATOM 446 OE1 GLU A 30 -3.502 -4.186 -7.695 1.00 0.00 O ATOM 447 OE2 GLU A 30 -3.410 -5.275 -9.552 1.00 0.00 O ATOM 0 H GLU A 30 -5.086 -4.030 -6.643 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.777 -1.611 -7.161 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.299 -2.345 -9.512 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.801 -2.259 -8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.118 -4.906 -8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.729 -4.500 -10.026 1.00 0.00 H new ATOM 454 N GLU A 31 -8.178 -4.292 -6.584 1.00 0.00 N ATOM 455 CA GLU A 31 -9.468 -5.033 -6.652 1.00 0.00 C ATOM 456 C GLU A 31 -10.044 -5.284 -5.252 1.00 0.00 C ATOM 457 O GLU A 31 -10.902 -6.133 -5.082 1.00 0.00 O ATOM 458 CB GLU A 31 -9.106 -6.354 -7.319 1.00 0.00 C ATOM 459 CG GLU A 31 -9.024 -6.156 -8.834 1.00 0.00 C ATOM 460 CD GLU A 31 -9.130 -7.514 -9.532 1.00 0.00 C ATOM 461 OE1 GLU A 31 -10.168 -8.141 -9.410 1.00 0.00 O ATOM 462 OE2 GLU A 31 -8.170 -7.902 -10.177 1.00 0.00 O ATOM 0 H GLU A 31 -7.571 -4.548 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.230 -4.475 -7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.152 -6.717 -6.937 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.853 -7.111 -7.080 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.826 -5.499 -9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.084 -5.672 -9.098 1.00 0.00 H new ATOM 469 N LEU A 32 -9.596 -4.562 -4.250 1.00 0.00 N ATOM 470 CA LEU A 32 -10.145 -4.779 -2.878 1.00 0.00 C ATOM 471 C LEU A 32 -11.496 -4.037 -2.757 1.00 0.00 C ATOM 472 O LEU A 32 -12.078 -3.711 -3.774 1.00 0.00 O ATOM 473 CB LEU A 32 -9.019 -4.310 -1.921 1.00 0.00 C ATOM 474 CG LEU A 32 -9.054 -2.815 -1.612 1.00 0.00 C ATOM 475 CD1 LEU A 32 -8.377 -2.595 -0.251 1.00 0.00 C ATOM 476 CD2 LEU A 32 -8.290 -2.052 -2.696 1.00 0.00 C ATOM 0 H LEU A 32 -8.880 -3.839 -4.325 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.390 -5.812 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.094 -4.866 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.054 -4.558 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.082 -2.455 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.389 -1.533 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.915 -3.150 0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.346 -2.945 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.315 -0.985 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.255 -2.394 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.755 -2.233 -3.665 1.00 0.00 H new ATOM 488 N PRO A 33 -11.994 -3.817 -1.554 1.00 0.00 N ATOM 489 CA PRO A 33 -13.302 -3.158 -1.410 1.00 0.00 C ATOM 490 C PRO A 33 -13.133 -1.646 -1.332 1.00 0.00 C ATOM 491 O PRO A 33 -12.191 -1.144 -0.750 1.00 0.00 O ATOM 492 CB PRO A 33 -13.839 -3.736 -0.105 1.00 0.00 C ATOM 493 CG PRO A 33 -12.633 -4.177 0.677 1.00 0.00 C ATOM 494 CD PRO A 33 -11.429 -4.123 -0.237 1.00 0.00 C ATOM 0 HA PRO A 33 -13.975 -3.330 -2.250 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.411 -2.990 0.447 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.509 -4.574 -0.296 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.483 -3.530 1.541 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.776 -5.188 1.057 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.721 -3.357 0.081 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.891 -5.071 -0.244 1.00 0.00 H new ATOM 502 N ASP A 34 -14.047 -0.915 -1.921 1.00 0.00 N ATOM 503 CA ASP A 34 -13.956 0.578 -1.896 1.00 0.00 C ATOM 504 C ASP A 34 -13.801 1.080 -0.458 