USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 648 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 60 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 88 MET CE :methyl 180:sc= -1.14 (180deg=-1.14) USER MOD Set 2.1: A 35 LYS NZ :NH3+ 162:sc= 1.27 (180deg=0) USER MOD Set 2.2: A 67 ASN : amide:sc= 1.03 K(o=2.3,f=-9.6!) USER MOD Single : A 7 GLN : amide:sc= -1.35 X(o=-1.3,f=-1.5) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= -1.19 (180deg=-2.11!) USER MOD Single : A 15 THR OG1 : rot 170:sc= -0.296 USER MOD Single : A 18 SER OG : rot -107:sc= 0.858 USER MOD Single : A 23 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.19) USER MOD Single : A 29 THR OG1 : rot -101:sc= -1.91! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00688 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 40 SER OG : rot 94:sc= 1.3 USER MOD Single : A 46 LYS NZ :NH3+ -172:sc= 1.22 (180deg=1.05) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 51 LYS NZ :NH3+ 141:sc= 1.19 (180deg=0.647) USER MOD Single : A 52 THR OG1 : rot 25:sc= 1.27 USER MOD Single : A 54 LYS NZ :NH3+ 172:sc=-0.00441 (180deg=-0.0974) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 67:sc= 0.475 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00422 USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= -0.0261 (180deg=-0.207) USER MOD Single : A 74 TYR OH : rot 180:sc= 0.136 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HE2:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 93 GLN : amide:sc= -0.492 X(o=-0.49,f=-0.0046) USER MOD ----------------------------------------------------------------- ATOM 89 N GLN A 7 11.392 -3.435 1.093 1.00 0.00 N ATOM 90 CA GLN A 7 11.861 -3.562 2.435 1.00 0.00 C ATOM 91 C GLN A 7 12.675 -4.835 2.476 1.00 0.00 C ATOM 92 O GLN A 7 12.600 -5.626 1.540 1.00 0.00 O ATOM 93 CB GLN A 7 10.672 -3.649 3.382 1.00 0.00 C ATOM 94 CG GLN A 7 9.756 -2.436 3.314 1.00 0.00 C ATOM 95 CD GLN A 7 8.533 -2.556 4.196 1.00 0.00 C ATOM 96 OE1 GLN A 7 8.041 -3.650 4.456 1.00 0.00 O ATOM 97 NE2 GLN A 7 8.016 -1.437 4.633 1.00 0.00 N ATOM 0 HA GLN A 7 12.463 -2.707 2.742 1.00 0.00 H new ATOM 0 HB2 GLN A 7 10.095 -4.544 3.148 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.037 -3.763 4.403 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.318 -1.549 3.604 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.437 -2.288 2.282 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.453 -0.546 4.396 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.176 -1.455 5.211 1.00 0.00 H new ATOM 106 N LEU A 8 13.446 -5.037 3.496 1.00 0.00 N ATOM 107 CA LEU A 8 14.280 -6.216 3.543 1.00 0.00 C ATOM 108 C LEU A 8 13.727 -7.271 4.463 1.00 0.00 C ATOM 109 O LEU A 8 13.251 -6.965 5.543 1.00 0.00 O ATOM 110 CB LEU A 8 15.729 -5.902 3.881 1.00 0.00 C ATOM 111 CG LEU A 8 16.502 -5.035 2.873 1.00 0.00 C ATOM 112 CD1 LEU A 8 16.098 -3.568 2.939 1.00 0.00 C ATOM 113 CD2 LEU A 8 17.982 -5.206 3.048 1.00 0.00 C ATOM 0 H LEU A 8 13.523 -4.416 4.302 1.00 0.00 H new ATOM 0 HA LEU A 8 14.270 -6.622 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.752 -5.400 4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 8 16.263 -6.845 3.998 1.00 0.00 H new ATOM 0 HG LEU A 8 16.234 -5.384 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.673 -2.999 2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.035 -3.473 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.297 -3.180 3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 8 18.508 -4.583 2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 8 18.266 -4.908 4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 8 18.249 -6.251 2.889 1.00 0.00 H new ATOM 125 N GLU A 9 13.801 -8.514 4.050 1.00 0.00 N ATOM 126 CA GLU A 9 13.240 -9.568 4.837 1.00 0.00 C ATOM 127 C GLU A 9 14.236 -10.117 5.825 1.00 0.00 C ATOM 128 O GLU A 9 15.412 -10.367 5.509 1.00 0.00 O ATOM 129 CB GLU A 9 12.704 -10.733 4.004 1.00 0.00 C ATOM 130 CG GLU A 9 11.507 -10.456 3.096 1.00 0.00 C ATOM 131 CD GLU A 9 11.812 -9.557 1.933 1.00 0.00 C ATOM 132 OE1 GLU A 9 12.535 -9.996 1.013 1.00 0.00 O ATOM 133 OE2 GLU A 9 11.304 -8.445 1.885 1.00 0.00 O ATOM 0 H GLU A 9 14.242 -8.811 3.180 1.00 0.00 H new ATOM 0 HA GLU A 9 12.403 -9.105 5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.519 -11.106 3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.430 -11.537 4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.125 -11.404 2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.711 -10.006 3.690 1.00 0.00 H new ATOM 140 N ILE A 10 13.761 -10.295 7.014 1.00 0.00 N ATOM 141 CA ILE A 10 14.526 -10.833 8.091 1.00 0.00 C ATOM 142 C ILE A 10 13.786 -12.041 8.642 1.00 0.00 C ATOM 143 O ILE A 10 12.554 -12.024 8.733 1.00 0.00 O ATOM 144 CB ILE A 10 14.698 -9.780 9.236 1.00 0.00 C ATOM 145 CG1 ILE A 10 15.322 -8.477 8.683 1.00 0.00 C ATOM 146 CG2 ILE A 10 15.545 -10.349 10.366 1.00 0.00 C ATOM 147 CD1 ILE A 10 15.539 -7.396 9.718 1.00 0.00 C ATOM 0 H ILE A 10 12.801 -10.063 7.271 1.00 0.00 H new ATOM 0 HA ILE A 10 15.514 -11.109 7.724 1.00 0.00 H new ATOM 0 HB ILE A 10 13.713 -9.543 9.638 1.00 0.00 H new ATOM 0 HG12 ILE A 10 16.279 -8.716 8.220 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.676 -8.085 7.897 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.653 -9.601 11.152 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.060 -11.236 10.773 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.530 -10.617 9.983 1.00 0.00 H new ATOM 0 HD11 ILE A 10 15.980 -6.520 9.242 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.583 -7.124 10.166 1.00 0.00 H new ATOM 0 HD13 ILE A 10 16.211 -7.764 10.493 1.00 0.00 H new ATOM 159 N LYS A 11 14.506 -13.082 8.967 1.00 0.00 N ATOM 160 CA LYS A 11 13.906 -14.233 9.589 1.00 0.00 C ATOM 161 C LYS A 11 14.476 -14.420 10.971 1.00 0.00 C ATOM 162 O LYS A 11 15.669 -14.169 11.205 1.00 0.00 O ATOM 163 CB LYS A 11 14.067 -15.535 8.795 1.00 0.00 C ATOM 164 CG LYS A 11 15.495 -15.929 8.451 1.00 0.00 C ATOM 165 CD LYS A 11 15.637 -17.425 8.047 1.00 0.00 C ATOM 166 CE LYS A 11 14.667 -17.889 6.940 1.00 0.00 C ATOM 167 NZ LYS A 11 13.257 -18.050 7.421 1.00 0.00 N ATOM 0 H LYS A 11 15.511 -13.157 8.811 1.00 0.00 H new ATOM 0 HA LYS A 11 12.836 -14.027 9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.614 -16.345 9.367 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.502 -15.445 7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.851 -15.303 7.633 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.137 -15.728 9.309 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.659 -17.601 7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.480 -18.043 8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.685 -17.167 6.124 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.016 -18.838 6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.740 -18.680 6.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.261 -18.461 8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.791 -17.121 7.446 1.00 0.00 H new ATOM 181 N PHE A 12 13.654 -14.860 11.869 1.00 0.00 N ATOM 182 CA PHE A 12 14.059 -15.037 13.234 1.00 0.00 C ATOM 183 C PHE A 12 14.312 -16.498 13.530 1.00 0.00 C ATOM 184 O PHE A 12 13.462 -17.337 13.270 1.00 0.00 O ATOM 185 CB PHE A 12 12.974 -14.517 14.172 1.00 0.00 C ATOM 186 CG PHE A 12 12.638 -13.063 13.987 1.00 0.00 C ATOM 187 CD1 PHE A 12 13.451 -12.081 14.520 1.00 0.00 C ATOM 188 CD2 PHE A 12 11.501 -12.683 13.292 1.00 0.00 C ATOM 189 CE1 PHE A 12 13.142 -10.749 14.366 1.00 0.00 C ATOM 190 CE2 PHE A 12 11.186 -11.352 13.133 1.00 0.00 C ATOM 191 CZ PHE A 12 12.009 -10.383 13.671 1.00 0.00 C ATOM 0 H PHE A 12 12.683 -15.108 11.681 1.00 0.00 H new ATOM 0 HA PHE A 12 14.981 -14.477 13.391 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.070 -15.108 14.025 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.294 -14.675 15.202 1.00 0.00 H new ATOM 0 HD1 PHE A 12 14.340 -12.363 15.064 1.00 0.00 H new ATOM 0 HD2 PHE A 12 10.855 -13.439 12.871 1.00 0.00 H new ATOM 0 HE1 PHE A 12 13.786 -9.992 14.789 1.00 0.00 H new ATOM 0 HE2 PHE A 12 10.298 -11.067 12.589 1.00 0.00 H new ATOM 0 HZ PHE A 12 11.765 -9.338 13.547 1.00 0.00 H new ATOM 201 N ARG A 13 15.479 -16.798 14.040 1.00 0.00 N ATOM 202 CA ARG A 13 15.819 -18.141 14.460 1.00 0.00 C ATOM 203 C ARG A 13 15.613 -18.228 15.953 1.00 0.00 C ATOM 204 O ARG A 13 16.246 -17.488 16.700 1.00 0.00 O ATOM 205 CB ARG A 13 17.291 -18.449 14.168 1.00 0.00 C ATOM 206 CG ARG A 13 17.720 -18.353 12.716 1.00 0.00 C ATOM 207 CD ARG A 13 16.977 -19.327 11.812 1.00 0.00 C ATOM 208 NE ARG A 13 17.154 -20.736 12.218 1.00 0.00 N ATOM 209 CZ ARG A 13 16.836 -21.810 11.464 1.00 0.00 C ATOM 210 NH1 ARG A 13 16.451 -21.660 10.196 1.00 0.00 N ATOM 211 NH2 ARG A 13 16.944 -23.025 11.972 1.00 0.00 N ATOM 0 H ARG A 13 16.226 -16.117 14.178 1.00 0.00 H new ATOM 0 HA ARG A 13 15.193 -18.852 13.920 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.907 -17.766 14.753 1.00 0.00 H new ATOM 0 HB3 ARG A 13 17.507 -19.457 14.523 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.554 -17.336 12.360 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.791 -18.545 12.646 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.915 -19.083 11.818 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.326 -19.203 10.787 1.00 0.00 H new ATOM 0 HE ARG A 13 17.548 -20.912 13.142 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.395 -20.727 9.787 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.213 -22.478 9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.267 -23.150 12.931 