USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 788 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 26 GLN : amide:sc= -12.1! C(o=-12!,f=-19!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -160:sc= 0.0829 (180deg=0) USER MOD Set 1.3: A 30 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: A 10 SER OG : rot -90:sc= -4.59! USER MOD Set 2.2: A 11 SER OG : rot 155:sc= 0.417! USER MOD Set 2.3: A 16 THR OG1 : rot 160:sc= -0.893 USER MOD Set 2.4: A 84 TYR OH : rot -111:sc= -6.15! USER MOD Set 3.1: A 5 HIS : no HD1:sc= -1.16 X(o=-0.64,f=-0.89) USER MOD Set 3.2: A 7 TYR OH : rot 108:sc= 0.519 USER MOD Single : A 4 LYS NZ :NH3+ -166:sc= -0.702 (180deg=-1.27!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.108 USER MOD Single : A 21 SER OG : rot 180:sc=-0.00348 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 159:sc= -6.14! (180deg=-8.79!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.116 F(o=-0.67,f=-0.12) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.324 F(o=-1.7,f=-0.32) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -146:sc= -12.9! (180deg=-23.3!) USER MOD Single : A 68 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.02) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.638 F(o=-4.4!,f=-0.64) USER MOD Single : A 74 LYS NZ :NH3+ -162:sc= -0.0876 (180deg=-0.926) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= -0.561 (180deg=-0.561) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 4 5.985 9.472 5.391 1.00 0.00 N ATOM 56 CA LYS A 4 4.703 9.270 4.778 1.00 0.00 C ATOM 57 C LYS A 4 4.178 7.823 4.834 1.00 0.00 C ATOM 58 O LYS A 4 4.898 6.844 4.647 1.00 0.00 O ATOM 59 CB LYS A 4 4.615 9.822 3.358 1.00 0.00 C ATOM 60 CG LYS A 4 4.016 11.253 3.345 1.00 0.00 C ATOM 61 CD LYS A 4 4.492 12.132 4.506 1.00 0.00 C ATOM 62 CE LYS A 4 3.531 12.192 5.670 1.00 0.00 C ATOM 63 NZ LYS A 4 2.159 11.840 5.249 1.00 0.00 N ATOM 0 HA LYS A 4 4.036 9.859 5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.608 9.837 2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.999 9.162 2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.276 11.737 2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.929 11.182 3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.452 11.758 4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.661 13.143 4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.861 11.509 6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.537 13.194 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.486 12.114 5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.926 12.343 4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.098 10.814 5.087 1.00 0.00 H new ATOM 77 N HIS A 5 2.854 7.705 5.157 1.00 0.00 N ATOM 78 CA HIS A 5 2.171 6.428 5.386 1.00 0.00 C ATOM 79 C HIS A 5 1.656 5.769 4.104 1.00 0.00 C ATOM 80 O HIS A 5 0.584 6.165 3.596 1.00 0.00 O ATOM 81 CB HIS A 5 1.116 6.523 6.487 1.00 0.00 C ATOM 82 CG HIS A 5 1.587 7.229 7.760 1.00 0.00 C ATOM 83 ND1 HIS A 5 0.836 7.617 8.806 1.00 0.00 N ATOM 84 CD2 HIS A 5 2.862 7.645 8.014 1.00 0.00 C ATOM 85 CE1 HIS A 5 1.568 8.449 9.580 1.00 0.00 C ATOM 86 NE2 HIS A 5 2.781 8.516 9.036 1.00 0.00 N ATOM 0 H HIS A 5 2.240 8.513 5.263 1.00 0.00 H new ATOM 0 HA HIS A 5 2.934 5.744 5.757 1.00 0.00 H new ATOM 0 HB2 HIS A 5 0.247 7.051 6.095 1.00 0.00 H new ATOM 0 HB3 HIS A 5 0.788 5.516 6.746 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.758 7.336 7.497 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.233 8.961 10.470 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.532 9.132 9.346 1.00 0.00 H new ATOM 94 N ILE A 6 2.375 4.745 3.634 1.00 0.00 N ATOM 95 CA ILE A 6 1.916 3.679 2.731 1.00 0.00 C ATOM 96 C ILE A 6 1.280 2.523 3.479 1.00 0.00 C ATOM 97 O ILE A 6 1.859 1.958 4.433 1.00 0.00 O ATOM 98 CB ILE A 6 3.028 3.276 1.727 1.00 0.00 C ATOM 99 CG1 ILE A 6 3.192 4.364 0.627 1.00 0.00 C ATOM 100 CG2 ILE A 6 2.849 1.877 1.134 1.00 0.00 C ATOM 101 CD1 ILE A 6 4.561 4.382 -0.093 1.00 0.00 C ATOM 0 H ILE A 6 3.356 4.629 3.889 1.00 0.00 H new ATOM 0 HA ILE A 6 1.105 4.074 2.119 1.00 0.00 H new ATOM 0 HB ILE A 6 3.955 3.219 2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.410 4.222 -0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.026 5.342 1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.665 1.668 0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.855 1.139 1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.899 1.826 0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.569 5.177 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.353 4.559 0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.727 3.423 -0.583 1.00 0.00 H new ATOM 113 N TYR A 7 0.039 2.150 3.072 1.00 0.00 N ATOM 114 CA TYR A 7 -0.860 1.185 3.726 1.00 0.00 C ATOM 115 C TYR A 7 -1.459 0.179 2.718 1.00 0.00 C ATOM 116 O TYR A 7 -1.835 0.521 1.585 1.00 0.00 O ATOM 117 CB TYR A 7 -1.981 1.895 4.528 1.00 0.00 C ATOM 118 CG TYR A 7 -1.505 2.698 5.773 1.00 0.00 C ATOM 119 CD1 TYR A 7 -0.289 2.386 6.381 1.00 0.00 C ATOM 120 CD2 TYR A 7 -2.341 3.699 6.239 1.00 0.00 C ATOM 121 CE1 TYR A 7 0.162 3.173 7.468 1.00 0.00 C ATOM 122 CE2 TYR A 7 -1.904 4.530 7.291 1.00 0.00 C ATOM 123 CZ TYR A 7 -0.723 4.160 7.983 1.00 0.00 C ATOM 124 OH TYR A 7 -0.439 4.783 9.133 1.00 0.00 O ATOM 0 H TYR A 7 -0.378 2.543 2.228 1.00 0.00 H new ATOM 0 HA TYR A 7 -0.250 0.621 4.432 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.509 2.574 3.859 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.702 1.145 4.854 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.301 1.554 6.027 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.318 3.842 5.801 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.145 3.029 7.892 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.452 5.421 7.561 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.180 5.710 8.948 1.00 0.00 H new ATOM 134 N LEU A 8 -1.518 -1.114 3.164 1.00 0.00 N ATOM 135 CA LEU A 8 -1.796 -2.303 2.393 1.00 0.00 C ATOM 136 C LEU A 8 -3.050 -3.062 2.893 1.00 0.00 C ATOM 137 O LEU A 8 -2.994 -3.757 3.917 1.00 0.00 O ATOM 138 CB LEU A 8 -0.522 -3.207 2.476 1.00 0.00 C ATOM 139 CG LEU A 8 0.681 -2.640 1.606 1.00 0.00 C ATOM 140 CD1 LEU A 8 1.973 -3.422 1.640 1.00 0.00 C ATOM 141 CD2 LEU A 8 0.142 -2.314 0.214 1.00 0.00 C ATOM 0 H LEU A 8 -1.356 -1.335 4.147 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.019 -2.026 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.207 -3.291 3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.770 -4.212 2.136 1.00 0.00 H new ATOM 0 HG LEU A 8 1.034 -1.723 2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.712 -2.931 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.345 -3.466 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.796 -4.433 1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.948 -1.922 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.259 -3.219 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.648 -1.568 0.295 1.00 0.00 H new ATOM 153 N PHE A 9 -4.160 -2.896 2.191 1.00 0.00 N ATOM 154 CA PHE A 9 -5.563 -3.322 2.574 1.00 0.00 C ATOM 155 C PHE A 9 -5.916 -4.517 1.655 1.00 0.00 C ATOM 156 O PHE A 9 -6.557 -4.405 0.654 1.00 0.00 O ATOM 157 CB PHE A 9 -6.433 -2.079 2.333 1.00 0.00 C ATOM 158 CG PHE A 9 -5.899 -0.833 3.086 1.00 0.00 C ATOM 159 CD1 PHE A 9 -5.442 -1.009 4.409 1.00 0.00 C ATOM 160 CD2 PHE A 9 -5.855 0.407 2.486 1.00 0.00 C ATOM 161 CE1 PHE A 9 -5.233 0.115 5.221 1.00 0.00 C ATOM 162 CE2 PHE A 9 -5.633 1.556 3.291 1.00 0.00 C ATOM 163 CZ PHE A 9 -5.125 1.370 4.610 1.00 0.00 C ATOM 0 H PHE A 9 -4.141 -2.437 1.280 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.698 -3.649 3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.471 -1.867 1.265 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.454 -2.285 2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.255 -2.001 4.793 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.987 0.504 1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.157 0.015 6.294 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.844 2.546 2.913 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.660 2.192 5.134 1.00 0.00 H new ATOM 173 N SER A 10 -5.178 -5.652 2.014 1.00 0.00 N ATOM 174 CA SER A 10 -5.195 -6.809 1.040 1.00 0.00 C ATOM 175 C SER A 10 -4.718 -8.105 1.757 1.00 0.00 C ATOM 176 O SER A 10 -4.505 -8.184 2.960 1.00 0.00 O ATOM 177 CB SER A 10 -4.151 -6.410 -0.027 1.00 0.00 C ATOM 178 OG SER A 10 -3.675 -7.551 -0.778 1.00 0.00 O ATOM 0 H SER A 10 -4.631 -5.776 2.866 1.00 0.00 H new ATOM 0 HA SER A 10 -6.186 -6.999 0.627 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.592 -5.685 -0.711 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.308 -5.919 0.458 1.00 0.00 H new ATOM 0 HG SER A 10 -2.889 -7.931 -0.332 1.00 0.00 H new ATOM 184 N SER A 11 -4.519 -9.166 0.933 1.00 0.00 N ATOM 185 CA SER A 11 -3.512 -10.207 1.108 1.00 0.00 C ATOM 186 C SER A 11 -4.052 -11.595 1.327 1.00 0.00 C ATOM 187 O SER A 11 -4.122 -12.444 0.415 1.00 0.00 O ATOM 188 CB SER A 11 -2.540 -9.812 2.219 1.00 0.00 C ATOM 189 OG SER A 11 -1.463 -10.620 2.413 1.00 0.00 O ATOM 0 H SER A 11 -5.087 -9.312 0.099 1.00 0.00 H new ATOM 0 HA SER A 11 -2.989 -10.270 0.154 1.00 0.00 H new ATOM 0 HB2 SER A 11 -2.176 -8.806 2.009 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.097 -9.760 3.154 1.00 0.00 H new ATOM 0 HG SER A 11 -0.736 -10.104 2.820 1.00 0.00 H new ATOM 195 N ALA A 12 -4.519 -11.849 2.592 1.00 0.00 N ATOM 196 CA ALA A 12 -4.620 -13.177 3.186 1.00 0.00 C ATOM 197 C ALA A 12 -3.810 -13.300 4.502 1.00 0.00 C ATOM 198 O ALA A 12 -4.336 -13.111 5.572 1.00 0.00 O ATOM 199 CB ALA A 12 -4.197 -14.285 2.235 1.00 0.00 C ATOM 0 H ALA A 12 -4.835 -11.108 3.217 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.679 -13.302 3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.294 -15.249 2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.834 -14.268 1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.159 -14.133 1.938 1.00 0.00 H new ATOM 205 N GLY A 13 -2.513 -13.676 4.319 1.00 0.00 N ATOM 206 CA GLY A 13 -1.520 -13.791 5.397 1.00 0.00 C ATOM 207 C GLY A 13 -0.356 -12.849 5.334 1.00 0.00 C ATOM 208 O GLY A 13 -0.351 -11.720 5.909 1.00 0.00 O ATOM 0 H GLY A 13 -2.134 -13.908 3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.030 -13.641 6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.135 -14.811 5.399 1.00 0.00 H new ATOM 212 N MET A 14 0.778 -13.291 4.702 1.00 0.00 N ATOM 213 CA MET A 14 2.018 -12.587 4.570 1.00 0.00 C ATOM 214 C MET A 14 2.732 -12.680 3.224 1.00 0.00 C ATOM 215 O MET A 14 3.784 -13.342 3.064 1.00 0.00 O ATOM 216 CB MET A 14 3.066 -13.061 5.673 1.00 0.00 C ATOM 217 CG MET A 14 3.349 -14.554 5.445 1.00 0.00 C ATOM 218 SD MET A 14 3.044 -15.630 6.917 1.00 0.00 S ATOM 219 CE MET A 14 4.738 -15.961 7.407 1.00 0.00 C ATOM 0 H MET A 14 0.812 -14.208 4.257 1.00 0.00 H new ATOM 0 HA MET A 14 1.702 -11.551 4.689 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.987 -12.482 5.598 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.667 -12.897 6.674 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.730 -14.906 4.620 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.388 -14.670 5.136 1.00 0.00 H new ATOM 0 HE1 MET A 14 4.743 -16.602 8.288 1.00 0.00 H new ATOM 0 HE2 MET A 14 5.262 -16.460 6.592 1.00 0.00 H new ATOM 0 HE3 MET A 14 5.240 -15.022 7.639 1.00 0.00 H new ATOM 229 N SER A 15 2.200 -12.005 2.189 1.00 0.00 N ATOM 230 CA SER A 15 2.913 -11.368 1.087 1.00 0.00 C ATOM 231 C SER A 15 2.386 -9.885 0.893 1.00 0.00 C ATOM 232 O SER A 15 