USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 617 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 19 HIS : no HE2:sc= 1.23 K(o=2.7,f=-7.5!) USER MOD Set 1.2: A 20 ASN : amide:sc= 0.255 K(o=2.7,f=0.19) USER MOD Set 1.3: A 23 SER OG : rot 179:sc= 1.21 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0996 USER MOD Single : A 15 SER OG : rot -47:sc= 1.22 USER MOD Single : A 16 SER OG : rot 73:sc= 1.25 USER MOD Single : A 21 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 28 LYS NZ :NH3+ -148:sc= 1.21 (180deg=-1.1) USER MOD Single : A 31 SER OG : rot 180:sc= 0.191 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -105:sc= 0.98 USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= 1.28 (180deg=0.428) USER MOD Single : A 55 SER OG : rot 53:sc= 1.08 USER MOD Single : A 59 TYR OH : rot 36:sc= 1.12 USER MOD Single : A 64 SER OG : rot -152:sc= 0.87 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -21:sc= 0.642 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -3.191 11.813 -14.291 1.00 10.00 N ATOM 95 CA LEU A 6 -2.417 11.192 -13.216 1.00 10.00 C ATOM 96 C LEU A 6 -1.195 12.072 -12.925 1.00 10.00 C ATOM 97 O LEU A 6 -0.284 12.187 -13.742 1.00 10.00 O ATOM 98 CB LEU A 6 -2.063 9.743 -13.584 1.00 10.00 C ATOM 99 CG LEU A 6 -3.285 8.807 -13.726 1.00 10.00 C ATOM 100 CD1 LEU A 6 -2.801 7.369 -13.938 1.00 10.00 C ATOM 101 CD2 LEU A 6 -4.226 8.828 -12.513 1.00 10.00 C ATOM 0 HA LEU A 6 -3.000 11.128 -12.297 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -1.509 9.744 -14.523 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -1.397 9.339 -12.822 1.00 10.00 H new ATOM 0 HG LEU A 6 -3.853 9.174 -14.581 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -3.661 6.707 -14.038 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -2.196 7.318 -14.843 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -2.201 7.057 -13.083 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -5.059 8.147 -12.687 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -3.680 8.514 -11.623 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -4.608 9.838 -12.366 1.00 10.00 H new ATOM 113 N THR A 7 -1.235 12.753 -11.776 1.00 10.00 N ATOM 114 CA THR A 7 -0.317 13.836 -11.419 1.00 10.00 C ATOM 115 C THR A 7 -0.042 13.880 -9.914 1.00 10.00 C ATOM 116 O THR A 7 -0.498 13.008 -9.174 1.00 10.00 O ATOM 117 CB THR A 7 -0.940 15.158 -11.917 1.00 10.00 C ATOM 118 OG1 THR A 7 0.024 16.184 -12.011 1.00 10.00 O ATOM 119 CG2 THR A 7 -2.099 15.679 -11.055 1.00 10.00 C ATOM 0 H THR A 7 -1.925 12.560 -11.050 1.00 10.00 H new ATOM 0 HA THR A 7 0.651 13.671 -11.893 1.00 10.00 H new ATOM 0 HB THR A 7 -1.339 14.905 -12.899 1.00 10.00 H new ATOM 0 HG1 THR A 7 -0.403 17.006 -12.331 1.00 10.00 H new ATOM 0 HG21 THR A 7 -2.476 16.610 -11.477 1.00 10.00 H new ATOM 0 HG22 THR A 7 -2.899 14.939 -11.035 1.00 10.00 H new ATOM 0 HG23 THR A 7 -1.745 15.858 -10.040 1.00 10.00 H new ATOM 127 N GLU A 8 0.645 14.946 -9.488 1.00 10.00 N ATOM 128 CA GLU A 8 0.958 15.395 -8.121 1.00 10.00 C ATOM 129 C GLU A 8 -0.305 15.748 -7.289 1.00 10.00 C ATOM 130 O GLU A 8 -0.390 16.790 -6.640 1.00 10.00 O ATOM 131 CB GLU A 8 1.931 16.589 -8.225 1.00 10.00 C ATOM 132 CG GLU A 8 3.270 16.229 -8.893 1.00 10.00 C ATOM 133 CD GLU A 8 4.044 17.492 -9.285 1.00 10.00 C ATOM 134 OE1 GLU A 8 3.763 18.008 -10.391 1.00 10.00 O ATOM 135 OE2 GLU A 8 4.902 17.926 -8.484 1.00 10.00 O ATOM 0 H GLU A 8 1.042 15.591 -10.171 1.00 10.00 H new ATOM 0 HA GLU A 8 1.425 14.573 -7.578 1.00 10.00 H new ATOM 0 HB2 GLU A 8 1.454 17.389 -8.792 1.00 10.00 H new ATOM 0 HB3 GLU A 8 2.125 16.978 -7.226 1.00 10.00 H new ATOM 0 HG2 GLU A 8 3.871 15.627 -8.211 1.00 10.00 H new ATOM 0 HG3 GLU A 8 3.087 15.621 -9.779 1.00 10.00 H new ATOM 142 N GLY A 9 -1.324 14.891 -7.372 1.00 10.00 N ATOM 143 CA GLY A 9 -2.535 14.896 -6.563 1.00 10.00 C ATOM 144 C GLY A 9 -3.247 13.549 -6.673 1.00 10.00 C ATOM 145 O GLY A 9 -3.391 12.839 -5.681 1.00 10.00 O ATOM 0 H GLY A 9 -1.321 14.129 -8.050 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -2.285 15.100 -5.522 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -3.199 15.695 -6.894 1.00 10.00 H new ATOM 149 N ASP A 10 -3.616 13.152 -7.897 1.00 10.00 N ATOM 150 CA ASP A 10 -4.232 11.852 -8.180 1.00 10.00 C ATOM 151 C ASP A 10 -3.310 10.672 -7.816 1.00 10.00 C ATOM 152 O ASP A 10 -3.762 9.690 -7.226 1.00 10.00 O ATOM 153 CB ASP A 10 -4.612 11.798 -9.670 1.00 10.00 C ATOM 154 CG ASP A 10 -5.686 12.826 -10.048 1.00 10.00 C ATOM 155 OD1 ASP A 10 -5.348 14.033 -10.071 1.00 10.00 O ATOM 156 OD2 ASP A 10 -6.830 12.396 -10.325 1.00 10.00 O ATOM 0 H ASP A 10 -3.493 13.732 -8.727 1.00 10.00 H new ATOM 0 HA ASP A 10 -5.122 11.753 -7.558 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -3.721 11.971 -10.274 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -4.972 10.798 -9.912 1.00 10.00 H new ATOM 161 N LEU A 11 -2.011 10.757 -8.141 1.00 10.00 N ATOM 162 CA LEU A 11 -1.039 9.732 -7.752 1.00 10.00 C ATOM 163 C LEU A 11 -0.758 9.736 -6.241 1.00 10.00 C ATOM 164 O LEU A 11 -0.613 8.669 -5.648 1.00 10.00 O ATOM 165 CB LEU A 11 0.251 9.885 -8.573 1.00 10.00 C ATOM 166 CG LEU A 11 0.066 9.674 -10.089 1.00 10.00 C ATOM 167 CD1 LEU A 11 1.388 9.927 -10.818 1.00 10.00 C ATOM 168 CD2 LEU A 11 -0.419 8.253 -10.410 1.00 10.00 C ATOM 0 H LEU A 11 -1.611 11.529 -8.674 1.00 10.00 H new ATOM 0 HA LEU A 11 -1.475 8.758 -7.975 1.00 10.00 H new ATOM 0 HB2 LEU A 11 0.660 10.881 -8.404 1.00 10.00 H new ATOM 0 HB3 LEU A 11 0.988 9.171 -8.206 1.00 10.00 H new ATOM 0 HG LEU A 11 -0.692 10.381 -10.427 1.00 10.00 H new ATOM 0 HD11 LEU A 11 1.248 9.776 -11.888 1.00 10.00 H new ATOM 0 HD12 LEU A 11 1.714 10.951 -10.636 1.00 10.00 H new ATOM 0 HD13 LEU A 11 2.145 9.235 -10.450 1.00 10.00 H new ATOM 0 HD21 LEU A 11 -0.537 8.144 -11.488 1.00 10.00 H new ATOM 0 HD22 LEU A 11 0.312 7.529 -10.050 1.00 10.00 H new ATOM 0 HD23 LEU A 11 -1.376 8.076 -9.920 1.00 10.00 H new ATOM 180 N ASP A 12 -0.724 10.907 -5.600 1.00 10.00 N ATOM 181 CA ASP A 12 -0.573 11.051 -4.150 1.00 10.00 C ATOM 182 C ASP A 12 -1.769 10.454 -3.387 1.00 10.00 C ATOM 183 O ASP A 12 -1.575 9.770 -2.374 1.00 10.00 O ATOM 184 CB ASP A 12 -0.390 12.535 -3.795 1.00 10.00 C ATOM 185 CG ASP A 12 0.794 13.159 -4.536 1.00 10.00 C ATOM 186 OD1 ASP A 12 0.677 13.291 -5.776 1.00 10.00 O ATOM 187 OD2 ASP A 12 1.797 13.479 -3.863 1.00 10.00 O ATOM 0 H ASP A 12 -0.802 11.801 -6.085 1.00 10.00 H new ATOM 0 HA ASP A 12 0.312 10.493 -3.844 1.00 10.00 H new ATOM 0 HB2 ASP A 12 -1.300 13.082 -4.041 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -0.239 12.635 -2.720 1.00 10.00 H new ATOM 192 N GLU A 13 -2.991 10.642 -3.904 1.00 10.00 N ATOM 193 CA GLU A 13 -4.208 9.980 -3.425 1.00 10.00 C ATOM 194 C GLU A 13 -4.109 8.451 -3.555 1.00 10.00 C ATOM 195 O GLU A 13 -4.423 7.744 -2.596 1.00 10.00 O ATOM 196 CB GLU A 13 -5.426 10.545 -4.178 1.00 10.00 C ATOM 197 CG GLU A 13 -6.758 10.025 -3.625 1.00 10.00 C ATOM 198 CD GLU A 13 -7.945 10.669 -4.353 1.00 10.00 C ATOM 199 OE1 GLU A 13 -8.328 10.133 -5.418 1.00 10.00 O ATOM 200 OE2 GLU A 13 -8.457 11.687 -3.836 1.00 10.00 O ATOM 0 H GLU A 13 -3.163 11.274 -4.686 1.00 10.00 H new ATOM 0 HA GLU A 13 -4.330 10.187 -2.362 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -5.412 11.633 -4.117 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -5.349 10.283 -5.233 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -6.803 8.942 -3.736 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -6.821 10.239 -2.558 1.00 10.00 H new ATOM 207 N ILE A 14 -3.572 7.931 -4.671 1.00 10.00 N ATOM 208 CA ILE A 14 -3.299 6.491 -4.812 1.00 10.00 C ATOM 209 C ILE A 14 -2.226 6.053 -3.805 1.00 10.00 C ATOM 210 O ILE A 14 -2.420 5.048 -3.127 1.00 10.00 O ATOM 211 CB ILE A 14 -2.908 6.135 -6.267 1.00 10.00 C ATOM 212 CG1 ILE A 14 -4.163 6.215 -7.165 1.00 10.00 C ATOM 213 CG2 ILE A 14 -2.258 4.738 -6.371 1.00 10.00 C ATOM 214 CD1 ILE A 14 -3.884 6.073 -8.668 1.00 10.00 C ATOM 0 H ILE A 14 -3.318 8.486 -5.488 1.00 10.00 H new ATOM 0 HA ILE A 14 -4.212 5.939 -4.588 1.00 10.00 H new ATOM 0 HB ILE A 14 -2.163 6.856 -6.604 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.860 5.433 -6.863 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.659 7.170 -6.990 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -2.001 4.533 -7.410 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.355 4.711 -5.762 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -2.959 3.983 -6.015 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.821 6.141 -9.220 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -3.214 6.870 -8.991 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -3.418 5.107 -8.862 1.00 10.00 H new ATOM 226 N SER A 15 -1.144 6.819 -3.622 1.00 10.00 N ATOM 227 CA SER A 15 -0.113 