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.704 -23.838 11.405 1.00 0.00 H new ATOM 225 N LEU A 14 14.752 -19.095 16.388 1.00 0.00 N ATOM 226 CA LEU A 14 14.487 -19.262 17.800 1.00 0.00 C ATOM 227 C LEU A 14 15.544 -20.162 18.426 1.00 0.00 C ATOM 228 O LEU A 14 16.259 -20.872 17.712 1.00 0.00 O ATOM 229 CB LEU A 14 13.089 -19.859 18.044 1.00 0.00 C ATOM 230 CG LEU A 14 11.858 -19.029 17.627 1.00 0.00 C ATOM 231 CD1 LEU A 14 11.899 -17.615 18.178 1.00 0.00 C ATOM 232 CD2 LEU A 14 11.614 -19.037 16.136 1.00 0.00 C ATOM 0 H LEU A 14 14.209 -19.710 15.782 1.00 0.00 H new ATOM 0 HA LEU A 14 14.522 -18.276 18.264 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.039 -20.814 17.521 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.000 -20.074 19.109 1.00 0.00 H new ATOM 0 HG LEU A 14 11.003 -19.529 18.082 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.010 -17.073 17.855 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.928 -17.650 19.267 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.789 -17.106 17.808 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.734 -18.435 15.908 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.481 -18.621 15.623 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.450 -20.061 15.800 1.00 0.00 H new ATOM 244 N THR A 15 15.625 -20.160 19.748 1.00 0.00 N ATOM 245 CA THR A 15 16.597 -20.975 20.474 1.00 0.00 C ATOM 246 C THR A 15 16.262 -22.463 20.371 1.00 0.00 C ATOM 247 O THR A 15 17.109 -23.330 20.592 1.00 0.00 O ATOM 248 CB THR A 15 16.676 -20.548 21.954 1.00 0.00 C ATOM 249 OG1 THR A 15 15.357 -20.482 22.525 1.00 0.00 O ATOM 250 CG2 THR A 15 17.359 -19.204 22.103 1.00 0.00 C ATOM 0 H THR A 15 15.023 -19.597 20.349 1.00 0.00 H new ATOM 0 HA THR A 15 17.571 -20.813 20.012 1.00 0.00 H new ATOM 0 HB THR A 15 17.266 -21.296 22.484 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.426 -20.370 23.496 1.00 0.00 H new ATOM 0 HG21 THR A 15 17.399 -18.931 23.158 1.00 0.00 H new ATOM 0 HG22 THR A 15 18.372 -19.265 21.705 1.00 0.00 H new ATOM 0 HG23 THR A 15 16.798 -18.448 21.554 1.00 0.00 H new ATOM 258 N ASP A 16 15.039 -22.725 19.980 1.00 0.00 N ATOM 259 CA ASP A 16 14.512 -24.075 19.818 1.00 0.00 C ATOM 260 C ASP A 16 15.001 -24.690 18.501 1.00 0.00 C ATOM 261 O ASP A 16 14.839 -25.881 18.252 1.00 0.00 O ATOM 262 CB ASP A 16 12.975 -23.992 19.824 1.00 0.00 C ATOM 263 CG ASP A 16 12.279 -25.309 19.603 1.00 0.00 C ATOM 264 OD1 ASP A 16 12.194 -26.114 20.561 1.00 0.00 O ATOM 265 OD2 ASP A 16 11.805 -25.555 18.468 1.00 0.00 O ATOM 0 H ASP A 16 14.361 -21.996 19.759 1.00 0.00 H new ATOM 0 HA ASP A 16 14.861 -24.709 20.633 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.650 -23.579 20.779 1.00 0.00 H new ATOM 0 HB3 ASP A 16 12.658 -23.293 19.050 1.00 0.00 H new ATOM 270 N GLY A 17 15.629 -23.872 17.684 1.00 0.00 N ATOM 271 CA GLY A 17 16.157 -24.339 16.423 1.00 0.00 C ATOM 272 C GLY A 17 15.148 -24.220 15.308 1.00 0.00 C ATOM 273 O GLY A 17 15.403 -24.620 14.177 1.00 0.00 O ATOM 0 H GLY A 17 15.786 -22.882 17.871 1.00 0.00 H new ATOM 0 HA2 GLY A 17 17.048 -23.765 16.168 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.466 -25.380 16.523 1.00 0.00 H new ATOM 277 N SER A 18 14.020 -23.672 15.624 1.00 0.00 N ATOM 278 CA SER A 18 12.992 -23.435 14.668 1.00 0.00 C ATOM 279 C SER A 18 13.057 -21.975 14.259 1.00 0.00 C ATOM 280 O SER A 18 13.607 -21.159 15.007 1.00 0.00 O ATOM 281 CB SER A 18 11.644 -23.826 15.295 1.00 0.00 C ATOM 282 OG SER A 18 11.546 -23.348 16.642 1.00 0.00 O ATOM 0 H SER A 18 13.785 -23.372 16.570 1.00 0.00 H new ATOM 0 HA SER A 18 13.117 -24.037 13.768 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.829 -23.415 14.699 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.533 -24.910 15.281 1.00 0.00 H new ATOM 0 HG SER A 18 11.633 -24.101 17.263 1.00 0.00 H new ATOM 288 N ASP A 19 12.582 -21.627 13.084 1.00 0.00 N ATOM 289 CA ASP A 19 12.642 -20.264 12.683 1.00 0.00 C ATOM 290 C ASP A 19 11.283 -19.748 12.295 1.00 0.00 C ATOM 291 O ASP A 19 10.321 -20.516 12.158 1.00 0.00 O ATOM 292 CB ASP A 19 13.622 -20.058 11.531 1.00 0.00 C ATOM 293 CG ASP A 19 13.144 -20.541 10.179 1.00 0.00 C ATOM 294 OD1 ASP A 19 13.238 -21.735 9.889 1.00 0.00 O ATOM 295 OD2 ASP A 19 12.690 -19.708 9.374 1.00 0.00 O ATOM 0 H ASP A 19 12.160 -22.265 12.409 1.00 0.00 H new ATOM 0 HA ASP A 19 12.999 -19.698 13.543 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.852 -18.995 11.458 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.553 -20.570 11.773 1.00 0.00 H new ATOM 300 N ILE A 20 11.209 -18.466 12.132 1.00 0.00 N ATOM 301 CA ILE A 20 10.008 -17.797 11.721 1.00 0.00 C ATOM 302 C ILE A 20 10.184 -17.381 10.274 1.00 0.00 C ATOM 303 O ILE A 20 11.301 -16.987 9.868 1.00 0.00 O ATOM 304 CB ILE A 20 9.728 -16.520 12.590 1.00 0.00 C ATOM 305 CG1 ILE A 20 9.646 -16.891 14.075 1.00 0.00 C ATOM 306 CG2 ILE A 20 8.436 -15.822 12.146 1.00 0.00 C ATOM 307 CD1 ILE A 20 9.381 -15.717 15.009 1.00 0.00 C ATOM 0 H ILE A 20 11.998 -17.837 12.283 1.00 0.00 H new ATOM 0 HA ILE A 20 9.163 -18.475 11.846 1.00 0.00 H new ATOM 0 HB ILE A 20 10.556 -15.827 12.445 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.856 -17.630 14.208 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.581 -17.368 14.369 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.267 -14.941 12.765 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.526 -15.520 11.102 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.596 -16.508 12.255 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.339 -16.073 16.038 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.183 -14.985 14.910 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.431 -15.251 14.747 1.00 0.00 H new ATOM 319 N GLY A 21 9.117 -17.509 9.493 1.00 0.00 N ATOM 320 CA GLY A 21 9.144 -17.095 8.112 1.00 0.00 C ATOM 321 C GLY A 21 9.569 -15.646 7.997 1.00 0.00 C ATOM 322 O GLY A 21 9.212 -14.832 8.859 1.00 0.00 O ATOM 0 H GLY A 21 8.226 -17.898 9.802 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.832 -17.727 7.551 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.157 -17.226 7.668 1.00 0.00 H new ATOM 326 N PRO A 22 10.333 -15.290 6.964 1.00 0.00 N ATOM 327 CA PRO A 22 10.875 -13.947 6.821 1.00 0.00 C ATOM 328 C PRO A 22 9.792 -12.868 6.793 1.00 0.00 C ATOM 329 O PRO A 22 8.723 -13.044 6.200 1.00 0.00 O ATOM 330 CB PRO A 22 11.636 -13.995 5.502 1.00 0.00 C ATOM 331 CG PRO A 22 11.073 -15.166 4.776 1.00 0.00 C ATOM 332 CD PRO A 22 10.708 -16.153 5.835 1.00 0.00 C ATOM 0 HA PRO A 22 11.503 -13.678 7.670 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.499 -13.075 4.934 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.707 -14.111 5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.201 -14.881 4.188 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.802 -15.586 4.083 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.883 -16.794 5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.544 -16.807 6.085 1.00 0.00 H new ATOM 340 N LYS A 23 10.090 -11.779 7.419 1.00 0.00 N ATOM 341 CA LYS A 23 9.188 -10.666 7.565 1.00 0.00 C ATOM 342 C LYS A 23 9.901 -9.478 6.931 1.00 0.00 C ATOM 343 O LYS A 23 11.123 -9.450 6.941 1.00 0.00 O ATOM 344 CB LYS A 23 9.001 -10.416 9.075 1.00 0.00 C ATOM 345 CG LYS A 23 7.893 -9.458 9.475 1.00 0.00 C ATOM 346 CD LYS A 23 6.537 -10.088 9.269 1.00 0.00 C ATOM 347 CE LYS A 23 5.417 -9.173 9.728 1.00 0.00 C ATOM 348 NZ LYS A 23 4.098 -9.834 9.627 1.00 0.00 N ATOM 0 H LYS A 23 10.996 -11.626 7.861 1.00 0.00 H new ATOM 0 HA LYS A 23 8.215 -10.835 7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.813 -11.375 9.558 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.941 -10.036 9.476 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.012 -9.174 10.521 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.967 -8.544 8.886 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.403 -10.326 8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.486 -11.029 9.817 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.594 -8.869 10.760 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.417 -8.266 9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.360 -9.192 9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.904 -10.071 8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.101 -10.704 10.196 1.00 0.00 H new ATOM 362 N ALA A 24 9.183 -8.530 6.381 1.00 0.00 N ATOM 363 CA ALA A 24 9.828 -7.407 5.700 1.00 0.00 C ATOM 364 C ALA A 24 10.013 -6.215 6.641 1.00 0.00 C ATOM 365 O ALA A 24 9.049 -5.761 7.282 1.00 0.00 O ATOM 366 CB ALA A 24 9.037 -7.008 4.462 1.00 0.00 C ATOM 0 H ALA A 24 8.163 -8.502 6.384 1.00 0.00 H new ATOM 0 HA ALA A 24 10.820 -7.730 5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.531 -6.171 3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.983 -7.854 3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.029 -6.713 4.754 1.00 0.00 H new ATOM 372 N PHE A 25 11.242 -5.733 6.740 1.00 0.00 N ATOM 373 CA PHE A 25 11.587 -4.609 7.592 1.00 0.00 C ATOM 374 C PHE A 25 12.385 -3.570 6.801 1.00 0.00 C ATOM 375 O PHE A 25 13.365 -3.906 6.133 1.00 0.00 O ATOM 376 CB PHE A 25 12.480 -5.054 8.753 1.00 0.00 C ATOM 377 CG PHE A 25 11.951 -6.166 9.595 1.00 0.00 C ATOM 378 CD1 PHE A 25 12.117 -7.460 9.188 1.00 0.00 C ATOM 379 CD2 PHE A 25 11.327 -5.924 10.802 1.00 0.00 C ATOM 380 CE1 PHE A 25 11.685 -8.500 9.945 1.00 0.00 C ATOM 381 CE2 PHE A 25 10.877 -6.978 11.571 1.00 0.00 C ATOM 382 CZ PHE A 25 11.069 -8.271 11.125 1.00 0.00 C ATOM 0 H PHE A 25 12.035 -6.116 6.225 1.00 0.00 H new ATOM 0 HA PHE A 25 