1.00 0.00 C ATOM 505 O ASP A 34 -13.907 0.321 0.486 1.00 0.00 O ATOM 506 CB ASP A 34 -15.276 1.070 -2.494 1.00 0.00 C ATOM 507 CG ASP A 34 -15.364 0.641 -3.959 1.00 0.00 C ATOM 508 OD1 ASP A 34 -14.561 1.115 -4.745 1.00 0.00 O ATOM 509 OD2 ASP A 34 -16.233 -0.157 -4.271 1.00 0.00 O ATOM 0 H ASP A 34 -14.854 -1.289 -2.419 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.094 0.944 -2.454 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.116 0.661 -1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.340 2.155 -2.417 1.00 0.00 H new ATOM 514 N ASP A 35 -13.541 2.356 -0.294 1.00 0.00 N ATOM 515 CA ASP A 35 -13.362 2.969 1.071 1.00 0.00 C ATOM 516 C ASP A 35 -12.025 2.567 1.720 1.00 0.00 C ATOM 517 O ASP A 35 -11.680 3.090 2.765 1.00 0.00 O ATOM 518 CB ASP A 35 -14.545 2.504 1.939 1.00 0.00 C ATOM 519 CG ASP A 35 -14.777 3.509 3.068 1.00 0.00 C ATOM 520 OD1 ASP A 35 -14.165 3.350 4.111 1.00 0.00 O ATOM 521 OD2 ASP A 35 -15.565 4.420 2.871 1.00 0.00 O ATOM 0 H ASP A 35 -13.442 3.017 -1.065 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.341 4.055 0.982 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.444 2.413 1.329 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.340 1.517 2.353 1.00 0.00 H new ATOM 526 N TRP A 36 -11.254 1.670 1.129 1.00 0.00 N ATOM 527 CA TRP A 36 -9.950 1.303 1.760 1.00 0.00 C ATOM 528 C TRP A 36 -8.920 2.409 1.495 1.00 0.00 C ATOM 529 O TRP A 36 -8.526 2.640 0.369 1.00 0.00 O ATOM 530 CB TRP A 36 -9.493 -0.016 1.115 1.00 0.00 C ATOM 531 CG TRP A 36 -8.235 -0.451 1.797 1.00 0.00 C ATOM 532 CD1 TRP A 36 -8.177 -1.271 2.868 1.00 0.00 C ATOM 533 CD2 TRP A 36 -6.860 -0.082 1.491 1.00 0.00 C ATOM 534 NE1 TRP A 36 -6.855 -1.441 3.232 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.006 -0.728 2.415 1.00 0.00 C ATOM 536 CE3 TRP A 36 -6.276 0.738 0.510 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -4.624 -0.566 2.370 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -4.885 0.904 0.460 1.00 0.00 C ATOM 539 CH2 TRP A 36 -4.061 0.254 1.388 1.00 0.00 C ATOM 0 H TRP A 36 -11.472 1.190 0.256 1.00 0.00 H new ATOM 0 HA TRP A 36 -10.052 1.187 2.839 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -10.265 -0.778 1.217 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -9.320 0.121 0.048 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.026 -1.721 3.360 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.546 -2.023 4.010 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -6.903 1.243 -0.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.993 -1.069 3.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.446 1.536 -0.298 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.990 0.387 1.345 1.00 0.00 H new ATOM 550 N VAL A 37 -8.479 3.079 2.528 1.00 0.00 N ATOM 551 CA VAL A 37 -7.462 4.167 2.355 1.00 0.00 C ATOM 552 C VAL A 37 -6.650 4.330 3.661 1.00 0.00 C ATOM 553 O VAL A 37 -5.902 3.440 4.027 1.00 0.00 O ATOM 554 CB VAL A 37 -8.246 5.446 1.978 1.00 0.00 C ATOM 555 CG1 VAL A 37 -8.684 5.367 0.516 1.00 0.00 C ATOM 556 CG2 VAL A 37 -9.484 5.615 2.874 1.00 0.00 C ATOM 0 H VAL A 37 -8.779 2.921 3.490 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.739 3.941 1.571 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.592 6.306 2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.236 6.269 0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.805 5.280 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.323 4.496 0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.018 6.521 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.141 4.753 