6.514 -2.620 1.00 10.00 C ATOM 228 C SER A 15 -0.700 6.456 -1.197 1.00 10.00 C ATOM 229 O SER A 15 -0.364 5.570 -0.409 1.00 10.00 O ATOM 230 CB SER A 15 1.027 7.540 -2.729 1.00 10.00 C ATOM 231 OG SER A 15 0.780 8.729 -2.002 1.00 10.00 O ATOM 0 H SER A 15 -0.958 7.665 -4.161 1.00 10.00 H new ATOM 0 HA SER A 15 0.291 5.522 -2.823 1.00 10.00 H new ATOM 0 HB2 SER A 15 1.950 7.087 -2.368 1.00 10.00 H new ATOM 0 HB3 SER A 15 1.183 7.790 -3.779 1.00 10.00 H new ATOM 0 HG SER A 15 -0.129 9.043 -2.188 1.00 10.00 H new ATOM 237 N SER A 16 -1.657 7.345 -0.910 1.00 10.00 N ATOM 238 CA SER A 16 -2.370 7.423 0.363 1.00 10.00 C ATOM 239 C SER A 16 -3.298 6.216 0.539 1.00 10.00 C ATOM 240 O SER A 16 -3.298 5.583 1.595 1.00 10.00 O ATOM 241 CB SER A 16 -3.179 8.728 0.420 1.00 10.00 C ATOM 242 OG SER A 16 -2.370 9.859 0.144 1.00 10.00 O ATOM 0 H SER A 16 -1.964 8.050 -1.580 1.00 10.00 H new ATOM 0 HA SER A 16 -1.643 7.413 1.175 1.00 10.00 H new ATOM 0 HB2 SER A 16 -3.996 8.681 -0.299 1.00 10.00 H new ATOM 0 HB3 SER A 16 -3.629 8.834 1.407 1.00 10.00 H new ATOM 0 HG SER A 16 -2.151 9.879 -0.811 1.00 10.00 H new ATOM 248 N PHE A 17 -4.030 5.841 -0.518 1.00 10.00 N ATOM 249 CA PHE A 17 -4.859 4.636 -0.560 1.00 10.00 C ATOM 250 C PHE A 17 -4.030 3.355 -0.367 1.00 10.00 C ATOM 251 O PHE A 17 -4.441 2.468 0.387 1.00 10.00 O ATOM 252 CB PHE A 17 -5.623 4.637 -1.893 1.00 10.00 C ATOM 253 CG PHE A 17 -6.373 3.361 -2.216 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.524 3.014 -1.485 1.00 10.00 C ATOM 255 CD2 PHE A 17 -5.928 2.528 -3.262 1.00 10.00 C ATOM 256 CE1 PHE A 17 -8.232 1.842 -1.803 1.00 10.00 C ATOM 257 CE2 PHE A 17 -6.639 1.358 -3.582 1.00 10.00 C ATOM 258 CZ PHE A 17 -7.794 1.020 -2.855 1.00 10.00 C ATOM 0 H PHE A 17 -4.061 6.380 -1.384 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.566 4.646 0.269 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.334 5.463 -1.884 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.915 4.835 -2.698 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -7.864 3.648 -0.679 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -5.040 2.789 -3.818 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -9.113 1.573 -1.239 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -6.299 0.720 -4.384 1.00 10.00 H new ATOM 0 HZ PHE A 17 -8.346 0.126 -3.106 1.00 10.00 H new ATOM 268 N LEU A 18 -2.846 3.274 -0.988 1.00 10.00 N ATOM 269 CA LEU A 18 -1.904 2.167 -0.813 1.00 10.00 C ATOM 270 C LEU A 18 -1.379 2.086 0.625 1.00 10.00 C ATOM 271 O LEU A 18 -1.487 1.020 1.231 1.00 10.00 O ATOM 272 CB LEU A 18 -0.750 2.298 -1.823 1.00 10.00 C ATOM 273 CG LEU A 18 -1.162 2.056 -3.287 1.00 10.00 C ATOM 274 CD1 LEU A 18 0.001 2.423 -4.213 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.569 0.607 -3.543 1.00 10.00 C ATOM 0 H LEU A 18 -2.513 3.988 -1.636 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.435 1.235 -1.005 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.320 3.296 -1.739 1.00 10.00 H new ATOM 0 HB3 LEU A 18 0.034 1.589 -1.556 1.00 10.00 H new ATOM 0 HG LEU A 18 -2.028 2.685 -3.490 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -0.291 2.252 -5.249 1.00 10.00 H new ATOM 0 HD12 LEU A 18 0.257 3.474 -4.077 1.00 10.00 H new ATOM 0 HD13 LEU A 18 0.866 1.805 -3.973 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -1.851 0.488 -4.589 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -0.731 -0.052 -3.315 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -2.416 0.349 -2.907 1.00 10.00 H new ATOM 287 N HIS A 19 -0.898 3.195 1.215 1.00 10.00 N ATOM 288 CA HIS A 19 -0.502 3.207 2.624 1.00 10.00 C ATOM 289 C HIS A 19 -1.646 2.752 3.529 1.00 10.00 C ATOM 290 O HIS A 19 -1.451 1.854 4.348 1.00 10.00 O ATOM 291 CB HIS A 19 -0.058 4.619 3.044 1.00 10.00 C ATOM 292 CG HIS A 19 -0.109 4.808 4.545 1.00 10.00 C ATOM 293 ND1 HIS A 19 -1.083 5.501 5.236 1.00 10.00 N ATOM 294 CD2 HIS A 19 0.578 4.069 5.473 1.00 10.00 C ATOM 295 CE1 HIS A 19 -0.950 5.222 6.541 1.00 10.00 C ATOM 296 NE2 HIS A 19 0.043 4.342 6.738 1.00 10.00 N ATOM 0 H HIS A 19 -0.777 4.087 0.736 1.00 10.00 H new ATOM 0 HA HIS A 19 0.329 2.511 2.735 1.00 10.00 H new ATOM 0 HB2 HIS A 19 0.957 4.800 2.690 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.699 5.358 2.564 1.00 10.00 H new ATOM 0 HD1 HIS A 19 -1.783 6.119 4.825 1.00 10.00 H new ATOM 0 HD2 HIS A 19 1.393 3.392 5.264 1.00 10.00 H new ATOM 0 HE1 HIS A 19 -1.559 5.647 7.325 1.00 10.00 H new ATOM 304 N ASN A 20 -2.840 3.333 3.356 1.00 10.00 N ATOM 305 CA ASN A 20 -3.974 3.027 4.215 1.00 10.00 C ATOM 306 C ASN A 20 -4.371 1.547 4.074 1.00 10.00 C ATOM 307 O ASN A 20 -4.647 0.897 5.078 1.00 10.00 O ATOM 308 CB ASN A 20 -5.133 3.988 3.899 1.00 10.00 C ATOM 309 CG ASN A 20 -4.839 5.452 4.232 1.00 10.00 C ATOM 310 OD1 ASN A 20 -3.782 5.836 4.718 1.00 10.00 O ATOM 311 ND2 ASN A 20 -5.792 6.328 3.984 1.00 10.00 N ATOM 0 H ASN A 20 -3.038 4.017 2.626 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.701 3.176 5.260 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -5.377 3.910 2.840 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -6.016 3.670 4.454 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -5.646 7.315 4.197 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -6.676 6.019 3.579 1.00 10.00 H new ATOM 318 N THR A 21 -4.303 0.990 2.858 1.00 10.00 N ATOM 319 CA THR A 21 -4.566 -0.433 2.591 1.00 10.00 C ATOM 320 C THR A 21 -3.583 -1.347 3.336 1.00 10.00 C ATOM 321 O THR A 21 -4.017 -2.293 3.993 1.00 10.00 O ATOM 322 CB THR A 21 -4.524 -0.715 1.074 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.455 0.105 0.406 1.00 10.00 O ATOM 324 CG2 THR A 21 -4.879 -2.161 0.731 1.00 10.00 C ATOM 0 H THR A 21 -4.061 1.520 2.021 1.00 10.00 H new ATOM 0 HA THR A 21 -5.565 -0.656 2.964 1.00 10.00 H new ATOM 0 HB THR A 21 -3.501 -0.513 0.758 1.00 10.00 H new ATOM 0 HG1 THR A 21 -5.023 0.945 0.146 1.00 10.00 H new ATOM 0 HG21 THR A 21 -4.833 -2.301 -0.349 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.171 -2.834 1.214 1.00 10.00 H new ATOM 0 HG23 THR A 21 -5.887 -2.381 1.083 1.00 10.00 H new ATOM 332 N ILE A 22 -2.274 -1.055 3.287 1.00 10.00 N ATOM 333 CA ILE A 22 -1.247 -1.847 3.988 1.00 10.00 C ATOM 334 C ILE A 22 -1.387 -1.693 5.504 1.00 10.00 C ATOM 335 O ILE A 22 -1.396 -2.695 6.223 1.00 10.00 O ATOM 336 CB ILE A 22 0.166 -1.429 3.529 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.328 -1.700 2.026 1.00 10.00 C ATOM 338 CG2 ILE A 22 1.308 -2.150 4.278 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.680 -1.246 1.496 1.00 10.00 C ATOM 0 H ILE A 22 -1.897 -0.266 2.762 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.394 -2.897 3.736 1.00 10.00 H new ATOM 0 HB ILE A 22 0.248 -0.366 3.757 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.206 -2.767 1.837 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.464 -1.187 1.480 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.269 -1.802 3.898 1.00 10.00 H new ATOM 0 HG22 ILE A 22 1.239 -1.932 5.344 1.00 10.00 H new ATOM 0 HG23 ILE A 22 1.224 -3.225 4.121 1.00 10.00 H new ATOM 0 HD11 ILE A 22 1.743 -1.460 0.429 1.00 10.00 H new ATOM 0 HD12 ILE A 22 1.793 -0.174 1.658 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.474 -1.778 2.021 1.00 10.00 H new ATOM 351 N SER A 23 -1.521 -0.453 5.987 1.00 10.00 N ATOM 352 CA SER A 23 -1.676 -0.160 7.410 1.00 10.00 C ATOM 353 C SER A 23 -2.923 -0.842 7.985 1.00 10.00 C ATOM 354 O SER A 23 -2.817 -1.520 9.007 1.00 10.00 O ATOM 355 CB SER A 23 -1.673 1.352 7.644 1.00 10.00 C ATOM 356 OG SER A 23 -0.337 1.789 7.493 1.00 10.00 O ATOM 0 H SER A 23 -1.525 0.378 5.396 1.00 10.00 H new ATOM 0 HA SER A 23 -0.824 -0.574 7.949 1.00 10.00 H new ATOM 0 HB2 SER A 23 -2.326 1.854 6.931 1.00 10.00 H new ATOM 0 HB3 SER A 23 -2.046 1.589 8.640 1.00 10.00 H new ATOM 0 HG SER A 23 -0.295 2.761 7.613 1.00 10.00 H new ATOM 362 N ASP A 24 -4.073 -0.772 7.297 1.00 10.00 N ATOM 363 CA ASP A 24 -5.252 -1.565 7.649 1.00 10.00 C ATOM 364 C ASP A 24 -5.041 -3.080 7.564 1.00 10.00 C ATOM 365 O ASP A 24 -5.534 -3.778 8.446 1.00 10.00 O ATOM 366 CB ASP A 24 -6.462 -1.197 6.776 1.00 10.00 C ATOM 367 CG ASP A 24 -7.217 0.066 7.206 1.00 10.00 C ATOM 368 OD1 ASP A 24 -6.588 1.044 7.658 1.00 10.00 O ATOM 369 OD2 ASP A 24 -8.470 -0.022 7.145 1.00 10.00 O ATOM 0 H ASP A 24 -4.208 -0.167 6.487 1.00 10.00 H new ATOM 0 HA ASP A 24 -5.440 -1.314 8.693 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.122 -1.066 5.749 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.159 -2.035 6.777 1.00 10.00 H new ATOM 374 N PHE A 25 -4.309 -3.613 6.575 1.00 10.00 N ATOM 375 CA PHE A 25 -4.053 -5.058 6.508 1.00 10.00 C ATOM 376 C PHE A 25 -3.269 -5.530 7.737 1.00 10.00 C ATOM 377 O PHE A 25 -3.657 -6.503 8.389 1.00 10.00 O ATOM 378 CB PHE A 25 -3.316 -5.405 5.204 1.00 10.00 C ATOM 379 CG PHE A 25 -3.224 -6.897 4.938 1.00 10.00 C ATOM 380 CD1 PHE A 25 -2.270 -7.687 5.610 1.00 10.00 C ATOM 381 CD2 PHE A 25 -4.109 -7.504 4.026 1.00 10.00 C ATOM 382 CE1 PHE A 25 -2.227 -9.075 5.398 1.00 10.00 C ATOM 383 CE2 PHE A 25 -4.070 -8.893 3.819 1.00 10.00 C ATOM 384 CZ PHE A 25 -3.137 -9.680 4.515 1.00 10.00 C ATOM 0 H PHE A 25 -3.888 -3.072 5.819 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.008 -5.584 6.509 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -3.827 -4.926 4.369 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.310 -4.988 5.243 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.570 -7.224 6.290 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -4.821 -6.899 3.484 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -1.494 -9.677 5.914 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -4.757 -9.356 3.125 1.00 10.00 H new ATOM 0 HZ PHE A 25 -3.119 -10.750 4.371 1.00 10.00 H new ATOM 394 N ILE A 26 -2.219 -4.788 8.112 1.00 10.00 N ATOM 395 CA ILE A 26 -1.431 -5.050 9.303 1.00 10.00 C ATOM 396 C ILE A 26 -2.325 -4.938 10.547 1.00 10.00 C ATOM 397 O ILE A 26 -2.416 -5.907 11.298 1.00 10.00 O ATOM 398 CB ILE A 26 -0.217 -4.099 9.301 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.757 -4.475 8.156 1.00 10.00 C ATOM 400 CG2 ILE A 26 0.489 -4.169 10.655 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.888 -3.466 7.922 1.00 10.00 C ATOM 0 H ILE A 26 -1.896 -3.979 7.582 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.037 -6.066 9.317 1.00 10.00 H new ATOM 0 HB ILE A 26 -0.559 -3.078 9.134 1.00 10.00 H new ATOM 0 HG12 ILE A 26 1.196 -5.448 8.375 1.00 10.00 H new ATOM 0 HG13 ILE A 26 0.187 -4.583 7.233 1.00 10.00 H new ATOM 0 HG21 ILE A 26 1.347 -3.497 10.653 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -0.204 -3.871 11.442 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.828 -5.189 10.836 1.00 10.00 H new ATOM 0 HD11 ILE A 26 2.519 -3.811 7.103 1.00 10.00 H new ATOM 0 HD12 ILE A 26 1.463 -2.495 7.668 1.00 10.00 H new ATOM 0 HD13 ILE A 26 2.487 -3.374 8.828 1.00 10.00 H new ATOM 413 N LEU A 27 -3.054 -3.827 10.730 1.00 10.00 N ATOM 414 CA LEU A 27 -3.953 -3.630 11.880 1.00 10.00 C ATOM 415 C LEU A 27 -5.141 -4.613 11.933 1.00 10.00 C ATOM 416 O LEU A 27 -5.776 -4.733 12.981 1.00 10.00 O ATOM 417 CB LEU A 27 -4.428 -2.163 11.938 1.00 10.00 C ATOM 418 CG LEU A 27 -3.538 -1.258 12.815 1.00 10.00 C ATOM 419 CD1 LEU A 27 -2.069 -1.196 12.385 1.00 10.00 C ATOM 420 CD2 LEU A 27 -4.103 0.165 12.814 1.00 10.00 C ATOM 0 H LEU A 27 -3.038 -3.038 10.084 1.00 10.00 H new ATOM 0 HA LEU A 27 -3.366 -3.856 12.770 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -4.456 -1.759 10.926 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -5.448 -2.135 12.321 1.00 10.00 H new ATOM 0 HG LEU A 27 -3.553 -1.706 13.809 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -1.520 -0.537 13.058 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -1.636 -2.196 12.423 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -2.004 -0.811 11.367 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -3.476 0.806 13.433 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -4.119 0.549 11.794 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -5.117 0.154 13.214 1.00 10.00 H new ATOM 432 N LYS A 28 -5.432 -5.336 10.842 1.00 10.00 N ATOM 433 CA LYS A 28 -6.460 -6.389 10.779 1.00 10.00 C ATOM 434 C LYS A 28 -5.873 -7.807 10.887 1.00 10.00 C ATOM 435 O LYS A 28 -6.643 -8.764 10.950 1.00 10.00 O ATOM 436 CB LYS A 28 -7.348 -6.180 9.537 1.00 10.00 C ATOM 437 CG LYS A 28 -8.184 -4.891 9.685 1.00 10.00 C ATOM 438 CD LYS A 28 -8.812 -4.414 8.368 1.00 10.00 C ATOM 439 CE LYS A 28 -9.231 -2.948 8.539 1.00 10.00 C ATOM 440 NZ LYS A 28 -9.718 -2.345 7.278 1.00 10.00 N ATOM 0 H LYS A 28 -4.947 -5.202 9.955 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.098 -6.299 11.658 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -6.726 -6.117 8.644 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -8.009 -7.037 9.406 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -8.975 -5.062 10.415 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -7.549 -4.099 10.083 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -8.099 -4.512 7.549 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -9.675 -5.029 8.114 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -10.014 -2.883 9.295 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -8.383 -2.372 8.909 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -9.481 -1.333 7.263 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -9.266 -2.819 6.470 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -10.750 -2.460 7.214 1.00 10.00 H new ATOM 454 N ARG A 29 -4.540 -7.947 10.993 1.00 10.00 N ATOM 455 CA ARG A 29 -3.853 -9.206 11.349 1.00 10.00 C ATOM 456 C ARG A 29 -3.023 -9.132 12.643 1.00 10.00 C ATOM 457 O ARG A 29 -2.683 -10.182 13.180 1.00 10.00 O ATOM 458 CB ARG A 29 -2.982 -9.701 10.178 1.00 10.00 C ATOM 459 CG ARG A 29 -3.778 -10.533 9.160 1.00 10.00 C ATOM 460 CD ARG A 29 -2.872 -11.448 8.320 1.00 10.00 C ATOM 461 NE ARG A 29 -2.278 -12.548 9.118 1.00 10.00 N ATOM 462 CZ ARG A 29 -1.795 -13.689 8.634 1.00 10.00 C ATOM 463 NH1 ARG A 29 -1.814 -13.967 7.361 1.00 10.00 N ATOM 464 NH2 ARG A 29 -1.251 -14.593 9.405 1.00 10.00 N ATOM 0 H ARG A 29 -3.895 -7.174 10.831 1.00 10.00 H new ATOM 0 HA ARG A 29 -4.648 -9.925 11.548 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -2.538 -8.843 9.673 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -2.161 -10.301 10.569 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -4.515 -11.139 9.686 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -4.329 -9.864 8.499 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -3.450 -11.871 7.498 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -2.074 -10.854 7.875 1.00 10.00 H new ATOM 0 HE ARG A 29 -2.236 -12.418 10.129 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -2.209 -13.299 6.699 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -1.434 -14.853 7.027 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -1.187 -14.434 10.411 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -0.890 -15.457 9.001 1.00 10.00 H new ATOM 478 N VAL A 30 -2.716 -7.935 13.152 1.00 10.00 N ATOM 479 CA VAL A 30 -1.837 -7.685 14.307 1.00 10.00 C ATOM 480 C VAL A 30 -2.378 -6.479 15.087 1.00 10.00 C ATOM 481 O VAL A 30 -2.852 -5.517 14.484 1.00 10.00 O ATOM 482 CB VAL A 30 -0.404 -7.378 13.820 1.00 10.00 C ATOM 483 CG1 VAL A 30 0.580 -7.315 14.990 1.00 10.00 C ATOM 484 CG2 VAL A 30 0.149 -8.405 12.824 1.00 10.00 C ATOM 0 H VAL A 30 -3.088 -7.072 12.755 1.00 10.00 H new ATOM 0 HA VAL A 30 -1.814 -8.567 14.947 1.00 10.00 H new ATOM 0 HB VAL A 30 -0.492 -6.414 13.318 1.00 10.00 H new ATOM 0 HG11 VAL A 30 1.579 -7.097 14.614 1.00 10.00 H new ATOM 0 HG12 VAL A 30 0.274 -6.530 15.681 1.00 10.00 H new ATOM 0 HG13 VAL A 30 0.589 -8.273 15.510 1.00 10.00 H new ATOM 0 HG21 VAL A 30 1.159 -8.119 12.530 1.00 10.00 H new ATOM 0 HG22 VAL A 30 0.172 -9.389 13.292 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -0.490 -8.437 11.942 1.00 10.00 H new ATOM 494 N SER A 31 -2.333 -6.507 16.423 1.00 10.00 N ATOM 495 CA SER A 31 -2.986 -5.475 17.237 1.00 10.00 C ATOM 496 C SER A 31 -2.233 -4.138 17.269 1.00 10.00 C ATOM 497 O SER A 31 -1.047 -4.076 17.574 1.00 10.00 O ATOM 498 CB SER A 31 -3.153 -5.989 18.670 1.00 10.00 C ATOM 499 OG SER A 31 -3.781 -5.006 19.475 1.00 10.00 O ATOM 0 H SER A 31 -1.854 -7.229 16.962 1.00 10.00 H new ATOM 0 HA SER A 31 -3.950 -5.279 16.768 1.00 10.00 H new ATOM 0 HB2 SER A 31 -3.748 -6.902 18.669 1.00 10.00 H new ATOM 0 HB3 SER A 31 -2.179 -6.243 19.088 1.00 10.00 H new ATOM 0 HG SER A 31 -3.883 -5.347 20.388 1.00 10.00 H new ATOM 505 N ALA A 32 -2.952 -3.025 17.119 1.00 10.00 N ATOM 506 CA ALA A 32 -2.442 -1.678 17.385 1.00 10.00 C ATOM 507 C ALA A 32 -1.769 -1.539 18.774 1.00 10.00 C ATOM 508 O ALA A 32 -0.943 -0.650 18.952 1.00 10.00 O ATOM 509 CB ALA A 32 -3.587 -0.676 17.206 1.00 10.00 C ATOM 0 H ALA A 32 -3.922 -3.034 16.804 1.00 10.00 H new ATOM 0 HA ALA A 32 -1.649 -1.467 16.668 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -3.222 0.332 17.401 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -3.965 -0.734 16.185 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -4.390 -0.912 17.904 1.00 10.00 H new ATOM 515 N LYS A 33 -2.123 -2.386 19.761 1.00 10.00 N ATOM 516 CA LYS A 33 -1.457 -2.445 21.074 1.00 10.00 C ATOM 517 C LYS A 33 -0.079 -3.144 21.066 1.00 10.00 C ATOM 518 O LYS A 33 0.714 -2.889 21.967 1.00 10.00 O ATOM 519 CB LYS A 33 -2.416 -3.099 22.088 1.00 10.00 C ATOM 520 CG LYS A 33 -1.906 -2.995 23.535 1.00 10.00 C ATOM 521 CD LYS A 33 -2.933 -3.493 24.555 1.00 10.00 C ATOM 522 CE LYS A 33 -2.308 -3.405 25.951 1.00 10.00 C ATOM 523 NZ LYS A 33 -3.230 -3.900 26.998 1.00 10.00 N ATOM 0 H LYS A 33 -2.887 -3.055 19.666 1.00 10.00 H new ATOM 0 HA LYS A 33 -1.233 -1.419 21.366 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -3.394 -2.624 22.016 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -2.552 -4.149 21.829 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -0.988 -3.574 23.636 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -1.654 -1.957 23.755 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -3.839 -2.890 24.506 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -3.222 -4.520 24.332 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -1.386 -3.986 25.974 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -2.038 -2.371 26.164 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -2.771 -3.824 27.928 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -4.099 -3.329 26.993 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -3.468 -4.895 26.809 1.00 10.00 H new ATOM 537 N GLU A 34 0.224 -3.996 20.079 1.00 10.00 N ATOM 538 CA GLU A 34 1.515 -4.708 19.962 1.00 10.00 C ATOM 539 C GLU A 34 2.364 -4.205 18.781 1.00 10.00 C ATOM 540 O GLU A 34 3.568 -4.451 18.746 1.00 10.00 O ATOM 541 CB GLU A 34 1.293 -6.231 19.909 1.00 10.00 C ATOM 542 CG GLU A 34 0.737 -6.696 18.557 1.00 10.00 C ATOM 543 CD GLU A 34 0.228 -8.132 18.552 1.00 10.00 C ATOM 544 OE1 GLU A 34 0.951 -8.999 19.098 1.00 10.00 O ATOM 545 OE2 GLU A 34 -0.876 -8.332 17.989 1.00 10.00 O ATOM 0 H GLU A 34 -0.426 -4.218 19.325 1.00 10.00 H new ATOM 0 HA GLU A 34 2.093 -4.484 20.859 1.00 10.00 H new ATOM 0 HB2 GLU A 34 2.237 -6.740 20.105 1.00 10.00 H new ATOM 0 HB3 GLU A 34 0.604 -6.522 20.702 1.00 10.00 H new ATOM 0 HG2 GLU A 34 -0.077 -6.033 18.264 1.00 10.00 H new ATOM 0 HG3 GLU A 34 1.517 -6.596 17.802 1.00 10.00 H new ATOM 552 N ILE A 35 1.747 -3.488 17.834 1.00 10.00 N ATOM 553 CA ILE A 35 2.425 -2.712 16.796 1.00 10.00 C ATOM 554 C ILE A 35 3.066 -1.501 17.486 1.00 10.00 C ATOM 555 O ILE A 35 2.361 -0.630 17.993 1.00 10.00 O ATOM 556 CB ILE A 35 1.401 -2.252 15.725 1.00 10.00 C ATOM 557 CG1 ILE A 35 0.760 -3.422 14.947 1.00 10.00 C ATOM 558 CG2 ILE A 35 2.007 -1.252 14.724 1.00 10.00 C ATOM 559 CD1 ILE A 35 1.698 -4.120 13.968 1.00 10.00 C ATOM 0 H ILE A 35 0.731 -3.432 17.770 1.00 10.00 H new ATOM 0 HA ILE A 35 3.184 -3.309 16.291 1.00 10.00 H new ATOM 0 HB ILE A 35 0.616 -1.755 16.295 1.00 10.00 H new ATOM 0 HG12 ILE A 35 0.389 -4.157 15.662 1.00 10.00 H new ATOM 0 HG13 ILE A 35 -0.104 -3.047 14.398 1.00 10.00 H new ATOM 0 HG21 ILE A 35 1.250 -0.962 13.996 1.00 10.00 H new ATOM 0 HG22 ILE A 35 2.355 -0.368 15.258 1.00 10.00 H new ATOM 0 HG23 ILE A 35 2.847 -1.717 14.208 1.00 10.00 H new ATOM 0 HD11 ILE A 35 1.165 -4.928 13.466 1.00 10.00 H new ATOM 0 HD12 ILE A 35 2.050 -3.402 13.227 1.00 10.00 H new ATOM 0 HD13 ILE A 35 2.550 -4.530 14.510 1.00 10.00 H new ATOM 571 N VAL A 36 4.399 -1.441 17.507 1.00 10.00 N ATOM 572 CA VAL A 36 5.140 -0.241 17.915 1.00 10.00 C ATOM 573 C VAL A 36 4.992 0.819 16.826 1.00 10.00 C ATOM 574 O VAL A 36 4.612 1.946 17.133 1.00 10.00 O ATOM 575 CB VAL A 36 6.621 -0.581 18.187 1.00 10.00 C ATOM 576 CG1 VAL A 36 7.538 0.648 18.207 1.00 10.00 C ATOM 577 CG2 VAL A 36 6.735 -1.291 19.539 1.00 10.00 C ATOM 0 H VAL A 36 4.998 -2.223 17.242 1.00 10.00 H new ATOM 0 HA VAL A 36 4.731 0.151 18.846 1.00 10.00 H new ATOM 0 HB VAL A 36 6.949 -1.218 17.365 1.00 10.00 H new ATOM 0 HG11 VAL A 36 8.563 0.334 18.403 1.00 10.00 H new ATOM 0 HG12 VAL A 36 7.492 1.152 17.242 1.00 10.00 H new ATOM 0 HG13 VAL A 36 7.212 1.333 18.990 1.00 10.00 H new ATOM 0 HG21 VAL A 36 7.779 -1.533 19.736 1.00 10.00 H new ATOM 0 HG22 VAL A 36 6.360 -0.637 20.326 1.00 10.00 H new ATOM 0 HG23 VAL A 36 6.147 -2.209 19.519 1.00 10.00 H new ATOM 587 N ASP A 37 5.246 0.446 15.564 1.00 10.00 N ATOM 588 CA ASP A 37 4.968 1.288 14.398 1.00 10.00 C ATOM 589 C ASP A 37 5.005 0.488 13.079 1.00 10.00 C ATOM 590 O ASP A 37 5.336 -0.703 13.058 1.00 10.00 O ATOM 591 CB ASP A 37 5.962 2.477 14.341 1.00 10.00 C ATOM 592 CG ASP A 37 5.286 3.775 13.876 1.00 10.00 C ATOM 593 OD1 ASP A 37 4.327 3.667 13.077 1.00 10.00 O ATOM 594 OD2 ASP A 37 5.719 4.853 14.339 1.00 10.00 O ATOM 0 H ASP A 37 5.654 -0.458 15.324 1.00 10.00 H new ATOM 0 HA ASP A 37 3.955 1.675 14.511 1.00 10.00 H new ATOM 0 HB2 ASP A 37 6.400 2.630 15.327 1.00 10.00 H new ATOM 0 HB3 ASP A 37 6.780 2.232 13.664 1.00 10.00 H new ATOM 599 N ILE A 38 4.701 1.170 11.970 1.00 10.00 N ATOM 600 CA ILE A 38 4.893 0.687 10.601 1.00 10.00 C ATOM 601 C ILE A 38 5.523 1.794 9.753 1.00 10.00 C ATOM 602 O ILE A 38 5.138 2.958 9.838 1.00 10.00 O ATOM 603 CB ILE A 38 3.602 0.144 9.938 1.00 10.00 C ATOM 604 CG1 ILE A 38 2.467 1.155 9.641 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.058 -1.075 10.695 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.775 1.813 10.842 1.00 10.00 C ATOM 0 H ILE A 38 4.300 2.107 12.004 1.00 10.00 H new ATOM 0 HA ILE A 38 5.566 -0.169 10.658 1.00 10.00 H new ATOM 0 HB ILE A 38 3.948 -0.141 8.944 1.00 10.00 H new ATOM 0 HG12 ILE A 38 2.877 1.946 9.013 1.00 10.00 H new ATOM 0 HG13 ILE A 38 1.706 0.643 9.052 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.152 -1.433 10.206 1.00 10.00 H new ATOM 0 HG22 ILE A 38 3.807 -1.867 10.696 1.00 10.00 H new ATOM 0 HG23 ILE A 38 2.828 -0.792 11.722 1.00 10.00 H new ATOM 0 HD11 ILE A 38 1.003 2.496 10.488 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.320 1.044 11.466 1.00 10.00 H new ATOM 0 HD13 ILE A 38 2.509 2.367 11.426 1.00 10.00 H new ATOM 618 N ASP A 39 6.457 1.409 8.887 1.00 10.00 N ATOM 619 CA ASP A 39 7.203 2.322 8.025 1.00 10.00 C ATOM 620 C ASP A 39 6.939 1.927 6.573 1.00 10.00 C ATOM 621 O ASP A 39 7.342 0.856 6.126 1.00 10.00 O ATOM 622 CB ASP A 39 8.695 2.305 8.388 1.00 10.00 C ATOM 623 CG ASP A 39 8.992 3.171 9.613 1.00 10.00 C ATOM 624 OD1 ASP A 39 9.140 4.396 9.408 1.00 10.00 O ATOM 625 OD2 ASP A 39 9.095 2.600 10.721 1.00 10.00 O ATOM 0 H ASP A 39 6.722 0.432 8.762 1.00 10.00 H new ATOM 0 HA ASP A 39 6.872 3.351 8.167 1.00 10.00 H new ATOM 0 HB2 ASP A 39 9.010 1.280 8.583 1.00 10.00 H new ATOM 0 HB3 ASP A 39 9.279 2.662 7.540 1.00 10.00 H new ATOM 630 N ILE A 40 6.203 2.769 5.842 1.00 10.00 N ATOM 631 CA ILE A 40 5.708 2.461 4.497 1.00 10.00 C ATOM 632 C ILE A 40 6.097 3.595 3.556 1.00 10.00 C ATOM 633 O ILE A 40 5.709 4.747 3.744 1.00 10.00 O ATOM 634 CB ILE A 40 4.186 2.183 4.526 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.925 0.801 5.162 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.572 2.185 3.111 1.00 10.00 C ATOM 637 CD1 ILE A 40 2.535 0.634 5.765 1.00 10.00 C ATOM 0 H ILE A 40 5.931 3.695 6.172 1.00 10.00 H new ATOM 0 HA ILE A 40 6.169 1.548 4.121 1.00 10.00 H new ATOM 0 HB ILE A 40 3.722 2.978 5.109 1.00 10.00 H new ATOM 0 HG12 ILE A 40 4.073 0.032 4.403 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.668 0.627 5.940 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.502 1.986 3.178 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.731 3.158 2.647 1.00 10.00 H new ATOM 0 HG23 ILE A 40 4.048 1.412 2.507 1.00 10.00 H new ATOM 0 HD11 ILE A 40 2.440 -0.366 6.189 1.00 10.00 H new ATOM 0 HD12 ILE A 40 2.387 1.376 6.549 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.783 0.772 4.989 1.00 10.00 H new ATOM 649 N THR A 41 6.835 3.221 2.512 1.00 10.00 N ATOM 650 CA THR A 41 7.315 4.099 1.455 1.00 10.00 C ATOM 651 C THR A 41 6.653 3.653 0.158 1.00 10.00 C ATOM 652 O THR A 41 6.849 2.533 -0.316 1.00 10.00 O ATOM 653 CB THR A 41 8.846 4.025 1.357 1.00 10.00 C ATOM 654 OG1 THR A 41 9.414 4.540 2.540 1.00 10.00 O ATOM 655 CG2 THR A 41 9.408 4.855 0.202 1.00 10.00 C ATOM 0 H THR A 41 7.126 2.253 2.377 1.00 10.00 H new ATOM 0 HA THR A 41 7.059 5.138 1.663 1.00 10.00 H new ATOM 0 HB THR A 41 9.094 2.976 1.195 1.00 10.00 H new ATOM 0 HG1 THR A 41 10.391 4.493 2.481 1.00 10.00 H new ATOM 0 HG21 THR A 41 10.494 4.764 0.183 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.997 4.493 -0.740 1.00 10.00 H new ATOM 0 HG23 THR A 41 9.134 5.901 0.339 1.00 10.00 H new ATOM 663 N VAL A 42 5.866 4.561 -0.413 1.00 10.00 N ATOM 664 CA VAL A 42 5.158 4.390 -1.673 1.00 10.00 C ATOM 665 C VAL A 42 5.730 5.403 -2.661 1.00 10.00 C ATOM 666 O VAL A 42 5.664 6.610 -2.430 1.00 10.00 O ATOM 667 CB VAL A 42 3.639 4.554 -1.457 1.00 10.00 C ATOM 668 CG1 VAL A 42 3.031 3.227 -0.982 1.00 10.00 C ATOM 669 CG2 VAL A 42 3.249 5.646 -0.443 1.00 10.00 C ATOM 0 H VAL A 42 5.699 5.474 0.010 1.00 10.00 H new ATOM 0 HA VAL A 42 5.297 3.388 -2.078 1.00 10.00 H new ATOM 0 HB VAL A 42 3.246 4.861 -2.426 1.00 10.00 H new ATOM 0 HG11 VAL A 42 1.959 3.351 -0.832 1.00 10.00 H new ATOM 0 HG12 VAL A 42 3.205 