10.651 -4.193 7.965 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.445 -5.359 8.347 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.662 -4.193 9.396 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.602 -7.659 8.244 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.191 -4.909 11.145 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.834 -9.514 9.603 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.380 -6.794 12.512 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.725 -9.102 11.722 1.00 0.00 H new ATOM 392 N PRO A 26 11.941 -2.331 6.818 1.00 0.00 N ATOM 393 CA PRO A 26 12.697 -1.196 6.285 1.00 0.00 C ATOM 394 C PRO A 26 14.028 -0.960 7.036 1.00 0.00 C ATOM 395 O PRO A 26 14.155 -1.281 8.220 1.00 0.00 O ATOM 396 CB PRO A 26 11.787 0.001 6.534 1.00 0.00 C ATOM 397 CG PRO A 26 10.432 -0.571 6.662 1.00 0.00 C ATOM 398 CD PRO A 26 10.618 -1.919 7.294 1.00 0.00 C ATOM 0 HA PRO A 26 12.958 -1.364 5.240 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.077 0.536 7.438 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.839 0.714 5.711 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.795 0.065 7.277 1.00 0.00 H new ATOM 0 HG3 PRO A 26 9.950 -0.658 5.688 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.581 -1.862 8.382 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.842 -2.620 6.985 1.00 0.00 H new ATOM 406 N ASP A 27 15.003 -0.414 6.325 1.00 0.00 N ATOM 407 CA ASP A 27 16.329 -0.041 6.885 1.00 0.00 C ATOM 408 C ASP A 27 16.211 0.797 8.164 1.00 0.00 C ATOM 409 O ASP A 27 17.013 0.644 9.102 1.00 0.00 O ATOM 410 CB ASP A 27 17.122 0.795 5.867 1.00 0.00 C ATOM 411 CG ASP A 27 17.578 0.035 4.659 1.00 0.00 C ATOM 412 OD1 ASP A 27 16.778 -0.137 3.709 1.00 0.00 O ATOM 413 OD2 ASP A 27 18.757 -0.359 4.615 1.00 0.00 O ATOM 0 H ASP A 27 14.912 -0.208 5.330 1.00 0.00 H new ATOM 0 HA ASP A 27 16.835 -0.979 7.114 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.503 1.631 5.542 1.00 0.00 H new ATOM 0 HB3 ASP A 27 17.994 1.219 6.365 1.00 0.00 H new ATOM 418 N ALA A 28 15.216 1.676 8.192 1.00 0.00 N ATOM 419 CA ALA A 28 15.032 2.614 9.297 1.00 0.00 C ATOM 420 C ALA A 28 14.317 1.997 10.501 1.00 0.00 C ATOM 421 O ALA A 28 14.187 2.641 11.538 1.00 0.00 O ATOM 422 CB ALA A 28 14.294 3.855 8.816 1.00 0.00 C ATOM 0 H ALA A 28 14.517 1.760 7.454 1.00 0.00 H new ATOM 0 HA ALA A 28 16.028 2.891 9.641 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.163 4.546 9.649 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.872 4.340 8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 28 13.318 3.569 8.425 1.00 0.00 H new ATOM 428 N THR A 29 13.851 0.777 10.359 1.00 0.00 N ATOM 429 CA THR A 29 13.185 0.084 11.445 1.00 0.00 C ATOM 430 C THR A 29 14.158 -0.176 12.613 1.00 0.00 C ATOM 431 O THR A 29 15.307 -0.573 12.400 1.00 0.00 O ATOM 432 CB THR A 29 12.583 -1.224 10.919 1.00 0.00 C ATOM 433 OG1 THR A 29 11.668 -0.893 9.884 1.00 0.00 O ATOM 434 CG2 THR A 29 11.854 -1.991 12.000 1.00 0.00 C ATOM 0 H THR A 29 13.921 0.238 9.496 1.00 0.00 H new ATOM 0 HA THR A 29 12.381 0.711 11.831 1.00 0.00 H new ATOM 0 HB THR A 29 13.390 -1.861 10.557 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.753 -0.928 10.233 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.444 -2.910 11.581 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.549 -2.237 12.803 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.043 -1.380 12.396 1.00 0.00 H new ATOM 442 N THR A 30 13.695 0.077 13.827 1.00 0.00 N ATOM 443 CA THR A 30 14.506 -0.073 15.011 1.00 0.00 C ATOM 444 C THR A 30 14.523 -1.518 15.503 1.00 0.00 C ATOM 445 O THR A 30 13.631 -2.301 15.183 1.00 0.00 O ATOM 446 CB THR A 30 13.986 0.841 16.140 1.00 0.00 C ATOM 447 OG1 THR A 30 12.599 0.546 16.396 1.00 0.00 O ATOM 448 CG2 THR A 30 14.138 2.307 15.764 1.00 0.00 C ATOM 0 H THR A 30 12.743 0.393 14.013 1.00 0.00 H new ATOM 0 HA THR A 30 15.523 0.214 14.744 1.00 0.00 H new ATOM 0 HB THR A 30 14.575 0.654 17.038 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.269 1.125 17.114 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.765 2.931 16.576 1.00 0.00 H new ATOM 0 HG22 THR A 30 15.190 2.531 15.589 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.568 2.511 14.858 1.00 0.00 H new ATOM 456 N VAL A 31 15.533 -1.851 16.287 1.00 0.00 N ATOM 457 CA VAL A 31 15.674 -3.169 16.894 1.00 0.00 C ATOM 458 C VAL A 31 14.518 -3.425 17.856 1.00 0.00 C ATOM 459 O VAL A 31 14.076 -4.569 18.043 1.00 0.00 O ATOM 460 CB VAL A 31 17.023 -3.285 17.634 1.00 0.00 C ATOM 461 CG1 VAL A 31 17.162 -4.647 18.305 1.00 0.00 C ATOM 462 CG2 VAL A 31 18.168 -3.054 16.663 1.00 0.00 C ATOM 0 H VAL A 31 16.289 -1.209 16.525 1.00 0.00 H new ATOM 0 HA VAL A 31 15.651 -3.921 16.105 1.00 0.00 H new ATOM 0 HB VAL A 31 17.057 -2.522 18.412 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.121 -4.703 18.819 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.355 -4.782 19.026 1.00 0.00 H new ATOM 0 HG13 VAL A 31 17.109 -5.432 17.550 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.117 -3.137 17.193 1.00 0.00 H new ATOM 0 HG22 VAL A 31 18.128 -3.800 15.870 1.00 0.00 H new ATOM 0 HG23 VAL A 31 18.081 -2.058 16.229 1.00 0.00 H new ATOM 472 N SER A 32 14.023 -2.357 18.449 1.00 0.00 N ATOM 473 CA SER A 32 12.872 -2.438 19.300 1.00 0.00 C ATOM 474 C SER A 32 11.682 -2.940 18.471 1.00 0.00 C ATOM 475 O SER A 32 10.941 -3.814 18.903 1.00 0.00 O ATOM 476 CB SER A 32 12.571 -1.064 19.914 1.00 0.00 C ATOM 477 OG SER A 32 11.489 -1.124 20.828 1.00 0.00 O ATOM 0 H SER A 32 14.410 -1.419 18.350 1.00 0.00 H new ATOM 0 HA SER A 32 13.060 -3.134 20.117 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.459 -0.691 20.425 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.338 -0.354 19.121 1.00 0.00 H new ATOM 0 HG SER A 32 11.326 -0.232 21.201 1.00 0.00 H new ATOM 483 N ALA A 33 11.558 -2.418 17.246 1.00 0.00 N ATOM 484 CA ALA A 33 10.491 -2.798 16.345 1.00 0.00 C ATOM 485 C ALA A 33 10.631 -4.261 15.902 1.00 0.00 C ATOM 486 O ALA A 33 9.629 -4.927 15.643 1.00 0.00 O ATOM 487 CB ALA A 33 10.425 -1.858 15.164 1.00 0.00 C ATOM 0 H ALA A 33 12.198 -1.723 16.862 1.00 0.00 H new ATOM 0 HA ALA A 33 9.547 -2.716 16.884 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.616 -2.163 14.501 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.242 -0.843 15.517 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.370 -1.888 14.621 1.00 0.00 H new ATOM 493 N LEU A 34 11.881 -4.761 15.812 1.00 0.00 N ATOM 494 CA LEU A 34 12.119 -6.198 15.579 1.00 0.00 C ATOM 495 C LEU A 34 11.423 -6.994 16.653 1.00 0.00 C ATOM 496 O LEU A 34 10.659 -7.912 16.371 1.00 0.00 O ATOM 497 CB LEU A 34 13.627 -6.549 15.608 1.00 0.00 C ATOM 498 CG LEU A 34 14.474 -6.349 14.335 1.00 0.00 C ATOM 499 CD1 LEU A 34 14.058 -7.333 13.259 1.00 0.00 C ATOM 500 CD2 LEU A 34 14.381 -4.942 13.793 1.00 0.00 C ATOM 0 H LEU A 34 12.728 -4.200 15.896 1.00 0.00 H new ATOM 0 HA LEU A 34 11.729 -6.442 14.591 1.00 0.00 H new ATOM 0 HB2 LEU A 34 14.085 -5.959 16.402 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.714 -7.596 15.898 1.00 0.00 H new ATOM 0 HG LEU A 34 15.511 -6.528 14.620 1.00 0.00 H new ATOM 0 HD11 LEU A 34 14.667 -7.177 12.368 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.201 -8.351 13.622 1.00 0.00 H new ATOM 0 HD13 LEU A 34 13.007 -7.180 13.012 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.996 -4.856 12.897 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.344 -4.716 13.545 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.736 -4.238 14.546 1.00 0.00 H new ATOM 512 N LYS A 35 11.663 -6.608 17.888 1.00 0.00 N ATOM 513 CA LYS A 35 11.078 -7.269 19.023 1.00 0.00 C ATOM 514 C LYS A 35 9.573 -7.091 19.060 1.00 0.00 C ATOM 515 O LYS A 35 8.860 -8.042 19.326 1.00 0.00 O ATOM 516 CB LYS A 35 11.746 -6.822 20.309 1.00 0.00 C ATOM 517 CG LYS A 35 13.214 -7.194 20.350 1.00 0.00 C ATOM 518 CD LYS A 35 13.886 -6.721 21.610 1.00 0.00 C ATOM 519 CE LYS A 35 15.345 -7.120 21.628 1.00 0.00 C ATOM 520 NZ LYS A 35 16.006 -6.685 22.865 1.00 0.00 N ATOM 0 H LYS A 35 12.271 -5.825 18.128 1.00 0.00 H new ATOM 0 HA LYS A 35 11.257 -8.339 18.921 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.644 -5.742 20.413 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.234 -7.274 21.159 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.315 -8.276 20.271 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.720 -6.763 19.486 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.801 -5.637 21.687 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.379 -7.143 22.478 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.429 -8.202 21.531 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.854 -6.682 20.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.890 -7.218 22.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.220 -5.669 22.