2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.172 5.690 3.916 1.00 0.00 H new ATOM 566 N ALA A 38 -6.775 5.436 4.372 1.00 0.00 N ATOM 567 CA ALA A 38 -5.997 5.605 5.637 1.00 0.00 C ATOM 568 C ALA A 38 -6.577 6.763 6.464 1.00 0.00 C ATOM 569 O ALA A 38 -7.065 7.726 5.906 1.00 0.00 O ATOM 570 CB ALA A 38 -4.572 5.926 5.184 1.00 0.00 C ATOM 0 H ALA A 38 -7.380 6.220 4.127 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.032 4.717 6.268 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.935 6.065 6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.187 5.103 4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.576 6.839 4.589 1.00 0.00 H new ATOM 576 N PRO A 39 -6.512 6.641 7.775 1.00 0.00 N ATOM 577 CA PRO A 39 -7.051 7.709 8.655 1.00 0.00 C ATOM 578 C PRO A 39 -6.136 8.936 8.630 1.00 0.00 C ATOM 579 O PRO A 39 -6.586 10.057 8.785 1.00 0.00 O ATOM 580 CB PRO A 39 -7.060 7.067 10.038 1.00 0.00 C ATOM 581 CG PRO A 39 -6.014 6.001 9.980 1.00 0.00 C ATOM 582 CD PRO A 39 -5.945 5.526 8.553 1.00 0.00 C ATOM 0 HA PRO A 39 -8.036 8.059 8.347 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.834 7.799 10.814 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.038 6.647 10.271 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.049 6.390 10.303 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.266 5.178 10.648 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.919 5.312 8.253 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.517 4.609 8.410 1.00 0.00 H new ATOM 590 N ILE A 40 -4.857 8.730 8.434 1.00 0.00 N ATOM 591 CA ILE A 40 -3.908 9.885 8.396 1.00 0.00 C ATOM 592 C ILE A 40 -4.162 10.727 7.141 1.00 0.00 C ATOM 593 O ILE A 40 -4.436 11.909 7.224 1.00 0.00 O ATOM 594 CB ILE A 40 -2.506 9.263 8.360 1.00 0.00 C ATOM 595 CG1 ILE A 40 -2.295 8.403 9.610 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.451 10.372 8.329 1.00 0.00 C ATOM 597 CD1 ILE A 40 -0.976 7.637 9.485 1.00 0.00 C ATOM 0 H ILE A 40 -4.430 7.814 8.299 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.027 10.546 9.255 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.411 8.644 7.468 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.279 9.033 10.499 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.124 7.705 9.728 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.456 9.927 8.303 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.596 10.988 7.441 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.548 10.992 9.220 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.825 7.025 10.374 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.010 6.996 8.604 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.152 8.344 9.387 1.00 0.00 H new ATOM 609 N THR A 41 -4.073 10.123 5.984 1.00 0.00 N ATOM 610 CA THR A 41 -4.309 10.884 4.717 1.00 0.00 C ATOM 611 C THR A 41 -4.604 9.920 3.561 1.00 0.00 C ATOM 612 O THR A 41 -3.733 9.584 2.781 1.00 0.00 O ATOM 613 CB THR A 41 -3.010 11.661 4.464 1.00 0.00 C ATOM 614 OG1 THR A 41 -3.128 12.385 3.248 1.00 0.00 O ATOM 615 CG2 THR A 41 -1.822 10.697 4.371 1.00 0.00 C ATOM 0 H THR A 41 -3.847 9.136 5.860 1.00 0.00 H new ATOM 0 HA THR A 41 -5.168 11.551 4.793 1.00 0.00 H new ATOM 0 HB THR A 41 -2.840 12.349 5.292 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.301 12.884 3.083 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.908 11.263 4.191 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.729 10.143 5.305 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.984 9.998 3.550 1.00 0.00 H new ATOM 623 N GLY A 42 -5.831 9.476 3.448 1.00 