USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 667 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 Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 12:sc= 0.793! USER MOD Single : A 27 LYS NZ :NH3+ -119:sc= -1.21 (180deg=-4.14!) USER MOD Single : A 36 LYS NZ :NH3+ -153:sc= -0.0465 (180deg=-0.475) USER MOD Single : A 38 THR OG1 : rot -150:sc= -0.666 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc=-0.00493 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.0953 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0214 X(o=-0.021,f=-0.51) USER MOD Single : A 56 SER OG : rot 2:sc= 0.0383 USER MOD Single : A 57 LYS NZ :NH3+ 131:sc= 1.02 (180deg=-1.93!) USER MOD Single : A 60 LYS NZ :NH3+ -134:sc= -6.46 (180deg=-15.9!) USER MOD Single : A 68 THR OG1 : rot 32:sc= 0.21 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0232 USER MOD Single : A 75 TYR OH : rot 117:sc= 1.23 USER MOD Single : A 82 THR OG1 : rot -74:sc= 1.01 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 7 -10.227 1.060 -8.445 1.00 0.00 N ATOM 84 CA ALA A 7 -9.118 0.066 -8.358 1.00 0.00 C ATOM 85 C ALA A 7 -9.001 -0.486 -6.932 1.00 0.00 C ATOM 86 O ALA A 7 -9.451 -1.579 -6.646 1.00 0.00 O ATOM 87 CB ALA A 7 -7.801 0.738 -8.766 1.00 0.00 C ATOM 0 HA ALA A 7 -9.331 -0.763 -9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.989 0.014 -8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.882 1.105 -9.789 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.596 1.573 -8.096 1.00 0.00 H new ATOM 93 N LEU A 8 -8.408 0.260 -6.038 1.00 0.00 N ATOM 94 CA LEU A 8 -8.268 -0.217 -4.630 1.00 0.00 C ATOM 95 C LEU A 8 -8.637 0.918 -3.671 1.00 0.00 C ATOM 96 O LEU A 8 -8.545 0.773 -2.467 1.00 0.00 O ATOM 97 CB LEU A 8 -6.824 -0.669 -4.373 1.00 0.00 C ATOM 98 CG LEU A 8 -5.835 0.366 -4.927 1.00 0.00 C ATOM 99 CD1 LEU A 8 -5.787 1.588 -4.004 1.00 0.00 C ATOM 100 CD2 LEU A 8 -4.441 -0.261 -5.006 1.00 0.00 C ATOM 0 H LEU A 8 -8.013 1.182 -6.222 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.936 -1.062 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.662 -0.801 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.650 -1.637 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.159 0.678 -5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.083 2.318 -4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.779 2.036 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.465 1.280 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.735 0.470 -5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.125 -0.572 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.469 -1.129 -5.665 1.00 0.00 H new ATOM 112 N LYS A 9 -9.032 2.054 -4.198 1.00 0.00 N ATOM 113 CA LYS A 9 -9.391 3.214 -3.326 1.00 0.00 C ATOM 114 C LYS A 9 -10.400 2.781 -2.251 1.00 0.00 C ATOM 115 O LYS A 9 -10.835 1.645 -2.212 1.00 0.00 O ATOM 116 CB LYS A 9 -10.000 4.334 -4.180 1.00 0.00 C ATOM 117 CG LYS A 9 -11.309 3.855 -4.820 1.00 0.00 C ATOM 118 CD LYS A 9 -12.497 4.543 -4.140 1.00 0.00 C ATOM 119 CE LYS A 9 -13.806 3.941 -4.658 1.00 0.00 C ATOM 120 NZ LYS A 9 -14.933 4.395 -3.797 1.00 0.00 N ATOM 0 H LYS A 9 -9.121 2.226 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.487 3.578 -2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.188 5.212 -3.562 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.296 4.635 -4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.308 4.080 -5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.398 2.773 -4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.431 4.420 -3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.473 5.614 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.976 4.247 -5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.746 2.853 -4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.823 3.987 -4.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.770 4.082 -2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.994 5.433 -3.823 1.00 0.00 H new ATOM 134 N GLY A 10 -10.782 3.681 -1.382 1.00 0.00 N ATOM 135 CA GLY A 10 -11.762 3.325 -0.314 1.00 0.00 C ATOM 136 C GLY A 10 -11.065 2.499 0.772 1.00 0.00 C ATOM 137 O GLY A 10 -11.547 2.387 1.883 1.00 0.00 O ATOM 0 H GLY A 10 -10.457 4.648 -1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.186 4.230 0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.590 2.758 -0.741 1.00 0.00 H new ATOM 141 N LEU A 11 -9.933 1.920 0.458 1.00 0.00 N ATOM 142 CA LEU A 11 -9.199 1.101 1.465 1.00 0.00 C ATOM 143 C LEU A 11 -8.119 1.954 2.127 1.00 0.00 C ATOM 144 O LEU A 11 -7.738 2.997 1.629 1.00 0.00 O ATOM 145 CB LEU A 11 -8.545 -0.104 0.776 1.00 0.00 C ATOM 146 CG LEU A 11 -9.616 -1.142 0.419 1.00 0.00 C ATOM 147 CD1 LEU A 11 -9.169 -1.941 -0.809 1.00 0.00 C ATOM 148 CD2 LEU A 11 -9.815 -2.097 1.601 1.00 0.00 C ATOM 0 H LEU A 11 -9.486 1.981 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.901 0.748 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.024 0.219 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.798 -0.550 1.433 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.554 -0.632 0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.932 -2.678 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.026 -1.264 -1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.231 -2.450 -0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.576 -2.835 1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.876 -2.605 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.135 -1.531 2.476 1.00 0.00 H new ATOM 160 N THR A 12 -7.625 1.507 3.251 1.00 0.00 N ATOM 161 CA THR A 12 -6.567 2.265 3.970 1.00 0.00 C ATOM 162 C THR A 12 -5.303 1.406 4.029 1.00 0.00 C ATOM 163 O THR A 12 -5.343 0.259 4.430 1.00 0.00 O ATOM 164 CB THR A 12 -7.051 2.581 5.390 1.00 0.00 C ATOM 165 OG1 THR A 12 -8.058 3.583 5.329 1.00 0.00 O ATOM 166 CG2 THR A 12 -5.882 3.081 6.243 1.00 0.00 C ATOM 0 H THR A 12 -7.914 0.640 3.704 1.00 0.00 H new ATOM 0 HA THR A 12 -6.350 3.199 3.451 1.00 0.00 H new ATOM 0 HB THR A 12 -7.458 1.676 5.842 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.372 3.787 6.235 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.235 3.303 7.250 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.111 2.312 6.290 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.466 3.985 5.797 1.00 0.00 H new ATOM 174 N PHE A 13 -4.184 1.954 3.637 1.00 0.00 N ATOM 175 CA PHE A 13 -2.915 1.174 3.672 1.00 0.00 C ATOM 176 C PHE A 13 -1.953 1.840 4.660 1.00 0.00 C ATOM 177 O PHE A 13 -1.702 3.029 4.591 1.00 0.00 O ATOM 178 CB PHE A 13 -2.292 1.142 2.272 1.00 0.00 C ATOM 179 CG PHE A 13 -3.041 0.155 1.394 1.00 0.00 C ATOM 180 CD1 PHE A 13 -3.287 -1.152 1.844 1.00 0.00 C ATOM 181 CD2 PHE A 13 -3.482 0.546 0.122 1.00 0.00 C ATOM 182 CE1 PHE A 13 -3.970 -2.061 1.025 1.00 0.00 C ATOM 183 CE2 PHE A 13 -4.167 -0.364 -0.694 1.00 0.00 C ATOM 184 CZ PHE A 13 -4.411 -1.667 -0.243 1.00 0.00 C ATOM 0 H PHE A 13 -4.095 2.910 3.293 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.115 0.151 3.990 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.326 2.136 1.827 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.242 0.858 2.339 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.949 -1.457 2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.294 1.550 -0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.156 -3.066 1.373 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.507 -0.060 -1.673 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.939 -2.367 -0.873 1.00 0.00 H new ATOM 194 N VAL A 14 -1.430 1.083 5.589 1.00 0.00 N ATOM 195 CA VAL A 14 -0.498 1.661 6.603 1.00 0.00 C ATOM 196 C VAL A 14 0.913 1.121 6.381 1.00 0.00 C ATOM 197 O VAL A 14 1.111 -0.010 5.984 1.00 0.00 O ATOM 198 CB VAL A 14 -0.973 1.275 8.012 1.00 0.00 C ATOM 199 CG1 VAL A 14 -0.152 2.021 9.064 1.00 0.00 C ATOM 200 CG2 VAL A 14 -2.453 1.638 8.182 1.00 0.00 C ATOM 0 H VAL A 14 -1.609 0.084 5.690 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.488 2.746 6.501 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.842 0.201 8.142 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.496 1.741 10.060 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.901 1.759 8.957 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.275 3.095 8.927 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.783 1.361 9.183 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.583 2.711 8.041 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.047 1.100 7.443 1.00 0.00 H new ATOM 210 N ILE A 15 1.895 1.935 6.636 1.00 0.00 N ATOM 211 CA ILE A 15 3.308 1.510 6.455 1.00 0.00 C ATOM 212 C ILE A 15 4.004 1.579 7.810 1.00 0.00 C ATOM 213 O ILE A 15 3.926 2.577 8.498 1.00 0.00 O ATOM 214 CB ILE A 15 3.989 2.454 5.466 1.00 0.00 C ATOM 215 CG1 ILE A 15 3.317 3.834 5.531 1.00 0.00 C ATOM 216 CG2 ILE A 15 3.851 1.880 4.057 1.00 0.00 C ATOM 217 CD1 ILE A 15 4.069 4.824 4.640 1.00 0.00 C ATOM 0 H ILE A 15 1.777 2.892 6.968 1.00 0.00 H new ATOM 0 HA ILE A 15 3.360 0.493 6.066 1.00 0.00 H new ATOM 0 HB ILE A 15 5.044 2.558 5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.279 3.758 5.208 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.305 4.194 6.560 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.334 2.547 3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.325 0.899 4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.795 1.783 3.805 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.586 5.800 4.692 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.100 4.911 4.982 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.057 4.468 3.610 1.00 0.00 H new ATOM 229 N THR A 16 4.650 0.521 8.227 1.00 0.00 N ATOM 230 CA THR A 16 5.300 0.528 9.562 1.00 0.00 C ATOM 231 C THR A 16 