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.377 -6.860 23.675 1.00 0.00 H new ATOM 534 N GLU A 36 9.097 -5.879 18.749 1.00 0.00 N ATOM 535 CA GLU A 36 7.661 -5.604 18.660 1.00 0.00 C ATOM 536 C GLU A 36 7.027 -6.558 17.651 1.00 0.00 C ATOM 537 O GLU A 36 5.933 -7.084 17.870 1.00 0.00 O ATOM 538 CB GLU A 36 7.413 -4.161 18.206 1.00 0.00 C ATOM 539 CG GLU A 36 7.951 -3.084 19.132 1.00 0.00 C ATOM 540 CD GLU A 36 7.318 -3.101 20.495 1.00 0.00 C ATOM 541 OE1 GLU A 36 6.270 -2.445 20.680 1.00 0.00 O ATOM 542 OE2 GLU A 36 7.854 -3.738 21.406 1.00 0.00 O ATOM 0 H GLU A 36 9.689 -5.072 18.554 1.00 0.00 H new ATOM 0 HA GLU A 36 7.218 -5.745 19.646 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.860 -4.026 17.221 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.339 -4.014 18.091 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.028 -3.211 19.238 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.788 -2.108 18.676 1.00 0.00 H new ATOM 549 N THR A 37 7.733 -6.787 16.556 1.00 0.00 N ATOM 550 CA THR A 37 7.307 -7.716 15.542 1.00 0.00 C ATOM 551 C THR A 37 7.260 -9.141 16.110 1.00 0.00 C ATOM 552 O THR A 37 6.267 -9.837 15.943 1.00 0.00 O ATOM 553 CB THR A 37 8.242 -7.660 14.309 1.00 0.00 C ATOM 554 OG1 THR A 37 8.230 -6.333 13.764 1.00 0.00 O ATOM 555 CG2 THR A 37 7.799 -8.642 13.235 1.00 0.00 C ATOM 0 H THR A 37 8.621 -6.328 16.352 1.00 0.00 H new ATOM 0 HA THR A 37 6.305 -7.431 15.221 1.00 0.00 H new ATOM 0 HB THR A 37 9.247 -7.931 14.631 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.711 -5.728 14.366 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.475 -8.579 12.383 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.817 -9.655 13.638 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.787 -8.397 12.914 1.00 0.00 H new ATOM 563 N VAL A 38 8.317 -9.541 16.820 1.00 0.00 N ATOM 564 CA VAL A 38 8.398 -10.876 17.408 1.00 0.00 C ATOM 565 C VAL A 38 7.217 -11.104 18.336 1.00 0.00 C ATOM 566 O VAL A 38 6.524 -12.105 18.226 1.00 0.00 O ATOM 567 CB VAL A 38 9.729 -11.094 18.200 1.00 0.00 C ATOM 568 CG1 VAL A 38 9.774 -12.481 18.835 1.00 0.00 C ATOM 569 CG2 VAL A 38 10.933 -10.904 17.298 1.00 0.00 C ATOM 0 H VAL A 38 9.132 -8.955 17.001 1.00 0.00 H new ATOM 0 HA VAL A 38 8.377 -11.593 16.587 1.00 0.00 H new ATOM 0 HB VAL A 38 9.761 -10.348 18.994 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.711 -12.602 19.378 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.937 -12.593 19.525 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.706 -13.240 18.056 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.846 -11.061 17.872 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.891 -11.622 16.479 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.928 -9.892 16.893 1.00 0.00 H new ATOM 579 N ILE A 39 6.974 -10.132 19.202 1.00 0.00 N ATOM 580 CA ILE A 39 5.888 -10.202 20.188 1.00 0.00 C ATOM 581 C ILE A 39 4.524 -10.337 19.473 1.00 0.00 C ATOM 582 O ILE A 39 3.646 -11.075 19.919 1.00 0.00 O ATOM 583 CB ILE A 39 5.877 -8.922 21.097 1.00 0.00 C ATOM 584 CG1 ILE A 39 7.242 -8.713 21.741 1.00 0.00 C ATOM 585 CG2 ILE A 39 4.820 -9.042 22.204 1.00 0.00 C ATOM 586 CD1 ILE A 39 7.356 -7.413 22.505 1.00 0.00 C ATOM 0 H ILE A 39 7.519 -9.271 19.247 1.00 0.00 H new ATOM 0 HA ILE A 39 6.057 -11.078 20.815 1.00 0.00 H new ATOM 0 HB ILE A 39 5.636 -8.070 20.461 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.446 -9.542 22.418 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.008 -8.738 20.966 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.834 -8.142 22.819 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.834 -9.159 21.754 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.041 -9.910 22.826 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.354 -7.331 22.937 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.184 -6.577 21.828 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.613 -7.393 23.302 1.00 0.00 H new ATOM 598 N SER A 40 4.374 -9.641 18.353 1.00 0.00 N ATOM 599 CA SER A 40 3.125 -9.651 17.610 1.00 0.00 C ATOM 600 C SER A 40 2.918 -10.954 16.802 1.00 0.00 C ATOM 601 O SER A 40 1.809 -11.511 16.783 1.00 0.00 O ATOM 602 CB SER A 40 3.088 -8.447 16.671 1.00 0.00 C ATOM 603 OG SER A 40 3.310 -7.240 17.391 1.00 0.00 O ATOM 0 H SER A 40 5.105 -9.062 17.940 1.00 0.00 H new ATOM 0 HA SER A 40 2.313 -9.597 18.335 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.848 -8.560 15.897 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.123 -8.403 16.166 1.00 0.00 H new ATOM 0 HG SER A 40 4.264 -7.016 17.367 1.00 0.00 H new ATOM 609 N GLU A 41 3.979 -11.458 16.178 1.00 0.00 N ATOM 610 CA GLU A 41 3.882 -12.612 15.325 1.00 0.00 C ATOM 611 C GLU A 41 3.801 -13.895 16.130 1.00 0.00 C ATOM 612 O GLU A 41 3.195 -14.883 15.697 1.00 0.00 O ATOM 613 CB GLU A 41 5.074 -12.658 14.385 1.00 0.00 C ATOM 614 CG GLU A 41 5.245 -11.418 13.514 1.00 0.00 C ATOM 615 CD GLU A 41 4.011 -11.069 12.722 1.00 0.00 C ATOM 616 OE1 GLU A 41 3.789 -11.658 11.649 1.00 0.00 O ATOM 617 OE2 GLU A 41 3.255 -10.183 13.149 1.00 0.00 O ATOM 0 H GLU A 41 4.920 -11.072 16.256 1.00 0.00 H new ATOM 0 HA GLU A 41 2.963 -12.527 14.744 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.980 -12.799 14.975 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.976 -13.530 13.738 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.513 -10.572 14.147 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.076 -11.577 12.827 1.00 0.00 H new ATOM 624 N TRP A 42 4.398 -13.874 17.291 1.00 0.00 N ATOM 625 CA TRP A 42 4.405 -15.004 18.186 1.00 0.00 C ATOM 626 C TRP A 42 2.973 -15.135 18.776 1.00 0.00 C ATOM 627 O TRP A 42 2.261 -14.119 18.875 1.00 0.00 O ATOM 628 CB TRP A 42 5.466 -14.723 19.272 1.00 0.00 C ATOM 629 CG TRP A 42 5.886 -15.882 20.113 1.00 0.00 C ATOM 630 CD1 TRP A 42 5.463 -16.180 21.360 1.00 0.00 C ATOM 631 CD2 TRP A 42 6.840 -16.893 19.759 1.00 0.00 C ATOM 632 NE1 TRP A 42 6.102 -17.302 21.818 1.00 0.00 N ATOM 633 CE2 TRP A 42 6.942 -17.767 20.849 1.00 0.00 C ATOM 634 CE3 TRP A 42 7.617 -17.142 18.628 1.00 0.00 C ATOM 635 CZ2 TRP A 42 7.789 -18.875 20.846 1.00 0.00 C ATOM 636 CZ3 TRP A 42 8.457 -18.241 18.629 1.00 0.00 C ATOM 637 CH2 TRP A 42 8.535 -19.092 19.730 1.00 0.00 C ATOM 0 H TRP A 42 4.901 -13.062 17.648 1.00 0.00 H new ATOM 0 HA TRP A 42 4.660 -15.943 17.694 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.352 -14.317 18.785 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.080 -13.946 19.932 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.728 -15.616 21.915 1.00 0.00 H new ATOM 0 HE1 TRP A 42 5.970 -17.723 22.738 1.00 0.00 H new ATOM 0 HE3 TRP A 42 7.564 -16.490 17.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.850 -19.536 21.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 9.064 -18.444 17.759 1.00 0.00 H new ATOM 0 HH2 TRP A 42 9.202 -19.941 19.696 1.00 0.00 H new ATOM 648 N PRO A 43 2.509 -16.382 19.092 1.00 0.00 N ATOM 649 CA PRO A 43 1.152 -16.663 19.623 1.00 0.00 C ATOM 650 C PRO A 43 0.594 -15.615 20.602 1.00 0.00 C ATOM 651 O PRO A 43 1.316 -15.094 21.456 1.00 0.00 O ATOM 652 CB PRO A 43 1.356 -17.983 20.345 1.00 0.00 C ATOM 653 CG PRO A 43 2.338 -18.703 19.493 1.00 0.00 C ATOM 654 CD PRO A 43 3.269 -17.647 18.934 1.00 0.00 C ATOM 0 HA PRO A 43 0.418 -16.664 18.817 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.737 -17.832 21.355 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.422 -18.538 20.436 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.891 -19.440 20.075 1.00 0.00 H new ATOM 0 HG3 PRO A 43 1.835 -19.242 18.690 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.212 -17.617 19.479 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.511 -17.840 17.889 1.00 0.00 H new ATOM 662 N ARG A 44 -0.703 -15.329 20.489 1.00 0.00 N ATOM 663 CA ARG A 44 -1.352 -14.355 21.376 1.00 0.00 C ATOM 664 C ARG A 44 -1.421 -14.904 22.798 1.00 0.00 C ATOM 665 O ARG A 44 -1.302 -14.167 23.770 1.00 0.00 O ATOM 666 CB ARG A 44 -2.793 -13.982 20.936 1.00 0.00 C ATOM 667 CG ARG A 44 -3.016 -13.150 19.644 1.00 0.00 C ATOM 668 CD ARG A 44 -2.700 -13.866 18.322 1.00 0.00 C ATOM 669 NE ARG A 44 -1.273 -13.960 18.011 1.00 0.00 N ATOM 670 CZ ARG A 44 -0.782 -14.404 16.844 1.00 0.00 C ATOM 671 NH1 ARG A 44 -1.601 -14.862 15.900 1.00 0.00 N ATOM 672 NH2 ARG A 44 0.519 -14.392 16.630 1.00 0.00 N ATOM 0 H ARG A 44 -1.323 -15.752 19.799 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.740 -13.454 21.325 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.349 -14.913 20.823 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.252 -13.434 21.759 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.056 -12.825 19.619 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.403 -12.251 19.704 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.118 -14.872 18.359 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.203 -13.341 17.510 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.609 -13.669 18.728 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.608 -14.877 16.062 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.222 -15.198 15.015 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.151 -14.045 17.351 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.893 -14.729 15.743 1.00 0.00 H new ATOM 686 N GLU A 45 -1.584 -16.207 22.887 1.00 0.00 N ATOM 687 CA GLU A 45 -1.752 -16.934 24.151 1.00 0.00 C ATOM 688 C GLU A 45 -0.377 -17.280 24.784 1.00 0.00 C ATOM 689 O GLU A 45 -0.322 -17.921 25.834 1.00 0.00 O ATOM 690 CB GLU A 45 -2.520 -18.245 23.846 1.00 0.00 C ATOM 691 CG GLU A 45 -2.933 -19.074 25.055 1.00 0.00 C ATOM 692 CD GLU A 45 -3.517 -20.412 24.667 1.00 0.00 C ATOM 693 OE1 GLU A 45 -4.723 -20.482 24.334 1.00 0.00 O ATOM 694 OE2 GLU A 45 -2.767 -21.417 24.671 1.00 0.00 O ATOM 0 H GLU A 45 -1.606 -16.815 22.068 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.300 -16.311 24.858 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.417 -17.994 23.279 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.898 -18.865 23.200 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.066 -19.232 25.696 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.665 -18.518 25.640 1.00 0.00 H new ATOM 701 N LYS A 46 0.708 -16.804 24.149 1.00 0.00 N ATOM 702 CA LYS A 46 2.090 -17.182 24.441 1.00 0.00 C ATOM 703 C LYS A 46 2.454 -17.461 25.918 1.00 0.00 C ATOM 704 O LYS A 46 2.039 -16.756 26.845 1.00 0.00 O ATOM 705 CB LYS A 46 3.086 -16.229 23.788 1.00 0.00 C ATOM 706 CG LYS A 46 3.354 -14.822 24.410 1.00 0.00 C ATOM 707 CD LYS A 46 2.185 -13.832 24.438 1.00 0.00 C ATOM 708 CE LYS A 46 1.307 -13.975 25.666 1.00 0.00 C ATOM 709 NZ LYS A 46 0.247 -12.946 25.695 1.00 0.00 N ATOM 0 H LYS A 46 0.638 -16.122 23.393 1.00 0.00 H new ATOM 0 HA LYS A 46 2.170 -18.168 23.982 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.044 -16.747 23.738 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.755 -16.070 22.761 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.699 -14.966 25.434 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.174 -14.360 23.860 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.577 -12.816 24.397 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.576 -13.975 23.546 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.854 -14.966 25.678 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.919 -13.894 26.