0.00 N ATOM 624 CA GLY A 42 -6.194 8.536 2.346 1.00 0.00 C ATOM 625 C GLY A 42 -7.613 8.840 1.858 1.00 0.00 C ATOM 626 O GLY A 42 -8.435 9.347 2.596 1.00 0.00 O ATOM 0 H GLY A 42 -6.598 9.725 4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.487 8.634 1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.132 7.506 2.698 1.00 0.00 H new ATOM 630 N ALA A 43 -7.905 8.526 0.618 1.00 0.00 N ATOM 631 CA ALA A 43 -9.276 8.785 0.065 1.00 0.00 C ATOM 632 C ALA A 43 -9.391 8.254 -1.379 1.00 0.00 C ATOM 633 O ALA A 43 -10.320 7.531 -1.681 1.00 0.00 O ATOM 634 CB ALA A 43 -9.469 10.308 0.099 1.00 0.00 C ATOM 0 H ALA A 43 -7.251 8.100 -0.039 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.041 8.275 0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.454 10.559 -0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.387 10.662 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.703 10.786 -0.512 1.00 0.00 H new ATOM 640 N PRO A 44 -8.457 8.625 -2.237 1.00 0.00 N ATOM 641 CA PRO A 44 -8.506 8.163 -3.640 1.00 0.00 C ATOM 642 C PRO A 44 -7.750 6.839 -3.798 1.00 0.00 C ATOM 643 O PRO A 44 -6.865 6.526 -3.026 1.00 0.00 O ATOM 644 CB PRO A 44 -7.795 9.279 -4.396 1.00 0.00 C ATOM 645 CG PRO A 44 -6.881 9.934 -3.398 1.00 0.00 C ATOM 646 CD PRO A 44 -7.290 9.489 -2.011 1.00 0.00 C ATOM 0 HA PRO A 44 -9.519 7.978 -3.997 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.231 8.882 -5.240 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -8.511 9.995 -4.799 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.845 9.658 -3.595 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.943 11.019 -3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.485 8.948 -1.513 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.542 10.340 -1.378 1.00 0.00 H new ATOM 654 N LYS A 45 -8.094 6.068 -4.798 1.00 0.00 N ATOM 655 CA LYS A 45 -7.398 4.764 -5.020 1.00 0.00 C ATOM 656 C LYS A 45 -5.992 4.999 -5.578 1.00 0.00 C ATOM 657 O LYS A 45 -5.029 4.410 -5.122 1.00 0.00 O ATOM 658 CB LYS A 45 -8.259 4.021 -6.044 1.00 0.00 C ATOM 659 CG LYS A 45 -9.147 3.008 -5.322 1.00 0.00 C ATOM 660 CD LYS A 45 -8.273 1.920 -4.679 1.00 0.00 C ATOM 661 CE LYS A 45 -8.777 0.533 -5.090 1.00 0.00 C ATOM 662 NZ LYS A 45 -8.354 0.376 -6.509 1.00 0.00 N ATOM 0 H LYS A 45 -8.828 6.286 -5.472 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.283 4.199 -4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.874 4.729 -6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.624 3.512 -6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.741 3.510 -4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.847 2.557 -6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.235 2.045 -4.988 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.296 2.018 -3.594 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.346 -0.246 -4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.860 0.461 -4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.634 -0.565 -6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.811 1.107 -7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.321 0.476 -6.576 1.00 0.00 H new ATOM 676 N SER A 46 -5.870 5.850 -6.563 1.00 0.00 N ATOM 677 CA SER A 46 -4.528 6.128 -7.164 1.00 0.00 C ATOM 678 C SER A 46 -3.708 7.051 -6.253 1.00 0.00 C ATOM 679 O SER A 46 -3.306 8.130 -6.648 1.00 0.00 O ATOM 680 CB SER A 46 -4.822 6.813 -8.499 1.00 0.00 C ATOM 681 OG SER A 46 -5.848 6.100 -9.178 1.00 0.00 O ATOM 0 H SER A 46 -6.644 6.367 -6.980 1.00 0.00 H new ATOM 0 HA SER A 46 -3.943 5.217 -7.293 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.131 