2.448 -9.299 -0.142 1.00 0.00 O ATOM 233 CB SER A 15 2.704 -12.145 -0.194 1.00 0.00 C ATOM 234 OG SER A 15 2.022 -13.412 0.047 1.00 0.00 O ATOM 0 H SER A 15 1.191 -11.887 2.103 1.00 0.00 H new ATOM 0 HA SER A 15 3.977 -11.351 1.324 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.120 -11.545 -0.892 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.668 -12.335 -0.666 1.00 0.00 H new ATOM 0 HG SER A 15 1.903 -13.886 -0.802 1.00 0.00 H new ATOM 240 N THR A 16 1.945 -9.368 2.084 1.00 0.00 N ATOM 241 CA THR A 16 1.844 -7.948 2.446 1.00 0.00 C ATOM 242 C THR A 16 2.954 -7.554 3.465 1.00 0.00 C ATOM 243 O THR A 16 3.793 -6.719 3.206 1.00 0.00 O ATOM 244 CB THR A 16 0.500 -7.582 3.064 1.00 0.00 C ATOM 245 OG1 THR A 16 -0.316 -8.739 3.339 1.00 0.00 O ATOM 246 CG2 THR A 16 -0.231 -6.473 2.298 1.00 0.00 C ATOM 0 H THR A 16 1.639 -9.977 2.843 1.00 0.00 H new ATOM 0 HA THR A 16 1.960 -7.403 1.509 1.00 0.00 H new ATOM 0 HB THR A 16 0.719 -7.147 4.039 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.999 -8.508 4.003 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.181 -6.258 2.788 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.383 -5.573 2.287 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.416 -6.799 1.274 1.00 0.00 H new ATOM 254 N SER A 17 2.861 -8.185 4.656 1.00 0.00 N ATOM 255 CA SER A 17 3.563 -7.752 5.885 1.00 0.00 C ATOM 256 C SER A 17 5.090 -7.713 5.722 1.00 0.00 C ATOM 257 O SER A 17 5.786 -6.893 6.392 1.00 0.00 O ATOM 258 CB SER A 17 3.184 -8.660 7.058 1.00 0.00 C ATOM 259 OG SER A 17 1.973 -9.416 6.803 1.00 0.00 O ATOM 0 H SER A 17 2.290 -9.019 4.793 1.00 0.00 H new ATOM 0 HA SER A 17 3.240 -6.731 6.087 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.004 -9.349 7.260 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.049 -8.054 7.954 1.00 0.00 H new ATOM 0 HG SER A 17 1.771 -9.982 7.577 1.00 0.00 H new ATOM 265 N LEU A 18 5.631 -8.602 4.870 1.00 0.00 N ATOM 266 CA LEU A 18 7.052 -8.744 4.509 1.00 0.00 C ATOM 267 C LEU A 18 7.326 -7.912 3.256 1.00 0.00 C ATOM 268 O LEU A 18 8.503 -7.703 2.907 1.00 0.00 O ATOM 269 CB LEU A 18 7.276 -10.232 4.184 1.00 0.00 C ATOM 270 CG LEU A 18 8.094 -11.098 5.168 1.00 0.00 C ATOM 271 CD1 LEU A 18 9.580 -11.257 4.778 1.00 0.00 C ATOM 272 CD2 LEU A 18 7.881 -10.672 6.622 1.00 0.00 C ATOM 0 H LEU A 18 5.049 -9.284 4.384 1.00 0.00 H new ATOM 0 HA LEU A 18 7.707 -8.410 5.313 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.296 -10.696 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.766 -10.287 3.212 1.00 0.00 H new ATOM 0 HG LEU A 18 7.691 -12.107 5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.086 -11.878 5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.650 -11.730 3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.054 -10.276 4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.475 -11.308 7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.189 -9.634 6.746 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.826 -10.770 6.879 1.00 0.00 H new ATOM 284 N LEU A 19 6.275 -7.508 2.537 1.00 0.00 N ATOM 285 CA LEU A 19 6.276 -6.549 1.386 1.00 0.00 C ATOM 286 C LEU A 19 6.230 -5.124 1.906 1.00 0.00 C ATOM 287 O LEU A 19 6.814 -4.203 1.285 1.00 0.00 O ATOM 288 CB LEU A 19 5.133 -6.965 0.500 1.00 0.00 C ATOM 289 CG LEU A 19 4.076 -6.103 -0.097 1.00 0.00 C ATOM 290 CD1 LEU A 19 4.435 -4.554 -0.143 1.00 0.00 C ATOM 291 CD2 LEU A 19 3.619 -6.561 -1.501 1.00 0.00 C ATOM 0 H LEU A 19 5.336 -7.852 2.740 1.00 0.00 H new ATOM 0 HA LEU A 19 7.185 -6.575 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.598 -7.471 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.594 -7.723 1.068 1.00 0.00 H new ATOM 0 HG LEU A 19 3.246 -6.231 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.609 -4.002 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.605 -4.190 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.336 -4.407 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.848 -5.885 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.470 -6.549 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.216 -7.572 -1.441 1.00 0.00 H new ATOM 303 N VAL A 20 5.491 -4.827 2.998 1.00 0.00 N ATOM 304 CA VAL A 20 5.606 -3.582 3.798 1.00 0.00 C ATOM 305 C VAL A 20 7.057 -3.584 4.428 1.00 0.00 C ATOM 306 O VAL A 20 7.693 -2.578 4.578 1.00 0.00 O ATOM 307 CB VAL A 20 4.542 -3.550 4.869 1.00 0.00 C ATOM 308 CG1 VAL A 20 4.557 -2.361 5.831 1.00 0.00 C ATOM 309 CG2 VAL A 20 3.095 -3.781 4.322 1.00 0.00 C ATOM 0 H VAL A 20 4.779 -5.462 3.359 1.00 0.00 H new ATOM 0 HA VAL A 20 5.460 -2.695 3.182 1.00 0.00 H new ATOM 0 HB VAL A 20 4.839 -4.407 5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.742 -2.463 6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.508 -2.336 6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.432 -1.436 5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.384 -3.745 5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.851 -3.003 3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.040 -4.756 3.839 1.00 0.00 H new ATOM 319 N SER A 21 7.383 -4.808 4.949 1.00 0.00 N ATOM 320 CA SER A 21 8.638 -5.051 5.732 1.00 0.00 C ATOM 321 C SER A 21 9.846 -5.302 4.873 1.00 0.00 C ATOM 322 O SER A 21 10.999 -5.344 5.304 1.00 0.00 O ATOM 323 CB SER A 21 8.394 -6.178 6.715 1.00 0.00 C ATOM 324 OG SER A 21 9.484 -7.130 6.673 1.00 0.00 O ATOM 0 H SER A 21 6.798 -5.636 4.841 1.00 0.00 H new ATOM 0 HA SER A 21 8.876 -4.137 6.276 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.294 -5.775 7.723 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.456 -6.679 6.478 1.00 0.00 H new ATOM 0 HG SER A 21 9.313 -7.851 7.314 1.00 0.00 H new ATOM 330 N LYS A 22 9.584 -5.424 3.521 1.00 0.00 N ATOM 331 CA LYS A 22 10.607 -5.275 2.494 1.00 0.00 C ATOM 332 C LYS A 22 10.635 -3.873 1.861 1.00 0.00 C ATOM 333 O LYS A 22 11.687 -3.363 1.447 1.00 0.00 O ATOM 334 CB LYS A 22 10.485 -6.353 1.392 1.00 0.00 C ATOM 335 CG LYS A 22 11.808 -6.418 0.583 1.00 0.00 C ATOM 336 CD LYS A 22 11.720 -7.244 -0.712 1.00 0.00 C ATOM 337 CE LYS A 22 11.836 -8.731 -0.350 1.00 0.00 C ATOM 338 NZ LYS A 22 13.248 -9.176 -0.331 1.00 0.00 N ATOM 0 H LYS A 22 8.656 -5.627 3.149 1.00 0.00 H new ATOM 0 HA LYS A 22 11.554 -5.414 3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.272 -7.324 1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.652 -6.118 0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.117 -5.403 0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.587 -6.841 1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.776 -7.051 -1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.517 -6.958 -1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.385 -8.905 0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.275 -9.327 -1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.291 -10.185 -0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.670 -9.032 -1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.777 -8.624 0.374 1.00 0.00 H new ATOM 352 N MET A 23 9.424 -3.274 1.783 1.00 0.00 N ATOM 353 CA MET A 23 9.232 -1.844 1.414 1.00 0.00 C ATOM 354 C MET A 23 9.843 -0.957 2.512 1.00 0.00 C ATOM 355 O MET A 23 10.343 0.137 2.288 1.00 0.00 O ATOM 356 CB MET A 23 7.732 -1.537 1.274 1.00 0.00 C ATOM 357 CG MET A 23 7.202 -1.937 -0.117 1.00 0.00 C ATOM 358 SD MET A 23 5.757 -0.994 -0.720 1.00 0.00 S ATOM 359 CE MET A 23 6.422 0.679 -0.660 1.00 0.00 C ATOM 0 H MET A 23 8.550 -3.765 1.973 1.00 0.00 H new ATOM 0 HA MET A 23 9.723 -1.643 0.462 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.176 -2.072 2.044 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.560 -0.473 1.438 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.011 -1.826 -0.839 1.00 0.00 H new ATOM 0 HG3 MET A 23 6.938 -2.994 -0.094 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.844 1.324 -1.321 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.363 1.058 0.360 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.463 0.669 -0.983 1.00 0.00 H new ATOM 369 N ARG A 24 9.788 -1.483 3.767 1.00 0.00 N ATOM 370 CA ARG A 24 10.460 -0.907 4.955 1.00 0.00 C ATOM 371 C ARG A 24 11.998 -1.069 4.835 1.00 0.00 C ATOM 372 O ARG A 24 12.735 -0.093 4.986 1.00 0.00 O ATOM 373 CB ARG A 24 9.939 -1.556 6.240 1.00 0.00 C ATOM 374 CG ARG A 24 8.533 -1.079 6.620 1.00 0.00 C ATOM 375 CD ARG A 24 7.850 -1.991 7.665 1.00 0.00 C ATOM 376 NE ARG A 24 6.653 -1.309 8.208 1.00 0.00 N ATOM 377 CZ ARG A 24 5.927 -1.672 9.280 1.00 0.00 C ATOM 378 NH1 ARG A 24 6.307 -2.685 10.106 1.00 0.00 N ATOM 379 NH2 ARG A 24 4.835 -0.967 9.659 1.00 0.00 N ATOM 0 H ARG A 24 9.266 -2.333 3.980 1.00 0.00 H new ATOM 0 HA ARG A 24 10.231 0.158 5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.929 -2.639 6.116 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.626 -1.335 7.057 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.593 -0.065 7.015 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.915 -1.036 5.723 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.565 -2.938 7.206 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.546 -2.224 8.471 1.00 0.00 H new ATOM 0 HE ARG A 24 6.345 -0.471 7.714 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.169 -3.198 9.921 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.730 -2.931 10.910 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.550 -0.144 9.128 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.298 -1.259 10.475 1.00 0.00 H new ATOM 393 N ALA A 25 12.431 -2.326 4.625 1.00 0.00 N ATOM 394 CA ALA A 25 13.805 -2.641 4.167 1.00 0.00 C ATOM 395 C ALA A 25 14.316 -1.527 3.186 1.00 0.00 C ATOM 396 O ALA A 25 15.155 -0.743 3.516 1.00 0.00 O ATOM 397 CB ALA A 25 13.921 -4.009 3.576 1.00 0.00 C ATOM 0 H ALA A 25 11.846 -3.150 4.766 1.00 0.00 H new ATOM 0 HA ALA A 25 14.451 -2.650 5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.949 -4.182 3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.641 -4.753 4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.257 -4.091 2.715 1.00 0.00 H new ATOM 403 N GLN A 26 13.710 -1.558 1.983 1.00 0.00 N ATOM 404 CA GLN A 26 13.699 -0.445 0.998 1.00 0.00 C ATOM 405 C GLN A 26 14.083 0.891 1.724 1.00 0.00 C ATOM 406 O GLN A 26 15.031 1.551 1.324 1.00 0.00 O ATOM 407 CB GLN A 26 12.270 -0.304 0.492 1.00 0.00 C ATOM 408 CG GLN A 26 12.074 -0.452 -1.041 1.00 0.00 C ATOM 409 CD GLN A 26 12.574 -1.799 -1.561 1.00 0.00 C ATOM 410 OE1 GLN A 26 13.404 -1.951 -2.495 1.00 0.00 O ATOM 411 NE2 GLN A 26 12.067 -2.915 -0.980 1.00 0.00 N ATOM 0 H GLN A 26 13.199 -2.378 1.655 1.00 0.00 H new ATOM 0 HA GLN A 26 14.400 -0.645 0.188 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.653 -1.051 0.991 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.893 0.673 0.794 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.017 -0.341 -1.282 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.604 0.352 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.392 -2.832 -0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.361 -3.837 -1.303 1.00 0.00 H new ATOM 420 N ALA A 27 13.279 1.230 2.735 1.00 0.00 N ATOM 421 CA ALA A 27 13.288 2.563 3.402 1.00 0.00 C ATOM 422 C ALA A 27 14.559 2.742 4.236 1.00 0.00 C ATOM 423 O ALA A 27 15.514 3.418 3.843 1.00 0.00 O ATOM 424 CB ALA A 27 12.023 2.797 4.181 1.00 0.00 C ATOM 0 H ALA A 27 12.590 0.589 3.128 1.00 0.00 H new ATOM 0 HA ALA A 27 13.309 3.338 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 27 12.063 3.778 4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.167 2.754 3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.920 2.029 4.947 1.00 0.00 H new