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.249 -12.985 26.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.673 -12.005 25.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.430 -13.123 24.925 1.00 0.00 H new ATOM 723 N GLU A 47 3.234 -18.515 26.078 1.00 0.00 N ATOM 724 CA GLU A 47 3.694 -19.049 27.343 1.00 0.00 C ATOM 725 C GLU A 47 4.845 -18.220 27.935 1.00 0.00 C ATOM 726 O GLU A 47 5.086 -17.085 27.534 1.00 0.00 O ATOM 727 CB GLU A 47 4.164 -20.492 27.088 1.00 0.00 C ATOM 728 CG GLU A 47 5.334 -20.588 26.116 1.00 0.00 C ATOM 729 CD GLU A 47 5.696 -22.000 25.756 1.00 0.00 C ATOM 730 OE1 GLU A 47 6.468 -22.633 26.486 1.00 0.00 O ATOM 731 OE2 GLU A 47 5.233 -22.490 24.713 1.00 0.00 O ATOM 0 H GLU A 47 3.582 -19.050 25.282 1.00 0.00 H new ATOM 0 HA GLU A 47 2.879 -19.016 28.066 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.452 -20.945 28.037 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.329 -21.074 26.698 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.087 -20.041 25.206 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.203 -20.099 26.556 1.00 0.00 H new ATOM 738 N ASN A 48 5.545 -18.823 28.896 1.00 0.00 N ATOM 739 CA ASN A 48 6.735 -18.255 29.584 1.00 0.00 C ATOM 740 C ASN A 48 7.942 -18.012 28.655 1.00 0.00 C ATOM 741 O ASN A 48 9.061 -17.780 29.126 1.00 0.00 O ATOM 742 CB ASN A 48 7.181 -19.150 30.761 1.00 0.00 C ATOM 743 CG ASN A 48 6.248 -19.132 31.958 1.00 0.00 C ATOM 744 OD1 ASN A 48 5.048 -18.899 31.841 1.00 0.00 O ATOM 745 ND2 ASN A 48 6.799 -19.381 33.126 1.00 0.00 N ATOM 0 H ASN A 48 5.302 -19.753 29.238 1.00 0.00 H new ATOM 0 HA ASN A 48 6.407 -17.282 29.950 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.274 -20.176 30.405 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.173 -18.834 31.085 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.226 -19.384 33.970 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.799 -19.571 33.188 1.00 0.00 H new ATOM 752 N GLY A 49 7.709 -18.043 27.383 1.00 0.00 N ATOM 753 CA GLY A 49 8.736 -17.795 26.414 1.00 0.00 C ATOM 754 C GLY A 49 8.682 -16.356 25.966 1.00 0.00 C ATOM 755 O GLY A 49 8.545 -15.461 26.802 1.00 0.00 O ATOM 0 H GLY A 49 6.794 -18.243 26.980 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.714 -18.015 26.843 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.607 -18.457 25.557 1.00 0.00 H new ATOM 759 N PRO A 50 8.813 -16.095 24.662 1.00 0.00 N ATOM 760 CA PRO A 50 8.645 -14.754 24.095 1.00 0.00 C ATOM 761 C PRO A 50 7.277 -14.183 24.415 1.00 0.00 C ATOM 762 O PRO A 50 6.295 -14.558 23.804 1.00 0.00 O ATOM 763 CB PRO A 50 8.727 -15.008 22.592 1.00 0.00 C ATOM 764 CG PRO A 50 9.585 -16.189 22.480 1.00 0.00 C ATOM 765 CD PRO A 50 9.181 -17.070 23.627 1.00 0.00 C ATOM 0 HA PRO A 50 9.380 -14.048 24.482 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.741 -15.188 22.163 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.152 -14.154 22.065 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.440 -16.693 21.525 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.639 -15.919 22.542 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.345 -17.719 23.365 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.997 -17.716 23.950 1.00 0.00 H new ATOM 773 N LYS A 51 7.210 -13.339 25.398 1.00 0.00 N ATOM 774 CA LYS A 51 5.963 -12.732 25.754 1.00 0.00 C ATOM 775 C LYS A 51 6.004 -11.232 25.625 1.00 0.00 C ATOM 776 O LYS A 51 5.090 -10.628 25.068 1.00 0.00 O ATOM 777 CB LYS A 51 5.431 -13.242 27.111 1.00 0.00 C ATOM 778 CG LYS A 51 6.423 -13.233 28.266 1.00 0.00 C ATOM 779 CD LYS A 51 5.794 -13.871 29.493 1.00 0.00 C ATOM 780 CE LYS A 51 6.780 -14.033 30.657 1.00 0.00 C ATOM 781 NZ LYS A 51 7.322 -12.748 31.140 1.00 0.00 N ATOM 0 H LYS A 51 8.005 -13.054 25.970 1.00 0.00 H new ATOM 0 HA LYS A 51 5.221 -13.056 25.024 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.571 -12.634 27.393 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.070 -14.262 26.977 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.326 -13.776 27.986 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.723 -12.210 28.491 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.951 -13.262 29.820 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.395 -14.849 29.223 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.280 -14.542 31.481 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.604 -14.672 30.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.396 -12.770 32.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.264 -12.592 30.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.688 -11.975 30.855 1.00 0.00 H new ATOM 795 N THR A 52 7.038 -10.631 26.144 1.00 0.00 N ATOM 796 CA THR A 52 7.259 -9.229 26.001 1.00 0.00 C ATOM 797 C THR A 52 8.715 -8.943 25.591 1.00 0.00 C ATOM 798 O THR A 52 9.537 -9.861 25.501 1.00 0.00 O ATOM 799 CB THR A 52 6.829 -8.406 27.242 1.00 0.00 C ATOM 800 OG1 THR A 52 7.460 -8.876 28.442 1.00 0.00 O ATOM 801 CG2 THR A 52 5.323 -8.421 27.424 1.00 0.00 C ATOM 0 H THR A 52 7.757 -11.112 26.684 1.00 0.00 H new ATOM 0 HA THR A 52 6.607 -8.891 25.195 1.00 0.00 H new ATOM 0 HB THR A 52 7.154 -7.382 27.059 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.299 -9.329 28.215 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.057 -7.834 28.303 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.846 -7.992 26.543 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.983 -9.448 27.557 1.00 0.00 H new ATOM 809 N VAL A 53 9.009 -7.693 25.317 1.00 0.00 N ATOM 810 CA VAL A 53 10.336 -7.235 24.903 1.00 0.00 C ATOM 811 C VAL A 53 11.389 -7.555 25.979 1.00 0.00 C ATOM 812 O VAL A 53 12.565 -7.773 25.684 1.00 0.00 O ATOM 813 CB VAL A 53 10.335 -5.699 24.571 1.00 0.00 C ATOM 814 CG1 VAL A 53 9.936 -4.853 25.778 1.00 0.00 C ATOM 815 CG2 VAL A 53 11.682 -5.247 24.021 1.00 0.00 C ATOM 0 H VAL A 53 8.323 -6.940 25.374 1.00 0.00 H new ATOM 0 HA VAL A 53 10.599 -7.774 23.993 1.00 0.00 H new ATOM 0 HB VAL A 53 9.582 -5.546 23.798 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.949 -3.798 25.503 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.933 -5.131 26.102 1.00 0.00 H new ATOM 0 HG13 VAL A 53 10.641 -5.025 26.592 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.646 -4.180 23.802 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.460 -5.440 24.760 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.905 -5.797 23.107 1.00 0.00 H new ATOM 825 N LYS A 54 10.933 -7.625 27.214 1.00 0.00 N ATOM 826 CA LYS A 54 11.792 -7.813 28.357 1.00 0.00 C ATOM 827 C LYS A 54 12.408 -9.213 28.412 1.00 0.00 C ATOM 828 O LYS A 54 13.361 -9.437 29.152 1.00 0.00 O ATOM 829 CB LYS A 54 11.043 -7.488 29.648 1.00 0.00 C ATOM 830 CG LYS A 54 10.482 -6.066 29.700 1.00 0.00 C ATOM 831 CD LYS A 54 11.583 -5.013 29.593 1.00 0.00 C ATOM 832 CE LYS A 54 11.012 -3.597 29.580 1.00 0.00 C ATOM 833 NZ LYS A 54 10.275 -3.269 30.817 1.00 0.00 N ATOM 0 H LYS A 54 9.943 -7.552 27.450 1.00 0.00 H new ATOM 0 HA LYS A 54 12.624 -7.117 28.249 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.223 -8.196 29.768 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.716 -7.633 30.493 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.768 -5.928 28.888 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.935 -5.926 30.633 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.271 -5.120 30.431 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.160 -5.181 28.684 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.825 -2.883 29.446 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.346 -3.486 28.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.026 -2.259 30.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.407 -3.840 30.