7.845 -8.331 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.920 6.845 -9.110 1.00 0.00 H new ATOM 0 HG SER A 46 -6.040 6.538 -10.033 1.00 0.00 H new ATOM 687 N GLU A 47 -3.456 6.633 -5.039 1.00 0.00 N ATOM 688 CA GLU A 47 -2.660 7.479 -4.097 1.00 0.00 C ATOM 689 C GLU A 47 -1.449 6.704 -3.559 1.00 0.00 C ATOM 690 O GLU A 47 -0.426 7.282 -3.243 1.00 0.00 O ATOM 691 CB GLU A 47 -3.621 7.825 -2.961 1.00 0.00 C ATOM 692 CG GLU A 47 -3.065 9.008 -2.167 1.00 0.00 C ATOM 693 CD GLU A 47 -3.625 8.978 -0.744 1.00 0.00 C ATOM 694 OE1 GLU A 47 -3.638 7.909 -0.156 1.00 0.00 O ATOM 695 OE2 GLU A 47 -4.031 10.024 -0.266 1.00 0.00 O ATOM 0 H GLU A 47 -3.768 5.740 -4.658 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.267 8.370 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.603 8.073 -3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.753 6.963 -2.306 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.976 8.962 -2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.333 9.945 -2.655 1.00 0.00 H new ATOM 702 N PHE A 48 -1.560 5.401 -3.449 1.00 0.00 N ATOM 703 CA PHE A 48 -0.421 4.584 -2.928 1.00 0.00 C ATOM 704 C PHE A 48 0.614 4.350 -4.034 1.00 0.00 C ATOM 705 O PHE A 48 0.567 4.968 -5.081 1.00 0.00 O ATOM 706 CB PHE A 48 -1.049 3.251 -2.512 1.00 0.00 C ATOM 707 CG PHE A 48 -1.640 3.355 -1.138 1.00 0.00 C ATOM 708 CD1 PHE A 48 -2.605 4.322 -0.837 1.00 0.00 C ATOM 709 CD2 PHE A 48 -1.215 2.463 -0.162 1.00 0.00 C ATOM 710 CE1 PHE A 48 -3.138 4.392 0.456 1.00 0.00 C ATOM 711 CE2 PHE A 48 -1.738 2.529 1.120 1.00 0.00 C ATOM 712 CZ PHE A 48 -2.702 3.495 1.438 1.00 0.00 C ATOM 0 H PHE A 48 -2.393 4.868 -3.699 1.00 0.00 H new ATOM 0 HA PHE A 48 0.092 5.077 -2.103 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.822 2.968 -3.226 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.294 2.465 -2.531 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.938 5.012 -1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.474 1.715 -0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.883 5.136 0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.402 1.834 1.875 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.107 3.547 2.438 1.00 0.00 H new ATOM 722 N GLU A 49 1.538 3.453 -3.806 1.00 0.00 N ATOM 723 CA GLU A 49 2.573 3.149 -4.826 1.00 0.00 C ATOM 724 C GLU A 49 3.176 1.768 -4.548 1.00 0.00 C ATOM 725 O GLU A 49 3.675 1.507 -3.470 1.00 0.00 O ATOM 726 CB GLU A 49 3.629 4.252 -4.678 1.00 0.00 C ATOM 727 CG GLU A 49 3.910 4.884 -6.045 1.00 0.00 C ATOM 728 CD GLU A 49 5.380 5.300 -6.124 1.00 0.00 C ATOM 729 OE1 GLU A 49 5.812 6.045 -5.259 1.00 0.00 O ATOM 730 OE2 GLU A 49 6.049 4.869 -7.048 1.00 0.00 O ATOM 0 H GLU A 49 1.616 2.914 -2.944 1.00 0.00 H new ATOM 0 HA GLU A 49 2.169 3.125 -5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.279 5.013 -3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.547 3.836 -4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.679 4.175 -6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.267 5.751 -6.195 1.00 0.00 H new ATOM 737 N LYS A 50 3.118 0.880 -5.511 1.00 0.00 N ATOM 738 CA LYS A 50 3.675 -0.497 -5.307 1.00 0.00 C ATOM 739 C LYS A 50 5.143 -0.434 -4.874 1.00 0.00 C ATOM 740 O LYS A 50 5.776 0.603 -4.946 1.00 0.00 O ATOM 741 CB LYS A 50 3.548 -1.189 -6.669 1.00 0.00 C ATOM 742 CG LYS A 50 2.070 -1.262 -7.084 1.00 0.00 C ATOM 743 CD LYS A 50 1.707 -2.699 -7.472 1.00 0.00 C ATOM 744 CE LYS A 50 2.154 -2.970 -8.910 1.00 0.00 C ATOM 745 NZ LYS A 50 1.047 -3.764 -9.513 1.00 0.00 N ATOM 0 H LYS A 50 2.709 1.048 -6.430 1.00 0.00 