2.457 -1.734 1.00 10.00 H new ATOM 0 HG13 VAL A 42 3.497 2.929 -0.043 1.00 10.00 H new ATOM 0 HG21 VAL A 42 2.163 5.690 -0.355 1.00 10.00 H new ATOM 0 HG22 VAL A 42 3.682 5.411 0.529 1.00 10.00 H new ATOM 0 HG23 VAL A 42 3.625 6.610 -0.784 1.00 10.00 H new ATOM 679 N LEU A 43 6.324 4.903 -3.745 1.00 10.00 N ATOM 680 CA LEU A 43 6.987 5.704 -4.778 1.00 10.00 C ATOM 681 C LEU A 43 6.277 5.504 -6.114 1.00 10.00 C ATOM 682 O LEU A 43 5.876 4.389 -6.429 1.00 10.00 O ATOM 683 CB LEU A 43 8.488 5.348 -4.842 1.00 10.00 C ATOM 684 CG LEU A 43 9.406 6.541 -4.517 1.00 10.00 C ATOM 685 CD1 LEU A 43 9.283 6.989 -3.056 1.00 10.00 C ATOM 686 CD2 LEU A 43 10.865 6.161 -4.779 1.00 10.00 C ATOM 0 H LEU A 43 6.359 3.902 -3.935 1.00 10.00 H new ATOM 0 HA LEU A 43 6.923 6.764 -4.531 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.693 4.538 -4.142 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.725 4.976 -5.839 1.00 10.00 H new ATOM 0 HG LEU A 43 9.094 7.364 -5.160 1.00 10.00 H new ATOM 0 HD11 LEU A 43 9.950 7.832 -2.877 1.00 10.00 H new ATOM 0 HD12 LEU A 43 8.255 7.289 -2.853 1.00 10.00 H new ATOM 0 HD13 LEU A 43 9.557 6.164 -2.398 1.00 10.00 H new ATOM 0 HD21 LEU A 43 11.509 7.009 -4.547 1.00 10.00 H new ATOM 0 HD22 LEU A 43 11.139 5.314 -4.150 1.00 10.00 H new ATOM 0 HD23 LEU A 43 10.987 5.888 -5.827 1.00 10.00 H new ATOM 698 N VAL A 44 6.090 6.569 -6.895 1.00 10.00 N ATOM 699 CA VAL A 44 5.392 6.503 -8.184 1.00 10.00 C ATOM 700 C VAL A 44 6.087 7.379 -9.228 1.00 10.00 C ATOM 701 O VAL A 44 6.542 8.477 -8.912 1.00 10.00 O ATOM 702 CB VAL A 44 3.904 6.845 -7.972 1.00 10.00 C ATOM 703 CG1 VAL A 44 3.671 8.297 -7.532 1.00 10.00 C ATOM 704 CG2 VAL A 44 3.074 6.519 -9.217 1.00 10.00 C ATOM 0 H VAL A 44 6.418 7.504 -6.653 1.00 10.00 H new ATOM 0 HA VAL A 44 5.435 5.491 -8.586 1.00 10.00 H new ATOM 0 HB VAL A 44 3.568 6.212 -7.150 1.00 10.00 H new ATOM 0 HG11 VAL A 44 2.603 8.470 -7.401 1.00 10.00 H new ATOM 0 HG12 VAL A 44 4.187 8.479 -6.589 1.00 10.00 H new ATOM 0 HG13 VAL A 44 4.058 8.974 -8.293 1.00 10.00 H new ATOM 0 HG21 VAL A 44 2.030 6.772 -9.034 1.00 10.00 H new ATOM 0 HG22 VAL A 44 3.445 7.097 -10.063 1.00 10.00 H new ATOM 0 HG23 VAL A 44 3.156 5.455 -9.441 1.00 10.00 H new ATOM 714 N GLU A 45 6.163 6.898 -10.472 1.00 10.00 N ATOM 715 CA GLU A 45 6.780 7.612 -11.590 1.00 10.00 C ATOM 716 C GLU A 45 6.138 7.242 -12.936 1.00 10.00 C ATOM 717 O GLU A 45 5.521 6.184 -13.090 1.00 10.00 O ATOM 718 CB GLU A 45 8.304 7.371 -11.632 1.00 10.00 C ATOM 719 CG GLU A 45 8.701 5.927 -11.965 1.00 10.00 C ATOM 720 CD GLU A 45 10.204 5.804 -12.225 1.00 10.00 C ATOM 721 OE1 GLU A 45 10.600 6.040 -13.393 1.00 10.00 O ATOM 722 OE2 GLU A 45 10.936 5.472 -11.268 1.00 10.00 O ATOM 0 H GLU A 45 5.790 5.985 -10.734 1.00 10.00 H new ATOM 0 HA GLU A 45 6.603 8.674 -11.423 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.746 8.038 -12.372 1.00 10.00 H new ATOM 0 HB3 GLU A 45 8.730 7.640 -10.666 1.00 10.00 H new ATOM 0 HG2 GLU A 45 8.418 5.272 -11.141 1.00 10.00 H new ATOM 0 HG3 GLU A 45 8.150 5.590 -12.843 1.00 10.00 H new ATOM 729 N TYR A 46 6.331 8.114 -13.929 1.00 10.00 N ATOM 730 CA TYR A 46 5.988 7.837 -15.318 1.00 10.00 C ATOM 731 C TYR A 46 7.182 8.216 -16.197 1.00 10.00 C ATOM 732 O TYR A 46 7.464 9.396 -16.408 1.00 10.00 O ATOM 733 CB TYR A 46 4.693 8.560 -15.709 1.00 10.00 C ATOM 734 CG TYR A 46 4.031 7.955 -16.932 1.00 10.00 C ATOM 735 CD1 TYR A 46 4.585 8.141 -18.215 1.00 10.00 C ATOM 736 CD2 TYR A 46 2.878 7.163 -16.774 1.00 10.00 C ATOM 737 CE1 TYR A 46 3.997 7.521 -19.333 1.00 10.00 C ATOM 738 CE2 TYR A 46 2.276 6.554 -17.890 1.00 10.00 C ATOM 739 CZ TYR A 46 2.843 6.725 -19.174 1.00 10.00 C ATOM 740 OH TYR A 46 2.276 6.132 -20.258 1.00 10.00 O ATOM 0 H TYR A 46 6.734 9.040 -13.785 1.00 10.00 H new ATOM 0 HA TYR A 46 5.788 6.775 -15.463 1.00 10.00 H new ATOM 0 HB2 TYR A 46 3.997 8.528 -14.871 1.00 10.00 H new ATOM 0 HB3 TYR A 46 4.912 9.610 -15.902 1.00 10.00 H new ATOM 0 HD1 TYR A 46 5.461 8.760 -18.340 1.00 10.00 H new ATOM 0 HD2 TYR A 46 2.453 7.022 -15.791 1.00 10.00 H new ATOM 0 HE1 TYR A 46 4.429 7.655 -20.314 1.00 10.00 H new ATOM 0 HE2 TYR A 46 1.384 5.958 -17.767 1.00 10.00 H new ATOM 0 HH TYR A 46 1.490 5.619 -19.976 1.00 10.00 H new ATOM 750 N THR A 47 7.900 7.205 -16.683 1.00 10.00 N ATOM 751 CA THR A 47 9.160 7.337 -17.422 1.00 10.00 C ATOM 752 C THR A 47 9.035 6.481 -18.681 1.00 10.00 C ATOM 753 O THR A 47 9.467 5.334 -18.734 1.00 10.00 O ATOM 754 CB THR A 47 10.363 6.955 -16.527 1.00 10.00 C ATOM 755 OG1 THR A 47 10.087 5.809 -15.743 1.00 10.00 O ATOM 756 CG2 THR A 47 10.721 8.117 -15.598 1.00 10.00 C ATOM 0 H THR A 47 7.611 6.233 -16.570 1.00 10.00 H new ATOM 0 HA THR A 47 9.348 8.369 -17.719 1.00 10.00 H new ATOM 0 HB THR A 47 11.201 6.732 -17.188 1.00 10.00 H new ATOM 0 HG1 THR A 47 9.918 6.079 -14.816 1.00 10.00 H new ATOM 0 HG21 THR A 47 11.569 7.836 -14.973 1.00 10.00 H new ATOM 0 HG22 THR A 47 10.983 8.991 -16.194 1.00 10.00 H new ATOM 0 HG23 THR A 47 9.866 8.353 -14.964 1.00 10.00 H new ATOM 764 N ASP A 48 8.358 7.053 -19.689 1.00 10.00 N ATOM 765 CA ASP A 48 7.849 6.398 -20.913 1.00 10.00 C ATOM 766 C ASP A 48 6.787 5.301 -20.645 1.00 10.00 C ATOM 767 O ASP A 48 5.877 5.106 -21.445 1.00 10.00 O ATOM 768 CB ASP A 48 9.015 5.916 -21.797 1.00 10.00 C ATOM 769 CG ASP A 48 8.629 5.820 -23.276 1.00 10.00 C ATOM 770 OD1 ASP A 48 8.190 6.861 -23.816 1.00 10.00 O ATOM 771 OD2 ASP A 48 8.825 4.731 -23.860 1.00 10.00 O ATOM 0 H ASP A 48 8.135 8.048 -19.674 1.00 10.00 H new ATOM 0 HA ASP A 48 7.303 7.156 -21.474 1.00 10.00 H new ATOM 0 HB2 ASP A 48 9.856 6.600 -21.688 1.00 10.00 H new ATOM 0 HB3 ASP A 48 9.351 4.940 -21.448 1.00 10.00 H new ATOM 776 N GLU A 49 6.834 4.675 -19.465 1.00 10.00 N ATOM 777 CA GLU A 49 5.882 3.722 -18.901 1.00 10.00 C ATOM 778 C GLU A 49 5.601 4.083 -17.424 1.00 10.00 C ATOM 779 O GLU A 49 6.381 4.794 -16.785 1.00 10.00 O ATOM 780 CB GLU A 49 6.454 2.300 -19.076 1.00 10.00 C ATOM 781 CG GLU A 49 5.479 1.185 -18.673 1.00 10.00 C ATOM 782 CD GLU A 49 5.989 -0.195 -19.106 1.00 10.00 C ATOM 783 OE1 GLU A 49 6.938 -0.692 -18.458 1.00 10.00 O ATOM 784 OE2 GLU A 49 5.417 -0.740 -20.076 1.00 10.00 O ATOM 0 H GLU A 49 7.611 4.840 -18.825 1.00 10.00 H new ATOM 0 HA GLU A 49 4.924 3.763 -19.420 1.00 10.00 H new ATOM 0 HB2 GLU A 49 6.741 2.160 -20.118 1.00 10.00 H new ATOM 0 HB3 GLU A 49 7.362 2.208 -18.480 1.00 10.00 H new ATOM 0 HG2 GLU A 49 5.337 1.198 -17.592 1.00 10.00 H new ATOM 0 HG3 GLU A 49 4.505 1.372 -19.125 1.00 10.00 H new ATOM 791 N LEU A 50 4.480 3.600 -16.873 1.00 10.00 N ATOM 792 CA LEU A 50 4.065 3.846 -15.489 1.00 10.00 C ATOM 793 C LEU A 50 4.743 2.821 -14.571 1.00 10.00 C ATOM 794 O LEU A 50 4.621 1.615 -14.789 1.00 10.00 O ATOM 795 CB LEU A 50 2.529 3.686 -15.401 1.00 10.00 C ATOM 796 CG LEU A 50 1.930 3.631 -13.976 1.00 10.00 C ATOM 797 CD1 LEU A 50 2.160 4.911 -13.167 1.00 10.00 C ATOM 798 CD2 LEU A 50 0.422 3.383 -14.054 1.00 10.00 C ATOM 0 H LEU A 50 3.823 3.015 -17.389 1.00 10.00 H new ATOM 0 HA LEU A 50 4.352 4.851 -15.180 1.00 10.00 H new ATOM 0 HB2 LEU A 50 2.067 4.516 -15.935 1.00 10.00 H new ATOM 0 HB3 LEU A 50 2.249 2.773 -15.926 1.00 10.00 H new ATOM 0 HG LEU A 50 2.445 2.817 -13.466 1.00 10.00 H new ATOM 0 HD11 LEU A 50 1.714 4.802 -12.179 1.00 10.00 H new ATOM 0 HD12 LEU A 50 3.230 5.089 -13.064 1.00 10.00 H new ATOM 0 HD13 LEU A 50 1.700 5.754 -13.682 1.00 10.00 H new ATOM 0 HD21 LEU A 50 0.007 3.345 -13.047 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -0.051 4.191 -14.612 1.00 10.00 H new ATOM 0 HD23 LEU A 50 0.235 2.435 -14.559 1.00 10.00 H new ATOM 810 N LYS A 51 5.386 3.302 -13.500 1.00 10.00 N ATOM 811 CA LYS A 51 5.953 2.452 -12.449 1.00 10.00 C ATOM 812 C LYS A 51 5.546 2.975 -11.072 1.00 10.00 C ATOM 813 O LYS A 51 5.431 4.175 -10.830 1.00 10.00 O ATOM 814 CB LYS A 51 7.482 2.373 -12.633 1.00 10.00 C ATOM 815 CG LYS A 51 8.253 1.506 -11.617 1.00 10.00 C ATOM 816 CD LYS A 51 7.995 -0.004 -11.757 1.00 10.00 C ATOM 817 CE LYS A 51 8.934 -0.799 -10.832 1.00 10.00 C ATOM 818 NZ LYS A 51 8.307 -1.161 -9.536 1.00 10.00 N ATOM 0 H LYS A 51 5.528 4.299 -13.338 1.00 10.00 H new ATOM 0 HA LYS A 51 5.559 1.438 -12.524 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.686 1.990 -13.633 1.00 10.00 H new ATOM 0 HB3 LYS A 51 7.883 3.386 -12.592 1.00 10.00 H new ATOM 0 HG2 LYS A 51 9.321 1.694 -11.732 1.00 10.00 H new ATOM 0 HG3 LYS A 51 7.981 1.818 -10.609 1.00 10.00 H new ATOM 0 HD2 LYS A 51 6.957 -0.226 -11.509 1.00 10.00 H new ATOM 0 HD3 LYS A 51 8.148 -0.311 -12.792 1.00 10.00 H new ATOM 0 HE2 LYS A 51 9.251 -1.709 -11.342 1.00 10.00 H new ATOM 0 HE3 LYS A 51 9.831 -0.210 -10.642 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 9.049 -1.380 -8.841 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 