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.873 -3.477 31.643 1.00 0.00 H new ATOM 847 N GLU A 55 11.863 -10.157 27.668 1.00 0.00 N ATOM 848 CA GLU A 55 12.478 -11.488 27.639 1.00 0.00 C ATOM 849 C GLU A 55 12.830 -11.986 26.245 1.00 0.00 C ATOM 850 O GLU A 55 13.086 -13.176 26.037 1.00 0.00 O ATOM 851 CB GLU A 55 11.757 -12.551 28.484 1.00 0.00 C ATOM 852 CG GLU A 55 10.290 -12.725 28.261 1.00 0.00 C ATOM 853 CD GLU A 55 9.490 -11.596 28.797 1.00 0.00 C ATOM 854 OE1 GLU A 55 9.339 -11.486 30.028 1.00 0.00 O ATOM 855 OE2 GLU A 55 8.987 -10.830 28.022 1.00 0.00 O ATOM 0 H GLU A 55 11.028 -10.045 27.093 1.00 0.00 H new ATOM 0 HA GLU A 55 13.431 -11.327 28.142 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.242 -13.511 28.304 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.912 -12.308 29.535 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.099 -12.825 27.193 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.963 -13.652 28.732 1.00 0.00 H new ATOM 862 N VAL A 56 12.931 -11.072 25.312 1.00 0.00 N ATOM 863 CA VAL A 56 13.345 -11.412 23.967 1.00 0.00 C ATOM 864 C VAL A 56 14.622 -10.627 23.596 1.00 0.00 C ATOM 865 O VAL A 56 14.651 -9.399 23.648 1.00 0.00 O ATOM 866 CB VAL A 56 12.196 -11.197 22.918 1.00 0.00 C ATOM 867 CG1 VAL A 56 11.671 -9.781 22.931 1.00 0.00 C ATOM 868 CG2 VAL A 56 12.646 -11.578 21.524 1.00 0.00 C ATOM 0 H VAL A 56 12.732 -10.082 25.457 1.00 0.00 H new ATOM 0 HA VAL A 56 13.576 -12.477 23.942 1.00 0.00 H new ATOM 0 HB VAL A 56 11.379 -11.856 23.211 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.878 -9.680 22.190 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.275 -9.549 23.920 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.480 -9.091 22.693 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.828 -11.418 20.821 1.00 0.00 H new ATOM 0 HG22 VAL A 56 13.498 -10.962 21.236 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.936 -12.629 21.510 1.00 0.00 H new ATOM 878 N LYS A 57 15.680 -11.343 23.279 1.00 0.00 N ATOM 879 CA LYS A 57 16.952 -10.718 22.926 1.00 0.00 C ATOM 880 C LYS A 57 17.277 -11.038 21.460 1.00 0.00 C ATOM 881 O LYS A 57 16.993 -12.146 20.992 1.00 0.00 O ATOM 882 CB LYS A 57 18.048 -11.209 23.888 1.00 0.00 C ATOM 883 CG LYS A 57 19.420 -10.569 23.699 1.00 0.00 C ATOM 884 CD LYS A 57 20.439 -11.120 24.705 1.00 0.00 C ATOM 885 CE LYS A 57 20.039 -10.831 26.159 1.00 0.00 C ATOM 886 NZ LYS A 57 21.010 -11.390 27.128 1.00 0.00 N ATOM 0 H LYS A 57 15.691 -12.363 23.256 1.00 0.00 H new ATOM 0 HA LYS A 57 16.892 -9.634 23.026 1.00 0.00 H new ATOM 0 HB2 LYS A 57 17.718 -11.026 24.911 1.00 0.00 H new ATOM 0 HB3 LYS A 57 18.151 -12.288 23.774 1.00 0.00 H new ATOM 0 HG2 LYS A 57 19.772 -10.753 22.684 1.00 0.00 H new ATOM 0 HG3 LYS A 57 19.338 -9.488 23.817 1.00 0.00 H new ATOM 0 HD2 LYS A 57 20.538 -12.196 24.565 1.00 0.00 H new ATOM 0 HD3 LYS A 57 21.417 -10.681 24.506 1.00 0.00 H new ATOM 0 HE2 LYS A 57 19.961 -9.754 26.305 1.00 0.00 H new ATOM 0 HE3 LYS A 57 19.052 -11.251 26.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 20.700 -11.171 28.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 21.066 -12.421 27.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 21.947 -10.971 26.962 1.00 0.00 H new ATOM 900 N LEU A 58 17.859 -10.082 20.741 1.00 0.00 N ATOM 901 CA LEU A 58 18.065 -10.229 19.310 1.00 0.00 C ATOM 902 C LEU A 58 19.577 -10.136 18.981 1.00 0.00 C ATOM 903 O LEU A 58 20.241 -9.142 19.320 1.00 0.00 O ATOM 904 CB LEU A 58 17.235 -9.106 18.583 1.00 0.00 C ATOM 905 CG LEU A 58 17.023 -9.188 17.040 1.00 0.00 C ATOM 906 CD1 LEU A 58 18.321 -9.119 16.281 1.00 0.00 C ATOM 907 CD2 LEU A 58 16.254 -10.448 16.677 1.00 0.00 C ATOM 0 H LEU A 58 18.194 -9.200 21.128 1.00 0.00 H new ATOM 0 HA LEU A 58 17.723 -11.204 18.963 1.00 0.00 H new ATOM 0 HB2 LEU A 58 16.249 -9.075 19.047 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.718 -8.152 18.797 1.00 0.00 H new ATOM 0 HG LEU A 58 16.436 -8.318 16.747 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.121 -9.180 15.211 1.00 0.00 H new ATOM 0 HD12 LEU A 58 18.823 -8.177 16.503 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.961 -9.950 16.578 1.00 0.00 H new ATOM 0 HD21 LEU A 58 16.114 -10.490 15.597 1.00 0.00 H new ATOM 0 HD22 LEU A 58 16.814 -11.323 17.005 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.281 -10.435 17.168 1.00 0.00 H new ATOM 919 N ILE A 59 20.105 -11.170 18.338 1.00 0.00 N ATOM 920 CA ILE A 59 21.508 -11.211 17.912 1.00 0.00 C ATOM 921 C ILE A 59 21.596 -11.469 16.410 1.00 0.00 C ATOM 922 O ILE A 59 20.931 -12.358 15.889 1.00 0.00 O ATOM 923 CB ILE A 59 22.324 -12.298 18.688 1.00 0.00 C ATOM 924 CG1 ILE A 59 22.378 -11.957 20.183 1.00 0.00 C ATOM 925 CG2 ILE A 59 23.736 -12.458 18.116 1.00 0.00 C ATOM 926 CD1 ILE A 59 23.220 -12.907 21.011 1.00 0.00 C ATOM 0 H ILE A 59 19.576 -12.007 18.094 1.00 0.00 H new ATOM 0 HA ILE A 59 21.947 -10.240 18.142 1.00 0.00 H new ATOM 0 HB ILE A 59 21.812 -13.252 18.564 1.00 0.00 H new ATOM 0 HG12 ILE A 59 22.771 -10.947 20.299 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.362 -11.951 20.579 1.00 0.00 H new ATOM 0 HG21 ILE A 59 24.273 -13.221 18.680 1.00 0.00 H new ATOM 0 HG22 ILE A 59 23.673 -12.757 17.070 1.00 0.00 H new ATOM 0 HG23 ILE A 59 24.268 -11.510 18.191 1.00 0.00 H new ATOM 0 HD11 ILE A 59 23.203 -12.593 22.055 1.00 0.00 H new ATOM 0 HD12 ILE A 59 22.816 -13.916 20.929 1.00 0.00 H new ATOM 0 HD13 ILE A 59 24.247 -12.896 20.645 1.00 0.00 H new ATOM 938 N SER A 60 22.398 -10.685 15.732 1.00 0.00 N ATOM 939 CA SER A 60 22.587 -10.817 14.309 1.00 0.00 C ATOM 940 C SER A 60 24.070 -10.726 14.022 1.00 0.00 C ATOM 941 O SER A 60 24.750 -9.835 14.558 1.00 0.00 O ATOM 942 CB SER A 60 21.838 -9.701 13.563 1.00 0.00 C ATOM 943 OG SER A 60 21.858 -9.903 12.155 1.00 0.00 O ATOM 0 H SER A 60 22.941 -9.933 16.155 1.00 0.00 H new ATOM 0 HA SER A 60 22.193 -11.774 13.968 1.00 0.00 H new ATOM 0 HB2 SER A 60 20.806 -9.661 13.910 1.00 0.00 H new ATOM 0 HB3 SER A 60 22.291 -8.738 13.799 1.00 0.00 H new ATOM 0 HG SER A 60 21.371 -9.176 11.713 1.00 0.00 H new ATOM 949 N ALA A 61 24.584 -11.682 13.240 1.00 0.00 N ATOM 950 CA ALA A 61 26.001 -11.737 12.840 1.00 0.00 C ATOM 951 C ALA A 61 26.927 -11.892 14.051 1.00 0.00 C ATOM 952 O ALA A 61 28.131 -11.635 13.970 1.00 0.00 O ATOM 953 CB ALA A 61 26.377 -10.507 12.007 1.00 0.00 C ATOM 0 H ALA A 61 24.026 -12.448 12.862 1.00 0.00 H new ATOM 0 HA ALA A 61 26.135 -12.623 12.219 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.427 -10.568 11.722 1.00 0.00 H new ATOM 0 HB2 ALA A 61 25.759 -10.472 11.110 1.00 0.00 H new ATOM 0 HB3 ALA A 61 26.212 -9.605 12.596 1.00 0.00 H new ATOM 959 N GLY A 62 26.366 -12.358 15.147 1.00 0.00 N ATOM 960 CA GLY A 62 27.125 -12.551 16.361 1.00 0.00 C ATOM 961 C GLY A 62 27.236 -11.294 17.211 1.00 0.00 C ATOM 962 O GLY A 62 28.139 -11.181 18.044 1.00 0.00 O ATOM 0 H GLY A 62 25.381 -12.611 15.220 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.658 -13.340 16.951 1.00 0.00 H new ATOM 0 HA3 GLY A 62 28.126 -12.896 16.104 1.00 0.00 H new ATOM 966 N LYS A 63 26.327 -10.358 17.028 1.00 0.00 N ATOM 967 CA LYS A 63 26.350 -9.128 17.793 1.00 0.00 C ATOM 968 C LYS A 63 24.964 -8.884 18.359 1.00 0.00 C ATOM 969 O LYS A 63 23.973 -9.155 17.686 1.00 0.00 O ATOM 970 CB LYS A 63 26.791 -7.949 16.898 1.00 0.00 C ATOM 971 CG LYS A 63 26.959 -6.616 17.628 1.00 0.00 C ATOM 972 CD LYS A 63 27.411 -5.512 16.678 1.00 0.00 C ATOM 973 CE LYS A 63 27.655 -4.201 17.423 1.00 0.00 C ATOM 974 NZ LYS A 63 28.127 -3.121 16.524 1.00 0.00 N ATOM 0 H LYS A 63 25.563 -10.426 16.356 1.00 0.00 H new ATOM 0 HA LYS A 63 27.067 -9.212 18.610 1.00 0.00 H new ATOM 0 HB2 LYS A 63 27.736 -8.207 16.421 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.057 -7.821 16.102 1.00 0.00 H new ATOM 0 HG2 LYS A 63 26.015 -6.333 18.093 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.688 -6.729 18.430 1.00 0.00 H new ATOM 0 HD2 LYS A 63 28.325 -5.819 16.170 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.654 -5.360 15.909 1.00 0.00 H new ATOM 0 HE2 LYS A 63 26.733 -3.887 17.912 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.392 -4.364 18.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.278 -2.252 17.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.021 -3.408 16.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.413 -2.945 15.789 1.00 0.00 H new ATOM 988 N VAL A 64 24.893 -8.410 19.588 1.00 0.00 N ATOM 989 CA VAL A 64 23.612 -8.146 20.233 1.00 0.00 C ATOM 990 C VAL A 64 23.108 -6.782 19.792 1.00 0.00 C ATOM 991 O VAL A 64 23.847 -5.784 19.869 1.00 0.00 O ATOM 992 CB VAL A 64 23.731 -8.170 21.782 1.00 0.00 C ATOM 993 CG1 VAL A 64 22.371 -7.964 22.442 1.00 0.00 C ATOM 994 CG2 VAL A 64 24.369 -9.467 22.262 1.00 0.00 C ATOM 0 H VAL A 64 25.707 -8.198 20.165 1.00 0.00 H new ATOM 0 HA VAL A 64 22.915 -8.930 19.937 1.00 0.00 H new ATOM 0 HB VAL A 64 24.378 -7.344 22.076 1.00 0.00 H new ATOM 0 HG11 VAL A 64 22.486 -7.986 23.526 1.00 0.00 H new ATOM 0 HG12 VAL A 64 21.962 -7.000 22.139 1.00 0.00 H new ATOM 0 HG13 VAL A 64 21.692 -8.759 22.133 1.00 0.00 H new ATOM 0 HG21 VAL A 64 24.440 -9.457 23.350 1.00 0.00 H new ATOM 0 HG22 VAL A 64 23.757 -10.312 21.946 1.00 0.00 H new ATOM 0 HG23 VAL A 64 25.367 -9.562 21.834 1.00 0.00 H new ATOM 1004 N LEU A 65 21.886 -6.730 19.326 1.00 0.00 N ATOM 1005 CA LEU A 65 21.323 -5.515 18.846 1.00 0.00 C ATOM 1006 C LEU A 65 20.624 -4.743 19.944 1.00 0.00 C ATOM 1007 O LEU A 65 19.637 -5.208 20.516 1.00 0.00 O ATOM 1008 CB LEU A 65 20.376 -5.758 17.664 1.00 0.00 C ATOM 1009 CG LEU A 65 21.009 -6.179 16.328 1.00 0.00 C ATOM 1010 CD1 LEU A 65 21.634 -7.544 16.386 1.00 0.00 C ATOM 1011 CD2 LEU A 65 20.020 -6.064 15.176 1.00 0.00 C ATOM 0 H LEU A 65 21.261 -7.535 19.273 1.00 0.00 H new ATOM 0 HA LEU A 65 22.153 -4.905 18.491 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.662 -6.528 17.957 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.807 -4.844 17.494 1.00 0.00 H new ATOM 0 HG LEU A 65 21.820 -5.476 16.138 1.00 0.00 H new ATOM 0 HD11 LEU A 65 22.065 -7.788 15.415 1.00 0.00 H new ATOM 0 HD12 LEU A 65 22.418 -7.553 17.144 1.00 0.00 H new ATOM 0 HD13 LEU A 65 20.873 -8.282 16.641 1.00 0.00 H new ATOM 0 HD21 LEU A 65 20.504 -6.370 14.249 1.00 0.00 H new ATOM 0 HD22 LEU A 65 19.162 -6.709 15.367 1.00 0.00 H new ATOM 0 HD23 LEU A 65 19.685 -5.031 