6.497 1.470 9.576 1.00 0.00 C ATOM 232 O THR A 16 7.580 1.098 9.166 1.00 0.00 O ATOM 233 CB THR A 16 5.777 -0.888 9.868 1.00 0.00 C ATOM 234 OG1 THR A 16 4.679 -1.678 10.303 1.00 0.00 O ATOM 235 CG2 THR A 16 6.856 -0.851 10.951 1.00 0.00 C ATOM 0 H THR A 16 4.753 -0.345 7.698 1.00 0.00 H new ATOM 0 HA THR A 16 4.584 0.869 10.309 1.00 0.00 H new ATOM 0 HB THR A 16 6.199 -1.328 8.965 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.987 -2.588 10.497 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.192 -1.866 11.165 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.700 -0.255 10.604 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.446 -0.406 11.858 1.00 0.00 H new ATOM 243 N GLY A 17 6.315 2.673 10.065 1.00 0.00 N ATOM 244 CA GLY A 17 7.446 3.645 10.126 1.00 0.00 C ATOM 245 C GLY A 17 8.378 3.413 8.941 1.00 0.00 C ATOM 246 O GLY A 17 9.583 3.492 9.064 1.00 0.00 O ATOM 0 H GLY A 17 5.427 3.023 10.425 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.064 4.666 10.108 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.993 3.526 11.061 1.00 0.00 H new ATOM 250 N GLU A 18 7.810 3.111 7.797 1.00 0.00 N ATOM 251 CA GLU A 18 8.607 2.852 6.564 1.00 0.00 C ATOM 252 C GLU A 18 9.083 1.402 6.542 1.00 0.00 C ATOM 253 O GLU A 18 9.898 0.986 7.343 1.00 0.00 O ATOM 254 CB GLU A 18 9.815 3.801 6.462 1.00 0.00 C ATOM 255 CG GLU A 18 9.375 5.243 6.745 1.00 0.00 C ATOM 256 CD GLU A 18 10.193 6.210 5.882 1.00 0.00 C ATOM 257 OE1 GLU A 18 11.398 6.266 6.069 1.00 0.00 O ATOM 258 OE2 GLU A 18 9.601 6.878 5.051 1.00 0.00 O ATOM 0 H GLU A 18 6.801 3.032 7.668 1.00 0.00 H new ATOM 0 HA GLU A 18 7.961 3.036 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.585 3.501 7.173 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.257 3.735 5.468 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.313 5.358 6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.514 5.476 7.801 1.00 0.00 H new ATOM 265 N LEU A 19 8.579 0.634 5.610 1.00 0.00 N ATOM 266 CA LEU A 19 8.992 -0.794 5.497 1.00 0.00 C ATOM 267 C LEU A 19 10.387 -0.845 4.861 1.00 0.00 C ATOM 268 O LEU A 19 11.081 0.151 4.788 1.00 0.00 O ATOM 269 CB LEU A 19 8.016 -1.557 4.587 1.00 0.00 C ATOM 270 CG LEU A 19 6.622 -0.917 4.636 1.00 0.00 C ATOM 271 CD1 LEU A 19 6.531 0.199 3.589 1.00 0.00 C ATOM 272 CD2 LEU A 19 5.562 -1.978 4.333 1.00 0.00 C ATOM 0 H LEU A 19 7.894 0.939 4.918 1.00 0.00 H new ATOM 0 HA LEU A 19 8.995 -1.250 6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.388 -1.555 3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.955 -2.599 4.902 1.00 0.00 H new ATOM 0 HG LEU A 19 6.452 -0.501 5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.540 0.652 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.285 0.958 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.703 -0.218 2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.572 -1.523 4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.736 -2.393 3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.622 -2.774 5.075 1.00 0.00 H new ATOM 284 N SER A 20 10.788 -1.988 4.367 1.00 0.00 N ATOM 285 CA SER A 20 12.121 -2.088 3.697 1.00 0.00 C ATOM 286 C SER A 20 11.958 -1.676 2.225 1.00 0.00 C ATOM 287 O SER A 20 12.897 -1.693 1.452 1.00 0.00 O ATOM 288 CB SER A 20 12.633 -3.532 3.783 1.00 0.00 C ATOM 289 OG SER A 20 13.525 -3.790 2.707 1.00 0.00 O ATOM 0 H SER A 20 10.252 -2.855 4.398 1.00 0.00 H new ATOM 0 HA SER A 20 12.840 -1.432 4.188 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.140 -3.692 4.734 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.795 -4.228 3.748 1.00 0.00 H new ATOM 0 HG SER A 20 13.766 -2.946 2.272 1.00 0.00 H new ATOM 295 N ARG A 21 10.763 -1.299 1.844 1.00 0.00 N ATOM 296 CA ARG A 21 10.503 -0.878 0.433 1.00 0.00 C ATOM 297 C ARG A 21 10.491 0.655 0.355 1.00 0.00 C ATOM 298 O ARG A 21 10.524 1.329 1.367 1.00 0.00 O ATOM 299 CB ARG A 21 9.137 -1.429 -0.001 1.00 0.00 C ATOM 300 CG ARG A 21 9.332 -2.600 -0.971 1.00 0.00 C ATOM 301 CD ARG A 21 10.044 -3.753 -0.256 1.00 0.00 C ATOM 302 NE ARG A 21 11.478 -3.785 -0.665 1.00 0.00 N ATOM 303 CZ ARG A 21 11.837 -4.408 -1.757 1.00 0.00 C ATOM 304 NH1 ARG A 21 10.954 -4.677 -2.679 1.00 0.00 N ATOM 305 NH2 ARG A 21 13.082 -4.760 -1.926 1.00 0.00 N ATOM 0 H ARG A 21 9.948 -1.265 2.457 1.00 0.00 H new ATOM 0 HA ARG A 21 11.282 -1.264 -0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.574 -1.758 0.872 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.553 -0.643 -0.479 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.366 -2.935 -1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.917 -2.277 -1.832 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.966 -3.628 0.824 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.564 -4.700 -0.503 1.00 0.00 H new ATOM 0 HE ARG A 21 12.181 -3.319 -0.091 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.981 -4.401 -2.549 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.237 -5.163 -3.530 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.774 -4.549 -1.207 1.00 0.00 H new ATOM 0 HH22 ARG A 21 13.363 -5.246 -2.777 1.00 0.00 H new ATOM 319 N PRO A 22 10.442 1.206 -0.838 1.00 0.00 N ATOM 320 CA PRO A 22 10.421 2.687 -1.041 1.00 0.00 C ATOM 321 C PRO A 22 9.082 3.309 -0.616 1.00 0.00 C ATOM 322 O PRO A 22 8.430 3.994 -1.379 1.00 0.00 O ATOM 323 CB PRO A 22 10.658 2.855 -2.545 1.00 0.00 C ATOM 324 CG PRO A 22 10.192 1.581 -3.166 1.00 0.00 C ATOM 325 CD PRO A 22 10.403 0.481 -2.123 1.00 0.00 C ATOM 0 HA PRO A 22 11.170 3.195 -0.434 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.104 3.708 -2.937 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.712 3.034 -2.759 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.142 1.650 -3.449 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.753 1.365 -4.075 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.594 -0.249 -2.144 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.330 -0.065 -2.301 1.00 0.00 H new ATOM 333 N ARG A 23 8.663 3.018 0.591 1.00 0.00 N ATOM 334 CA ARG A 23 7.353 3.523 1.118 1.00 0.00 C ATOM 335 C ARG A 23 7.107 4.994 0.738 1.00 0.00 C ATOM 336 O ARG A 23 5.995 5.472 0.818 1.00 0.00 O ATOM 337 CB ARG A 23 7.358 3.394 2.645 1.00 0.00 C ATOM 338 CG ARG A 23 8.133 4.564 3.269 1.00 0.00 C ATOM 339 CD ARG A 23 7.159 5.681 3.659 1.00 0.00 C ATOM 340 NE ARG A 23 7.640 6.981 3.110 1.00 0.00 N ATOM 341 CZ ARG A 23 6.976 8.077 3.353 1.00 0.00 C ATOM 342 NH1 ARG A 23 5.999 8.437 2.567 1.00 0.00 N ATOM 343 NH2 ARG A 23 7.288 8.812 4.385 1.00 0.00 N ATOM 0 H ARG A 23 9.185 2.439 1.249 1.00 0.00 H new ATOM 0 HA ARG A 23 6.555 2.928 0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.335 3.383 3.021 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.814 2.448 2.937 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.680 4.223 4.148 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.871 4.942 2.561 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.163 5.459 3.275 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.076 5.742 4.744 1.00 0.00 H new ATOM 0 HE ARG A 23 8.488 7.013 2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.754 7.861 1.762 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.480 9.294 2.758 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.050 8.529 5.001 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.769 9.669 4.576 1.00 0.00 H new ATOM 357 N GLU A 24 8.109 5.706 0.297 1.00 0.00 N ATOM 358 CA GLU A 24 7.892 7.127 -0.107 1.00 0.00 C ATOM 359 C GLU A 24 7.316 7.154 -1.528 1.00 0.00 C ATOM 360 O GLU A 24 6.235 7.656 -1.768 1.00 0.00 O ATOM 361 CB GLU A 24 9.229 7.875 -0.078 1.00 0.00 C ATOM 362 CG GLU A 24 9.028 9.310 -0.577 1.00 0.00 C ATOM 363 CD GLU A 24 10.322 10.103 -0.386 1.00 0.00 C ATOM 364 OE1 GLU A 24 11.160 10.056 -1.272 1.00 0.00 O ATOM 365 OE2 GLU A 24 10.455 10.745 0.644 1.00 0.00 O ATOM 0 H GLU A 24 9.066 5.367 0.199 1.00 0.00 H new ATOM 0 HA GLU A 24 7.198 7.609 0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.629 7.885 0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.958 7.361 -0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.745 9.304 -1.630 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.214 9.786 -0.031 1.00 0.00 H new ATOM 372 N GLU A 25 8.052 6.615 -2.461 1.00 0.00 N ATOM 373 CA GLU A 25 7.588 6.590 -3.882 1.00 0.00 C ATOM 374 C GLU A 25 6.200 5.942 -3.965 1.00 0.00 C ATOM 375 O GLU A 25 5.271 6.511 -4.512 1.00 0.00 O ATOM 376 CB GLU A 25 8.586 5.792 -4.731 1.00 0.00 C ATOM 377 CG GLU A 25 9.404 6.750 -5.606 1.00 0.00 C ATOM 378 CD GLU A 25 10.030 7.845 -4.734 1.00 0.00 C ATOM 379 OE1 GLU A 25 10.843 7.511 -3.886 1.00 0.00 O ATOM 380 OE2 GLU A 25 9.682 9.000 -4.927 1.00 0.00 O ATOM 0 H GLU A 25 8.964 6.186 -2.300 1.00 0.00 H new ATOM 0 HA GLU A 25 7.526 7.610 -4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.250 5.218 -4.085 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.054 5.076 -5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.185 6.200 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.764 7.199 -6.366 1.00 0.00 H new ATOM 387 N VAL A 26 6.049 4.756 -3.430 1.00 0.00 N ATOM 388 CA VAL A 26 4.720 4.079 -3.488 1.00 0.00 C ATOM 389 C VAL A 26 3.657 4.957 -2.812 1.00 0.00 C ATOM 390 O VAL A 26 2.534 5.025 -3.265 1.00 0.00 O ATOM 391 CB VAL A 26 4.793 2.711 -2.792 1.00 0.00 C ATOM 392 CG1 VAL A 26 5.519 2.838 -1.450 1.00 0.00 C ATOM 393 CG2 VAL A 26 3.375 2.175 -2.555 1.00 0.00 C ATOM 0 H VAL A 26 6.785 4.231 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 26 4.445 3.928 -4.532 1.00 0.00 H new ATOM 0 HB VAL A 26 5.343 2.021 -3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.564 1.862 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.531 3.207 -1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.980 3.535 -0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.431 1.205 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.823 2.872 -1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.862 2.067 -3.511 1.00 0.00 H new ATOM 403 N LYS A 27 3.997 5.631 -1.738 1.00 0.00 N ATOM 404 CA LYS A 27 2.985 6.498 -1.058 1.00 0.00 C ATOM 405 C LYS A 27 2.535 7.602 -2.016 1.00 0.00 C ATOM 406 O LYS A 27 1.405 8.049 -1.970 1.00 0.00 O ATOM 407 CB LYS A 27 3.588 7.124 0.203 1.00 0.00 C ATOM 408 CG LYS A 27 3.022 6.425 1.447 1.00 0.00 C ATOM 409 CD LYS A 27 3.245 4.906 1.351 1.00 0.00 C ATOM 410 CE LYS A 27 1.917 4.165 1.560 1.00 0.00 C ATOM 411 NZ LYS A 27 1.255 4.651 2.804 1.00 0.00 N ATOM 0 H LYS A 27 4.922 5.618 -1.308 1.00 0.00 H new ATOM 0 HA LYS A 27 2.127 5.889 -0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.674 7.031 0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.360 8.189 0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.505 6.815 2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.957 6.638 1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.663 4.653 0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.970 4.589 2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.263 4.325 0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.096 3.092 1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.148 3.861 3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.837 5.395 3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.318 5.036 2.571 1.00 0.00 H new ATOM 425 N ALA A 28 3.401 8.028 -2.900 1.00 0.00 N ATOM 426 CA ALA A 28 3.009 9.082 -3.878 1.00 0.00 C ATOM 427 C ALA A 28 1.959 8.491 -4.816 1.00 0.00 C ATOM 428 O ALA A 28 1.048 9.163 -5.258 1.00 0.00 O ATOM 429 CB ALA A 28 4.235 9.520 -4.683 1.00 0.00 C ATOM 0 H ALA A 28 4.360 7.691 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 28 2.605 9.950 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.945 10.291 -5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.991 9.918 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.643 8.663 -5.219 1.00 0.00 H new ATOM 435 N LEU A 29 2.080 7.219 -5.100 1.00 0.00 N ATOM 436 CA LEU A 29 1.091 6.544 -5.988 1.00 0.00 C ATOM 437 C LEU A 29 -0.065 6.011 -5.132 1.00 0.00 C ATOM 438 O LEU A 29 -1.165 5.812 -5.609 1.00 0.00 O ATOM 439 CB LEU A 29 1.776 5.377 -6.717 1.00 0.00 C ATOM 440 CG LEU A 29 1.817 5.643 -8.231 1.00 0.00 C ATOM 441 CD1 LEU A 29 0.390 5.755 -8.779 1.00 0.00 C ATOM 442 CD2 LEU A 29 2.577 6.947 -8.507 1.00 0.00 C ATOM 0 H LEU A 29 2.826 6.617 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 29 0.706 7.251 -6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.789 5.246 -6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.239 4.450 -6.518 1.00 0.00 H new ATOM 0 HG LEU A 29 2.327 4.816 -8.724 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.426 5.943 -9.852 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.146 4.824 -8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.127 6.577 -8.283 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.604 7.132 -9.581 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.072 7.775 -8.009 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.595 6.862 -8.128 1.00 0.00 H new ATOM 454 N LEU A 30 0.185 5.778 -3.866 1.00 0.00 N ATOM 455 CA LEU A 30 -0.878 5.255 -2.953 1.00 0.00 C ATOM 456 C LEU A 30 -1.954 6.328 -2.745 1.00 0.00 C ATOM 457 O LEU A 30 -3.132 6.077 -2.917 1.00 0.00 O ATOM 458 CB LEU A 30 -0.237 4.892 -1.602 1.00 0.00 C ATOM 459 CG LEU A 30 -1.075 3.839 -0.858 1.00 0.00 C ATOM 460 CD1 LEU A 30 -2.494 4.364 -0.619 1.00 0.00 C ATOM 461 CD2 LEU A 30 -1.136 2.550 -1.686 1.00 0.00 C ATOM 0 H LEU A 30 1.091 5.930 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.341 4.371 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.771 4.511 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.144 5.788 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.608 3.632 0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.077 3.609 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.449 5.273 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.967 4.584 -1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.730 1.805 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.594 2.760 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.127 2.167 -1.838 1.00 0.00 H new ATOM 473 N ARG A 31 -1.558 7.521 -2.380 1.00 0.00 N ATOM 474 CA ARG A 31 -2.557 8.610 -2.164 1.00 0.00 C ATOM 475 C ARG A 31 -3.306 8.875 -3.472 1.00 0.00 C ATOM 476 O ARG A 31 -4.514 9.006 -3.493 1.00 0.00 O ATOM 477 CB ARG A 31 -1.834 9.884 -1.713 1.00 0.00 C ATOM 478 CG ARG A 31 -2.669 10.600 -0.646 1.00 0.00 C ATOM 479 CD ARG A 31 -1.894 11.804 -0.107 1.00 0.00 C ATOM 480 NE ARG A 31 -1.976 12.926 -1.088 1.00 0.00 N ATOM 481 CZ ARG A 31 -2.456 14.083 -0.720 1.00 0.00 C ATOM 482 NH1 ARG A 31 -1.871 14.761 0.230 1.00 0.00 N ATOM 483 NH2 ARG A 31 -3.523 14.561 -1.300 1.00 0.00 N ATOM 0 H ARG A 31 -0.586 7.787 -2.222 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.268 8.310 -1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.851 9.634 -1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.673 10.544 -2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.618 10.927 -1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.904 9.913 0.167 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.306 12.115 0.853 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.853 11.532 0.065 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.657 12.789 -2.047 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.038 14.387 0.685 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.247 15.665 0.517 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.982 14.031 -2.041 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.898 15.465 -1.013 1.00 0.00 H new ATOM 497 N ARG A 32 -2.586 8.941 -4.561 1.00 0.00 N ATOM 498 CA ARG A 32 -3.239 9.182 -5.882 1.00 0.00 C ATOM 499 C ARG A 32 -4.260 8.071 -6.142 1.00 0.00 C ATOM 500 O ARG A 32 -5.292 8.286 -6.746 1.00 0.00 O ATOM 501 CB ARG A 32 -2.177 9.171 -6.986 1.00 0.00 C ATOM 502 CG ARG A 32 -1.503 10.545 -7.068 1.00 0.00 C ATOM 503 CD ARG A 32 -2.327 11.471 -7.968 1.00 0.00 C ATOM 504 NE ARG A 32 -2.166 11.053 -9.391 1.00 0.00 N ATOM 505 CZ ARG A 32 -1.468 11.787 -10.213 1.00 0.00 C ATOM 506 NH1 ARG A 32 -1.953 12.914 -10.655 1.00 0.00 N ATOM 507 NH2 ARG A 32 -0.283 11.392 -10.595 1.00 0.00 N ATOM 0 H ARG A 32 -1.572 8.838 -4.593 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.741 10.150 -5.876 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.433 8.402 -6.780 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.636 8.923 -7.943 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.413 10.977 -6.071 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.493 10.442 -7.464 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.378 11.432 -7.683 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.001 12.503 -7.842 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.602 10.192 -9.722 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.879 13.222 -10.358 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.406 13.487 -11.298 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.096 10.510 -10.251 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.263 11.966 -11.238 1.00 0.00 H new ATOM 521 N LEU A 33 -3.960 6.879 -5.694 1.00 0.00 N ATOM 522 CA LEU A 33 -4.882 5.721 -5.905 1.00 0.00 C ATOM 523 C LEU A 33 -6.177 5.900 -5.110 1.00 0.00 C ATOM 524 O LEU A 33 -6.979 4.993 -5.002 1.00 0.00 O ATOM 525 CB LEU A 33 -4.192 4.452 -5.417 1.00 0.00 C ATOM 526 CG LEU A 33 -4.249 3.358 -6.484 1.00 0.00 C ATOM 527 CD1 LEU A 33 -5.612 3.336 -7.192 1.00 0.00 C ATOM 528 CD2 LEU A 33 -3.139 3.586 -7.513 1.00 0.00 C ATOM 0 H LEU A 33 -3.105 6.656 -5.185 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.123 5.657 -6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.153 4.670 -5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.671 4.100 -4.503 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.108 2.396 -5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.619 2.547 -7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.399 3.147 -6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.787 4.298 -7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.181 2.805 -8.273 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.275 4.559 -7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.170 3.556 -7.015 1.00 0.00 H new ATOM 540 N GLY A 34 -6.395 7.056 -4.566 1.00 0.00 N ATOM 541 CA GLY A 34 -7.646 7.301 -3.790 1.00 0.00 C ATOM 542 C GLY A 34 -7.547 6.665 -2.399 1.00 0.00 C ATOM 543 O GLY A 34 -8.137 7.144 -1.450 1.00 0.00 O ATOM 0 H GLY A 34 -5.759 7.852 -4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.818 8.373 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.500 6.887 -4.326 1.00 0.00 H new ATOM 547 N ALA A 35 -6.812 5.589 -2.269 1.00 0.00 N ATOM 548 CA ALA A 35 -6.684 4.925 -0.939 1.00 0.00 C ATOM 549 C ALA A 35 -5.978 5.865 0.040 1.00 0.00 C ATOM 550 O ALA A 35 -5.023 6.535 -0.306 1.00 0.00 O ATOM 551 CB ALA A 35 -5.874 3.633 -1.090 1.00 0.00 C ATOM 0 H ALA A 35 -6.296 5.143 -3.027 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.676 4.688 -0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.780 3.147 -0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.383 2.963 -1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.882 3.868 -1.476 1.00 0.00 H new ATOM 557 N LYS A 36 -6.445 5.917 1.259 1.00 0.00 N ATOM 558 CA LYS A 36 -5.811 6.812 2.273 1.00 0.00 C ATOM 559 C LYS A 36 -4.498 6.190 2.752 1.00 0.00 C ATOM 560 O LYS