7.735 -0.363 -9.192 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 7.697 -1.993 -9.666 1.00 10.00 H new ATOM 832 N VAL A 52 5.362 2.028 -10.158 1.00 10.00 N ATOM 833 CA VAL A 52 5.089 2.246 -8.740 1.00 10.00 C ATOM 834 C VAL A 52 5.972 1.287 -7.941 1.00 10.00 C ATOM 835 O VAL A 52 6.276 0.184 -8.402 1.00 10.00 O ATOM 836 CB VAL A 52 3.574 2.086 -8.452 1.00 10.00 C ATOM 837 CG1 VAL A 52 3.008 0.730 -8.899 1.00 10.00 C ATOM 838 CG2 VAL A 52 3.195 2.302 -6.979 1.00 10.00 C ATOM 0 H VAL A 52 5.401 1.037 -10.397 1.00 10.00 H new ATOM 0 HA VAL A 52 5.335 3.263 -8.436 1.00 10.00 H new ATOM 0 HB VAL A 52 3.125 2.879 -9.050 1.00 10.00 H new ATOM 0 HG11 VAL A 52 1.944 0.686 -8.667 1.00 10.00 H new ATOM 0 HG12 VAL A 52 3.151 0.612 -9.973 1.00 10.00 H new ATOM 0 HG13 VAL A 52 3.527 -0.072 -8.374 1.00 10.00 H new ATOM 0 HG21 VAL A 52 2.119 2.173 -6.857 1.00 10.00 H new ATOM 0 HG22 VAL A 52 3.720 1.576 -6.358 1.00 10.00 H new ATOM 0 HG23 VAL A 52 3.476 3.310 -6.675 1.00 10.00 H new ATOM 848 N ASP A 53 6.399 1.711 -6.757 1.00 10.00 N ATOM 849 CA ASP A 53 7.052 0.883 -5.754 1.00 10.00 C ATOM 850 C ASP A 53 6.249 0.973 -4.465 1.00 10.00 C ATOM 851 O ASP A 53 5.735 2.034 -4.098 1.00 10.00 O ATOM 852 CB ASP A 53 8.505 1.305 -5.491 1.00 10.00 C ATOM 853 CG ASP A 53 9.184 0.253 -4.603 1.00 10.00 C ATOM 854 OD1 ASP A 53 9.535 -0.793 -5.188 1.00 10.00 O ATOM 855 OD2 ASP A 53 9.259 0.450 -3.362 1.00 10.00 O ATOM 0 H ASP A 53 6.295 2.681 -6.459 1.00 10.00 H new ATOM 0 HA ASP A 53 7.086 -0.140 -6.127 1.00 10.00 H new ATOM 0 HB2 ASP A 53 9.043 1.405 -6.433 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.531 2.280 -5.004 1.00 10.00 H new ATOM 860 N ILE A 54 6.183 -0.164 -3.781 1.00 10.00 N ATOM 861 CA ILE A 54 5.553 -0.301 -2.486 1.00 10.00 C ATOM 862 C ILE A 54 6.569 -1.035 -1.622 1.00 10.00 C ATOM 863 O ILE A 54 6.785 -2.235 -1.794 1.00 10.00 O ATOM 864 CB ILE A 54 4.225 -1.076 -2.613 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.247 -0.376 -3.585 1.00 10.00 C ATOM 866 CG2 ILE A 54 3.608 -1.216 -1.218 1.00 10.00 C ATOM 867 CD1 ILE A 54 1.870 -1.040 -3.673 1.00 10.00 C ATOM 0 H ILE A 54 6.580 -1.037 -4.128 1.00 10.00 H new ATOM 0 HA ILE A 54 5.291 0.660 -2.043 1.00 10.00 H new ATOM 0 HB ILE A 54 4.424 -2.063 -3.030 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.119 0.660 -3.271 1.00 10.00 H new ATOM 0 HG13 ILE A 54 3.693 -0.355 -4.580 1.00 10.00 H new ATOM 0 HG21 ILE A 54 2.667 -1.762 -1.289 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.295 -1.760 -0.569 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.422 -0.226 -0.801 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.244 -0.489 -4.375 1.00 10.00 H new ATOM 0 HD12 ILE A 54 1.983 -2.068 -4.018 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.401 -1.037 -2.689 1.00 10.00 H new ATOM 879 N SER A 55 7.156 -0.310 -0.673 1.00 10.00 N ATOM 880 CA SER A 55 8.163 -0.850 0.228 1.00 10.00 C ATOM 881 C SER A 55 7.676 -0.598 1.655 1.00 10.00 C ATOM 882 O SER A 55 7.433 0.545 2.036 1.00 10.00 O ATOM 883 CB SER A 55 9.492 -0.141 -0.076 1.00 10.00 C ATOM 884 OG SER A 55 10.058 -0.595 -1.298 1.00 10.00 O ATOM 0 H SER A 55 6.943 0.674 -0.509 1.00 10.00 H new ATOM 0 HA SER A 55 8.320 -1.921 0.103 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.328 0.935 -0.128 1.00 10.00 H new ATOM 0 HB3 SER A 55 10.194 -0.317 0.739 1.00 10.00 H new ATOM 0 HG SER A 55 9.393 -0.520 -2.014 1.00 10.00 H new ATOM 890 N ALA A 56 7.520 -1.666 2.445 1.00 10.00 N ATOM 891 CA ALA A 56 6.929 -1.609 3.782 1.00 10.00 C ATOM 892 C ALA A 56 7.778 -2.345 4.826 1.00 10.00 C ATOM 893 O ALA A 56 8.434 -3.340 4.523 1.00 10.00 O ATOM 894 CB ALA A 56 5.486 -2.134 3.717 1.00 10.00 C ATOM 0 H ALA A 56 7.805 -2.605 2.168 1.00 10.00 H new ATOM 0 HA ALA A 56 6.907 -0.571 4.114 1.00 10.00 H new ATOM 0 HB1 ALA A 56 5.039 -2.094 4.710 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.905 -1.516 3.033 1.00 10.00 H new ATOM 0 HB3 ALA A 56 5.489 -3.164 3.362 1.00 10.00 H new ATOM 900 N GLU A 57 7.702 -1.867 6.067 1.00 10.00 N ATOM 901 CA GLU A 57 8.425 -2.353 7.237 1.00 10.00 C ATOM 902 C GLU A 57 7.495 -2.316 8.462 1.00 10.00 C ATOM 903 O GLU A 57 6.640 -1.435 8.593 1.00 10.00 O ATOM 904 CB GLU A 57 9.674 -1.474 7.409 1.00 10.00 C ATOM 905 CG GLU A 57 10.405 -1.579 8.748 1.00 10.00 C ATOM 906 CD GLU A 57 11.070 -2.937 9.005 1.00 10.00 C ATOM 907 OE1 GLU A 57 10.361 -3.961 8.870 1.00 10.00 O ATOM 908 OE2 GLU A 57 12.272 -2.914 9.378 1.00 10.00 O ATOM 0 H GLU A 57 7.095 -1.080 6.295 1.00 10.00 H new ATOM 0 HA GLU A 57 8.745 -3.388 7.119 1.00 10.00 H new ATOM 0 HB2 GLU A 57 10.378 -1.724 6.616 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.382 -0.434 7.261 1.00 10.00 H new ATOM 0 HG2 GLU A 57 11.167 -0.801 8.793 1.00 10.00 H new ATOM 0 HG3 GLU A 57 9.696 -1.378 9.551 1.00 10.00 H new ATOM 915 N LEU A 58 7.644 -3.319 9.332 1.00 10.00 N ATOM 916 CA LEU A 58 6.738 -3.624 10.439 1.00 10.00 C ATOM 917 C LEU A 58 7.491 -3.755 11.768 1.00 10.00 C ATOM 918 O LEU A 58 8.331 -4.644 11.906 1.00 10.00 O ATOM 919 CB LEU A 58 5.987 -4.908 10.045 1.00 10.00 C ATOM 920 CG LEU A 58 5.142 -5.574 11.140 1.00 10.00 C ATOM 921 CD1 LEU A 58 4.060 -4.648 11.689 1.00 10.00 C ATOM 922 CD2 LEU A 58 4.461 -6.824 10.568 1.00 10.00 C ATOM 0 H LEU A 58 8.431 -3.966 9.281 1.00 10.00 H new ATOM 0 HA LEU A 58 6.029 -2.813 10.605 1.00 10.00 H new ATOM 0 HB2 LEU A 58 5.333 -4.676 9.204 1.00 10.00 H new ATOM 0 HB3 LEU A 58 6.718 -5.634 9.689 1.00 10.00 H new ATOM 0 HG LEU A 58 5.819 -5.828 11.956 1.00 10.00 H new ATOM 0 HD11 LEU A 58 3.492 -5.169 12.460 1.00 10.00 H new ATOM 0 HD12 LEU A 58 4.524 -3.760 12.118 1.00 10.00 H new ATOM 0 HD13 LEU A 58 3.390 -4.353 10.882 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.860 -7.298 11.344 1.00 10.00 H new ATOM 0 HD22 LEU A 58 3.818 -6.539 9.735 1.00 10.00 H new ATOM 0 HD23 LEU A 58 5.220 -7.524 10.218 1.00 10.00 H new ATOM 934 N TYR A 59 7.134 -2.944 12.773 1.00 10.00 N ATOM 935 CA TYR A 59 7.751 -3.002 14.096 1.00 10.00 C ATOM 936 C TYR A 59 6.763 -3.453 15.176 1.00 10.00 C ATOM 937 O TYR A 59 5.868 -2.711 15.577 1.00 10.00 O ATOM 938 CB TYR A 59 8.453 -1.668 14.407 1.00 10.00 C ATOM 939 CG TYR A 59 9.646 -1.399 13.500 1.00 10.00 C ATOM 940 CD1 TYR A 59 10.680 -2.355 13.421 1.00 10.00 C ATOM 941 CD2 TYR A 59 9.707 -0.242 12.693 1.00 10.00 C ATOM 942 CE1 TYR A 59 11.737 -2.186 12.513 1.00 10.00 C ATOM 943 CE2 TYR A 59 10.798 -0.039 11.826 1.00 10.00 C ATOM 944 CZ TYR A 59 11.807 -1.023 11.722 1.00 10.00 C ATOM 945 OH TYR A 59 12.766 -0.938 10.763 1.00 10.00 O ATOM 0 H TYR A 59 6.409 -2.231 12.687 1.00 10.00 H new ATOM 0 HA TYR A 59 8.521 -3.773 14.094 1.00 10.00 H new ATOM 0 HB2 TYR A 59 7.735 -0.854 14.306 1.00 10.00 H new ATOM 0 HB3 TYR A 59 8.786 -1.672 15.445 1.00 10.00 H new ATOM 0 HD1 TYR A 59 10.658 -3.223 14.063 1.00 10.00 H new ATOM 0 HD2 TYR A 59 8.914 0.490 12.741 1.00 10.00 H new ATOM 0 HE1 TYR A 59 12.497 -2.948 12.421 1.00 10.00 H new ATOM 0 HE2 TYR A 59 10.863 0.867 11.242 1.00 10.00 H new ATOM 0 HH TYR A 59 12.907 -1.821 10.362 1.00 10.00 H new ATOM 955 N LEU A 60 6.948 -4.695 15.638 1.00 10.00 N ATOM 956 CA LEU A 60 6.313 -5.283 16.821 1.00 10.00 C ATOM 957 C LEU A 60 7.044 -4.887 18.107 1.00 10.00 C ATOM 958 O LEU A 60 8.252 -4.650 18.104 1.00 10.00 O ATOM 959 CB LEU A 60 6.301 -6.827 16.738 1.00 10.00 C ATOM 960 CG LEU A 60 5.213 -7.494 15.881 1.00 10.00 C ATOM 961 CD1 LEU A 60 3.842 -7.269 16.520 1.00 10.00 C ATOM 962 CD2 LEU A 60 5.171 -7.036 14.424 1.00 10.00 C ATOM 0 H LEU A 60 7.577 -5.350 15.173 1.00 10.00 H new ATOM 0 HA LEU A 60 5.293 -4.900 16.845 1.00 10.00 H new ATOM 0 HB2 LEU A 60 7.270 -7.149 16.357 1.00 10.00 H new ATOM 0 HB3 LEU A 60 6.212 -7.216 17.753 1.00 10.00 H new ATOM 0 HG LEU A 60 5.473 -8.552 15.855 1.00 10.00 H new ATOM 0 HD11 LEU A 60 3.074 -7.743 15.909 1.00 10.00 H new ATOM 0 HD12 LEU A 60 3.831 -7.704 17.520 1.00 10.00 H new ATOM 0 HD13 LEU A 60 3.643 -6.199 16.587 1.00 10.00 H new ATOM 0 HD21 LEU A 60 4.372 -7.561 13.900 1.00 10.00 H new ATOM 0 HD22 LEU A 60 4.985 -5.963 14.385 1.00 10.00 H new ATOM 0 HD23 LEU A 60 6.125 -7.257 13.946 1.00 10.00 H new ATOM 974 N ASP A 61 6.296 -4.847 19.212 1.00 10.00 N ATOM 975 CA ASP A 61 6.857 -4.745 20.557 1.00 10.00 C ATOM 976 C ASP A 61 7.746 -5.962 20.870 1.00 10.00 C ATOM 977 O ASP A 61 7.444 -7.084 20.459 1.00 10.00 O ATOM 978 CB ASP A 61 5.716 -4.608 21.578 1.00 10.00 C ATOM 979 CG ASP A 61 6.231 -4.455 23.013 1.00 10.00 C ATOM 980 OD1 ASP A 61 7.321 -3.858 23.175 1.00 10.00 O ATOM 981 OD2 ASP A 61 5.545 -4.965 23.925 1.00 10.00 O ATOM 0 H ASP A 61 5.277 -4.885 19.196 1.00 10.00 H new ATOM 0 HA ASP A 61 7.488 -3.858 20.618 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.104 -3.744 21.321 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.071 -5.485 21.518 1.00 10.00 H new ATOM 986 N GLU A 62 8.803 -5.757 21.665 1.00 10.00 N ATOM 987 CA GLU A 62 9.790 -6.775 22.082 1.00 10.00 C ATOM 988 C GLU A 62 9.207 -7.871 23.009 1.00 10.00 C ATOM 989 O GLU A 62 9.941 -8.599 23.677 1.00 10.00 O ATOM 990 CB GLU A 62 11.008 -6.081 22.727 1.00 10.00 C ATOM 991 CG GLU A 62 11.741 -5.138 21.761 1.00 10.00 C ATOM 992 CD GLU A 62 13.054 -4.633 22.372 1.00 10.00 C ATOM 993 OE1 GLU A 62 13.006 -3.606 23.087 1.00 10.00 O ATOM 994 OE2 GLU A 62 14.095 -5.282 22.124 1.00 10.00 O ATOM 0 H GLU A 62 9.008 -4.837 22.056 1.00 10.00 H new ATOM 0 HA GLU A 62 10.102 -7.304 21.182 1.00 10.00 H new ATOM 0 HB2 GLU A 62 10.678 -5.515 23.598 1.00 10.00 H new ATOM 0 HB3 GLU A 62 11.704 -6.839 23.085 1.00 10.00 H new ATOM 0 HG2 GLU A 62 11.948 -5.659 20.826 1.00 10.00 H new ATOM 0 HG3 GLU A 62 11.100 -4.291 21.518 1.00 10.00 H new ATOM 1001 N LEU A 63 7.877 -7.990 23.037 1.00 10.00 N ATOM 1002 CA LEU A 63 7.067 -8.892 23.848 1.00 10.00 C ATOM 1003 C LEU A 63 5.969 -9.603 23.023 1.00 10.00 C ATOM 1004 O LEU A 63 5.167 -10.340 23.596 1.00 10.00 O ATOM 1005 CB LEU A 63 6.483 -8.087 25.024 1.00 10.00 C ATOM 1006 CG LEU A 63 6.823 -8.640 26.419 1.00 10.00 C ATOM 1007 CD1 LEU A 63 6.310 -10.065 26.649 1.00 10.00 C ATOM 1008 CD2 LEU A 63 8.323 -8.581 26.729 1.00 10.00 C ATOM 0 H LEU A 63 7.292 -7.405 22.440 1.00 10.00 H new ATOM 0 HA LEU A 63 7.696 -9.695 24.232 1.00 10.00 H new ATOM 0 HB2 LEU A 63 6.844 -7.061 24.958 1.00 10.00 H new ATOM 0 HB3 LEU A 63 5.399 -8.051 24.918 1.00 10.00 H new ATOM 0 HG LEU A 63 6.298 -7.978 27.108 1.00 10.00 H new ATOM 0 HD11 LEU A 63 6.584 -10.393 27.652 1.00 10.00 H new ATOM 0 HD12 LEU A 63 5.225 -10.082 26.545 1.00 10.00 H new ATOM 0 HD13 LEU A 63 6.755 -10.735 25.914 1.00 10.00 H new ATOM 0 HD21 LEU A 63 8.505 -8.984 27.725 1.00 10.00 H new ATOM 0 HD22 LEU A 63 8.870 -9.171 25.994 1.00 10.00 H new ATOM 0 HD23 LEU A 63 8.662 -7.546 26.689 1.00 10.00 H new ATOM 1020 N SER A 64 5.942 -9.417 21.693 1.00 10.00 N ATOM 1021 CA SER A 64 5.062 -10.151 20.770 1.00 10.00 C ATOM 1022 C SER A 64 5.827 -10.699 19.552 1.00 10.00 C ATOM 1023 O SER A 64 6.991 -10.370 19.328 1.00 10.00 O ATOM 1024 CB SER A 64 3.864 -9.287 20.347 1.00 10.00 C ATOM 1025 OG SER A 64 2.916 -10.134 19.715 1.00 10.00 O ATOM 0 H SER A 64 6.542 -8.740 21.221 1.00 10.00 H new ATOM 0 HA SER A 64 4.675 -11.016 21.309 1.00 10.00 H new ATOM 0 HB2 SER A 64 3.420 -8.799 21.215 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.184 -8.498 19.666 1.00 10.00 H new ATOM 0 HG SER A 64 2.392 -9.615 19.069 1.00 10.00 H new ATOM 1031 N ASP A 65 5.163 -11.566 18.782 1.00 10.00 N ATOM 1032 CA ASP A 65 5.718 -12.333 17.667 1.00 10.00 C ATOM 1033 C ASP A 65 4.589 -12.668 16.675 1.00 10.00 C ATOM 1034 O ASP A 65 3.823 -13.611 16.869 1.00 10.00 O ATOM 1035 CB ASP A 65 6.415 -13.596 18.215 1.00 10.00 C ATOM 1036 CG ASP A 65 7.187 -14.374 17.145 1.00 10.00 C ATOM 1037 OD1 ASP A 65 7.732 -13.715 16.232 1.00 10.00 O ATOM 1038 OD2 ASP A 65 7.269 -15.616 17.285 1.00 10.00 O ATOM 0 H ASP A 65 4.173 -11.761 18.929 1.00 10.00 H new ATOM 0 HA ASP A 65 6.468 -11.752 17.130 1.00 10.00 H new ATOM 0 HB2 ASP A 65 7.102 -13.307 19.011 1.00 10.00 H new ATOM 0 HB3 ASP A 65 5.667 -14.251 18.662 1.00 10.00 H new ATOM 1043 N ALA A 66 4.442 -11.826 15.647 1.00 10.00 N ATOM 1044 CA ALA A 66 3.450 -11.972 14.580 1.00 10.00 C ATOM 1045 C ALA A 66 3.882 -12.997 13.505 1.00 10.00 C ATOM 1046 O ALA A 66 4.956 -13.591 13.591 1.00 10.00 O ATOM 1047 CB ALA A 66 3.200 -10.580 13.985 1.00 10.00 C ATOM 0 H ALA A 66 5.028 -10.999 15.532 1.00 10.00 H new ATOM 0 HA ALA A 66 2.524 -12.373 14.993 1.00 10.00 H new ATOM 0 HB1 ALA A 66 2.464 -10.653 13.185 1.00 10.00 H new ATOM 0 HB2 ALA A 66 2.826 -9.914 14.762 1.00 10.00 H new ATOM 0 HB3 ALA A 66 4.133 -10.183 13.584 1.00 10.00 H new ATOM 1053 N ASP A 67 3.085 -13.177 12.441 1.00 10.00 N ATOM 1054 CA ASP A 67 3.357 -14.238 11.464 1.00 10.00 C ATOM 1055 C ASP A 67 4.366 -13.748 10.398 1.00 10.00 C ATOM 1056 O ASP A 67 4.216 -12.637 9.868 1.00 10.00 O ATOM 1057 CB ASP A 67 2.067 -14.681 10.760 1.00 10.00 C ATOM 1058 CG ASP A 67 0.968 -15.137 11.719 1.00 10.00 C ATOM 1059 OD1 ASP A 67 1.146 -16.210 12.330 1.00 10.00 O ATOM 1060 OD2 ASP A 67 -0.076 -14.439 11.760 1.00 10.00 O ATOM 0 H ASP A 67 2.261 -12.611 12.238 1.00 10.00 H new ATOM 0 HA ASP A 67 3.778 -15.084 12.007 1.00 10.00 H new ATOM 0 HB2 ASP A 67 1.691 -13.855 10.157 1.00 10.00 H new ATOM 0 HB3 ASP A 67 2.299 -15.496 10.074 1.00 10.00 H new ATOM 1065 N PRO A 68 5.391 -14.565 10.058 1.00 10.00 N ATOM 1066 CA PRO A 68 6.545 -14.184 9.234 1.00 10.00 C ATOM 1067 C PRO A 68 6.206 -14.058 7.735 1.00 10.00 C ATOM 1068 O PRO A 68 6.714 -14.793 6.891 1.00 10.00 O ATOM 1069 CB PRO A 68 7.622 -15.234 9.544 1.00 10.00 C ATOM 1070 CG PRO A 68 6.799 -16.487 9.824 1.00 10.00 C ATOM 1071 CD PRO A 68 5.593 -15.918 10.568 1.00 10.00 C ATOM 0 HA PRO A 68 6.899 -13.182 9.477 1.00 10.00 H new ATOM 0 HB2 PRO A 68 8.302 -15.376 8.704 1.00 10.00 H new ATOM 0 HB3 PRO A 68 8.230 -14.949 10.403 1.00 10.00 H new ATOM 0 HG2 PRO A 68 6.508 -16.997 8.906 1.00 10.00 H new ATOM 0 HG3 PRO A 68 7.348 -17.208 10.429 1.00 10.00 H new ATOM 0 HD2 PRO A 68 4.708 -16.532 10.399 1.00 10.00 H new ATOM 0 HD3 PRO A 68 5.772 -15.905 11.643 1.00 10.00 H new ATOM 1079 N GLY A 69 5.326 -13.108 7.415 1.00 10.00 N ATOM 1080 CA GLY A 69 4.858 -12.828 6.057 1.00 10.00 C ATOM 1081 C GLY A 69 3.808 -11.716 5.934 1.00 10.00 C ATOM 1082 O GLY A 69 3.526 -11.296 4.816 1.00 10.00 O ATOM 0 H GLY A 69 4.907 -12.494 8.114 1.00 10.00 H new ATOM 0 HA2 GLY A 69 5.718 -12.560 5.443 1.00 10.00 H new ATOM 0 HA3 GLY A 69 4.441 -13.744 5.639 1.00 10.00 H new ATOM 1086 N ILE A 70 3.255 -11.189 7.038 1.00 10.00 N ATOM 1087 CA ILE A 70 2.181 -10.191 7.034 1.00 10.00 C ATOM 1088 C ILE A 70 2.521 -8.919 6.235 1.00 10.00 C ATOM 1089 O ILE A 70 1.627 -8.325 5.642 1.00 10.00 O ATOM 1090 CB ILE A 70 1.803 -9.910 8.507 1.00 10.00 C ATOM 1091 CG1 ILE A 70 1.066 -11.148 9.064 1.00 10.00 C ATOM 1092 CG2 ILE A 70 0.943 -8.651 8.660 1.00 10.00 C ATOM 1093 CD1 ILE A 70 0.809 -11.094 10.571 1.00 10.00 C ATOM 0 H ILE A 70 3.551 -11.453 7.978 1.00 10.00 H new ATOM 0 HA ILE A 70 1.317 -10.589 6.502 1.00 10.00 H new ATOM 0 HB ILE A 70 2.716 -9.724 9.073 1.00 10.00 H new ATOM 0 HG12 ILE A 70 0.112 -11.253 8.547 1.00 10.00 H new ATOM 0 HG13 ILE A 70 1.652 -12.039 8.837 1.00 10.00 H new ATOM 0 HG21 ILE A 70 0.705 -8.499 9.713 1.00 10.00 H new ATOM 0 HG22 ILE A 70 1.492 -7.788 8.283 1.00 10.00 H new ATOM 0 HG23 ILE A 70 0.020 -8.770 8.093 1.00 10.00 H new ATOM 0 HD11 ILE A 70 0.288 -11.999 10.884 1.00 10.00 H new ATOM 0 HD12 ILE A 70 1.759 -11.021 11.100 1.00 10.00 H new ATOM 0 HD13 ILE A 70 0.196 -10.223 10.805 1.00 10.00 H new ATOM 1105 N VAL A 71 3.795 -8.516 6.169 1.00 10.00 N ATOM 1106 CA VAL A 71 4.259 -7.408 5.316 1.00 10.00 C ATOM 1107 C VAL A 71 4.082 -7.740 3.834 1.00 10.00 C ATOM 1108 O VAL A 71 3.447 -6.982 3.108 1.00 10.00 O ATOM 1109 CB VAL A 71 5.747 -7.136 5.583 1.00 10.00 C ATOM 1110 CG1 VAL A 71 6.357 -6.106 4.624 1.00 10.00 C ATOM 1111 CG2 VAL A 71 5.980 -6.651 7.016 1.00 10.00 C ATOM 0 H VAL A 71 4.542 -8.952 6.710 1.00 10.00 H new ATOM 0 HA VAL A 71 3.662 -6.529 5.556 1.00 10.00 H new ATOM 0 HB VAL A 71 6.241 -8.094 5.421 1.00 10.00 H new ATOM 0 HG11 VAL A 71 7.409 -5.961 4.868 1.00 10.00 H new ATOM 0 HG12 VAL A 71 6.268 -6.466 3.599 1.00 10.00 H new ATOM 0 HG13 VAL A 71 5.827 -5.158 4.723 1.00 10.00 H new ATOM 0 HG21 VAL A 71 7.044 -6.468 7.170 1.00 10.00 H new ATOM 0 HG22 VAL A 71 5.425 -5.727 7.182 1.00 10.00 H new ATOM 0 HG23 VAL A 71 5.637 -7.411 7.718 1.00 10.00 H new ATOM 1121 N ASP A 72 4.640 -8.874 3.397 1.00 10.00 N ATOM 1122 CA ASP A 72 4.531 -9.375 2.026 1.00 10.00 C ATOM 1123 C ASP A 72 3.062 -9.573 1.635 1.00 10.00 C ATOM 1124 O ASP A 72 2.651 -9.123 0.567 1.00 10.00 O ATOM 1125 CB ASP A 72 5.337 -10.676 1.905 1.00 10.00 C ATOM 1126 CG ASP A 72 5.427 -11.164 0.458 1.00 10.00 C ATOM 1127 OD1 ASP A 72 6.092 -10.462 -0.335 1.00 10.00 O ATOM 1128 OD2 ASP A 72 4.856 -12.240 0.176 1.00 10.00 O ATOM 0 H ASP A 72 5.192 -9.482 4.002 1.00 10.00 H new ATOM 0 HA ASP A 72 4.945 -8.644 1.331 1.00 10.00 H new ATOM 0 HB2 ASP A 72 6.342 -10.517 2.297 1.00 10.00 H new ATOM 0 HB3 ASP A 72 4.873 -11.448 2.519 1.00 10.00 H new ATOM 1133 N GLU A 73 2.244 -10.111 2.552 1.00 10.00 N ATOM 1134 CA GLU A 73 0.797 -10.201 2.367 1.00 10.00 C ATOM 1135 C GLU A 73 0.141 -8.817 2.280 1.00 10.00 C ATOM 1136 O GLU A 73 -0.748 -8.636 1.452 1.00 10.00 O ATOM 1137 CB GLU A 73 0.130 -10.926 3.540 1.00 10.00 C ATOM 1138 CG GLU A 73 0.411 -12.425 3.701 1.00 10.00 C ATOM 1139 CD GLU A 73 -0.326 -12.985 4.930 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -1.316 -12.358 5.388 1.00 10.00 O