15.086 1.00 0.00 H new ATOM 1023 N GLU A 66 21.166 -3.583 20.249 1.00 0.00 N ATOM 1024 CA GLU A 66 20.583 -2.681 21.224 1.00 0.00 C ATOM 1025 C GLU A 66 19.318 -2.075 20.588 1.00 0.00 C ATOM 1026 O GLU A 66 19.367 -1.587 19.450 1.00 0.00 O ATOM 1027 CB GLU A 66 21.653 -1.615 21.611 1.00 0.00 C ATOM 1028 CG GLU A 66 21.350 -0.708 22.826 1.00 0.00 C ATOM 1029 CD GLU A 66 20.303 0.353 22.597 1.00 0.00 C ATOM 1030 OE1 GLU A 66 20.668 1.464 22.187 1.00 0.00 O ATOM 1031 OE2 GLU A 66 19.108 0.114 22.853 1.00 0.00 O ATOM 0 H GLU A 66 22.027 -3.236 19.827 1.00 0.00 H new ATOM 0 HA GLU A 66 20.289 -3.183 22.146 1.00 0.00 H new ATOM 0 HB2 GLU A 66 22.591 -2.135 21.805 1.00 0.00 H new ATOM 0 HB3 GLU A 66 21.817 -0.974 20.745 1.00 0.00 H new ATOM 0 HG2 GLU A 66 21.030 -1.337 23.656 1.00 0.00 H new ATOM 0 HG3 GLU A 66 22.275 -0.221 23.134 1.00 0.00 H new ATOM 1038 N ASN A 67 18.211 -2.121 21.333 1.00 0.00 N ATOM 1039 CA ASN A 67 16.841 -1.743 20.872 1.00 0.00 C ATOM 1040 C ASN A 67 16.769 -0.418 20.111 1.00 0.00 C ATOM 1041 O ASN A 67 15.981 -0.287 19.164 1.00 0.00 O ATOM 1042 CB ASN A 67 15.866 -1.641 22.061 1.00 0.00 C ATOM 1043 CG ASN A 67 15.693 -2.917 22.859 1.00 0.00 C ATOM 1044 OD1 ASN A 67 15.832 -4.022 22.346 1.00 0.00 O ATOM 1045 ND2 ASN A 67 15.365 -2.769 24.120 1.00 0.00 N ATOM 0 H ASN A 67 18.226 -2.429 22.305 1.00 0.00 H new ATOM 0 HA ASN A 67 16.562 -2.543 20.186 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.215 -0.856 22.731 1.00 0.00 H new ATOM 0 HB3 ASN A 67 14.891 -1.330 21.686 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.217 -3.589 24.708 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.258 -1.834 24.513 1.00 0.00 H new ATOM 1052 N SER A 68 17.574 0.543 20.514 1.00 0.00 N ATOM 1053 CA SER A 68 17.516 1.897 19.959 1.00 0.00 C ATOM 1054 C SER A 68 18.001 1.976 18.509 1.00 0.00 C ATOM 1055 O SER A 68 17.621 2.879 17.760 1.00 0.00 O ATOM 1056 CB SER A 68 18.349 2.824 20.817 1.00 0.00 C ATOM 1057 OG SER A 68 18.039 2.659 22.204 1.00 0.00 O ATOM 0 H SER A 68 18.287 0.418 21.232 1.00 0.00 H new ATOM 0 HA SER A 68 16.468 2.198 19.960 1.00 0.00 H new ATOM 0 HB2 SER A 68 19.408 2.624 20.652 1.00 0.00 H new ATOM 0 HB3 SER A 68 18.169 3.858 20.521 1.00 0.00 H new ATOM 0 HG SER A 68 18.319 1.767 22.498 1.00 0.00 H new ATOM 1063 N LYS A 69 18.803 1.041 18.130 1.00 0.00 N ATOM 1064 CA LYS A 69 19.432 1.027 16.834 1.00 0.00 C ATOM 1065 C LYS A 69 18.487 0.545 15.741 1.00 0.00 C ATOM 1066 O LYS A 69 17.428 0.011 16.027 1.00 0.00 O ATOM 1067 CB LYS A 69 20.672 0.175 16.888 1.00 0.00 C ATOM 1068 CG LYS A 69 21.795 0.724 17.764 1.00 0.00 C ATOM 1069 CD LYS A 69 22.333 2.027 17.203 1.00 0.00 C ATOM 1070 CE LYS A 69 23.479 2.573 18.031 1.00 0.00 C ATOM 1071 NZ LYS A 69 24.012 3.822 17.453 1.00 0.00 N ATOM 0 H LYS A 69 19.051 0.244 18.717 1.00 0.00 H new ATOM 0 HA LYS A 69 19.706 2.051 16.578 1.00 0.00 H new ATOM 0 HB2 LYS A 69 20.399 -0.815 17.252 1.00 0.00 H new ATOM 0 HB3 LYS A 69 21.052 0.048 15.874 1.00 0.00 H new ATOM 0 HG2 LYS A 69 21.426 0.885 18.777 1.00 0.00 H new ATOM 0 HG3 LYS A 69 22.600 -0.008 17.831 1.00 0.00 H new ATOM 0 HD2 LYS A 69 22.670 1.869 16.178 1.00 0.00 H new ATOM 0 HD3 LYS A 69 21.531 2.764 17.165 1.00 0.00 H new ATOM 0 HE2 LYS A 69 23.138 2.758 19.050 1.00 0.00 H new ATOM 0 HE3 LYS A 69 24.274 1.829 18.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 24.795 4.171 18.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 24.359 3.639 16.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 23.259 4.538 17.419 1.00 0.00 H new ATOM 1085 N THR A 70 18.866 0.763 14.502 1.00 0.00 N ATOM 1086 CA THR A 70 18.086 0.388 13.369 1.00 0.00 C ATOM 1087 C THR A 70 18.663 -0.847 12.667 1.00 0.00 C ATOM 1088 O THR A 70 19.794 -1.259 12.949 1.00 0.00 O ATOM 1089 CB THR A 70 18.027 1.560 12.384 1.00 0.00 C ATOM 1090 OG1 THR A 70 19.364 2.011 12.066 1.00 0.00 O ATOM 1091 CG2 THR A 70 17.213 2.713 12.947 1.00 0.00 C ATOM 0 H THR A 70 19.747 1.217 14.260 1.00 0.00 H new ATOM 0 HA THR A 70 17.084 0.136 13.716 1.00 0.00 H new ATOM 0 HB THR A 70 17.538 1.210 11.475 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.315 2.759 11.435 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.190 3.529 12.225 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.196 2.377 13.147 1.00 0.00 H new ATOM 0 HG23 THR A 70 17.669 3.062 13.874 1.00 0.00 H new ATOM 1099 N VAL A 71 17.878 -1.428 11.754 1.00 0.00 N ATOM 1100 CA VAL A 71 18.295 -2.597 10.971 1.00 0.00 C ATOM 1101 C VAL A 71 19.556 -2.281 10.172 1.00 0.00 C ATOM 1102 O VAL A 71 20.529 -3.043 10.189 1.00 0.00 O ATOM 1103 CB VAL A 71 17.176 -3.041 9.976 1.00 0.00 C ATOM 1104 CG1 VAL A 71 17.621 -4.238 9.140 1.00 0.00 C ATOM 1105 CG2 VAL A 71 15.898 -3.371 10.718 1.00 0.00 C ATOM 0 H VAL A 71 16.936 -1.102 11.537 1.00 0.00 H new ATOM 0 HA VAL A 71 18.491 -3.405 11.676 1.00 0.00 H new ATOM 0 HB VAL A 71 16.985 -2.206 9.302 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.820 -4.523 8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 71 18.509 -3.971 8.567 1.00 0.00 H new ATOM 0 HG13 VAL A 71 17.852 -5.076 9.798 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.132 -3.678 10.005 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.085 -4.182 11.422 1.00 0.00 H new ATOM 0 HG23 VAL A 71 15.555 -2.491 11.262 1.00 0.00 H new ATOM 1115 N LYS A 72 19.536 -1.134 9.510 1.00 0.00 N ATOM 1116 CA LYS A 72 20.628 -0.679 8.649 1.00 0.00 C ATOM 1117 C LYS A 72 21.968 -0.621 9.385 1.00 0.00 C ATOM 1118 O LYS A 72 23.010 -0.885 8.796 1.00 0.00 O ATOM 1119 CB LYS A 72 20.293 0.696 8.064 1.00 0.00 C ATOM 1120 CG LYS A 72 21.368 1.283 7.156 1.00 0.00 C ATOM 1121 CD LYS A 72 20.962 2.648 6.630 1.00 0.00 C ATOM 1122 CE LYS A 72 22.047 3.252 5.742 1.00 0.00 C ATOM 1123 NZ LYS A 72 23.323 3.469 6.465 1.00 0.00 N ATOM 0 H LYS A 72 18.753 -0.482 9.553 1.00 0.00 H new ATOM 0 HA LYS A 72 20.732 -1.409 7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 72 19.363 0.619 7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 72 20.111 1.390 8.885 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.305 1.367 7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.549 0.608 6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.035 2.560 6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.762 3.317 7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 72 22.223 2.593 4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.695 4.203 5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 23.954 4.060 5.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 23.133 3.948 7.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 23.779 2.552 6.648 1.00 0.00 H new ATOM 1137 N ASP A 73 21.930 -0.298 10.664 1.00 0.00 N ATOM 1138 CA ASP A 73 23.154 -0.135 11.452 1.00 0.00 C ATOM 1139 C ASP A 73 23.939 -1.446 11.550 1.00 0.00 C ATOM 1140 O ASP A 73 25.177 -1.457 11.493 1.00 0.00 O ATOM 1141 CB ASP A 73 22.834 0.392 12.858 1.00 0.00 C ATOM 1142 CG ASP A 73 24.081 0.700 13.670 1.00 0.00 C ATOM 1143 OD1 ASP A 73 24.607 -0.198 14.352 1.00 0.00 O ATOM 1144 OD2 ASP A 73 24.547 1.866 13.633 1.00 0.00 O ATOM 0 H ASP A 73 21.068 -0.142 11.187 1.00 0.00 H new ATOM 0 HA ASP A 73 23.776 0.596 10.935 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.229 1.295 12.774 1.00 0.00 H new ATOM 0 HB3 ASP A 73 22.233 -0.346 13.389 1.00 0.00 H new ATOM 1149 N TYR A 74 23.226 -2.549 11.652 1.00 0.00 N ATOM 1150 CA TYR A 74 23.855 -3.836 11.806 1.00 0.00 C ATOM 1151 C TYR A 74 23.942 -4.561 10.492 1.00 0.00 C ATOM 1152 O TYR A 74 24.723 -5.504 10.338 1.00 0.00 O ATOM 1153 CB TYR A 74 23.082 -4.679 12.799 1.00 0.00 C ATOM 1154 CG TYR A 74 23.044 -4.105 14.183 1.00 0.00 C ATOM 1155 CD1 TYR A 74 22.092 -3.174 14.527 1.00 0.00 C ATOM 1156 CD2 TYR A 74 23.960 -4.498 15.150 1.00 0.00 C ATOM 1157 CE1 TYR A 74 22.043 -2.643 15.780 1.00 0.00 C ATOM 1158 CE2 TYR A 74 23.916 -3.966 16.421 1.00 0.00 C ATOM 1159 CZ TYR A 74 22.947 -3.035 16.727 1.00 0.00 C ATOM 1160 OH TYR A 74 22.886 -2.485 17.993 1.00 0.00 O ATOM 0 H TYR A 74 22.207 -2.575 11.630 1.00 0.00 H new ATOM 0 HA TYR A 74 24.867 -3.670 12.176 1.00 0.00 H new ATOM 0 HB2 TYR A 74 22.061 -4.802 12.439 1.00 0.00 H new ATOM 0 HB3 TYR A 74 23.527 -5.673 12.841 1.00 0.00 H new ATOM 0 HD1 TYR A 74 21.369 -2.858 13.789 1.00 0.00 H new ATOM 0 HD2 TYR A 74 24.716 -5.229 14.903 1.00 0.00 H new ATOM 0 HE1 TYR A 74 21.288 -1.911 16.026 1.00 0.00 H new ATOM 0 HE2 TYR A 74 24.632 -4.275 17.168 1.00 0.00 H new ATOM 0 HH TYR A 74 23.596 -2.867 18.550 1.00 0.00 H new ATOM 1170 N ARG A 75 23.153 -4.131 9.548 1.00 0.00 N ATOM 1171 CA ARG A 75 23.094 -4.747 8.290 1.00 0.00 C ATOM 1172 C ARG A 75 24.299 -4.349 7.441 1.00 0.00 C ATOM 1173 O ARG A 75 24.953 -3.326 7.702 1.00 0.00 O ATOM 1174 CB ARG A 75 21.797 -4.334 7.590 1.00 0.00 C ATOM 1175 CG ARG A 75 21.563 -5.109 6.351 1.00 0.00 C ATOM 1176 CD ARG A 75 20.302 -4.727 5.619 1.00 0.00 C ATOM 1177 NE ARG A 75 20.327 -3.370 5.035 1.00 0.00 N ATOM 1178 CZ ARG A 75 20.630 -3.092 3.741 1.00 0.00 C ATOM 1179 NH1 ARG A 75 21.236 -4.000 2.971 1.00 0.00 N ATOM 1180 NH2 ARG A 75 20.354 -1.907 3.245 1.00 0.00 N ATOM 0 H ARG A 75 22.531 -3.329 9.651 1.00 0.00 H new ATOM 0 HA ARG A 75 23.112 -5.829 8.420 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.957 -4.476 8.270 1.00 0.00 H new ATOM 0 HB3 ARG A 75 21.837 -3.271 7.351 1.00 0.00 H new ATOM 0 HG2 ARG A 75 22.414 -4.973 5.683 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.519 -6.169 6.600 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.125 -5.450 4.823 1.00 0.00 H new ATOM 0 HD3 ARG A 75 19.460 -4.798 6.307 