ATOM 430 N GLU A 28 14.551 2.150 5.458 1.00 0.00 N ATOM 431 CA GLU A 28 15.771 1.957 6.284 1.00 0.00 C ATOM 432 C GLU A 28 17.017 1.712 5.412 1.00 0.00 C ATOM 433 O GLU A 28 18.110 2.179 5.721 1.00 0.00 O ATOM 434 CB GLU A 28 15.558 0.785 7.270 1.00 0.00 C ATOM 435 CG GLU A 28 14.674 1.226 8.462 1.00 0.00 C ATOM 436 CD GLU A 28 13.655 2.305 8.116 1.00 0.00 C ATOM 437 OE1 GLU A 28 12.572 1.880 7.551 1.00 0.00 O ATOM 438 OE2 GLU A 28 13.859 3.503 8.369 1.00 0.00 O ATOM 0 H GLU A 28 13.702 1.794 5.897 1.00 0.00 H new ATOM 0 HA GLU A 28 15.946 2.873 6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.088 -0.051 6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 28 16.522 0.432 7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.147 0.355 8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.318 1.592 9.262 1.00 0.00 H new ATOM 445 N LYS A 29 16.867 0.894 4.351 1.00 0.00 N ATOM 446 CA LYS A 29 17.869 0.663 3.308 1.00 0.00 C ATOM 447 C LYS A 29 18.485 1.980 2.800 1.00 0.00 C ATOM 448 O LYS A 29 19.692 2.157 2.735 1.00 0.00 O ATOM 449 CB LYS A 29 17.190 -0.064 2.092 1.00 0.00 C ATOM 450 CG LYS A 29 18.217 -0.302 0.984 1.00 0.00 C ATOM 451 CD LYS A 29 18.029 -1.511 0.085 1.00 0.00 C ATOM 452 CE LYS A 29 16.541 -1.691 -0.263 1.00 0.00 C ATOM 453 NZ LYS A 29 16.410 -2.643 -1.407 1.00 0.00 N ATOM 0 H LYS A 29 16.012 0.360 4.198 1.00 0.00 H new ATOM 0 HA LYS A 29 18.662 0.054 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.766 -1.014 2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.366 0.539 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.237 0.585 0.351 1.00 0.00 H new ATOM 0 HG3 LYS A 29 19.199 -0.382 1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.611 -1.388 -0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 29 18.404 -2.405 0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.997 -2.069 0.603 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.098 -0.730 -0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.483 -2.515 -1.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.163 -2.458 -2.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.493 -3.619 -1.058 1.00 0.00 H new ATOM 467 N TYR A 30 17.563 2.896 2.363 1.00 0.00 N ATOM 468 CA TYR A 30 17.841 4.050 1.493 1.00 0.00 C ATOM 469 C TYR A 30 17.737 5.393 2.235 1.00 0.00 C ATOM 470 O TYR A 30 18.403 6.397 1.850 1.00 0.00 O ATOM 471 CB TYR A 30 16.788 4.027 0.302 1.00 0.00 C ATOM 472 CG TYR A 30 17.035 2.894 -0.695 1.00 0.00 C ATOM 473 CD1 TYR A 30 18.340 2.778 -1.203 1.00 0.00 C ATOM 474 CD2 TYR A 30 16.042 1.979 -1.045 1.00 0.00 C ATOM 475 CE1 TYR A 30 18.609 1.816 -2.205 1.00 0.00 C ATOM 476 CE2 TYR A 30 16.262 1.072 -2.099 1.00 0.00 C ATOM 477 CZ TYR A 30 17.549 1.023 -2.679 1.00 0.00 C ATOM 478 OH TYR A 30 17.784 0.155 -3.686 1.00 0.00 O ATOM 0 H TYR A 30 16.579 2.834 2.625 1.00 0.00 H new ATOM 0 HA TYR A 30 18.866 3.967 1.131 1.00 0.00 H new ATOM 0 HB2 TYR A 30 15.784 3.928 0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 30 16.823 4.981 -0.225 1.00 0.00 H new ATOM 0 HD1 TYR A 30 19.129 3.416 -0.833 1.00 0.00 H new ATOM 0 HD2 TYR A 30 15.105 1.966 -0.508 1.00 0.00 H new ATOM 0 HE1 TYR A 30 19.608 1.693 -2.598 1.00 0.00 H new ATOM 0 HE2 TYR A 30 15.469 0.431 -2.454 1.00 0.00 H new ATOM 0 HH TYR A 30 17.184 -0.615 -3.601 1.00 0.00 H new ATOM 488 N GLU A 31 16.896 5.408 3.267 1.00 0.00 N ATOM 489 CA GLU A 31 16.595 6.596 4.121 1.00 0.00 C ATOM 490 C GLU A 31 15.411 7.389 3.540 1.00 0.00 C ATOM 491 O GLU A 31 15.362 8.612 3.655 1.00 0.00 O ATOM 492 CB GLU A 31 17.866 7.505 4.171 1.00 0.00 C ATOM 493 CG GLU A 31 17.683 8.667 5.130 1.00 0.00 C ATOM 494 CD GLU A 31 17.732 10.040 4.486 1.00 0.00 C ATOM 495 OE1 GLU A 31 18.795 10.538 4.083 1.00 0.00 O ATOM 496 OE2 GLU A 31 16.573 10.622 4.416 1.00 0.00 O ATOM 0 H GLU A 31 16.380 4.577 3.556 1.00 0.00 H new ATOM 0 HA GLU A 31 16.327 6.266 5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.727 6.911 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 31 18.081 7.886 3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.725 8.553 5.637 1.00 0.00 H new ATOM 0 HG3 GLU A 31 18.457 8.613 5.896 1.00 0.00 H new ATOM 503 N VAL A 32 14.529 6.643 2.845 1.00 0.00 N ATOM 504 CA VAL A 32 13.354 7.218 2.099 1.00 0.00 C ATOM 505 C VAL A 32 12.250 7.492 3.131 1.00 0.00 C ATOM 506 O VAL A 32 11.956 6.672 4.007 1.00 0.00 O ATOM 507 CB VAL A 32 12.925 6.156 1.045 1.00 0.00 C ATOM 508 CG1 VAL A 32 11.574 6.369 0.383 1.00 0.00 C ATOM 509 CG2 VAL A 32 14.031 5.870 0.009 1.00 0.00 C ATOM 0 H VAL A 32 14.596 5.628 2.775 1.00 0.00 H new ATOM 0 HA VAL A 32 13.580 8.151 1.583 1.00 0.00 H new ATOM 0 HB VAL A 32 12.779 5.261 1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.388 5.566 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.792 6.368 1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.572 7.326 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 32 13.679 5.123 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.278 6.789 -0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.919 5.496 0.519 1.00 0.00 H new ATOM 519 N PRO A 33 11.652 8.702 3.033 1.00 0.00 N ATOM 520 CA PRO A 33 10.508 9.135 3.860 1.00 0.00 C ATOM 521 C PRO A 33 9.074 8.728 3.416 1.00 0.00 C ATOM 522 O PRO A 33 8.290 9.521 2.896 1.00 0.00 O ATOM 523 CB PRO A 33 10.684 10.607 4.056 1.00 0.00 C ATOM 524 CG PRO A 33 11.397 11.082 2.783 1.00 0.00 C ATOM 525 CD PRO A 33 12.174 9.854 2.271 1.00 0.00 C ATOM 0 HA PRO A 33 10.547 8.574 4.794 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.724 11.108 4.184 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.276 10.821 4.946 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.682 11.433 2.039 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.070 11.913 2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.024 9.715 1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.246 9.975 2.430 1.00 0.00 H new ATOM 533 N VAL A 34 8.728 7.496 3.913 1.00 0.00 N ATOM 534 CA VAL A 34 7.370 6.989 3.895 1.00 0.00 C ATOM 535 C VAL A 34 7.234 5.649 4.594 1.00 0.00 C ATOM 536 O VAL A 34 7.581 4.593 4.035 1.00 0.00 O ATOM 537 CB VAL A 34 6.781 7.096 2.483 1.00 0.00 C ATOM 538 CG1 VAL A 34 7.747 7.102 1.311 1.00 0.00 C ATOM 539 CG2 VAL A 34 5.597 6.114 2.268 1.00 0.00 C ATOM 0 H VAL A 34 9.401 6.852 4.329 1.00 0.00 H new ATOM 0 HA VAL A 34 6.734 7.626 4.510 1.00 0.00 H new ATOM 0 HB VAL A 34 6.403 8.118 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.188 7.182 0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.424 7.951 1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.323 6.177 1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.212 6.225 1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.942 5.091 2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.805 6.336 2.983 1.00 0.00 H new ATOM 549 N ILE A 35 6.756 5.662 5.843 1.00 0.00 N ATOM 550 CA ILE A 35 6.178 4.507 6.597 1.00 0.00 C ATOM 551 C ILE A 35 5.284 3.679 5.651 1.00 0.00 C ATOM 552 O ILE A 35 4.548 4.219 4.823 1.00 0.00 O ATOM 553 CB ILE A 35 5.416 5.021 7.838 1.00 0.00 C ATOM 554 CG1 ILE A 35 6.332 5.157 9.069 1.00 0.00 C ATOM 555 CG2 ILE A 35 4.079 4.343 8.105 1.00 0.00 C ATOM 556 CD1 ILE A 35 6.604 6.614 9.533 1.00 0.00 C ATOM 0 H ILE A 35 6.755 6.517 6.399 1.00 0.00 H new ATOM 0 HA ILE A 35 6.970 3.851 6.959 1.00 0.00 H new ATOM 0 HB ILE A 35 5.107 6.036 7.587 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.885 4.606 9.897 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.286 4.679 8.846 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.624 4.774 8.997 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.418 4.493 7.251 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.237 3.275 8.258 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.258 6.602 10.405 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.084 7.169 8.727 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.661 7.095 9.794 1.00 0.00 H new ATOM 568 N ILE A 36 5.362 2.341 5.815 1.00 0.00 N ATOM 569 CA ILE A 36 4.490 1.317 5.195 1.00 0.00 C ATOM 570 C ILE A 36 3.876 0.430 6.300 1.00 0.00 C ATOM 571 O ILE A 36 4.507 0.130 7.267 1.00 0.00 O ATOM 572 CB ILE A 36 5.230 0.539 4.073 1.00 0.00 C ATOM 573 CG1 ILE A 36 6.046 1.513 3.173 1.00 0.00 C ATOM 574 CG2 ILE A 36 4.298 -0.357 3.250 1.00 0.00 C ATOM 575 CD1 ILE A 36 7.560 1.221 3.087 1.00 0.00 C ATOM 0 H ILE A 36 6.073 1.922 6.415 1.00 0.00 H new ATOM 0 HA ILE A 36 3.657 1.796 4.681 1.00 0.00 H new ATOM 0 HB ILE A 36 5.930 -0.138 4.563 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.630 1.486 2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.909 2.528 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.874 -0.874 2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.826 -1.090 3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.530 0.254 2.777 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.036 1.955 2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.999 1.280 4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.715 0.222 2.680 1.00 0.00 H new ATOM 587 N GLU A 37 2.585 0.097 6.076 1.00 0.00 N ATOM 588 CA GLU A 37 1.762 -0.756 6.942 1.00 0.00 C ATOM 589 C GLU A 37 0.633 -1.436 6.113 1.00 0.00 C ATOM 590 O GLU A 37 0.231 -0.931 5.084 1.00 0.00 O ATOM 591 CB GLU A 37 1.182 0.009 8.124 1.00 0.00 C ATOM 592 CG GLU A 37 1.772 -0.373 9.473 1.00 0.00 C ATOM 593 CD GLU A 37 1.930 -1.892 9.693 1.00 0.00 C ATOM 594 OE1 GLU A 37 1.699 -2.679 8.803 1.00 0.00 O ATOM 595 OE2 GLU A 37 2.301 -2.177 10.909 1.00 0.00 O ATOM 0 H GLU A 37 2.076 0.430 5.257 1.00 0.00 H new ATOM 0 HA GLU A 37 2.412 -1.527 7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.338 1.076 7.962 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.105 -0.155 8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.749 0.100 9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.137 0.032 10.261 1.00 0.00 H new ATOM 602 N ALA A 38 0.216 -2.629 6.570 1.00 0.00 N ATOM 603 CA ALA A 38 -0.840 -3.469 5.975 1.00 0.00 C ATOM 604 C ALA A 38 -1.989 -3.756 6.966 1.00 0.00 C ATOM 605 O ALA A 38 -1.828 -3.654 8.172 1.00 0.00 O ATOM 606 CB ALA A 38 -0.227 -4.818 5.541 1.00 0.00 C ATOM 0 H ALA A 38 0.624 -3.054 7.402 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.251 -2.924 5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.002 -5.445 5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.558 -4.641 4.806 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.196 -5.322 6.410 1.00 0.00 H new ATOM 612 N PHE A 39 -3.176 -4.072 6.410 1.00 0.00 N ATOM 613 CA PHE A 39 -4.480 -4.282 7.047 1.00 0.00 C ATOM 614 C PHE A 39 -5.461 -4.891 6.063 1.00 0.00 C ATOM 615 O PHE A 39 -5.147 -5.066 4.858 1.00 0.00 O ATOM 616 CB PHE A 39 -5.017 -2.872 7.529 1.00 0.00 C ATOM 617 CG PHE A 39 -3.908 -1.934 7.988 1.00 0.00 C ATOM 618 CD1 PHE A 39 -3.170 -1.187 7.065 1.00 0.00 C ATOM 619 CD2 PHE A 39 -3.603 -1.886 9.385 1.00 0.00 C ATOM 620 CE1 PHE A 39 -2.388 -0.128 7.540 1.00 0.00 C ATOM 621 CE2 PHE A 39 -2.533 -1.070 9.791 1.00 0.00 C ATOM 622 CZ PHE A 39 -2.106 -0.043 8.937 1.00 0.00 C ATOM 0 H PHE A 39 -3.246 -4.198 5.400 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.376 -4.966 7.889 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.568 -2.402 6.714 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.722 -3.019 8.347 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.203 -1.421 6.011 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.175 -2.456 10.102 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.003 0.616 6.858 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.049 -1.231 10.743 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.568 0.806 9.333 1.00 0.00 H new ATOM 632 N PRO A 40 -6.650 -5.389 6.500 1.00 0.00 N ATOM 633 CA PRO A 40 -7.703 -6.035 5.751 1.00 0.00 C ATOM 634 C PRO A 40 -8.971 -5.273 5.323 1.00 0.00 C ATOM 635 O PRO A 40 -10.120 -5.625 5.611 1.00 0.00 O ATOM 636 CB PRO A 40 -8.026 -7.275 6.616 1.00 0.00 C ATOM 637 CG PRO A 40 -7.924 -6.726 8.043 1.00 0.00 C ATOM 638 CD PRO A 40 -6.931 -5.566 7.976 1.00 0.00 C ATOM 0 HA PRO A 40 -7.322 -6.211 4.745 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.020 -7.669 6.404 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.318 -8.085 6.442 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.896 -6.388 8.402 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.580 -7.496 8.734 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.351 -4.659 8.411 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.019 -5.792 8.529 1.00 0.00 H new ATOM 646 N GLU A 41 -8.719 -4.314 4.424 1.00 0.00 N ATOM 647 CA GLU A 41 -9.570 -3.195 4.060 1.00 0.00 C ATOM 648 C GLU A 41 -10.328 -2.514 5.200 1.00 0.00 C ATOM 649 O GLU A 41 -10.422 -1.274 5.252 1.00 0.00 O ATOM 650 CB GLU A 41 -10.509 -3.565 2.889 1.00 0.00 C ATOM 651 CG GLU A 41 -11.702 -4.408 3.259 1.00 0.00 C ATOM 652 CD GLU A 41 -13.028 -3.598 3.473 1.00 0.00 C ATOM 653 OE1 GLU A 41 -12.930 -2.365 3.284 1.00 0.00 O ATOM 654 OE2 GLU A 41 -14.045 -4.256 3.801 1.00 0.00 O ATOM 0 H GLU A 41 -7.846 -4.308 3.897 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.867 -2.428 3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.865 -2.645 2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.929 -4.097 2.135 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.865 -5.148 2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.474 -4.956 4.173 1.00 0.00 H new ATOM 661 N THR A 42 -10.991 -3.325 6.079 1.00 0.00 N ATOM 662 CA THR A 42 -11.569 -2.933 7.403 1.00 0.00 C ATOM 663 C THR A 42 -10.914 -1.642 7.949 1.00 0.00 C ATOM 664 O THR A 42 -11.618 -0.772 8.500 1.00 0.00 O ATOM 665 CB THR A 42 -11.526 -3.993 8.487 1.00 0.00 C ATOM 666 OG1 THR A 42 -10.703 -3.640 9.619 1.00 0.00 O ATOM 667 CG2 THR A 42 -11.205 -5.412 7.938 1.00 0.00 C ATOM 0 H THR A 42 -11.144 -4.313 5.875 1.00 0.00 H new ATOM 0 HA THR A 42 -12.623 -2.774 7.173 1.00 0.00 H new ATOM 0 HB THR A 42 -12.545 -4.035 8.873 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.723 -4.366 10.277 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.188 -6.126 8.762 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.970 -5.706 7.219 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.231 -5.401 7.448 1.00 0.00 H new ATOM 675 N LEU A 43 -9.562 -1.575 7.891 1.00 0.00 N ATOM 676 CA LEU A 43 -8.683 -0.567 8.475 1.00 0.00 C ATOM 677 C LEU A 43 -8.360 0.520 7.409 1.00 0.00 C ATOM 678 O LEU A 43 -7.957 1.625 7.799 1.00 0.00 O ATOM 679 CB LEU A 43 -7.423 -1.265 8.967 1.00 0.00 C ATOM 680 CG LEU A 43 -7.018 -1.239 10.460 1.00 0.00 C ATOM 681 CD1 LEU A 43 -8.094 -0.636 11.398 1.00 0.00 C ATOM 682 CD2 LEU A 43 -6.594 -2.659 10.971 1.00 0.00 C ATOM 0 H LEU A 43 -9.029 -2.287 7.392 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.162 -0.068 9.318 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.508 -2.313 8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.588 -0.847 8.404 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.158 -0.570 10.502 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.732 -0.655 12.426 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.298 0.394 11.104 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.010 -1.222 11.325 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.317 -2.599 12.023 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.428 -3.352 10.854 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.742 -3.015 10.391 1.00 0.00 H new ATOM 694 N ALA A 44 -8.530 0.187 6.113 1.00 0.00 N ATOM 695 CA ALA A 44 -8.525 1.224 5.024 1.00 0.00 C ATOM 696 C ALA A 44 -9.149 2.529 5.510 1.00 0.00 C ATOM 697 O ALA A 44 -8.515 3.596 5.466 1.00 0.00 O ATOM 698 CB ALA A 44 -9.237 0.699 3.779 1.00 0.00 C ATOM 0 H ALA A 44 -8.671 -0.768 5.784 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.490 1.434 4.756 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.223 1.464 3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.727 -0.194 3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -10.269 0.453 4.027 1.00 0.00 H new ATOM 704 N GLY A 45 -10.413 2.460 5.953 1.00 0.00 N ATOM 705 CA GLY A 45 -11.200 3.551 6.547 1.00 0.00 C ATOM 706 C GLY A 45 -10.376 4.495 7.441 1.00 0.00 C ATOM 707 O GLY A 45 -10.313 5.719 7.167 1.00 0.00 O ATOM 0 H GLY A 45 -10.944 1.591 5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.660 4.132 5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.011 3.123 7.137 1.00 0.00 H new ATOM 711 N GLU A 46 -9.773 3.944 8.505 1.00 0.00 N ATOM 712 CA GLU A 46 -9.171 4.680 9.633 1.00 0.00 C ATOM 713 C GLU A 46 -7.635 4.855 9.399 1.00 0.00 C ATOM 714 O GLU A 46 -7.040 5.849 9.748 1.00 0.00 O ATOM 715 CB GLU A 46 -9.408 3.963 10.957 1.00 0.00 C ATOM 716 CG GLU A 46 -10.766 3.262 11.051 1.00 0.00 C ATOM 717 CD GLU A 46 -11.212 2.960 12.519 1.00 0.00 C ATOM 718 OE1 GLU A 46 -10.272 2.782 13.319 1.00 0.00 O ATOM 719 OE2 GLU A 46 -12.447 2.970 12.758 1.00 0.00 O ATOM 0 H GLU A 46 -9.687 2.933 8.610 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.649 5.658 9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.619 3.226 11.106 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.326 4.685 11.769 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.521 3.884 10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.722 2.327 10.493 1.00 0.00 H new ATOM 726 N LYS A 47 -7.064 3.745 8.831 1.00 0.00 N ATOM 727 CA LYS A 47 -5.629 3.723 8.447 1.00 0.00 C ATOM 728 C LYS A 47 -5.382 4.520 7.164 1.00 0.00 C ATOM 729 O LYS A 47 -4.608 5.483 7.100 1.00 0.00 O ATOM 730 CB LYS A 47 -5.116 2.280 8.285 1.00 0.00 C ATOM 731 CG LYS A 47 -4.226 1.911 9.490 1.00 0.00 C ATOM 732 CD LYS A 47 -4.772 2.467 10.847 1.00 0.00 C ATOM 733 CE LYS A 47 -4.249 1.564 11.976 1.00 0.00 C ATOM 734 NZ LYS A 47 -4.314 2.311 13.265 1.00 0.00 N ATOM 0 H LYS A 47 -7.568 2.880 8.637 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.073 4.197 9.256 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.957 1.590 8.216 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.549 2.186 7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.144 0.826 9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.220 2.297 9.324 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.442 3.495 10.998 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.862 2.479 10.843 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.846 0.654 12.038 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.223 1.259 11.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.962 1.707 14.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.727 3.167 13.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.299 2.581 13.460 1.00 0.00 H new ATOM 748 N GLY A 48 -6.017 4.046 6.067 1.00 0.00 N ATOM 749 CA GLY A 48 -6.232 4.813 4.833 1.00 0.00 C ATOM 750 C GLY A 48 -6.541 6.303 5.048 1.00 0.00 C ATOM 751 O GLY A 48 -5.928 7.182 4.397 1.00 0.00 O ATOM 0 H GLY A 48 -6.399 3.101 6.021 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.343 4.727 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.055 4.361 4.280 1.00 0.00 H new ATOM 755 N GLN A 49 -7.452 6.583 5.986 1.00 0.00 N ATOM 756 CA GLN A 49 -7.749 7.984 6.489 1.00 0.00 C ATOM 757 C GLN A 49 -6.429 8.582 7.040 1.00 0.00 C ATOM 758 O GLN A 49 -6.183 9.790 6.943 1.00 0.00 O ATOM 759 CB GLN A 49 -8.776 7.833 7.592 1.00 0.00 C ATOM 760 CG GLN A 49 -9.507 9.148 7.988 1.00 0.00 C ATOM 761 CD GLN A 49 -9.899 9.111 9.495 1.00 0.00 C ATOM 762 OE1 GLN A 49 -9.062 9.160 10.395 1.00 0.00 O ATOM 763 NE2 GLN A 49 -11.218 9.025 9.774 1.00 0.00 N ATOM 0 H GLN A 49 -8.019 5.864 6.436 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.131 8.644 5.710 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.520 7.101 7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.283 7.428 8.476 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.862 10.005 7.793 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.399 9.276 7.375 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.898 8.985 9.015 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.534 9.000 10.744 1.00 0.00 H new ATOM 772 N ASN A 50 -5.619 7.713 7.697 1.00 0.00 N ATOM 773 CA ASN A 50 -4.334 8.089 8.324 1.00 0.00 C ATOM 774 C ASN A 50 -3.133 7.814 7.407 1.00 0.00 C ATOM 775 O ASN A 50 -1.998 7.700 7.842 1.00 0.00 O ATOM 776 CB ASN A 50 -4.181 7.302 9.661 1.00 0.00 C ATOM 777 CG ASN A 50 -4.382 8.251 10.881 1.00 0.00 C ATOM 778 OD1 ASN A 50 -5.294 9.242 10.695 1.00 0.00 O flip ATOM 779 ND2 ASN A 50 -3.782 8.126 11.942 1.00 0.00 N flip ATOM 0 H ASN A 50 -5.845 6.724 7.805 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.347 9.163 8.511 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.910 6.493 9.699 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.193 6.843 9.709 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.102 7.374 12.058 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.962 8.773 12.709 1.00 0.00 H new ATOM 786 N ALA A 51 -3.466 7.587 6.099 1.00 0.00 N ATOM 787 CA ALA A 51 -2.454 7.374 5.026 1.00 0.00 C ATOM 788 C ALA A 51 -2.162 8.650 4.244 1.00 0.00 C ATOM 789 O ALA A 51 -2.959 9.589 4.203 1.00 0.00 O ATOM 790 CB ALA A 51 -2.950 6.259 4.061 1.00 0.00 C ATOM 0 H ALA A 51 -4.430 7.548 5.767 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.522 7.070 5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.211 6.102 3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.090 5.332 4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.897 6.560 3.613 1.00 0.00 H new ATOM 796 N ASP A 52 -0.966 8.664 3.605 1.00 0.00 N ATOM 797 CA ASP A 52 -0.626 9.429 2.397 1.00 0.00 C ATOM 798 C ASP A 52 -1.132 8.746 1.108 1.00 0.00 C ATOM 799 O ASP A 52 -1.653 9.408 0.205 1.00 0.00 O ATOM 800 CB ASP A 52 0.915 9.628 2.351 1.00 0.00 C ATOM 801 CG ASP A 52 1.657 8.668 1.434 1.00 0.00 C ATOM 802 OD1 ASP A 52 1.785 7.452 1.825 1.00 0.00 O ATOM 803 OD2 ASP A 52 2.139 9.139 0.366 1.00 0.00 O ATOM 0 H ASP A 52 -0.178 8.111 3.942 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.127 10.396 2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.126 10.649 2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.311 9.522 3.361 1.00 0.00 H new ATOM 808 N VAL A 53 -0.813 7.419 0.995 1.00 0.00 N ATOM 809 CA VAL A 53 -1.190 6.555 -0.135 1.00 0.00 C ATOM 810 C VAL A 53 -1.753 5.215 0.342 1.00 0.00 C ATOM 811 O VAL A 53 -1.271 4.570 1.277 1.00 0.00 O ATOM 812 CB VAL A 53 -0.023 6.447 -1.128 1.00 0.00 C ATOM 813 CG1 VAL A 53 -0.151 5.356 -2.192 1.00 0.00 C ATOM 814 CG2 VAL A 53 0.255 7.849 -1.804 1.00 0.00 C ATOM 0 H VAL A 53 -0.276 6.926 1.708 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.013 7.011 -0.685 1.00 0.00 H new ATOM 0 HB VAL A 53 0.827 6.137 -0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.728 5.372 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.228 4.383 -1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.044 5.535 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.085 7.757 -2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.636 8.179 -2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.509 8.579 -1.036 1.00 0.00 H new ATOM 824 N VAL A 54 -2.951 4.859 -0.223 1.00 0.00 N ATOM 825 CA VAL A 54 -3.762 3.736 0.240 1.00 0.00 C ATOM 826 C VAL A 54 -3.679 2.582 -0.785 1.00 0.00 C ATOM 827 O VAL A 54 -4.367 2.618 -1.820 1.00 0.00 O ATOM 828 CB VAL A 54 -5.222 4.180 0.522 1.00 0.00 C ATOM 829 CG1 VAL A 54 -6.248 3.007 0.430 1.00 0.00 C ATOM 830 CG2 VAL A 54 -5.356 4.902 1.882 1.00 0.00 C ATOM 0 H VAL A 54 -3.362 5.358 -1.012 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.368 3.370 1.188 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.466 4.887 -0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.250 3.383 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.221 2.578 -0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.990 2.240 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.394 5.195 2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.044 4.231 2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.724 5.790 1.886 1.00 0.00 H new ATOM 840 N LEU A 55 -2.768 1.639 -0.518 1.00 0.00 N ATOM 841 CA LEU A 55 -2.333 0.569 -1.407 1.00 0.00 C ATOM 842 C LEU A 55 -2.907 -0.772 -0.926 1.00 0.00 C ATOM 843 O LEU A 55 -2.584 -1.270 0.090 1.00 0.00 O ATOM 844 CB LEU A 55 -0.800 0.600 -1.348 1.00 0.00 C ATOM 845 CG LEU A 55 -0.053 -0.538 -2.204 1.00 0.00 C ATOM 846 CD1 LEU A 55 -0.540 -0.576 -3.685 1.00 0.00 C ATOM 847 CD2 LEU A 55 1.472 -0.284 -2.099 1.00 0.00 C ATOM 0 H LEU A 55 -2.289 1.606 0.382 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.681 0.696 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.460 1.575 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.492 0.508 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.293 -1.521 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.007 -1.360 -4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.610 -0.781 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.343 0.386 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.007 -1.042 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.705 0.703 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.778 -0.335 -1.054 1.00 0.00 H new ATOM 859 N LEU A 56 -3.910 -1.274 -1.742 1.00 0.00 N ATOM 860 CA LEU A 56 -4.753 -2.439 -1.490 1.00 0.00 C ATOM 861 C LEU A 56 -4.275 -3.524 -2.539 1.00 0.00 C ATOM 862 O LEU A 56 -3.456 -3.235 -3.385 1.00 0.00 O ATOM 863 CB LEU A 56 -6.181 -2.009 -1.860 1.00 0.00 C ATOM 864 CG LEU A 56 -7.365 -2.874 -1.318 1.00 0.00 C ATOM 865 CD1 LEU A 56 -8.573 -2.082 -0.844 1.00 0.00 C ATOM 866 CD2 LEU A 56 -7.725 -3.972 -2.355 1.00 0.00 C ATOM 0 H LEU A 56 -4.137 -0.829 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.705 -2.812 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.325 -0.987 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.253 -1.986 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.015 -3.352 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.341 -2.768 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.276 -1.416 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.969 -1.493 -1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.551 -4.574 -1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.019 -3.503 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.858 -4.611 -2.524 1.00 0.00 H new ATOM 878 N GLY A 57 -4.795 -4.769 -2.357 1.00 0.00 N ATOM 879 CA GLY A 57 -4.168 -5.970 -2.935 1.00 0.00 C ATOM 880 C GLY A 57 -4.502 -6.156 -4.410 1.00 0.00 C ATOM 881 O GLY A 57 -5.456 -5.529 -4.902 1.00 0.00 O ATOM 0 H GLY A 57 -5.640 -4.957 -1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.086 -5.903 -2.817 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.495 -6.849 -2.379 1.00 0.00 H new ATOM 885 N PRO A 58 -3.707 -7.013 -5.091 1.00 0.00 N ATOM 886 CA PRO A 58 -3.940 -7.485 -6.467 1.00 0.00 C ATOM 887 C PRO A 58 -4.824 -8.764 -6.642 1.00 0.00 C ATOM 888 O PRO A 58 -5.646 -8.917 -7.502 1.00 0.00 O ATOM 889 CB PRO A 58 -2.550 -7.662 -7.057 1.00 0.00 C ATOM 890 CG PRO A 58 -1.739 -8.179 -5.859 1.00 0.00 C ATOM 891 CD PRO A 58 -2.371 -7.458 -4.630 1.00 0.00 C ATOM 0 HA PRO A 58 -4.550 -6.748 -6.989 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.548 -8.372 -7.884 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.151 -6.724 -7.442 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.812 -9.263 -5.766 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.681 -7.939 -5.961 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.452 -8.131 -3.776 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.761 -6.612 -4.312 1.00 0.00 H new ATOM 899 N GLN A 59 -4.655 -9.619 -5.581 1.00 0.00 N ATOM 900 CA GLN A 59 -5.531 -10.772 -5.278 1.00 0.00 C ATOM 901 C GLN A 59 -6.926 -10.264 -4.806 1.00 0.00 C ATOM 902 O GLN A 59 -7.931 -10.980 -4.867 1.00 0.00 O ATOM 903 CB GLN A 59 -4.860 -11.574 -4.165 1.00 0.00 C ATOM 904 CG GLN A 59 -3.367 -11.903 -4.422 1.00 0.00 C ATOM 905 CD GLN A 59 -2.776 -12.764 -3.305 1.00 0.00 C ATOM 906 OE1 GLN A 59 -3.249 -12.550 -2.054 1.00 0.00 O flip ATOM 907 NE2 GLN A 59 -1.929 -13.652 -3.486 1.00 0.00 N flip ATOM 0 H GLN A 59 -3.892 -9.513 -4.912 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.676 -11.393 -6.162 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.941 -11.016 -3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.406 -12.507 -4.026 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.268 -12.424 -5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.800 -10.976 -4.506 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.563 -13.825 -4.422 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.598 -14.209 -2.698 1.00 0.00 H new ATOM 916 N ILE A 60 -6.930 -9.049 -4.241 1.00 0.00 N ATOM 917 CA ILE A 60 -8.093 -8.345 -3.642 1.00 0.00 C ATOM 918 C ILE A 60 -8.276 -6.998 -4.414 1.00 0.00 C ATOM 919 O ILE A 60 -8.550 -5.975 -3.860 1.00 0.00 O ATOM 920 CB ILE A 60 -7.910 -8.126 -2.113 1.00 0.00 C ATOM 921 CG1 ILE A 60 -8.963 -7.205 -1.515 1.00 0.00 C ATOM 922 CG2 ILE A 60 -6.470 -7.720 -1.781 1.00 0.00 C ATOM 923 CD1 ILE A 60 -10.104 -7.853 -0.711 1.00 0.00 C ATOM 0 H ILE A 60 -6.078 -8.492 -4.182 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.993 -8.952 -3.741 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.081 -9.084 -1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.456 -6.493 -0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -9.409 -6.632 -2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.372 -7.574 -0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.787 -8.505 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.226 -6.792 -2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.778 -7.078 -0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -10.656 -8.541 -1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.688 -8.400 0.135 1.00 0.00 H new ATOM 935 N ALA A 61 -8.102 -7.141 -5.742 1.00 0.00 N ATOM 936 CA ALA A 61 -7.892 -6.055 -6.703 1.00 0.00 C ATOM 937 C ALA A 61 -9.226 -5.600 -7.355 1.00 0.00 C ATOM 938 O ALA A 61 -9.250 -5.214 -8.521 1.00 0.00 O ATOM 939 CB ALA A 61 -6.910 -6.499 -7.817 1.00 0.00 C ATOM 0 H ALA A 61 -8.105 -8.058 -6.188 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.470 -5.215 -6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.765 -5.680 -8.522 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.952 -6.768 -7.372 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.321 -7.361 -8.342 1.00 0.00 H new ATOM 945 N TYR A 62 -10.332 -5.692 -6.597 1.00 0.00 N ATOM 946 CA TYR A 62 -11.695 -5.265 -6.944 1.00 0.00 C ATOM 947 C TYR A 62 -12.161 -4.102 -6.063 1.00 0.00 C ATOM 948 O TYR A 62 -12.649 -3.040 -6.505 1.00 0.00 O ATOM 949 CB TYR A 62 -12.666 -6.500 -6.848 1.00 0.00 C ATOM 950 CG TYR A 62 -12.812 -7.049 -5.429 1.00 0.00 C ATOM 951 CD1 TYR A 62 -11.720 -7.713 -4.806 1.00 0.00 C ATOM 952 CD2 TYR A 62 -14.030 -6.860 -4.771 1.00 0.00 C ATOM 953 CE1 TYR A 62 -11.874 -8.140 -3.496 1.00 0.00 C ATOM 954 CE2 TYR A 62 -14.259 -7.566 -3.575 1.00 0.00 C ATOM 955 CZ TYR A 62 -13.183 -8.256 -2.973 1.00 0.00 C ATOM 956 OH TYR A 62 -13.383 -8.997 -1.877 1.00 0.00 O ATOM 0 H TYR A 62 -10.293 -6.095 -5.661 1.00 0.00 H new ATOM 0 HA TYR A 62 -11.702 -4.894 -7.969 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -13.649 -6.210 -7.220 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -12.299 -7.293 -7.500 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.796 -7.880 -5.339 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -14.777 -6.189 -5.170 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -11.014 -8.379 -2.888 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -15.241 -7.580 -3.125 1.00 0.00 H new ATOM 0 HH TYR A 62 -14.333 -8.979 -1.639 1.00 0.00 H new ATOM 966 N MET A 63 -12.059 -4.332 -4.723 1.00 0.00 N ATOM 967 CA MET A 63 -12.661 -3.558 -3.657 1.00 0.00 C ATOM 968 C MET A 63 -12.547 -2.055 -3.785 1.00 0.00 C ATOM 969 O MET A 63 -13.282 -1.266 -3.149 1.00 0.00 O ATOM 970 CB MET A 63 -12.012 -4.043 -2.293 1.00 0.00 C ATOM 971 CG MET A 63 -12.874 -5.222 -1.743 1.00 0.00 C ATOM 972 SD MET A 63 -12.771 -5.356 0.110 1.00 0.00 S ATOM 973 CE MET A 63 -10.983 -5.063 0.279 1.00 0.00 C ATOM 0 H MET A 63 -11.516 -5.116 -4.362 1.00 0.00 H new ATOM 0 HA MET A 63 -13.735 -3.741 -3.704 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.983 -4.365 -2.454 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.981 -3.225 -1.573 1.00 0.00 H new ATOM 0 HG2 MET A 63 -13.913 -5.080 -2.039 1.00 0.00 H new ATOM 0 HG3 MET A 63 -12.539 -6.157 -2.193 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.595 -5.650 1.112 1.00 0.00 H new ATOM 0 HE2 MET A 63 -10.477 -5.359 -0.640 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.804 -4.004 0.466 1.00 0.00 H new ATOM 983 N LEU A 64 -11.549 -1.577 -4.587 1.00 0.00 N ATOM 984 CA LEU A 64 -11.202 -0.187 -4.858 1.00 0.00 C ATOM 985 C LEU A 64 -12.395 0.740 -4.628 1.00 0.00 C ATOM 986 O LEU A 64 -12.220 1.799 -3.949 1.00 0.00 O ATOM 987 CB LEU A 64 -10.757 -0.145 -6.352 1.00 0.00 C ATOM 988 CG LEU A 64 -9.463 0.650 -6.666 1.00 0.00 C ATOM 989 CD1 LEU A 64 -8.270 -0.179 -7.088 1.00 0.00 C ATOM 990 CD2 LEU A 64 -9.783 1.851 -7.574 1.00 0.00 C ATOM 0 H LEU A 64 -10.933 -2.218 -5.088 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.413 0.157 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.620 -1.170 -6.696 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.571 0.282 -6.939 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.102 1.049 -5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.422 0.477 -7.282 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.013 -0.878 -6.292 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.515 -0.734 -7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.866 2.401 -7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.218 1.495 -8.508 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.492 2.509 -7.071 1.00 0.00 H new ATOM 1002 N PRO A 65 -13.567 0.449 -5.196 1.00 0.00 N ATOM 1003 CA PRO A 65 -14.745 1.365 -5.308 1.00 0.00 C ATOM 1004 C PRO A 65 -15.401 1.784 -3.944 1.00 0.00 C ATOM 1005 O PRO A 65 -15.773 2.910 -3.728 1.00 0.00 O ATOM 1006 CB PRO A 65 -15.678 0.772 -6.288 1.00 0.00 C ATOM 1007 CG PRO A 65 -14.865 -0.264 -7.073 1.00 0.00 C ATOM 1008 CD PRO A 65 -13.835 -0.772 -5.985 1.00 0.00 C ATOM 0 HA PRO A 65 -14.405 2.335 -5.672 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.525 0.304 -5.786 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.083 1.535 -6.953 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.491 -1.073 -7.450 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.363 0.179 -7.934 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.255 -1.568 -5.370 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.927 -1.167 -6.440 1.00 0.00 H new ATOM 1016 N GLU A 66 -15.313 0.786 -3.035 1.00 0.00 N ATOM 1017 CA GLU A 66 -15.590 0.938 -1.607 1.00 0.00 C ATOM 1018 C GLU A 66 -14.491 1.623 -0.821 1.00 0.00 C ATOM 1019 O GLU A 66 -14.770 2.183 0.267 1.00 0.00 O ATOM 1020 CB GLU A 66 -16.051 -0.373 -0.968 1.00 0.00 C ATOM 1021 CG GLU A 66 -14.916 -1.081 -0.205 1.00 0.00 C ATOM 1022 CD GLU A 66 -15.204 -2.533 0.205 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -16.065 -3.181 -0.471 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -14.569 -2.954 1.217 1.00 0.00 O ATOM 0 H GLU A 66 -15.041 -0.163 -3.290 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.428 1.633 -1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.875 -0.171 -0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.435 -1.037 -1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.020 -1.067 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.690 -0.506 0.693 1.00 0.00 H new ATOM 1031 N ILE A 67 -13.226 1.484 -1.251 1.00 0.00 N ATOM 1032 CA ILE A 67 -12.067 2.314 -0.869 1.00 0.00 C ATOM 1033 C ILE A 67 -12.422 3.813 -1.060 1.00 0.00 C ATOM 1034 O ILE A 67 -12.477 4.595 -0.135 1.00 0.00 O ATOM 1035 CB ILE A 67 -10.764 1.909 -1.563 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -10.199 0.563 -1.156 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -9.659 3.038 -1.382 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -10.819 -0.165 0.070 1.00 0.00 C ATOM 0 H ILE A 67 -12.968 0.750 -1.911 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.861 2.139 0.187 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.036 1.800 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -10.283 -0.104 -2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.135 0.697 -0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.740 2.732 -1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -10.016 3.970 -1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.462 3.187 -0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.304 -1.112 0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.712 0.460 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.877 -0.353 -0.115 1.00 0.00 H new ATOM 1050 N GLN A 68 -12.606 4.157 -2.373 1.00 0.00 N ATOM 1051 CA GLN A 68 -13.024 5.514 -2.802 1.00 0.00 C ATOM 1052 C GLN A 68 -14.161 6.010 -1.851 1.00 0.00 C ATOM 1053 O GLN A 68 -14.058 7.127 -1.327 1.00 0.00 O ATOM 1054 CB GLN A 68 -13.477 5.474 -4.249 1.00 0.00 C ATOM 1055 CG GLN A 68 -12.378 5.218 -5.281 1.00 0.00 C ATOM 1056 CD GLN A 68 -11.404 6.397 -5.460 1.00 0.00 C ATOM 1057 OE1 GLN A 68 -11.511 7.238 -6.382 1.00 0.00 O ATOM 1058 NE2 GLN A 68 -10.438 6.566 -4.535 1.00 0.00 N ATOM 0 H GLN A 68 -12.469 3.506 -3.146 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.190 6.213 -2.739 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.235 4.697 -4.352 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.959 6.423 -4.486 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.813 4.334 -4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.841 4.992 -6.242 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.335 5.892 -3.776 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.810 7.368 -4.594 1.00 0.00 H new ATOM 1067 N ARG A 69 -15.193 5.182 -1.704 1.00 0.00 N ATOM 1068 CA ARG A 69 -16.473 5.550 -1.031 1.00 0.00 C ATOM 1069 C ARG A 69 -16.253 5.725 0.480 1.00 0.00 C ATOM 1070 O ARG A 69 -17.102 6.295 1.190 1.00 0.00 O ATOM 1071 CB ARG A 69 -17.555 4.510 -1.307 1.00 0.00 C ATOM 1072 CG ARG A 69 -17.945 4.429 -2.792 1.00 0.00 C ATOM 1073 CD ARG A 69 -19.438 4.452 -3.037 1.00 0.00 C ATOM 1074 NE ARG A 69 -20.127 3.649 -2.007 1.00 0.00 N ATOM 1075 CZ ARG A 69 -21.453 3.523 -1.849 1.00 0.00 C ATOM 1076 NH1 ARG A 69 -22.330 4.109 -2.690 1.00 0.00 N ATOM 1077 NH2 ARG A 69 -21.967 2.730 -0.861 1.00 0.00 N ATOM 0 H ARG A 69 -15.181 4.221 -2.047 1.00 0.00 H new ATOM 0 HA ARG A 69 -16.814 6.501 -1.441 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -17.205 3.533 -0.975 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -18.440 4.749 -0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -17.487 5.263 -3.324 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -17.531 3.514 -3.217 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -19.803 5.479 -3.015 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -19.659 4.056 -4.028 1.00 0.00 H new ATOM 0 HE ARG A 69 -19.536 3.139 -1.350 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -21.990 4.667 -3.473 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -23.333 3.994 -2.543 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -21.340 2.226 -0.234 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -22.977 2.642 -0.751 1.00 0.00 H new ATOM 1091 N LEU A 70 -15.154 5.144 0.998 1.00 0.00 N ATOM 1092 CA LEU A 70 -14.606 5.297 2.356 1.00 0.00 C ATOM 1093 C LEU A 70 -13.776 6.593 2.451 1.00 0.00 C ATOM 1094 O LEU A 70 -13.879 7.323 3.427 1.00 0.00 O ATOM 1095 CB LEU A 70 -13.745 4.064 2.620 1.00 0.00 C ATOM 1096 CG LEU A 70 -14.239 2.960 3.574 1.00 0.00 C ATOM 1097 CD1 LEU A 70 -15.763 2.872 3.743 1.00 0.00 C ATOM 1098 CD2 LEU A 70 -13.572 1.613 3.337 1.00 0.00 C ATOM 0 H LEU A 70 -14.586 4.510 0.436 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.397 5.374 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.551 3.594 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.787 4.416 3.002 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.895 3.293 4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -16.006 2.064 4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.140 3.815 4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -16.226 2.674 2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.967 0.882 4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.775 1.280 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.496 1.710 3.479 1.00 0.00 H new ATOM 1110 N LEU A 71 -12.910 6.830 1.425 1.00 0.00 N ATOM 1111 CA LEU A 71 -11.956 7.936 1.312 1.00 0.00 C ATOM 1112 C LEU A 71 -11.978 8.528 -0.115 1.00 0.00 C ATOM 1113 O LEU A 71 -11.090 8.230 -0.918 1.00 0.00 O ATOM 1114 CB LEU A 71 -10.565 7.417 1.661 1.00 0.00 C ATOM 1115 CG LEU A 71 -10.444 6.057 2.405 1.00 0.00 C ATOM 1116 CD1 LEU A 71 -9.661 4.989 1.633 1.00 0.00 C ATOM 1117 CD2 LEU A 71 -9.964 6.240 3.846 1.00 0.00 C ATOM 0 H LEU A 71 -12.869 6.210 0.616 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.232 8.733 2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.998 7.338 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.073 8.174 2.272 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.455 5.654 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.622 4.071 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.156 4.791 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.647 5.344 1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.892 5.267 4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.985 6.718 3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.673 6.865 4.389 1.00 0.00 H new ATOM 1129 N PRO A 72 -13.044 9.283 -0.459 1.00 0.00 N ATOM 1130 CA PRO A 72 -13.331 9.802 -1.800 1.00 0.00 C ATOM 1131 C PRO A 72 -12.421 10.951 -2.359 1.00 0.00 C ATOM 1132 O PRO A 72 -12.893 11.905 -2.961 1.00 0.00 O ATOM 1133 CB PRO A 72 -14.788 10.080 -1.877 1.00 0.00 C ATOM 1134 CG PRO A 72 -15.419 9.467 -0.655 1.00 0.00 C ATOM 1135 CD PRO A 72 -14.265 9.411 0.398 1.00 0.00 C ATOM 0 HA PRO A 72 -13.047 9.018 -2.502 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.974 11.153 -1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -15.214 9.655 -2.786 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.254 10.068 -0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.810 8.472 -0.868 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.235 10.310 1.014 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.375 8.564 1.075 1.00 0.00 H new ATOM 1143 N ASN A 73 -11.110 10.638 -2.295 1.00 0.00 N ATOM 1144 CA ASN A 73 -10.020 11.292 -3.057 1.00 0.00 C ATOM 1145 C ASN A 73 -8.668 10.598 -2.857 1.00 0.00 C ATOM 1146 O ASN A 73 -7.869 10.474 -3.771 1.00 0.00 O ATOM 1147 CB ASN A 73 -9.957 12.785 -2.622 1.00 0.00 C ATOM 1148 CG ASN A 73 -9.270 12.959 -1.241 1.00 0.00 C ATOM 1149 OD1 ASN A 73 -9.728 12.151 -0.267 1.00 0.00 O flip ATOM 1150 ND2 ASN A 73 -8.368 13.766 -1.032 1.00 0.00 N flip ATOM 0 H ASN A 73 -10.766 9.894 -1.688 1.00 0.00 H new ATOM 0 HA ASN A 73 -10.236 11.217 -4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.413 13.359 -3.372 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.967 13.193 -2.579 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.037 14.368 -1.786 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.949 13.834 -0.104 1.00 0.00 H new ATOM 1157 N LYS A 74 -8.377 10.245 -1.567 1.00 0.00 N ATOM 1158 CA LYS A 74 -7.023 9.765 -1.144 1.00 0.00 C ATOM 1159 C LYS A 74 -6.377 8.913 -2.255 1.00 0.00 C ATOM 1160 O LYS A 74 -7.037 8.132 -2.908 1.00 0.00 O ATOM 1161 CB LYS A 74 -7.138 8.964 0.156 1.00 0.00 C ATOM 1162 CG LYS A 74 -7.373 9.890 1.347 1.00 0.00 C ATOM 1163 CD LYS A 74 -6.310 9.836 2.464 1.00 0.00 C ATOM 1164 CE LYS A 74 -6.854 10.604 3.694 1.00 0.00 C ATOM 1165 NZ LYS A 74 -7.485 11.860 3.238 1.00 0.00 N ATOM 0 H LYS A 74 -9.057 10.284 -0.808 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.382 10.629 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.959 8.251 0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.227 8.386 0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.434 10.914 0.979 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.343 9.650 1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.091 8.802 2.729 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.376 10.282 2.121 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.579 9.991 4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.044 10.821 4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.577 12.514 4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.895 12.297 2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.428 11.654 2.850 1.00 0.00 H new ATOM 1179 N PRO A 75 -5.055 9.140 -2.448 1.00 0.00 N ATOM 1180 CA PRO A 75 -4.204 8.468 -3.458 1.00 0.00 C ATOM 1181 C PRO A 75 -3.872 6.957 -3.278 1.00 0.00 C ATOM 1182 O PRO A 75 -2.728 6.563 -3.066 1.00 0.00 O ATOM 1183 CB PRO A 75 -3.057 9.356 -3.748 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.885 10.197 -2.469 1.00 0.00 C ATOM 1185 CD PRO A 75 -4.299 10.278 -1.866 1.00 0.00 C ATOM 0 HA PRO A 75 -4.819 8.344 -4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.157 8.782 -3.969 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.253 9.987 -4.614 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.185 9.728 -1.777 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.493 11.188 -2.696 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.265 10.209 -0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.774 11.228 -2.110 1.00 0.00 H new ATOM 1193 N VAL A 76 -4.934 6.168 -3.538 1.00 0.00 N ATOM 1194 CA VAL A 76 -4.977 4.700 -3.340 1.00 0.00 C ATOM 1195 C VAL A 76 -4.483 3.998 -4.621 1.00 0.00 C ATOM 1196 O VAL A 76 -4.631 4.498 -5.751 1.00 0.00 O ATOM 1197 CB VAL A 76 -6.388 4.255 -2.920 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -7.539 5.065 -3.548 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -6.636 2.733 -3.144 1.00 0.00 C ATOM 0 H VAL A 76 -5.811 6.542 -3.901 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.310 4.411 -2.528 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.403 