A 36 -4.339 4.984 2.751 1.00 0.00 O ATOM 561 CB LYS A 36 -6.761 6.981 3.463 1.00 0.00 C ATOM 562 CG LYS A 36 -7.854 7.996 3.110 1.00 0.00 C ATOM 563 CD LYS A 36 -7.370 9.415 3.431 1.00 0.00 C ATOM 564 CE LYS A 36 -7.704 9.760 4.885 1.00 0.00 C ATOM 565 NZ LYS A 36 -9.176 9.949 5.027 1.00 0.00 N ATOM 0 H LYS A 36 -7.241 5.377 1.598 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.609 7.785 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.211 6.022 3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.206 7.319 4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.107 7.919 2.052 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.762 7.776 3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.295 9.488 3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.844 10.131 2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.364 8.963 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.180 10.668 5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.368 10.596 5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.560 10.353 4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.628 9.031 5.213 1.00 0.00 H new ATOM 579 N VAL A 37 -3.554 7.002 3.161 1.00 0.00 N ATOM 580 CA VAL A 37 -2.249 6.458 3.639 1.00 0.00 C ATOM 581 C VAL A 37 -2.112 6.696 5.145 1.00 0.00 C ATOM 582 O VAL A 37 -2.662 7.634 5.690 1.00 0.00 O ATOM 583 CB VAL A 37 -1.097 7.163 2.908 1.00 0.00 C ATOM 584 CG1 VAL A 37 -1.169 6.849 1.411 1.00 0.00 C ATOM 585 CG2 VAL A 37 -1.199 8.680 3.113 1.00 0.00 C ATOM 0 H VAL A 37 -3.633 8.019 3.184 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.211 5.388 3.434 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.149 6.807 3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.351 7.350 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.088 5.772 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.120 7.200 1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.379 9.174 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.149 9.038 2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.142 8.908 4.177 1.00 0.00 H new ATOM 595 N THR A 38 -1.376 5.852 5.817 1.00 0.00 N ATOM 596 CA THR A 38 -1.180 6.012 7.289 1.00 0.00 C ATOM 597 C THR A 38 0.098 5.273 7.694 1.00 0.00 C ATOM 598 O THR A 38 0.798 4.737 6.858 1.00 0.00 O ATOM 599 CB THR A 38 -2.382 5.422 8.045 1.00 0.00 C ATOM 600 OG1 THR A 38 -3.217 4.717 7.136 1.00 0.00 O ATOM 601 CG2 THR A 38 -3.181 6.549 8.706 1.00 0.00 C ATOM 0 H THR A 38 -0.897 5.051 5.406 1.00 0.00 H new ATOM 0 HA THR A 38 -1.095 7.070 7.538 1.00 0.00 H new ATOM 0 HB THR A 38 -2.022 4.737 8.813 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.145 4.755 7.447 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.032 6.127 9.241 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.542 7.085 9.407 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.539 7.238 7.941 1.00 0.00 H new ATOM 609 N ASP A 39 0.415 5.237 8.963 1.00 0.00 N ATOM 610 CA ASP A 39 1.654 4.524 9.400 1.00 0.00 C ATOM 611 C ASP A 39 1.476 3.942 10.811 1.00 0.00 C ATOM 612 O ASP A 39 2.366 3.300 11.334 1.00 0.00 O ATOM 613 CB ASP A 39 2.832 5.506 9.401 1.00 0.00 C ATOM 614 CG ASP A 39 2.422 6.799 10.113 1.00 0.00 C ATOM 615 OD1 ASP A 39 2.487 6.828 11.331 1.00 0.00 O ATOM 616 OD2 ASP A 39 2.050 7.737 9.428 1.00 0.00 O ATOM 0 H ASP A 39 -0.127 5.668 9.712 1.00 0.00 H new ATOM 0 HA ASP A 39 1.850 3.706 8.706 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.691 5.059 9.902 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.138 5.724 8.378 1.00 0.00 H new ATOM 621 N SER A 40 0.343 4.162 11.434 1.00 0.00 N ATOM 622 CA SER A 40 0.123 3.622 12.809 1.00 0.00 C ATOM 623 C SER A 40 -1.229 2.908 12.874 1.00 0.00 C ATOM 624 O SER A 40 -1.948 2.825 11.897 1.00 0.00 O ATOM 625 CB SER A 40 0.134 4.777 13.812 1.00 0.00 C ATOM 626 OG SER A 40 -0.545 5.895 13.251 1.00 0.00 O ATOM 0 H SER A 40 -0.438 4.693 11.048 1.00 0.00 H new ATOM 0 HA SER A 40 0.916 2.915 13.051 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.349 4.472 14.740 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.160 5.048 14.061 1.00 0.00 H new ATOM 0 HG SER A 40 -0.541 6.636 13.892 1.00 0.00 H new ATOM 632 N VAL A 41 -1.578 2.397 14.027 1.00 0.00 N ATOM 633 CA VAL A 41 -2.883 1.688 14.181 1.00 0.00 C ATOM 634 C VAL A 41 -3.504 2.061 15.528 1.00 0.00 C ATOM 635 O VAL A 41 -2.808 2.372 16.476 1.00 0.00 O ATOM 636 CB VAL A 41 -2.661 0.172 14.127 1.00 0.00 C ATOM 637 CG1 VAL A 41 -2.162 -0.225 12.737 1.00 0.00 C ATOM 638 CG2 VAL A 41 -1.622 -0.239 15.176 1.00 0.00 C ATOM 0 H VAL A 41 -1.011 2.441 14.874 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.551 1.982 13.372 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.604 -0.334 14.335 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.005 -1.303 12.701 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.903 0.059 11.990 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.222 0.286 12.528 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.468 -1.317 15.133 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.680 0.270 14.974 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.978 0.037 16.168 1.00 0.00 H new ATOM 648 N SER A 42 -4.807 2.035 15.618 1.00 0.00 N ATOM 649 CA SER A 42 -5.476 2.389 16.903 1.00 0.00 C ATOM 650 C SER A 42 -6.731 1.531 17.081 1.00 0.00 C ATOM 651 O SER A 42 -7.046 1.099 18.172 1.00 0.00 O ATOM 652 CB SER A 42 -5.866 3.868 16.884 1.00 0.00 C ATOM 653 OG SER A 42 -6.724 4.114 15.776 1.00 0.00 O ATOM 0 H SER A 42 -5.437 1.784 14.856 1.00 0.00 H new ATOM 0 HA SER A 42 -4.792 2.204 17.731 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.368 4.135 17.814 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.974 4.490 16.813 1.00 0.00 H new ATOM 0 HG SER A 42 -6.977 5.061 15.762 1.00 0.00 H new ATOM 659 N ARG A 43 -7.447 1.282 16.013 1.00 0.00 N ATOM 660 CA ARG A 43 -8.687 0.454 16.090 1.00 0.00 C ATOM 661 C ARG A 43 -9.346 0.474 14.710 1.00 0.00 C ATOM 662 O ARG A 43 -9.443 -0.532 14.035 1.00 0.00 O ATOM 663 CB ARG A 43 -9.656 1.048 17.127 1.00 0.00 C ATOM 664 CG ARG A 43 -9.871 0.049 18.268 1.00 0.00 C ATOM 665 CD ARG A 43 -10.481 0.771 19.473 1.00 0.00 C ATOM 666 NE ARG A 43 -10.782 -0.218 20.546 1.00 0.00 N ATOM 667 CZ ARG A 43 -10.295 -0.051 21.746 1.00 0.00 C ATOM 668 NH1 ARG A 43 -10.469 1.082 22.371 1.00 0.00 N ATOM 669 NH2 ARG A 43 -9.636 -1.018 22.323 1.00 0.00 N ATOM 0 H ARG A 43 -7.221 1.623 15.079 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.441 -0.565 16.389 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.255 1.982 17.520 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.609 1.285 16.654 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.530 -0.756 17.941 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.922 -0.409 18.548 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.790 1.528 19.845 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.392 1.290 19.176 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.369 -1.027 20.343 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.986 1.838 21.922 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.088 1.211 23.308 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.501 -1.904 21.837 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.256 -0.888 23.260 1.00 0.00 H new ATOM 683 N LYS A 44 -9.785 1.632 14.291 1.00 0.00 N ATOM 684 CA LYS A 44 -10.431 1.762 12.953 1.00 0.00 C ATOM 685 C LYS A 44 -9.355 1.722 11.861 1.00 0.00 C ATOM 686 O LYS A 44 -9.645 1.847 10.688 1.00 0.00 O ATOM 687 CB LYS A 44 -11.186 3.092 12.879 1.00 0.00 C ATOM 688 CG LYS A 44 -12.449 3.011 13.742 1.00 0.00 C ATOM 689 CD LYS A 44 -13.032 4.413 13.932 1.00 0.00 C ATOM 690 CE LYS A 44 -14.329 4.322 14.742 1.00 0.00 C ATOM 691 NZ LYS A 44 -14.746 5.688 15.167 1.00 0.00 N ATOM 0 H LYS A 44 -9.723 2.500 14.823 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.130 0.939 12.804 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.547 3.905 13.225 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.452 3.314 11.846 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.185 2.362 13.268 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.212 2.570 14.710 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.313 5.050 14.447 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.228 4.871 12.963 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.113 3.861 14.142 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.181 3.687 15.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.627 5.627 15.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.000 6.112 15.