1.00 0.00 H new ATOM 0 HE ARG A 75 20.101 -2.586 5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 75 21.476 -4.914 3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 75 21.458 -3.779 2.000 1.00 0.00 H new ATOM 0 HH21 ARG A 75 19.913 -1.199 3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 75 20.581 -1.695 2.273 1.00 0.00 H new ATOM 1306 N VAL A 85 18.330 -11.477 2.717 1.00 0.00 N ATOM 1307 CA VAL A 85 17.618 -12.045 3.818 1.00 0.00 C ATOM 1308 C VAL A 85 18.516 -11.920 5.012 1.00 0.00 C ATOM 1309 O VAL A 85 19.665 -12.342 4.960 1.00 0.00 O ATOM 1310 CB VAL A 85 17.274 -13.547 3.605 1.00 0.00 C ATOM 1311 CG1 VAL A 85 16.456 -14.094 4.776 1.00 0.00 C ATOM 1312 CG2 VAL A 85 16.554 -13.782 2.280 1.00 0.00 C ATOM 0 HA VAL A 85 16.670 -11.521 3.938 1.00 0.00 H new ATOM 0 HB VAL A 85 18.217 -14.092 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.229 -15.146 4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.029 -13.994 5.698 1.00 0.00 H new ATOM 0 HG13 VAL A 85 15.526 -13.532 4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.332 -14.843 2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.624 -13.213 2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.191 -13.457 1.457 1.00 0.00 H new ATOM 1322 N THR A 86 18.048 -11.341 6.047 1.00 0.00 N ATOM 1323 CA THR A 86 18.858 -11.228 7.223 1.00 0.00 C ATOM 1324 C THR A 86 18.444 -12.310 8.215 1.00 0.00 C ATOM 1325 O THR A 86 17.247 -12.549 8.427 1.00 0.00 O ATOM 1326 CB THR A 86 18.723 -9.837 7.855 1.00 0.00 C ATOM 1327 OG1 THR A 86 18.934 -8.849 6.833 1.00 0.00 O ATOM 1328 CG2 THR A 86 19.770 -9.639 8.949 1.00 0.00 C ATOM 0 H THR A 86 17.115 -10.935 6.118 1.00 0.00 H new ATOM 0 HA THR A 86 19.905 -11.362 6.950 1.00 0.00 H new ATOM 0 HB THR A 86 17.730 -9.740 8.294 1.00 0.00 H new ATOM 0 HG1 THR A 86 18.849 -7.953 7.221 1.00 0.00 H new ATOM 0 HG21 THR A 86 19.658 -8.646 9.385 1.00 0.00 H new ATOM 0 HG22 THR A 86 19.634 -10.393 9.724 1.00 0.00 H new ATOM 0 HG23 THR A 86 20.767 -9.736 8.520 1.00 0.00 H new ATOM 1336 N THR A 87 19.405 -12.979 8.777 1.00 0.00 N ATOM 1337 CA THR A 87 19.131 -14.011 9.720 1.00 0.00 C ATOM 1338 C THR A 87 19.468 -13.513 11.119 1.00 0.00 C ATOM 1339 O THR A 87 20.613 -13.155 11.400 1.00 0.00 O ATOM 1340 CB THR A 87 19.962 -15.261 9.387 1.00 0.00 C ATOM 1341 OG1 THR A 87 19.696 -15.648 8.021 1.00 0.00 O ATOM 1342 CG2 THR A 87 19.593 -16.411 10.310 1.00 0.00 C ATOM 0 H THR A 87 20.396 -12.823 8.593 1.00 0.00 H new ATOM 0 HA THR A 87 18.074 -14.275 9.675 1.00 0.00 H new ATOM 0 HB THR A 87 21.019 -15.030 9.520 1.00 0.00 H new ATOM 0 HG1 THR A 87 20.223 -16.444 7.798 1.00 0.00 H new ATOM 0 HG21 THR A 87 20.192 -17.286 10.058 1.00 0.00 H new ATOM 0 HG22 THR A 87 19.786 -16.124 11.344 1.00 0.00 H new ATOM 0 HG23 THR A 87 18.536 -16.648 10.191 1.00 0.00 H new ATOM 1350 N MET A 88 18.480 -13.463 11.974 1.00 0.00 N ATOM 1351 CA MET A 88 18.684 -13.001 13.323 1.00 0.00 C ATOM 1352 C MET A 88 18.296 -14.077 14.305 1.00 0.00 C ATOM 1353 O MET A 88 17.297 -14.771 14.113 1.00 0.00 O ATOM 1354 CB MET A 88 17.897 -11.712 13.580 1.00 0.00 C ATOM 1355 CG MET A 88 18.346 -10.543 12.715 1.00 0.00 C ATOM 1356 SD MET A 88 17.443 -9.018 13.053 1.00 0.00 S ATOM 1357 CE MET A 88 18.317 -7.871 11.994 1.00 0.00 C ATOM 0 H MET A 88 17.522 -13.738 11.759 1.00 0.00 H new ATOM 0 HA MET A 88 19.742 -12.777 13.459 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.838 -11.900 13.401 1.00 0.00 H new ATOM 0 HB3 MET A 88 17.999 -11.437 14.630 1.00 0.00 H new ATOM 0 HG2 MET A 88 19.410 -10.370 12.874 1.00 0.00 H new ATOM 0 HG3 MET A 88 18.219 -10.807 11.665 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.876 -6.879 12.090 1.00 0.00 H new ATOM 0 HE2 MET A 88 19.366 -7.832 12.287 1.00 0.00 H new ATOM 0 HE3 MET A 88 18.242 -8.203 10.958 1.00 0.00 H new ATOM 1367 N HIS A 89 19.080 -14.233 15.336 1.00 0.00 N ATOM 1368 CA HIS A 89 18.823 -15.242 16.330 1.00 0.00 C ATOM 1369 C HIS A 89 18.126 -14.623 17.514 1.00 0.00 C ATOM 1370 O HIS A 89 18.618 -13.664 18.116 1.00 0.00 O ATOM 1371 CB HIS A 89 20.124 -15.938 16.770 1.00 0.00 C ATOM 1372 CG HIS A 89 19.920 -17.084 17.741 1.00 0.00 C ATOM 1373 ND1 HIS A 89 20.521 -17.146 18.973 1.00 0.00 N ATOM 1374 CD2 HIS A 89 19.202 -18.227 17.624 1.00 0.00 C ATOM 1375 CE1 HIS A 89 20.183 -18.266 19.571 1.00 0.00 C ATOM 1376 NE2 HIS A 89 19.382 -18.946 18.774 1.00 0.00 N ATOM 0 H HIS A 89 19.911 -13.668 15.512 1.00 0.00 H new ATOM 0 HA HIS A 89 18.177 -16.002 15.891 1.00 0.00 H new ATOM 0 HB2 HIS A 89 20.638 -16.314 15.886 1.00 0.00 H new ATOM 0 HB3 HIS A 89 20.780 -15.199 17.231 1.00 0.00 H new ATOM 0 HD1 HIS A 89 21.136 -16.432 19.364 1.00 0.00 H new ATOM 0 HD2 HIS A 89 18.598 -18.518 16.777 1.00 0.00 H new ATOM 0 HE1 HIS A 89 20.507 -18.578 20.553 1.00 0.00 H new ATOM 1385 N VAL A 90 17.000 -15.164 17.826 1.00 0.00 N ATOM 1386 CA VAL A 90 16.200 -14.717 18.918 1.00 0.00 C ATOM 1387 C VAL A 90 16.466 -15.576 20.101 1.00 0.00 C ATOM 1388 O VAL A 90 16.331 -16.803 20.054 1.00 0.00 O ATOM 1389 CB VAL A 90 14.693 -14.742 18.572 1.00 0.00 C ATOM 1390 CG1 VAL A 90 13.849 -14.317 19.757 1.00 0.00 C ATOM 1391 CG2 VAL A 90 14.413 -13.846 17.392 1.00 0.00 C ATOM 0 H VAL A 90 16.597 -15.951 17.317 1.00 0.00 H new ATOM 0 HA VAL A 90 16.467 -13.683 19.138 1.00 0.00 H new ATOM 0 HB VAL A 90 14.426 -15.767 18.315 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.795 -14.345 19.482 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.024 -14.997 20.591 1.00 0.00 H new ATOM 0 HG13 VAL A 90 14.120 -13.303 20.052 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.349 -13.873 17.159 1.00 0.00 H new ATOM 0 HG22 VAL A 90 14.706 -12.824 17.633 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.982 -14.192 16.529 1.00 0.00 H new ATOM 1401 N ILE A 91 16.869 -14.943 21.126 1.00 0.00 N ATOM 1402 CA ILE A 91 17.141 -15.571 22.345 1.00 0.00 C ATOM 1403 C ILE A 91 15.976 -15.397 23.274 1.00 0.00 C ATOM 1404 O ILE A 91 15.556 -14.267 23.580 1.00 0.00 O ATOM 1405 CB ILE A 91 18.432 -15.022 22.960 1.00 0.00 C ATOM 1406 CG1 ILE A 91 19.640 -15.440 22.111 1.00 0.00 C ATOM 1407 CG2 ILE A 91 18.601 -15.449 24.425 1.00 0.00 C ATOM 1408 CD1 ILE A 91 20.962 -14.969 22.653 1.00 0.00 C ATOM 0 H ILE A 91 17.024 -13.935 21.138 1.00 0.00 H new ATOM 0 HA ILE A 91 17.289 -16.637 22.173 1.00 0.00 H new ATOM 0 HB ILE A 91 18.367 -13.934 22.961 1.00 0.00 H new ATOM 0 HG12 ILE A 91 19.658 -16.527 22.033 1.00 0.00 H new ATOM 0 HG13 ILE A 91 19.513 -15.050 21.101 1.00 0.00 H new ATOM 0 HG21 ILE A 91 19.530 -15.037 24.819 1.00 0.00 H new ATOM 0 HG22 ILE A 91 17.761 -15.077 25.012 1.00 0.00 H new ATOM 0 HG23 ILE A 91 18.632 -16.537 24.486 1.00 0.00 H new ATOM 0 HD11 ILE A 91 21.765 -15.305 21.997 1.00 0.00 H new ATOM 0 HD12 ILE A 91 20.967 -13.880 22.705 1.00 0.00 H new ATOM 0 HD13 ILE A 91 21.113 -15.380 23.651 1.00 0.00 H new ATOM 1420 N ILE A 92 15.452 -16.510 23.690 1.00 0.00 N ATOM 1421 CA ILE A 92 14.366 -16.559 24.603 1.00 0.00 C ATOM 1422 C ILE A 92 14.942 -16.547 25.994 1.00 0.00 C ATOM 1423 O ILE A 92 15.778 -17.386 26.339 1.00 0.00 O ATOM 1424 CB ILE A 92 13.489 -17.854 24.400 1.00 0.00 C ATOM 1425 CG1 ILE A 92 12.662 -17.827 23.088 1.00 0.00 C ATOM 1426 CG2 ILE A 92 12.560 -18.075 25.580 1.00 0.00 C ATOM 1427 CD1 ILE A 92 13.436 -17.760 21.788 1.00 0.00 C ATOM 0 H ILE A 92 15.781 -17.429 23.393 1.00 0.00 H new ATOM 0 HA ILE A 92 13.714 -15.701 24.436 1.00 0.00 H new ATOM 0 HB ILE A 92 14.193 -18.683 24.328 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.036 -18.719 23.064 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.992 -16.968 23.128 1.00 0.00 H new ATOM 0 HG21 ILE A 92 11.967 -18.975 25.413 1.00 0.00 H new ATOM 0 HG22 ILE A 92 13.149 -18.192 26.490 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.896 -17.217 25.686 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.739 -17.747 20.950 1.00 0.00 H new ATOM 0 HD12 ILE A 92 14.041 -16.853 21.771 1.00 0.00 H new ATOM 0 HD13 ILE A 92 14.086 -18.631 21.706 1.00 0.00 H new ATOM 1439 N GLN A 93 14.537 -15.591 26.768 1.00 0.00 N ATOM 1440 CA GLN A 93 15.014 -15.452 28.092 1.00 0.00 C ATOM 1441 C GLN A 93 13.971 -15.977 29.035 1.00 0.00 C ATOM 1442 O GLN A 93 12.893 -15.418 29.149 1.00 0.00 O ATOM 1443 CB GLN A 93 15.323 -13.981 28.383 1.00 0.00 C ATOM 1444 CG GLN A 93 16.374 -13.390 27.456 1.00 0.00 C ATOM 1445 CD GLN A 93 16.632 -11.925 27.720 1.00 0.00 C ATOM 1446 OE1 GLN A 93 17.478 -11.570 28.523 1.00 0.00 O ATOM 1447 NE2 GLN A 93 15.924 -11.066 27.030 1.00 0.00 N ATOM 0 H GLN A 93 13.859 -14.882 26.489 1.00 0.00 H new ATOM 0 HA GLN A 93 15.935 -16.021 28.223 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.405 -13.400 28.296 1.00 0.00 H new ATOM 0 HB3 GLN A 93 15.664 -13.886 29.414 1.00 0.00 H new ATOM 0 HG2 GLN A 93 17.305 -13.944 27.570 1.00 0.00 H new ATOM 0 HG3 GLN A 93 16.052 -13.517 26.422 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.224 -11.398 26.366 1.00 0.00 H new ATOM 0 HE22 GLN A 93 16.072 -10.065 27.156 1.00 0.00 H new ATOM 1456 N ALA A 94 14.279 -17.074 29.660 1.00 0.00 N ATOM 1457 CA ALA A 94 13.395 -17.679 30.622 1.00 0.00 C ATOM 1458 C ALA A 94 13.420 -16.872 31.912 1.00 0.00 C ATOM 1459 O ALA A 94 14.468 -16.771 32.567 1.00 0.00 O ATOM 1460 CB ALA A 94 13.805 -19.125 30.880 1.00 0.00 C ATOM 0 H ALA A 94 15.153 -17.580 29.519 1.00 0.00 H new ATOM 0 HA ALA A 94 12.379 -17.682 30.228 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.128 -19.570 31.609 1.00 0.00 H new ATOM 0 HB2 ALA A 94 13.757 -19.689 29.948 1.00 0.00 H new ATOM 0 HB3 ALA A 94 14.824 -19.151 31.267 1.00 0.00 H new