4.465 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.493 4.677 -3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.444 6.113 -3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.495 4.979 -4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.648 2.479 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.515 2.496 -4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.919 2.157 -2.559 1.00 0.00 H new ATOM 1209 N GLU A 77 -3.839 2.835 -4.462 1.00 0.00 N ATOM 1210 CA GLU A 77 -3.469 1.876 -5.505 1.00 0.00 C ATOM 1211 C GLU A 77 -3.431 0.415 -4.981 1.00 0.00 C ATOM 1212 O GLU A 77 -3.071 0.143 -3.852 1.00 0.00 O ATOM 1213 CB GLU A 77 -2.147 2.247 -6.155 1.00 0.00 C ATOM 1214 CG GLU A 77 -2.254 2.453 -7.668 1.00 0.00 C ATOM 1215 CD GLU A 77 -1.201 1.632 -8.466 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -0.047 2.170 -8.562 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -1.504 0.522 -8.919 1.00 0.00 O ATOM 0 H GLU A 77 -3.544 2.520 -3.538 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.251 1.927 -6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.768 3.161 -5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.418 1.463 -5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.254 2.171 -7.998 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.130 3.512 -7.895 1.00 0.00 H new ATOM 1224 N VAL A 78 -3.964 -0.517 -5.826 1.00 0.00 N ATOM 1225 CA VAL A 78 -3.672 -2.006 -5.661 1.00 0.00 C ATOM 1226 C VAL A 78 -2.184 -2.194 -5.720 1.00 0.00 C ATOM 1227 O VAL A 78 -1.397 -1.299 -6.127 1.00 0.00 O ATOM 1228 CB VAL A 78 -4.478 -2.702 -6.811 1.00 0.00 C ATOM 1229 CG1 VAL A 78 -4.199 -2.066 -8.190 1.00 0.00 C ATOM 1230 CG2 VAL A 78 -4.295 -4.209 -6.841 1.00 0.00 C ATOM 0 H VAL A 78 -4.579 -0.292 -6.608 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.980 -2.444 -4.711 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.529 -2.526 -6.580 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.780 -2.583 -8.953 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.482 -1.014 -8.169 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.138 -2.152 -8.422 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.879 -4.630 -7.659 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.241 -4.445 -6.988 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.634 -4.636 -5.897 1.00 0.00 H new ATOM 1240 N ILE A 79 -1.667 -3.347 -5.230 1.00 0.00 N ATOM 1241 CA ILE A 79 -0.404 -3.963 -5.667 1.00 0.00 C ATOM 1242 C ILE A 79 -0.526 -4.740 -6.947 1.00 0.00 C ATOM 1243 O ILE A 79 -1.632 -5.153 -7.362 1.00 0.00 O ATOM 1244 CB ILE A 79 0.307 -4.654 -4.472 1.00 0.00 C ATOM 1245 CG1 ILE A 79 0.443 -3.637 -3.255 1.00 0.00 C ATOM 1246 CG2 ILE A 79 1.655 -5.274 -4.834 1.00 0.00 C ATOM 1247 CD1 ILE A 79 1.674 -3.834 -2.406 1.00 0.00 C ATOM 0 H ILE A 79 -2.135 -3.884 -4.500 1.00 0.00 H new ATOM 0 HA ILE A 79 0.289 -3.181 -5.976 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.323 -5.492 -4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.447 -2.620 -3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.438 -3.730 -2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.091 -5.738 -3.949 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.512 -6.029 -5.607 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.325 -4.498 -5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.683 -3.098 -1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.665 -4.837 -1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.565 -3.710 -3.022 1.00 0.00 H new ATOM 1259 N ASP A 80 0.600 -4.965 -7.646 1.00 0.00 N ATOM 1260 CA ASP A 80 0.878 -5.971 -8.691 1.00 0.00 C ATOM 1261 C ASP A 80 1.004 -7.379 -7.959 1.00 0.00 C ATOM 1262 O ASP A 80 0.988 -7.442 -6.750 1.00 0.00 O ATOM 1263 CB ASP A 80 2.255 -5.662 -9.324 1.00 0.00 C ATOM 1264 CG ASP A 80 2.247 -4.688 -10.469 1.00 0.00 C ATOM 1265 OD1 ASP A 80 1.203 -3.941 -10.596 1.00 0.00 O ATOM 1266 OD2 ASP A 80 3.250 -4.617 -11.234 1.00 0.00 O ATOM 0 H ASP A 80 1.424 -4.388 -7.477 1.00 0.00 H new ATOM 0 HA ASP A 80 0.096 -5.967 -9.450 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.912 -5.273 -8.546 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.692 -6.598 -9.672 1.00 0.00 H new ATOM 1271 N SER A 81 0.894 -8.419 -8.797 1.00 0.00 N ATOM 1272 CA SER A 81 0.462 -9.787 -8.385 1.00 0.00 C ATOM 1273 C SER A 81 1.634 -10.755 -8.246 1.00 0.00 C ATOM 1274 O SER A 81 1.624 -11.700 -7.438 1.00 0.00 O ATOM 1275 CB SER A 81 -0.592 -10.269 -9.379 1.00 0.00 C ATOM 1276 OG SER A 81 -1.128 -11.570 -9.023 1.00 0.00 O ATOM 0 H SER A 81 1.102 -8.347 -9.793 1.00 0.00 H new ATOM 0 HA SER A 81 0.024 -9.747 -7.388 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.404 -9.544 -9.425 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.153 -10.319 -10.375 1.00 0.00 H new ATOM 0 HG SER A 81 -1.799 -11.839 -9.684 1.00 0.00 H new ATOM 1282 N LEU A 82 2.738 -10.432 -8.973 1.00 0.00 N ATOM 1283 CA LEU A 82 4.072 -11.048 -8.846 1.00 0.00 C ATOM 1284 C LEU A 82 4.957 -10.270 -7.892 1.00 0.00 C ATOM 1285 O LEU A 82 5.710 -10.886 -7.123 1.00 0.00 O ATOM 1286 CB LEU A 82 4.672 -11.016 -10.290 1.00 0.00 C ATOM 1287 CG LEU A 82 4.616 -12.319 -11.089 1.00 0.00 C ATOM 1288 CD1 LEU A 82 3.691 -12.280 -12.323 1.00 0.00 C ATOM 1289 CD2 LEU A 82 5.993 -12.934 -11.364 1.00 0.00 C ATOM 0 H LEU A 82 2.714 -9.706 -9.689 1.00 0.00 H new ATOM 0 HA LEU A 82 4.005 -12.058 -8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.149 -10.246 -10.858 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.715 -10.706 -10.218 1.00 0.00 H new ATOM 0 HG LEU A 82 4.122 -13.020 -10.416 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.715 -13.246 -12.827 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.671 -12.061 -12.006 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.032 -11.505 -13.009 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.873 -13.855 -11.935 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.599 -12.230 -11.935 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.488 -13.155 -10.418 1.00 0.00 H new ATOM 1301 N LEU A 83 4.945 -8.917 -7.953 1.00 0.00 N ATOM 1302 CA LEU A 83 5.761 -8.004 -7.099 1.00 0.00 C ATOM 1303 C LEU A 83 5.283 -8.217 -5.648 1.00 0.00 C ATOM 1304 O LEU A 83 6.038 -8.434 -4.737 1.00 0.00 O ATOM 1305 CB LEU A 83 5.351 -6.577 -7.553 1.00 0.00 C ATOM 1306 CG LEU A 83 5.692 -6.147 -8.986 1.00 0.00 C ATOM 1307 CD1 LEU A 83 5.726 -4.606 -9.177 1.00 0.00 C ATOM 1308 CD2 LEU A 83 6.969 -6.832 -9.521 1.00 0.00 C ATOM 0 H LEU A 83 4.354 -8.412 -8.613 1.00 0.00 H new ATOM 0 HA LEU A 83 6.836 -8.167 -7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.273 -6.484 -7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.816 -5.864 -6.872 1.00 0.00 H new ATOM 0 HG LEU A 83 4.864 -6.502 -9.600 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.973 -4.373 -10.213 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.749 -4.188 -8.934 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.480 -4.174 -8.518 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.165 -6.493 -10.538 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.815 -6.574 -8.883 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.830 -7.913 -9.519 1.00 0.00 H new ATOM 1320 N TYR A 84 3.907 -8.147 -5.485 1.00 0.00 N ATOM 1321 CA TYR A 84 3.179 -8.516 -4.325 1.00 0.00 C ATOM 1322 C TYR A 84 3.715 -9.865 -3.721 1.00 0.00 C ATOM 1323 O TYR A 84 4.448 -9.887 -2.728 1.00 0.00 O ATOM 1324 CB TYR A 84 1.663 -8.633 -4.580 1.00 0.00 C ATOM 1325 CG TYR A 84 0.792 -8.838 -3.357 1.00 0.00 C ATOM 1326 CD1 TYR A 84 0.586 -7.809 -2.421 1.00 0.00 C ATOM 1327 CD2 TYR A 84 0.183 -10.109 -3.175 1.00 0.00 C ATOM 1328 CE1 TYR A 84 0.021 -8.114 -1.163 1.00 0.00 C ATOM 1329 CE2 TYR A 84 -0.312 -10.442 -1.917 1.00 0.00 C ATOM 1330 CZ TYR A 84 -0.432 -9.426 -0.937 1.00 0.00 C ATOM 1331 OH TYR A 84 -0.999 -9.767 0.228 1.00 0.00 O ATOM 0 H TYR A 84 3.298 -7.807 -6.230 1.00 0.00 H new ATOM 0 HA TYR A 84 3.334 -7.710 -3.608 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.331 -7.729 -5.089 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.494 -9.465 -5.264 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.858 -6.792 -2.662 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.106 -10.804 -3.998 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.061 -7.359 -0.395 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.600 -11.458 -1.692 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.404 -10.374 0.716 1.00 0.00 H new ATOM 1341 N GLY A 85 3.245 -10.968 -4.336 1.00 0.00 N ATOM 1342 CA GLY A 85 3.302 -12.338 -3.782 1.00 0.00 C ATOM 1343 C GLY A 85 4.707 -12.970 -3.914 1.00 0.00 C ATOM 1344 O GLY A 85 4.930 -14.095 -3.435 1.00 0.00 O ATOM 0 H GLY A 85 2.804 -10.931 -5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.015 -12.314 -2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.575 -12.966 -4.297 1.00 0.00 H new ATOM 1348 N LYS A 86 5.624 -12.215 -4.553 1.00 0.00 N ATOM 1349 CA LYS A 86 7.076 -12.449 -4.442 1.00 0.00 C ATOM 1350 C LYS A 86 7.774 -11.232 -3.759 1.00 0.00 C ATOM 1351 O LYS A 86 8.976 -11.095 -3.802 1.00 0.00 O ATOM 1352 CB LYS A 86 7.715 -12.809 -5.755 1.00 0.00 C ATOM 1353 CG LYS A 86 8.461 -11.639 -6.422 1.00 0.00 C ATOM 1354 CD LYS A 86 9.173 -11.909 -7.731 1.00 0.00 C ATOM 1355 CE LYS A 86 10.620 -12.359 -7.445 1.00 0.00 C ATOM 1356 NZ LYS A 86 11.209 -12.990 -8.643 1.00 0.00 N ATOM 0 H LYS A 86 5.379 -11.430 -5.157 1.00 0.00 H new ATOM 0 HA LYS A 86 7.216 -13.322 -3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.414 -13.630 -5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.945 -13.173 -6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.743 -10.837 -6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.197 -11.263 -5.712 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.645 -12.680 -8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 86 9.175 -11.011 -8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.222 -11.501 -7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.631 -13.063 -6.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.183 -13.288 -8.