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.903 6.280 14.327 1.00 0.00 H new ATOM 705 N THR A 45 -8.115 1.546 12.245 1.00 0.00 N ATOM 706 CA THR A 45 -7.012 1.497 11.241 1.00 0.00 C ATOM 707 C THR A 45 -6.076 0.333 11.579 1.00 0.00 C ATOM 708 O THR A 45 -5.258 0.420 12.474 1.00 0.00 O ATOM 709 CB THR A 45 -6.227 2.815 11.276 1.00 0.00 C ATOM 710 OG1 THR A 45 -7.104 3.878 11.626 1.00 0.00 O ATOM 711 CG2 THR A 45 -5.620 3.089 9.898 1.00 0.00 C ATOM 0 H THR A 45 -7.820 1.434 13.215 1.00 0.00 H new ATOM 0 HA THR A 45 -7.429 1.354 10.244 1.00 0.00 H new ATOM 0 HB THR A 45 -5.429 2.741 12.015 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.604 4.720 11.650 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.063 4.026 9.925 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.948 2.275 9.628 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.417 3.162 9.158 1.00 0.00 H new ATOM 719 N SER A 46 -6.194 -0.757 10.868 1.00 0.00 N ATOM 720 CA SER A 46 -5.316 -1.935 11.136 1.00 0.00 C ATOM 721 C SER A 46 -5.061 -2.674 9.818 1.00 0.00 C ATOM 722 O SER A 46 -5.510 -3.785 9.613 1.00 0.00 O ATOM 723 CB SER A 46 -5.993 -2.871 12.143 1.00 0.00 C ATOM 724 OG SER A 46 -6.938 -2.138 12.913 1.00 0.00 O ATOM 0 H SER A 46 -6.864 -0.883 10.109 1.00 0.00 H new ATOM 0 HA SER A 46 -4.367 -1.601 11.556 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.490 -3.687 11.619 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.246 -3.320 12.797 1.00 0.00 H new ATOM 0 HG SER A 46 -7.372 -2.737 13.556 1.00 0.00 H new ATOM 730 N TYR A 47 -4.336 -2.054 8.927 1.00 0.00 N ATOM 731 CA TYR A 47 -4.026 -2.687 7.610 1.00 0.00 C ATOM 732 C TYR A 47 -2.695 -2.134 7.107 1.00 0.00 C ATOM 733 O TYR A 47 -2.508 -0.938 7.039 1.00 0.00 O ATOM 734 CB TYR A 47 -5.125 -2.348 6.595 1.00 0.00 C ATOM 735 CG TYR A 47 -6.485 -2.614 7.200 1.00 0.00 C ATOM 736 CD1 TYR A 47 -7.049 -3.894 7.120 1.00 0.00 C ATOM 737 CD2 TYR A 47 -7.180 -1.581 7.842 1.00 0.00 C ATOM 738 CE1 TYR A 47 -8.307 -4.139 7.682 1.00 0.00 C ATOM 739 CE2 TYR A 47 -8.438 -1.827 8.403 1.00 0.00 C ATOM 740 CZ TYR A 47 -9.001 -3.106 8.323 1.00 0.00 C ATOM 741 OH TYR A 47 -10.242 -3.348 8.878 1.00 0.00 O ATOM 0 H TYR A 47 -3.939 -1.123 9.056 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.970 -3.769 7.728 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.048 -1.302 6.298 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.996 -2.946 5.693 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.514 -4.691 6.625 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.745 -0.595 7.904 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.743 -5.125 7.621 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -8.974 -1.031 8.897 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.585 -2.525 9.285 1.00 0.00 H new ATOM 751 N LEU A 48 -1.772 -2.985 6.751 1.00 0.00 N ATOM 752 CA LEU A 48 -0.457 -2.485 6.254 1.00 0.00 C ATOM 753 C LEU A 48 -0.133 -3.145 4.918 1.00 0.00 C ATOM 754 O LEU A 48 -0.484 -4.282 4.672 1.00 0.00 O ATOM 755 CB LEU A 48 0.641 -2.785 7.299 1.00 0.00 C ATOM 756 CG LEU A 48 1.867 -3.478 6.666 1.00 0.00 C ATOM 757 CD1 LEU A 48 3.081 -3.295 7.584 1.00 0.00 C ATOM 758 CD2 LEU A 48 1.583 -4.976 6.495 1.00 0.00 C ATOM 0 H LEU A 48 -1.870 -4.000 6.782 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.504 -1.406 6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.955 -1.855 7.773 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.231 -3.420 8.084 1.00 0.00 H new ATOM 0 HG LEU A 48 2.070 -3.035 5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.949 -3.783 7.141 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.286 -2.232 7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.872 -3.740 8.557 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.450 -5.462 6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.379 -5.421 7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.717 -5.110 5.846 1.00 0.00 H new ATOM 770 N VAL A 49 0.565 -2.442 4.070 1.00 0.00 N ATOM 771 CA VAL A 49 0.957 -3.021 2.758 1.00 0.00 C ATOM 772 C VAL A 49 2.303 -3.708 2.948 1.00 0.00 C ATOM 773 O VAL A 49 3.276 -3.069 3.289 1.00 0.00 O ATOM 774 CB VAL A 49 1.095 -1.916 1.699 1.00 0.00 C ATOM 775 CG1 VAL A 49 -0.250 -1.696 1.008 1.00 0.00 C ATOM 776 CG2 VAL A 49 1.547 -0.606 2.357 1.00 0.00 C ATOM 0 H VAL A 49 0.882 -1.486 4.232 1.00 0.00 H new ATOM 0 HA VAL A 49 0.197 -3.725 2.418 1.00 0.00 H new ATOM 0 HB VAL A 49 1.840 -2.223 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.150 -0.912 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.567 -2.621 0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.994 -1.398 1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.641 0.169 1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.810 -0.299 3.099 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.511 -0.757 2.843 1.00 0.00 H new ATOM 786 N VAL A 50 2.365 -5.006 2.798 1.00 0.00 N ATOM 787 CA VAL A 50 3.654 -5.721 3.041 1.00 0.00 C ATOM 788 C VAL A 50 4.795 -5.024 2.291 1.00 0.00 C ATOM 789 O VAL A 50 4.581 -4.191 1.433 1.00 0.00 O ATOM 790 CB VAL A 50 3.522 -7.175 2.561 1.00 0.00 C ATOM 791 CG1 VAL A 50 4.846 -7.919 2.764 1.00 0.00 C ATOM 792 CG2 VAL A 50 2.422 -7.878 3.364 1.00 0.00 C ATOM 0 H VAL A 50 1.583 -5.599 2.519 1.00 0.00 H new ATOM 0 HA VAL A 50 3.880 -5.707 4.107 1.00 0.00 H new ATOM 0 HB VAL A 50 3.268 -7.177 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.741 -8.948 2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.632 -7.424 2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.107 -7.914 3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.327 -8.910 3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.681 -7.866 4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.475 -7.359 3.216 1.00 0.00 H new ATOM 802 N GLY A 51 6.007 -5.371 2.620 1.00 0.00 N ATOM 803 CA GLY A 51 7.182 -4.743 1.951 1.00 0.00 C ATOM 804 C GLY A 51 8.180 -5.818 1.520 1.00 0.00 C ATOM 805 O GLY A 51 7.913 -6.612 0.640 1.00 0.00 O ATOM 0 H GLY A 51 6.237 -6.068 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.853 -4.172 1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.664 -4.040 2.630 1.00 0.00 H new ATOM 809 N GLU A 52 9.336 -5.831 2.128 1.00 0.00 N ATOM 810 CA GLU A 52 10.377 -6.831 1.757 1.00 0.00 C ATOM 811 C GLU A 52 10.381 -7.984 2.772 1.00 0.00 C ATOM 812 O GLU A 52 9.366 -8.604 3.022 1.00 0.00 O ATOM 813 CB GLU A 52 11.739 -6.129 1.749 1.00 0.00 C ATOM 814 CG GLU A 52 12.722 -6.918 0.878 1.00 0.00 C ATOM 815 CD GLU A 52 14.128 -6.330 1.026 1.00 0.00 C ATOM 816 OE1 GLU A 52 14.351 -5.240 0.524 1.00 0.00 O ATOM 817 OE2 GLU A 52 14.959 -6.979 1.640 1.00 0.00 O ATOM 0 H GLU A 52 9.605 -5.186 2.871 1.00 0.00 H new ATOM 0 HA GLU A 52 10.166 -7.244 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.633 -5.114 1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.123 -6.048 2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.723 -7.967 1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.409 -6.881 -0.166 1.00 0.00 H new ATOM 824 N ASN A 53 11.519 -8.269 3.356 1.00 0.00 N ATOM 825 CA ASN A 53 11.606 -9.371 4.359 1.00 0.00 C ATOM 826 C ASN A 53 12.123 -8.800 5.686 1.00 0.00 C ATOM 827 O ASN A 53 11.410 -8.780 6.670 1.00 0.00 O ATOM 828 CB ASN A 53 12.552 -10.466 3.845 1.00 0.00 C ATOM 829 CG ASN A 53 11.736 -11.621 3.260 1.00 0.00 C ATOM 830 OD1 ASN A 53 10.704 -11.409 2.654 1.00 0.00 O ATOM 831 ND2 ASN A 53 12.161 -12.846 3.413 1.00 0.00 N ATOM 0 H ASN A 53 12.397 -7.781 3.178 1.00 0.00 H new ATOM 0 HA ASN A 53 10.620 -9.809 4.515 1.00 0.00 H new ATOM 0 HB2 ASN A 53 13.218 -10.057 3.085 1.00 0.00 H new ATOM 0 HB3 ASN A 53 13.181 -10.828 4.658 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.627 -13.623 3.024 1.00 0.00 H new ATOM 0 HD22 ASN A 53 13.027 -13.026 3.921 1.00 0.00 H new ATOM 838 N PRO A 54 13.347 -8.319 5.717 1.00 0.00 N ATOM 839 CA PRO A 54 13.937 -7.720 6.951 1.00 0.00 C ATOM 840 C PRO A 54 13.352 -6.331 7.231 1.00 0.00 C ATOM 841 O PRO A 54 13.772 -5.638 8.138 1.00 0.00 O ATOM 842 CB PRO A 54 15.430 -7.617 6.631 1.00 0.00 C ATOM 843 CG PRO A 54 15.514 -7.542 5.141 1.00 0.00 C ATOM 844 CD PRO A 54 14.300 -8.292 4.591 1.00 0.00 C ATOM 0 HA PRO A 54 13.730 -8.316 7.840 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.871 -6.734 7.094 1.00 0.00 H new ATOM 0 HB3 PRO A 54 15.974 -8.482 7.012 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.512 -6.505 4.806 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.440 -7.991 4.783 1.00 0.00 H new ATOM 0 HD2 PRO A 54 13.877 -7.784 3.724 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.566 -9.299 4.271 1.00 0.00 H new ATOM 852 N GLY A 55 12.389 -5.926 6.443 1.00 0.00 N ATOM 853 CA GLY A 55 11.764 -4.585 6.629 1.00 0.00 C ATOM 854 C GLY A 55 11.135 -4.476 8.016 1.00 0.00 C ATOM 855 O GLY A 55 10.940 -5.458 8.707 1.00 0.00 O ATOM 0 H GLY A 55 12.007 -6.473 5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 55 12.516 -3.806 6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.004 -4.422 5.865 1.00 0.00 H new ATOM 859 N SER A 56 10.815 -3.277 8.421 1.00 0.00 N ATOM 860 CA SER A 56 10.195 -3.070 9.758 1.00 0.00 C ATOM 861 C SER A 56 8.736 -3.529 9.724 1.00 0.00 C ATOM 862 O SER A 56 8.092 -3.651 10.747 1.00 0.00 O ATOM 863 CB SER A 56 10.256 -1.584 10.108 1.00 0.00 C ATOM 864 OG SER A 56 9.917 -1.407 11.477 1.00 0.00 O ATOM 0 H SER A 56 10.958 -2.426 7.877 1.00 0.00 H new ATOM 0 HA SER A 56 10.734 -3.649 10.508 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.256 -1.195 9.916 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.569 -1.022 9.476 1.00 0.00 H new ATOM 0 HG SER A 56 9.752 -2.281 11.889 1.00 0.00 H new ATOM 870 N LYS A 57 8.212 -3.786 8.552 1.00 0.00 N ATOM 871 CA LYS A 57 6.795 -4.240 8.446 1.00 0.00 C ATOM 872 C LYS A 57 6.610 -5.540 9.230 1.00 0.00 C ATOM 873 O LYS A 57 5.511 -5.903 9.589 1.00 0.00 O ATOM 874 CB LYS A 57 6.435 -4.461 6.968 1.00 0.00 C ATOM 875 CG LYS A 57 7.001 -5.797 6.463 1.00 0.00 C ATOM 876 CD LYS A 57 8.526 -5.710 6.362 1.00 0.00 C ATOM 877 CE LYS A 57 9.038 -6.790 5.408 1.00 0.00 C ATOM 878 NZ LYS A 57 8.848 -8.134 6.027 1.00 0.00 N ATOM 0 H LYS A 57 8.706 -3.700 7.664 1.00 0.00 H new ATOM 0 HA LYS A 57 6.137 -3.478 8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.352 -4.451 6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.830 -3.643 6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.718 -6.602 7.141 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.576 -6.037 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.821 -4.724 6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.974 -5.838 7.347 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.503 -6.736 4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.093 -6.625 5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.390 -8.770 5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.773 -8.525 6.