H new ATOM 0 HA LYS A 50 3.142 -1.034 -4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.119 -0.642 -7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.970 -2.193 -6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.436 -0.927 -6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.886 -0.592 -7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.188 -3.403 -6.792 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.632 -2.851 -7.380 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.316 -2.040 -9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.094 -3.521 -8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.280 -3.989 -10.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.921 -4.646 -8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.167 -3.211 -9.482 1.00 0.00 H new ATOM 759 N LEU A 51 5.682 -1.538 -4.420 1.00 0.00 N ATOM 760 CA LEU A 51 7.107 -1.554 -3.971 1.00 0.00 C ATOM 761 C LEU A 51 8.047 -1.737 -5.168 1.00 0.00 C ATOM 762 O LEU A 51 9.195 -1.337 -5.128 1.00 0.00 O ATOM 763 CB LEU A 51 7.209 -2.751 -3.026 1.00 0.00 C ATOM 764 CG LEU A 51 8.383 -2.544 -2.067 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.076 -3.223 -0.731 1.00 0.00 C ATOM 766 CD2 LEU A 51 9.647 -3.159 -2.671 1.00 0.00 C ATOM 0 H LEU A 51 5.195 -2.431 -4.341 1.00 0.00 H new ATOM 0 HA LEU A 51 7.394 -0.621 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.282 -2.864 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.350 -3.668 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 51 8.537 -1.477 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.912 -3.076 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.174 -2.788 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.923 -4.290 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.485 -3.012 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.492 -4.226 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.866 -2.677 -3.624 1.00 0.00 H new ATOM 778 N GLU A 52 7.569 -2.341 -6.230 1.00 0.00 N ATOM 779 CA GLU A 52 8.433 -2.558 -7.433 1.00 0.00 C ATOM 780 C GLU A 52 9.038 -1.234 -7.916 1.00 0.00 C ATOM 781 O GLU A 52 8.625 -0.167 -7.506 1.00 0.00 O ATOM 782 CB GLU A 52 7.507 -3.150 -8.504 1.00 0.00 C ATOM 783 CG GLU A 52 6.339 -2.195 -8.774 1.00 0.00 C ATOM 784 CD GLU A 52 5.726 -2.511 -10.139 1.00 0.00 C ATOM 785 OE1 GLU A 52 6.481 -2.808 -11.051 1.00 0.00 O ATOM 786 OE2 GLU A 52 4.513 -2.451 -10.250 1.00 0.00 O ATOM 0 H GLU A 52 6.616 -2.694 -6.315 1.00 0.00 H new ATOM 0 HA GLU A 52 9.270 -3.220 -7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.066 -3.323 -9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.128 -4.117 -8.174 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.585 -2.296 -7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.687 -1.162 -8.750 1.00 0.00 H new ATOM 793 N ASP A 53 10.019 -1.298 -8.786 1.00 0.00 N ATOM 794 CA ASP A 53 10.669 -0.050 -9.309 1.00 0.00 C ATOM 795 C ASP A 53 11.146 0.838 -8.153 1.00 0.00 C ATOM 796 O ASP A 53 11.531 0.291 -7.132 1.00 0.00 O ATOM 797 CB ASP A 53 9.586 0.665 -10.125 1.00 0.00 C ATOM 798 CG ASP A 53 10.231 1.378 -11.315 1.00 0.00 C ATOM 799 OD1 ASP A 53 10.817 2.427 -11.104 1.00 0.00 O ATOM 800 OD2 ASP A 53 10.127 0.864 -12.416 1.00 0.00 O ATOM 801 OXT ASP A 53 11.118 2.048 -8.311 1.00 0.00 O ATOM 0 H ASP A 53 10.401 -2.167 -9.159 1.00 0.00 H new ATOM 0 HA ASP A 53 11.547 -0.277 -9.913 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.846 -0.054 -10.476 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.059 1.385 -9.498 1.00 0.00 H new TER 806 ASP A 53