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.643 -13.820 -8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.216 -12.307 -9.427 1.00 0.00 H new ATOM 1370 N VAL A 87 6.901 -10.365 -3.182 1.00 0.00 N ATOM 1371 CA VAL A 87 7.320 -9.374 -2.131 1.00 0.00 C ATOM 1372 C VAL A 87 8.608 -8.677 -2.553 1.00 0.00 C ATOM 1373 O VAL A 87 9.687 -8.957 -2.005 1.00 0.00 O ATOM 1374 CB VAL A 87 7.332 -10.121 -0.801 1.00 0.00 C ATOM 1375 CG1 VAL A 87 8.242 -9.581 0.301 1.00 0.00 C ATOM 1376 CG2 VAL A 87 5.983 -10.605 -0.299 1.00 0.00 C ATOM 0 H VAL A 87 5.909 -10.325 -3.418 1.00 0.00 H new ATOM 0 HA VAL A 87 6.628 -8.541 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 87 7.851 -11.027 -1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.150 -10.208 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.276 -9.590 -0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.950 -8.560 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.113 -11.121 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.319 -9.752 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.548 -11.290 -1.027 1.00 0.00 H new ATOM 1386 N ASP A 88 8.515 -7.803 -3.586 1.00 0.00 N ATOM 1387 CA ASP A 88 9.547 -6.921 -4.148 1.00 0.00 C ATOM 1388 C ASP A 88 9.261 -5.449 -3.842 1.00 0.00 C ATOM 1389 O ASP A 88 8.795 -4.699 -4.699 1.00 0.00 O ATOM 1390 CB ASP A 88 9.514 -7.093 -5.718 1.00 0.00 C ATOM 1391 CG ASP A 88 10.403 -8.249 -6.195 1.00 0.00 C ATOM 1392 OD1 ASP A 88 11.270 -8.684 -5.373 1.00 0.00 O ATOM 1393 OD2 ASP A 88 10.232 -8.706 -7.368 1.00 0.00 O ATOM 0 H ASP A 88 7.633 -7.694 -4.086 1.00 0.00 H new ATOM 0 HA ASP A 88 10.510 -7.188 -3.713 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.488 -7.269 -6.041 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.842 -6.167 -6.190 1.00 0.00 H new ATOM 1398 N GLY A 89 9.335 -5.116 -2.521 1.00 0.00 N ATOM 1399 CA GLY A 89 9.301 -3.773 -1.979 1.00 0.00 C ATOM 1400 C GLY A 89 9.487 -2.628 -2.928 1.00 0.00 C ATOM 1401 O GLY A 89 8.542 -1.833 -3.159 1.00 0.00 O ATOM 0 H GLY A 89 9.423 -5.825 -1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.343 -3.639 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.074 -3.702 -1.214 1.00 0.00 H new ATOM 1405 N LEU A 90 10.711 -2.493 -3.514 1.00 0.00 N ATOM 1406 CA LEU A 90 11.214 -1.345 -4.283 1.00 0.00 C ATOM 1407 C LEU A 90 10.174 -0.977 -5.368 1.00 0.00 C ATOM 1408 O LEU A 90 9.538 0.065 -5.262 1.00 0.00 O ATOM 1409 CB LEU A 90 12.526 -1.793 -4.946 1.00 0.00 C ATOM 1410 CG LEU A 90 13.448 -0.710 -5.570 1.00 0.00 C ATOM 1411 CD1 LEU A 90 14.496 -0.179 -4.591 1.00 0.00 C ATOM 1412 CD2 LEU A 90 14.016 -1.153 -6.923 1.00 0.00 C ATOM 0 H LEU A 90 11.407 -3.236 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 90 11.381 -0.475 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 90 13.108 -2.333 -4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.274 -2.506 -5.731 1.00 0.00 H new ATOM 0 HG LEU A 90 12.822 0.156 -5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 90 15.108 0.574 -5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 90 13.997 0.268 -3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 90 15.130 -1.000 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 90 14.655 -0.367 -7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 90 14.600 -2.064 -6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 90 13.197 -1.344 -7.616 1.00 0.00 H new ATOM 1424 N GLY A 91 10.016 -1.824 -6.396 1.00 0.00 N ATOM 1425 CA GLY A 91 8.842 -1.819 -7.332 1.00 0.00 C ATOM 1426 C GLY A 91 7.618 -1.145 -6.668 1.00 0.00 C ATOM 1427 O GLY A 91 6.905 -0.385 -7.308 1.00 0.00 O ATOM 0 H GLY A 91 10.700 -2.548 -6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.103 -1.289 -8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.592 -2.841 -7.615 1.00 0.00 H new ATOM 1431 N VAL A 92 7.405 -1.502 -5.355 1.00 0.00 N ATOM 1432 CA VAL A 92 6.200 -1.175 -4.593 1.00 0.00 C ATOM 1433 C VAL A 92 6.281 0.168 -3.908 1.00 0.00 C ATOM 1434 O VAL A 92 5.215 0.777 -3.548 1.00 0.00 O ATOM 1435 CB VAL A 92 5.860 -2.367 -3.614 1.00 0.00 C ATOM 1436 CG1 VAL A 92 4.402 -2.156 -3.048 1.00 0.00 C ATOM 1437 CG2 VAL A 92 5.972 -3.724 -4.314 1.00 0.00 C ATOM 0 H VAL A 92 8.089 -2.031 -4.813 1.00 0.00 H new ATOM 0 HA VAL A 92 5.367 -1.064 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 92 6.582 -2.369 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.153 -2.972 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.354 -1.210 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.690 -2.140 -3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.731 -4.519 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.276 -3.760 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.989 -3.861 -4.681 1.00 0.00 H new ATOM 1447 N LEU A 93 7.491 0.643 -3.556 1.00 0.00 N ATOM 1448 CA LEU A 93 7.836 1.979 -3.044 1.00 0.00 C ATOM 1449 C LEU A 93 7.758 2.980 -4.245 1.00 0.00 C ATOM 1450 O LEU A 93 7.212 4.073 -4.090 1.00 0.00 O ATOM 1451 CB LEU A 93 9.308 1.879 -2.565 1.00 0.00 C ATOM 1452 CG LEU A 93 9.873 3.051 -1.733 1.00 0.00 C ATOM 1453 CD1 LEU A 93 8.931 4.211 -1.468 1.00 0.00 C ATOM 1454 CD2 LEU A 93 10.614 2.562 -0.467 1.00 0.00 C ATOM 0 H LEU A 93 8.319 0.052 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 93 7.175 2.310 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.407 0.969 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 93 9.940 1.757 -3.445 1.00 0.00 H new ATOM 0 HG LEU A 93 10.612 3.503 -2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.444 4.968 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.613 4.646 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.058 3.853 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.994 3.421 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.925 2.000 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.446 1.920 -0.757 1.00 0.00 H new ATOM 1466 N LYS A 94 8.370 2.618 -5.385 1.00 0.00 N ATOM 1467 CA LYS A 94 8.308 3.435 -6.619 1.00 0.00 C ATOM 1468 C LYS A 94 6.860 3.684 -7.079 1.00 0.00 C ATOM 1469 O LYS A 94 6.486 4.784 -7.491 1.00 0.00 O ATOM 1470 CB LYS A 94 9.167 2.852 -7.718 1.00 0.00 C ATOM 1471 CG LYS A 94 10.674 3.026 -7.427 1.00 0.00 C ATOM 1472 CD LYS A 94 11.047 4.411 -6.878 1.00 0.00 C ATOM 1473 CE LYS A 94 12.520 4.699 -6.966 1.00 0.00 C ATOM 1474 NZ LYS A 94 13.254 3.689 -7.769 1.00 0.00 N ATOM 0 H LYS A 94 8.917 1.762 -5.482 1.00 0.00 H new ATOM 0 HA LYS A 94 8.725 4.413 -6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.940 1.792 -7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.922 3.334 -8.664 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.986 2.266 -6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.234 2.847 -8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.499 5.175 -7.430 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.730 4.481 -5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.668 5.685 -7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.940 4.733 -5.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.264 3.935 -7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.138 2.751 -7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.874 3.673 -8.737 1.00 0.00 H new ATOM 1488 N ALA A 95 6.067 2.592 -7.038 1.00 0.00 N ATOM 1489 CA ALA A 95 4.631 2.579 -7.339 1.00 0.00 C ATOM 1490 C ALA A 95 3.877 3.703 -6.586 1.00 0.00 C ATOM 1491 O ALA A 95 3.313 4.605 -7.178 1.00 0.00 O ATOM 1492 CB ALA A 95 4.024 1.217 -6.908 1.00 0.00 C ATOM 0 H ALA A 95 6.425 1.671 -6.786 1.00 0.00 H new ATOM 0 HA ALA A 95 4.519 2.737 -8.412 1.00 0.00 H new ATOM 0 HB1 ALA A 95 2.957 1.207 -7.131 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.516 0.411 -7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.172 1.075 -5.837 1.00 0.00 H new ATOM 1498 N ALA A 96 3.825 3.548 -5.248 1.00 0.00 N ATOM 1499 CA ALA A 96 3.196 4.471 -4.300 1.00 0.00 C ATOM 1500 C ALA A 96 3.435 5.937 -4.691 1.00 0.00 C ATOM 1501 O ALA A 96 2.489 6.724 -4.846 1.00 0.00 O ATOM 1502 CB ALA A 96 3.706 4.211 -2.865 1.00 0.00 C ATOM 0 H ALA A 96 4.240 2.739 -4.785 1.00 0.00 H new ATOM 0 HA ALA A 96 2.122 4.288 -4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.226 4.907 -2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.466 3.189 -2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.786 4.354 -2.831 1.00 0.00 H new ATOM 1508 N VAL A 97 4.726 6.296 -4.833 1.00 0.00 N ATOM 1509 CA VAL A 97 5.176 7.673 -5.222 1.00 0.00 C ATOM 1510 C VAL A 97 4.403 8.118 -6.472 1.00 0.00 C ATOM 1511 O VAL A 97 4.040 9.291 -6.636 1.00 0.00 O ATOM 1512 CB VAL A 97 6.701 7.646 -5.373 1.00 0.00 C ATOM 1513 CG1 VAL A 97 7.310 8.722 -6.273 1.00 0.00 C ATOM 1514 CG2 VAL A 97 7.462 7.488 -4.058 1.00 0.00 C ATOM 0 H VAL A 97 5.498 5.647 -4.684 1.00 0.00 H new ATOM 0 HA VAL A 97 4.953 8.423 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 97 6.849 6.720 -5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.393 8.602 -6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.907 8.624 -7.281 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.065 9.708 -5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.534 7.479 -4.257 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.223 8.321 -3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.173 6.552 -3.581 1.00 0.00 H new ATOM 1524 N ALA A 98 4.231 7.163 -7.438 1.00 0.00 N ATOM 1525 CA ALA A 98 3.518 7.411 -8.708 1.00 0.00 C ATOM 1526 C ALA A 98 2.045 7.714 -8.466 1.00 0.00 C ATOM 1527 O ALA A 98 1.412 8.509 -9.172 1.00 0.00 O ATOM 1528 CB ALA A 98 3.663 6.179 -9.633 1.00 0.00 C ATOM 0 H ALA A 98 4.584 6.210 -7.348 1.00 0.00 H new ATOM 0 HA ALA A 98 3.963 8.283 -9.187 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.137 6.363 -10.570 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.718 6.001 -9.839 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.236 5.304 -9.143 1.00 0.00 H new ATOM 1534 N ALA A 99 1.458 7.017 -7.458 1.00 0.00 N ATOM 1535 CA ALA A 99 0.107 7.251 -6.925 1.00 0.00 C ATOM 1536 C ALA A 99 -0.155 8.763 -6.715 1.00 0.00 C ATOM 1537 O ALA A 99 -1.078 9.334 -7.279 1.00 0.00 O ATOM 1538 CB ALA A 99 -0.063 6.532 -5.558 1.00 0.00 C ATOM 0 H ALA A 99 1.937 6.252 -6.983 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.604 6.857 -7.651 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.067 6.713 -5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.088 5.460 -5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.671 6.918 -4.850 1.00 0.00 H new ATOM 1544 N ILE A 100 0.653 9.372 -5.832 1.00 0.00 N ATOM 1545 CA ILE A 100 0.617 10.832 -5.486 1.00 0.00 C ATOM 1546 C ILE A 100 0.497 11.666 -6.778 1.00 0.00 C ATOM 1547 O ILE A 100 -0.515 12.249 -7.087 1.00 0.00 O ATOM 1548 CB ILE A 100 1.884 11.195 -4.645 1.00 0.00 C ATOM 1549 CG1 ILE A 100 1.534 11.168 -3.144 1.00 0.00 C ATOM 1550 CG2 ILE A 100 2.551 12.509 -5.071 1.00 0.00 C ATOM 1551 CD1 ILE A 100 0.921 12.472 -2.573 1.00 0.00 C ATOM 0 H ILE A 100 1.373 8.864 -5.318 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.255 11.063 -4.875 1.00 0.00 H new ATOM 0 HB ILE A 100 2.639 10.434 -4.843 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.834 10.352 -2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.440 10.938 -2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.422 12.695 -4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.863 12.438 -6.113 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.842 13.330 -4.960 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.714 12.342 -1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.624 13.294 -2.708 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.007 12.698 -3.099 1.00 0.00 H new ATOM 1563 N LYS A 101 1.630 11.671 -7.535 1.00 0.00 N ATOM 1564 CA LYS A 101 1.848 12.538 -8.686 1.00 0.00 C ATOM 1565 C LYS A 101 0.598 12.655 -9.583 1.00 0.00 C ATOM 1566 O LYS A 101 0.292 13.742 -10.092 1.00 0.00 O ATOM 1567 CB LYS A 101 3.063 12.095 -9.527 1.00 0.00 C ATOM 1568 CG LYS A 101 4.349 12.156 -8.742 1.00 0.00 C ATOM 1569 CD LYS A 101 5.515 12.950 -9.403 1.00 0.00 C ATOM 1570 CE LYS A 101 5.907 12.233 -10.694 1.00 0.00 C ATOM 1571 NZ LYS A 101 6.079 13.202 -11.785 1.00 0.00 N ATOM 0 H LYS A 101 2.420 11.055 -7.343 1.00 0.00 H new ATOM 0 HA LYS A 101 2.059 13.525 -8.274 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.905 11.077 -9.884 1.00 0.00 H new ATOM 0 HB3 LYS A 101 3.146 12.732 -10.407 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.137 12.602 -7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.688 11.137 -8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.206 13.974 -9.615 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.367 13.008 -8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.833 11.678 -10.543 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.140 11.507 -10.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.345 12.700 -12.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.187 13.713 -11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.827 13.879 -11.533 1.00 0.00 H new