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.249 -8.045 6.872 1.00 0.00 H new ATOM 892 N LEU A 58 7.682 -6.239 9.500 1.00 0.00 N ATOM 893 CA LEU A 58 7.586 -7.521 10.262 1.00 0.00 C ATOM 894 C LEU A 58 6.767 -7.315 11.541 1.00 0.00 C ATOM 895 O LEU A 58 6.249 -8.252 12.110 1.00 0.00 O ATOM 896 CB LEU A 58 8.994 -7.988 10.639 1.00 0.00 C ATOM 897 CG LEU A 58 9.508 -8.982 9.593 1.00 0.00 C ATOM 898 CD1 LEU A 58 11.039 -9.004 9.613 1.00 0.00 C ATOM 899 CD2 LEU A 58 8.974 -10.383 9.912 1.00 0.00 C ATOM 0 H LEU A 58 8.627 -5.975 9.223 1.00 0.00 H new ATOM 0 HA LEU A 58 7.096 -8.270 9.640 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.666 -7.132 10.702 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.981 -8.456 11.623 1.00 0.00 H new ATOM 0 HG LEU A 58 9.163 -8.677 8.605 1.00 0.00 H new ATOM 0 HD11 LEU A 58 11.402 -9.712 8.868 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.420 -8.009 9.384 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.386 -9.307 10.601 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.340 -11.090 9.168 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.318 -10.687 10.901 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.884 -10.370 9.895 1.00 0.00 H new ATOM 911 N GLU A 59 6.650 -6.097 11.994 1.00 0.00 N ATOM 912 CA GLU A 59 5.873 -5.832 13.239 1.00 0.00 C ATOM 913 C GLU A 59 4.375 -5.906 12.943 1.00 0.00 C ATOM 914 O GLU A 59 3.671 -6.736 13.487 1.00 0.00 O ATOM 915 CB GLU A 59 6.229 -4.444 13.775 1.00 0.00 C ATOM 916 CG GLU A 59 7.487 -4.535 14.645 1.00 0.00 C ATOM 917 CD GLU A 59 8.677 -4.979 13.788 1.00 0.00 C ATOM 918 OE1 GLU A 59 9.299 -4.121 13.181 1.00 0.00 O ATOM 919 OE2 GLU A 59 8.945 -6.169 13.751 1.00 0.00 O ATOM 0 H GLU A 59 7.059 -5.272 11.555 1.00 0.00 H new ATOM 0 HA GLU A 59 6.123 -6.584 13.988 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.397 -3.755 12.947 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.399 -4.045 14.358 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.696 -3.567 15.101 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.328 -5.243 15.458 1.00 0.00 H new ATOM 926 N LYS A 60 3.873 -5.050 12.094 1.00 0.00 N ATOM 927 CA LYS A 60 2.416 -5.091 11.783 1.00 0.00 C ATOM 928 C LYS A 60 2.143 -6.182 10.752 1.00 0.00 C ATOM 929 O LYS A 60 1.103 -6.805 10.771 1.00 0.00 O ATOM 930 CB LYS A 60 1.965 -3.740 11.223 1.00 0.00 C ATOM 931 CG LYS A 60 0.445 -3.757 11.004 1.00 0.00 C ATOM 932 CD LYS A 60 -0.051 -2.336 10.726 1.00 0.00 C ATOM 933 CE LYS A 60 -1.508 -2.387 10.262 1.00 0.00 C ATOM 934 NZ LYS A 60 -1.979 -1.010 9.948 1.00 0.00 N ATOM 0 H LYS A 60 4.405 -4.329 11.606 1.00 0.00 H new ATOM 0 HA LYS A 60 1.863 -5.305 12.697 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.235 -2.940 11.913 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.476 -3.535 10.282 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.195 -4.410 10.168 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.055 -4.161 11.884 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.034 -1.727 11.626 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.569 -1.866 9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.598 -3.023 9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.133 -2.828 11.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.916 -0.858 10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.307 -0.317 10.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.044 -0.892 8.917 1.00 0.00 H new ATOM 948 N ALA A 61 3.070 -6.426 9.860 1.00 0.00 N ATOM 949 CA ALA A 61 2.858 -7.482 8.829 1.00 0.00 C ATOM 950 C ALA A 61 2.731 -8.844 9.510 1.00 0.00 C ATOM 951 O ALA A 61 1.879 -9.637 9.155 1.00 0.00 O ATOM 952 CB ALA A 61 4.024 -7.498 7.844 1.00 0.00 C ATOM 0 H ALA A 61 3.964 -5.938 9.803 1.00 0.00 H new ATOM 0 HA ALA A 61 1.941 -7.266 8.281 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.858 -8.273 7.096 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.098 -6.528 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.950 -7.704 8.380 1.00 0.00 H new ATOM 958 N ARG A 62 3.539 -9.124 10.506 1.00 0.00 N ATOM 959 CA ARG A 62 3.396 -10.433 11.205 1.00 0.00 C ATOM 960 C ARG A 62 2.097 -10.366 12.002 1.00 0.00 C ATOM 961 O ARG A 62 1.375 -11.336 12.121 1.00 0.00 O ATOM 962 CB ARG A 62 4.594 -10.688 12.133 1.00 0.00 C ATOM 963 CG ARG A 62 4.395 -9.982 13.479 1.00 0.00 C ATOM 964 CD ARG A 62 5.626 -10.212 14.362 1.00 0.00 C ATOM 965 NE ARG A 62 5.408 -9.579 15.693 1.00 0.00 N ATOM 966 CZ ARG A 62 6.394 -9.498 16.547 1.00 0.00 C ATOM 967 NH1 ARG A 62 6.855 -10.578 17.116 1.00 0.00 N ATOM 968 NH2 ARG A 62 6.915 -8.337 16.833 1.00 0.00 N ATOM 0 H ARG A 62 4.277 -8.513 10.857 1.00 0.00 H new ATOM 0 HA ARG A 62 3.370 -11.255 10.490 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.715 -11.759 12.293 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.509 -10.331 11.661 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.240 -8.914 13.323 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.502 -10.364 13.974 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.807 -11.280 14.481 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.511 -9.789 13.887 1.00 0.00 H new ATOM 0 HE ARG A 62 4.490 -9.209 15.938 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.446 -11.486 16.894 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.625 -10.515 17.782 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.553 -7.492 16.390 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.685 -8.274 17.499 1.00 0.00 H new ATOM 982 N ALA A 63 1.786 -9.193 12.505 1.00 0.00 N ATOM 983 CA ALA A 63 0.518 -8.977 13.265 1.00 0.00 C ATOM 984 C ALA A 63 0.409 -9.903 14.477 1.00 0.00 C ATOM 985 O ALA A 63 0.979 -10.976 14.526 1.00 0.00 O ATOM 986 CB ALA A 63 -0.676 -9.218 12.338 1.00 0.00 C ATOM 0 H ALA A 63 2.371 -8.362 12.417 1.00 0.00 H new ATOM 0 HA ALA A 63 0.521 -7.950 13.629 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.603 -9.061 12.890 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.631 -8.524 11.499 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.645 -10.241 11.964 1.00 0.00 H new ATOM 992 N LEU A 64 -0.353 -9.482 15.449 1.00 0.00 N ATOM 993 CA LEU A 64 -0.566 -10.298 16.673 1.00 0.00 C ATOM 994 C LEU A 64 -2.078 -10.483 16.854 1.00 0.00 C ATOM 995 O LEU A 64 -2.568 -10.739 17.935 1.00 0.00 O ATOM 996 CB LEU A 64 0.025 -9.563 17.881 1.00 0.00 C ATOM 997 CG LEU A 64 0.091 -10.512 19.078 1.00 0.00 C ATOM 998 CD1 LEU A 64 1.401 -11.305 19.036 1.00 0.00 C ATOM 999 CD2 LEU A 64 0.027 -9.704 20.377 1.00 0.00 C ATOM 0 H LEU A 64 -0.846 -8.589 15.444 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.078 -11.269 16.585 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.022 -9.193 17.642 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.587 -8.695 18.126 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.752 -11.202 19.036 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.445 -11.980 19.890 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.447 -11.884 18.113 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.245 -10.616 19.074 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.074 -10.381 21.230 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.868 -9.012 20.417 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.907 -9.143 20.411 1.00 0.00 H new ATOM 1011 N GLY A 65 -2.813 -10.329 15.785 1.00 0.00 N ATOM 1012 CA GLY A 65 -4.293 -10.464 15.840 1.00 0.00 C ATOM 1013 C GLY A 65 -4.881 -9.486 14.829 1.00 0.00 C ATOM 1014 O GLY A 65 -6.004 -9.621 14.385 1.00 0.00 O ATOM 0 H GLY A 65 -2.441 -10.111 14.861 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.594 -11.485 15.605 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.661 -10.246 16.843 1.00 0.00 H new ATOM 1018 N VAL A 66 -4.105 -8.496 14.463 1.00 0.00 N ATOM 1019 CA VAL A 66 -4.581 -7.483 13.476 1.00 0.00 C ATOM 1020 C VAL A 66 -4.354 -8.001 12.047 1.00 0.00 C ATOM 1021 O VAL A 66 -3.483 -8.813 11.808 1.00 0.00 O ATOM 1022 CB VAL A 66 -3.817 -6.167 13.678 1.00 0.00 C ATOM 1023 CG1 VAL A 66 -4.184 -5.565 15.037 1.00 0.00 C ATOM 1024 CG2 VAL A 66 -2.307 -6.427 13.627 1.00 0.00 C ATOM 0 H VAL A 66 -3.157 -8.347 14.809 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.646 -7.308 13.627 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.089 -5.471 12.884 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.641 -4.631 15.180 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.256 -5.371 15.071 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.917 -6.265 15.829 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.771 -5.489 13.771 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.031 -7.127 14.416 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.043 -6.850 12.658 1.00 0.00 H new ATOM 1034 N PRO A 67 -5.144 -7.541 11.105 1.00 0.00 N ATOM 1035 CA PRO A 67 -5.041 -7.965 9.680 1.00 0.00 C ATOM 1036 C PRO A 67 -3.987 -7.173 8.887 1.00 0.00 C ATOM 1037 O PRO A 67 -3.763 -6.002 9.123 1.00 0.00 O ATOM 1038 CB PRO A 67 -6.438 -7.691 9.125 1.00 0.00 C ATOM 1039 CG PRO A 67 -7.023 -6.610 9.984 1.00 0.00 C ATOM 1040 CD PRO A 67 -6.229 -6.568 11.297 1.00 0.00 C ATOM 0 HA PRO A 67 -4.724 -9.005 9.598 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.388 -7.376 8.083 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.053 -8.590 9.157 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.970 -5.648 9.475 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.077 -6.808 10.182 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.837 -5.570 11.491 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.855 -6.835 12.148 1.00 0.00 H new ATOM 1048 N THR A 68 -3.347 -7.823 7.946 1.00 0.00 N ATOM 1049 CA THR A 68 -2.302 -7.152 7.108 1.00 0.00 C ATOM 1050 C THR A 68 -2.636 -7.374 5.630 1.00 0.00 C ATOM 1051 O THR A 68 -2.879 -8.488 5.209 1.00 0.00 O ATOM 1052 CB THR A 68 -0.942 -7.776 7.420 1.00 0.00 C ATOM 1053 OG1 THR A 68 -1.005 -9.183 7.221 1.00 0.00 O ATOM 1054 CG2 THR A 68 -0.578 -7.480 8.872 1.00 0.00 C ATOM 0 H THR A 68 -3.506 -8.805 7.719 1.00 0.00 H new ATOM 0 HA THR A 68 -2.274 -6.084 7.323 1.00 0.00 H new ATOM 0 HB THR A 68 -0.185 -7.355 6.759 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.640 -9.384 6.502 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.391 -7.922 9.102 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.529 -6.402 9.022 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.336 -7.904 9.531 1.00 0.00 H new ATOM 1062 N LEU A 69 -2.661 -6.331 4.834 1.00 0.00 N ATOM 1063 CA LEU A 69 -2.992 -6.504 3.386 1.00 0.00 C ATOM 1064 C LEU A 69 -1.707 -6.520 2.552 1.00 0.00 C ATOM 1065 O LEU A 69 -0.889 -5.626 2.629 1.00 0.00 O ATOM 1066 CB LEU A 69 -3.883 -5.343 2.925 1.00 0.00 C ATOM 1067 CG LEU A 69 -5.359 -5.730 3.082 1.00 0.00 C ATOM 1068 CD1 LEU A 69 -6.217 -4.465 3.142 1.00 0.00 C ATOM 1069 CD2 LEU A 69 -5.794 -6.585 1.887 1.00 0.00 C ATOM 0 H LEU A 69 -2.467 -5.372 5.124 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.518 -7.449 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.667 -4.451 3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.670 -5.099 1.884 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.487 -6.299 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.265 -4.741 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.910 -3.857 3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.088 -3.894 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.843 -6.860 1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.664 -6.016 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.185 -7.488 1.845 1.00 0.00 H new ATOM 1081 N THR A 70 -1.523 -7.539 1.757 1.00 0.00 N ATOM 1082 CA THR A 70 -0.295 -7.629 0.913 1.00 0.00 C ATOM 1083 C THR A 70 -0.229 -6.439 -0.049 1.00 0.00 C ATOM 1084 O THR A 70 -1.235 -5.994 -0.569 1.00 0.00 O ATOM 1085 CB THR A 70 -0.345 -8.924 0.097 1.00 0.00 C ATOM 1086 OG1 THR A 70 -0.901 -9.964 0.891 1.00 0.00 O ATOM 1087 CG2 THR A 70 1.068 -9.314 -0.339 1.00 0.00 C ATOM 0 H THR A 70 -2.174 -8.318 1.655 1.00 0.00 H new ATOM 0 HA THR A 70 0.584 -7.620 1.558 1.00 0.00 H new ATOM 0 HB THR A 70 -0.965 -8.770 -0.786 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.935 -10.792 0.368 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.028 -10.236 -0.919 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.493 -8.518 -0.951 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.692 -9.466 0.542 1.00 0.00 H new ATOM 1095 N GLU A 71 0.952 -5.936 -0.312 1.00 0.00 N ATOM 1096 CA GLU A 71 1.083 -4.795 -1.265 1.00 0.00 C ATOM 1097 C GLU A 71 0.920 -5.336 -2.687 1.00 0.00 C ATOM 1098 O GLU A 71 0.611 -4.610 -3.610 1.00 0.00 O ATOM 1099 CB GLU A 71 2.458 -4.133 -1.111 1.00 0.00 C ATOM 1100 CG GLU A 71 2.372 -2.667 -1.562 1.00 0.00 C ATOM 1101 CD GLU A 71 3.641 -1.914 -1.146 1.00 0.00 C ATOM 1102 OE1 GLU A 71 4.014 -2.004 0.012 1.00 0.00 O ATOM 1103 OE2 GLU A 71 4.214 -1.250 -1.993 1.00 0.00 O ATOM 0 H GLU A 71 1.828 -6.267 0.092 1.00 0.00 H new ATOM 0 HA GLU A 71 0.318 -4.047 -1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.786 -4.187 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.199 -4.666 -1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.248 -2.618 -2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.496 -2.193 -1.119 1.00 0.00 H new ATOM 1110 N GLU A 72 1.128 -6.617 -2.858 1.00 0.00 N ATOM 1111 CA GLU A 72 0.983 -7.236 -4.208 1.00 0.00 C ATOM 1112 C GLU A 72 -0.320 -6.741 -4.844 1.00 0.00 C ATOM 1113 O GLU A 72 -0.354 -6.364 -6.000 1.00 0.00 O ATOM 1114 CB GLU A 72 0.945 -8.763 -4.067 1.00 0.00 C ATOM 1115 CG GLU A 72 2.353 -9.336 -4.266 1.00 0.00 C ATOM 1116 CD GLU A 72 3.244 -8.951 -3.080 1.00 0.00 C ATOM 1117 OE1 GLU A 72 3.690 -7.815 -3.041 1.00 0.00 O ATOM 1118 OE2 GLU A 72 3.468 -9.800 -2.232 1.00 0.00 O ATOM 0 H GLU A 72 1.394 -7.263 -2.115 1.00 0.00 H new ATOM 0 HA GLU A 72 1.827 -6.957 -4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.566 -9.038 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.262 -9.189 -4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.304 -10.421 -4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.782 -8.956 -5.193 1.00 0.00 H new ATOM 1125 N GLU A 73 -1.389 -6.727 -4.087 1.00 0.00 N ATOM 1126 CA GLU A 73 -2.691 -6.242 -4.630 1.00 0.00 C ATOM 1127 C GLU A 73 -2.553 -4.764 -5.006 1.00 0.00 C ATOM 1128 O GLU A 73 -3.047 -4.325 -6.027 1.00 0.00 O ATOM 1129 CB GLU A 73 -3.781 -6.401 -3.563 1.00 0.00 C ATOM 1130 CG GLU A 73 -5.157 -6.141 -4.187 1.00 0.00 C ATOM 1131 CD GLU A 73 -6.234 -6.223 -3.102 1.00 0.00 C ATOM 1132 OE1 GLU A 73 -6.729 -7.313 -2.868 1.00 0.00 O ATOM 1133 OE2 GLU A 73 -6.546 -5.194 -2.525 1.00 0.00 O ATOM 0 H GLU A 73 -1.414 -7.032 -3.114 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.964 -6.823 -5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.746 -7.405 -3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.605 -5.704 -2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.175 -5.158 -4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.357 -6.873 -4.969 1.00 0.00 H new ATOM 1140 N LEU A 74 -1.872 -3.995 -4.191 1.00 0.00 N ATOM 1141 CA LEU A 74 -1.686 -2.549 -4.506 1.00 0.00 C ATOM 1142 C LEU A 74 -1.017 -2.426 -5.876 1.00 0.00 C ATOM 1143 O LEU A 74 -1.439 -1.659 -6.713 1.00 0.00 O ATOM 1144 CB LEU A 74 -0.806 -1.892 -3.428 1.00 0.00 C ATOM 1145 CG LEU A 74 -0.183 -0.593 -3.964 1.00 0.00 C ATOM 1146 CD1 LEU A 74 -1.283 0.435 -4.241 1.00 0.00 C ATOM 1147 CD2 LEU A 74 0.790 -0.030 -2.925 1.00 0.00 C ATOM 0 H LEU A 74 -1.438 -4.308 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.652 -2.044 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.404 -1.678 -2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.019 -2.581 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 74 0.351 -0.806 -4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.835 1.353 -4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.976 0.036 -4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.822 0.649 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.233 0.891 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.253 0.179 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.577 -0.758 -2.732 1.00 0.00 H new ATOM 1159 N TYR A 75 0.016 -3.196 -6.113 1.00 0.00 N ATOM 1160 CA TYR A 75 0.706 -3.141 -7.433 1.00 0.00 C ATOM 1161 C TYR A 75 -0.259 -3.615 -8.521 1.00 0.00 C ATOM 1162 O TYR A 75 -0.234 -3.142 -9.639 1.00 0.00 O ATOM 1163 CB TYR A 75 1.930 -4.063 -7.411 1.00 0.00 C ATOM 1164 CG TYR A 75 2.981 -3.500 -6.480 1.00 0.00 C ATOM 1165 CD1 TYR A 75 3.567 -2.257 -6.752 1.00 0.00 C ATOM 1166 CD2 TYR A 75 3.377 -4.226 -5.349 1.00 0.00 C ATOM 1167 CE1 TYR A 75 4.545 -1.742 -5.895 1.00 0.00 C ATOM 1168 CE2 TYR A 75 4.354 -3.709 -4.491 1.00 0.00 C ATOM 1169 CZ TYR A 75 4.939 -2.467 -4.765 1.00 0.00 C ATOM 1170 OH TYR A 75 5.906 -1.960 -3.923 1.00 0.00 O ATOM 0 H TYR A 75 0.410 -3.860 -5.447 1.00 0.00 H new ATOM 0 HA TYR A 75 1.024 -2.119 -7.636 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.639 -5.061 -7.084 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.339 -4.164 -8.416 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.264 -1.696 -7.624 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.928 -5.185 -5.139 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.997 -0.784 -6.106 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.657 -4.268 -3.618 1.00 0.00 H new ATOM 0 HH TYR A 75 5.518 -1.801 -3.037 1.00 0.00 H new ATOM 1180 N ARG A 76 -1.112 -4.548 -8.190 1.00 0.00 N ATOM 1181 CA ARG A 76 -2.088 -5.065 -9.191 1.00 0.00 C ATOM 1182 C ARG A 76 -3.025 -3.932 -9.621 1.00 0.00 C ATOM 1183 O ARG A 76 -2.907 -3.401 -10.710 1.00 0.00 O ATOM 1184 CB ARG A 76 -2.901 -6.206 -8.571 1.00 0.00 C ATOM 1185 CG ARG A 76 -3.695 -6.926 -9.665 1.00 0.00 C ATOM 1186 CD ARG A 76 -4.606 -7.979 -9.028 1.00 0.00 C ATOM 1187 NE ARG A 76 -3.776 -9.089 -8.473 1.00 0.00 N ATOM 1188 CZ ARG A 76 -3.127 -9.890 -9.277 1.00 0.00 C ATOM 1189 NH1 ARG A 76 -3.678 -10.288 -10.391 1.00 0.00 N ATOM 1190 NH2 ARG A 76 -1.926 -10.292 -8.965 1.00 0.00 N ATOM 0 H ARG A 76 -1.174 -4.975 -7.266 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.553 -5.440 -10.064 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.236 -6.908 -8.069 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.580 -5.813 -7.814 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.291 -6.208 -10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.013 -7.399 -10.372 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.203 -7.527 -8.236 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.303 -8.368 -9.770 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.715 -9.223 -7.464 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.617 -9.974 -10.636 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.170 -10.913 -11.017 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.494 -9.981 -8.095 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.419 -10.917 -9.591 1.00 0.00 H new ATOM 1204 N LEU A 77 -3.958 -3.564 -8.779 1.00 0.00 N ATOM 1205 CA LEU A 77 -4.910 -2.471 -9.136 1.00 0.00 C ATOM 1206 C LEU A 77 -4.132 -1.244 -9.619 1.00 0.00 C ATOM 1207 O LEU A 77 -4.569 -0.534 -10.500 1.00 0.00 O ATOM 1208 CB LEU A 77 -5.750 -2.096 -7.909 1.00 0.00 C ATOM 1209 CG LEU A 77 -6.890 -3.108 -7.715 1.00 0.00 C ATOM 1210 CD1 LEU A 77 -7.802 -3.112 -8.946 1.00 0.00 C ATOM 1211 CD2 LEU A 77 -6.312 -4.513 -7.501 1.00 0.00 C ATOM 0 H LEU A 77 -4.101 -3.976 -7.857 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.569 -2.816 -9.933 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.119 -2.074 -7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.161 -1.094 -8.033 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.470 -2.820 -6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.607 -3.832 -8.800 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.226 -2.118 -9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.223 -3.389 -9.827 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.126 -5.224 -7.364 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.722 -4.800 -8.371 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.677 -4.514 -6.615 1.00 0.00 H new ATOM 1223 N LEU A 78 -2.977 -0.993 -9.056 1.00 0.00 N ATOM 1224 CA LEU A 78 -2.169 0.185 -9.495 1.00 0.00 C ATOM 1225 C LEU A 78 -1.743 -0.018 -10.950 1.00 0.00 C ATOM 1226 O LEU A 78 -2.129 0.732 -11.826 1.00 0.00 O ATOM 1227 CB LEU A 78 -0.931 0.311 -8.601 1.00 0.00 C ATOM 1228 CG LEU A 78 -0.122 1.554 -8.987 1.00 0.00 C ATOM 1229 CD1 LEU A 78 0.459 2.194 -7.724 1.00 0.00 C ATOM 1230 CD2 LEU A 78 1.023 1.151 -9.922 1.00 0.00 C ATOM 0 H LEU A 78 -2.559 -1.552 -8.312 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.762 1.096 -9.415 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.234 0.376 -7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.311 -0.580 -8.699 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.773 2.266 -9.494 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.035 3.078 -7.996 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.352 2.481 -7.055 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.109 1.479 -7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.598 2.036 -10.196 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.673 0.439 -9.415 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.614 0.692 -10.822 1.00 0.00 H new ATOM 1242 N GLU A 79 -0.948 -1.027 -11.210 1.00 0.00 N ATOM 1243 CA GLU A 79 -0.487 -1.290 -12.608 1.00 0.00 C ATOM 1244 C GLU A 79 -1.692 -1.265 -13.555 1.00 0.00 C ATOM 1245 O GLU A 79 -1.569 -0.946 -14.722 1.00 0.00 O ATOM 1246 CB GLU A 79 0.190 -2.663 -12.675 1.00 0.00 C ATOM 1247 CG GLU A 79 1.579 -2.583 -12.028 1.00 0.00 C ATOM 1248 CD GLU A 79 2.144 -3.996 -11.853 1.00 0.00 C ATOM 1249 OE1 GLU A 79 1.699 -4.685 -10.949 1.00 0.00 O ATOM 1250 OE2 GLU A 79 3.014 -4.365 -12.624 1.00 0.00 O ATOM 0 H GLU A 79 -0.597 -1.682 -10.511 1.00 0.00 H new ATOM 0 HA GLU A 79 0.226 -0.521 -12.907 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.420 -3.406 -12.161 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.279 -2.986 -13.712 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.247 -1.987 -12.649 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.513 -2.084 -11.061 1.00 0.00 H new ATOM 1257 N ALA A 80 -2.861 -1.574 -13.051 1.00 0.00 N ATOM 1258 CA ALA A 80 -4.079 -1.539 -13.912 1.00 0.00 C ATOM 1259 C ALA A 80 -4.579 -0.094 -13.964 1.00 0.00 C ATOM 1260 O ALA A 80 -4.565 0.537 -15.003 1.00 0.00 O ATOM 1261 CB ALA A 80 -5.161 -2.441 -13.311 1.00 0.00 C ATOM 0 H ALA A 80 -3.023 -1.848 -12.082 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.846 -1.895 -14.916 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.049 -2.413 -13.942 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.790 -3.464 -13.251 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.415 -2.088 -12.311 1.00 0.00 H new ATOM 1267 N ARG A 81 -5.018 0.426 -12.842 1.00 0.00 N ATOM 1268 CA ARG A 81 -5.519 1.833 -12.794 1.00 0.00 C ATOM 1269 C ARG A 81 -4.600 2.722 -13.639 1.00 0.00 C ATOM 1270 O ARG A 81 -5.053 3.479 -14.476 1.00 0.00 O ATOM 1271 CB ARG A 81 -5.521 2.328 -11.343 1.00 0.00 C ATOM 1272 CG ARG A 81 -6.591 3.412 -11.165 1.00 0.00 C ATOM 1273 CD ARG A 81 -6.138 4.704 -11.850 1.00 0.00 C ATOM 1274 NE ARG A 81 -6.659 5.878 -11.095 1.00 0.00 N ATOM 1275 CZ ARG A 81 -6.607 7.072 -11.623 1.00 0.00 C ATOM 1276 NH1 ARG A 81 -5.612 7.401 -12.401 1.00 0.00 N ATOM 1277 NH2 ARG A 81 -7.550 7.937 -11.371 1.00 0.00 N ATOM 0 H ARG A 81 -5.050 -0.070 -11.951 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.534 1.875 -13.189 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.717 1.497 -10.666 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.540 2.726 -11.084 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.537 3.076 -11.591 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.765 3.593 -10.104 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.050 4.742 -11.895 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.501 4.729 -12.878 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.057 5.749 -10.165 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.873 6.726 -12.598 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.573 8.334 -12.812 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.327 7.681 -10.762 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.510 8.869 -11.783 1.00 0.00 H new ATOM 1291 N THR A 82 -3.310 2.614 -13.442 1.00 0.00 N ATOM 1292 CA THR A 82 -2.359 3.431 -14.250 1.00 0.00 C ATOM 1293 C THR A 82 -2.449 2.974 -15.706 1.00 0.00 C ATOM 1294 O THR A 82 -2.630 3.767 -16.610 1.00 0.00 O ATOM 1295 CB THR A 82 -0.929 3.222 -13.734 1.00 0.00 C ATOM 1296 OG1 THR A 82 -0.602 1.841 -13.785 1.00 0.00 O ATOM 1297 CG2 THR A 82 -0.825 3.721 -12.290 1.00 0.00 C ATOM 0 H THR A 82 -2.876 1.995 -12.757 1.00 0.00 H new ATOM 0 HA THR A 82 -2.612 4.488 -14.170 1.00 0.00 H new ATOM 0 HB THR A 82 -0.234 3.782 -14.360 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.064 1.369 -13.061 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.191 3.572 -11.926 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.071 4.782 -12.253 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.521 3.165 -11.662 1.00 0.00 H new ATOM 1305 N GLY A 83 -2.326 1.694 -15.930 1.00 0.00 N ATOM 1306 CA GLY A 83 -2.405 1.158 -17.317 1.00 0.00 C ATOM 1307 C GLY A 83 -1.020 1.207 -17.959 1.00 0.00 C ATOM 1308 O GLY A 83 -0.883 1.123 -19.164 1.00 0.00 O ATOM 0 H GLY A 83 -2.173 0.992 -15.206 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.775 0.133 -17.302 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.112 1.743 -17.905 1.00 0.00 H new ATOM 1312 N LYS A 84 0.011 1.332 -17.163 1.00 0.00 N ATOM 1313 CA LYS A 84 1.395 1.376 -17.719 1.00 0.00 C ATOM 1314 C LYS A 84 2.355 0.766 -16.692 1.00 0.00 C ATOM 1315 O LYS A 84 2.076 0.753 -15.508 1.00 0.00 O ATOM 1316 CB LYS A 84 1.795 2.830 -17.999 1.00 0.00 C ATOM 1317 CG LYS A 84 3.035 2.862 -18.902 1.00 0.00 C ATOM 1318 CD LYS A 84 2.698 3.560 -20.224 1.00 0.00 C ATOM 1319 CE LYS A 84 1.978 2.581 -21.156 1.00 0.00 C ATOM 1320 NZ LYS A 84 1.643 3.268 -22.435 1.00 0.00 N ATOM 0 H LYS A 84 -0.048 1.406 -16.147 1.00 0.00 H new ATOM 0 HA LYS A 84 1.439 0.812 -18.651 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.971 3.358 -18.479 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.002 3.347 -17.062 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.848 3.387 -18.400 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.382 1.847 -19.095 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.068 4.429 -20.037 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.610 3.924 -20.697 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.611 1.715 -21.351 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.070 2.211 -20.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.154 2.604 -23.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.024 4.081 -22.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.517 3.600 -22.890 1.00 0.00 H new ATOM 1334 N LYS A 85 3.476 0.258 -17.133 1.00 0.00 N ATOM 1335 CA LYS A 85 4.448 -0.356 -16.179 1.00 0.00 C ATOM 1336 C LYS A 85 4.927 0.701 -15.177 1.00 0.00 C ATOM 1337 O LYS A 85 5.816 1.482 -15.459 1.00 0.00 O ATOM 1338 CB LYS A 85 5.648 -0.930 -16.947 1.00 0.00 C ATOM 1339 CG LYS A 85 6.051 0.013 -18.088 1.00 0.00 C ATOM 1340 CD LYS A 85 7.292 -0.541 -18.794 1.00 0.00 C ATOM 1341 CE LYS A 85 7.859 0.518 -19.742 1.00 0.00 C ATOM 1342 NZ LYS A 85 8.787 -0.128 -20.712 1.00 0.00 N ATOM 0 H LYS A 85 3.761 0.241 -18.112 1.00 0.00 H new ATOM 0 HA LYS A 85 3.955 -1.165 -15.639 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.489 -1.071 -16.268 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.395 -1.911 -17.349 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.230 0.114 -18.798 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.257 1.009 -17.696 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.045 -0.826 -18.059 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.034 -1.442 -19.351 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.049 1.016 -20.274 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.386 1.285 -19.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.172 0.592 -21.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.567 -0.584 -20.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.271 -0.844 -21.262 1.00 0.00 H new ATOM 1356 N ALA A 86 4.339 0.727 -14.008 1.00 0.00 N ATOM 1357 CA ALA A 86 4.748 1.726 -12.975 1.00 0.00 C ATOM 1358 C ALA A 86 6.241 1.571 -12.672 1.00 0.00 C ATOM 1359 O ALA A 86 6.930 2.535 -12.398 1.00 0.00 O ATOM 1360 CB ALA A 86 3.943 1.488 -11.696 1.00 0.00 C ATOM 0 H ALA A 86 3.590 0.096 -13.724 1.00 0.00 H new ATOM 0 HA ALA A 86 4.558 2.733 -13.348 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.238 2.215 -10.940 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.880 1.598 -11.909 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.136 0.481 -11.326 1.00 0.00 H new