ATOM 1141 OE2 GLU A 73 0.077 -14.054 5.450 1.00 10.00 O ATOM 0 H GLU A 73 2.571 -10.494 3.439 1.00 10.00 H new ATOM 0 HA GLU A 73 0.655 -10.748 1.435 1.00 10.00 H new ATOM 0 HB2 GLU A 73 0.434 -10.427 4.460 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -0.948 -10.794 3.447 1.00 10.00 H new ATOM 0 HG2 GLU A 73 0.093 -12.958 2.805 1.00 10.00 H new ATOM 0 HG3 GLU A 73 1.483 -12.590 3.807 1.00 10.00 H new ATOM 1148 N ALA A 74 0.557 -7.833 3.092 1.00 10.00 N ATOM 1149 CA ALA A 74 -0.045 -6.499 3.041 1.00 10.00 C ATOM 1150 C ALA A 74 0.282 -5.796 1.718 1.00 10.00 C ATOM 1151 O ALA A 74 -0.584 -5.171 1.105 1.00 10.00 O ATOM 1152 CB ALA A 74 0.444 -5.661 4.226 1.00 10.00 C ATOM 0 H ALA A 74 1.300 -7.937 3.783 1.00 10.00 H new ATOM 0 HA ALA A 74 -1.128 -6.608 3.103 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.008 -4.670 4.182 1.00 10.00 H new ATOM 0 HB2 ALA A 74 0.159 -6.148 5.158 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.529 -5.567 4.182 1.00 10.00 H new ATOM 1158 N VAL A 75 1.533 -5.933 1.271 1.00 10.00 N ATOM 1159 CA VAL A 75 2.035 -5.403 0.005 1.00 10.00 C ATOM 1160 C VAL A 75 1.353 -6.095 -1.188 1.00 10.00 C ATOM 1161 O VAL A 75 0.824 -5.406 -2.053 1.00 10.00 O ATOM 1162 CB VAL A 75 3.574 -5.512 0.010 1.00 10.00 C ATOM 1163 CG1 VAL A 75 4.185 -5.231 -1.360 1.00 10.00 C ATOM 1164 CG2 VAL A 75 4.177 -4.515 1.014 1.00 10.00 C ATOM 0 H VAL A 75 2.247 -6.433 1.800 1.00 10.00 H new ATOM 0 HA VAL A 75 1.783 -4.348 -0.107 1.00 10.00 H new ATOM 0 HB VAL A 75 3.807 -6.539 0.292 1.00 10.00 H new ATOM 0 HG11 VAL A 75 5.270 -5.321 -1.300 1.00 10.00 H new ATOM 0 HG12 VAL A 75 3.801 -5.949 -2.084 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.922 -4.221 -1.676 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.263 -4.603 1.007 1.00 10.00 H new ATOM 0 HG22 VAL A 75 3.893 -3.500 0.734 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.802 -4.734 2.014 1.00 10.00 H new ATOM 1174 N ASP A 76 1.248 -7.430 -1.199 1.00 10.00 N ATOM 1175 CA ASP A 76 0.475 -8.221 -2.167 1.00 10.00 C ATOM 1176 C ASP A 76 -1.018 -7.842 -2.172 1.00 10.00 C ATOM 1177 O ASP A 76 -1.602 -7.665 -3.242 1.00 10.00 O ATOM 1178 CB ASP A 76 0.666 -9.708 -1.820 1.00 10.00 C ATOM 1179 CG ASP A 76 -0.205 -10.643 -2.657 1.00 10.00 C ATOM 1180 OD1 ASP A 76 -1.358 -10.903 -2.253 1.00 10.00 O ATOM 1181 OD2 ASP A 76 0.241 -11.110 -3.729 1.00 10.00 O ATOM 0 H ASP A 76 1.718 -8.013 -0.506 1.00 10.00 H new ATOM 0 HA ASP A 76 0.840 -8.013 -3.173 1.00 10.00 H new ATOM 0 HB2 ASP A 76 1.713 -9.975 -1.962 1.00 10.00 H new ATOM 0 HB3 ASP A 76 0.439 -9.859 -0.765 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.627 -7.633 -1.001 1.00 10.00 N ATOM 1187 CA ALA A 77 -3.010 -7.172 -0.895 1.00 10.00 C ATOM 1188 C ALA A 77 -3.175 -5.763 -1.483 1.00 10.00 C ATOM 1189 O ALA A 77 -4.127 -5.520 -2.227 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.464 -7.228 0.568 1.00 10.00 C ATOM 0 H ALA A 77 -1.172 -7.780 -0.100 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.646 -7.836 -1.480 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.495 -6.883 0.642 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.397 -8.254 0.931 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -2.823 -6.587 1.173 1.00 10.00 H new ATOM 1196 N ALA A 78 -2.228 -4.855 -1.212 1.00 10.00 N ATOM 1197 CA ALA A 78 -2.181 -3.540 -1.840 1.00 10.00 C ATOM 1198 C ALA A 78 -1.967 -3.624 -3.361 1.00 10.00 C ATOM 1199 O ALA A 78 -2.644 -2.900 -4.085 1.00 10.00 O ATOM 1200 CB ALA A 78 -1.114 -2.689 -1.147 1.00 10.00 C ATOM 0 H ALA A 78 -1.472 -5.019 -0.547 1.00 10.00 H new ATOM 0 HA ALA A 78 -3.150 -3.057 -1.713 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -1.075 -1.704 -1.613 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.364 -2.581 -0.091 1.00 10.00 H new ATOM 0 HB3 ALA A 78 -0.143 -3.175 -1.242 1.00 10.00 H new ATOM 1206 N TYR A 79 -1.118 -4.535 -3.863 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.974 -4.762 -5.306 1.00 10.00 C ATOM 1208 C TYR A 79 -2.267 -5.293 -5.936 1.00 10.00 C ATOM 1209 O TYR A 79 -2.733 -4.737 -6.927 1.00 10.00 O ATOM 1210 CB TYR A 79 0.147 -5.784 -5.568 1.00 10.00 C ATOM 1211 CG TYR A 79 1.558 -5.238 -5.531 1.00 10.00 C ATOM 1212 CD1 TYR A 79 1.935 -4.285 -6.498 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.508 -5.739 -4.613 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.255 -3.804 -6.547 1.00 10.00 C ATOM 1215 CE2 TYR A 79 3.843 -5.291 -4.698 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.214 -4.314 -5.646 1.00 10.00 C ATOM 1217 OH TYR A 79 5.501 -3.875 -5.698 1.00 10.00 O ATOM 0 H TYR A 79 -0.520 -5.127 -3.287 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.734 -3.800 -5.758 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.066 -6.581 -4.829 1.00 10.00 H new ATOM 0 HB3 TYR A 79 -0.021 -6.237 -6.545 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.205 -3.922 -7.206 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.217 -6.454 -3.858 1.00 10.00 H new ATOM 0 HE1 TYR A 79 3.533 -3.050 -7.269 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.588 -5.700 -4.031 1.00 10.00 H new ATOM 0 HH TYR A 79 6.029 -4.327 -5.008 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.956 -6.251 -5.300 1.00 10.00 N ATOM 1228 CA ARG A 80 -4.249 -6.748 -5.803 1.00 10.00 C ATOM 1229 C ARG A 80 -5.295 -5.636 -5.784 1.00 10.00 C ATOM 1230 O ARG A 80 -5.992 -5.430 -6.776 1.00 10.00 O ATOM 1231 CB ARG A 80 -4.707 -7.974 -4.998 1.00 10.00 C ATOM 1232 CG ARG A 80 -3.806 -9.181 -5.292 1.00 10.00 C ATOM 1233 CD ARG A 80 -4.142 -10.379 -4.398 1.00 10.00 C ATOM 1234 NE ARG A 80 -2.998 -11.299 -4.342 1.00 10.00 N ATOM 1235 CZ ARG A 80 -2.585 -12.168 -5.249 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -3.347 -12.549 -6.248 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -1.373 -12.651 -5.169 1.00 10.00 N ATOM 0 H ARG A 80 -2.642 -6.698 -4.438 1.00 10.00 H new ATOM 0 HA ARG A 80 -4.124 -7.064 -6.839 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -4.682 -7.746 -3.932 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -5.740 -8.215 -5.249 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -3.914 -9.468 -6.338 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -2.763 -8.900 -5.144 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -4.393 -10.036 -3.394 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -5.019 -10.898 -4.786 1.00 10.00 H new ATOM 0 HE ARG A 80 -2.446 -11.262 -3.485 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -4.290 -12.172 -6.342 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -2.996 -13.221 -6.930 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -0.756 -12.357 -4.412 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -1.045 -13.322 -5.864 1.00 10.00 H new ATOM 1251 N SER A 81 -5.343 -4.870 -4.690 1.00 10.00 N ATOM 1252 CA SER A 81 -6.222 -3.714 -4.554 1.00 10.00 C ATOM 1253 C SER A 81 -5.862 -2.532 -5.465 1.00 10.00 C ATOM 1254 O SER A 81 -6.705 -1.646 -5.594 1.00 10.00 O ATOM 1255 CB SER A 81 -6.257 -3.239 -3.101 1.00 10.00 C ATOM 1256 OG SER A 81 -7.276 -2.268 -2.992 1.00 10.00 O ATOM 0 H SER A 81 -4.765 -5.040 -3.867 1.00 10.00 H new ATOM 0 HA SER A 81 -7.205 -4.062 -4.872 1.00 10.00 H new ATOM 0 HB2 SER A 81 -6.452 -4.075 -2.430 1.00 10.00 H new ATOM 0 HB3 SER A 81 -5.294 -2.817 -2.813 1.00 10.00 H new ATOM 0 HG SER A 81 -7.474 -1.900 -3.879 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.653 -2.468 -6.040 1.00 10.00 N ATOM 1263 CA LEU A 82 -4.277 -1.517 -7.086 1.00 10.00 C ATOM 1264 C LEU A 82 -4.616 -2.045 -8.484 1.00 10.00 C ATOM 1265 O LEU A 82 -5.229 -1.340 -9.285 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.771 -1.227 -6.981 1.00 10.00 C ATOM 1267 CG LEU A 82 -2.272 -0.113 -7.922 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -2.927 1.244 -7.632 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -0.757 0.041 -7.770 1.00 10.00 C ATOM 0 H LEU A 82 -3.891 -3.095 -5.781 1.00 10.00 H new ATOM 0 HA LEU A 82 -4.848 -0.600 -6.939 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -2.537 -0.950 -5.953 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -2.221 -2.143 -7.197 1.00 10.00 H new ATOM 0 HG LEU A 82 -2.542 -0.409 -8.936 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -2.538 1.991 -8.324 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -4.007 1.161 -7.756 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -2.702 1.546 -6.609 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -0.403 0.829 -8.435 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -0.520 0.303 -6.739 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -0.268 -0.899 -8.028 1.00 10.00 H new ATOM 1281 N GLU A 83 -4.264 -3.298 -8.775 1.00 10.00 N ATOM 1282 CA GLU A 83 -4.445 -3.859 -10.109 1.00 10.00 C ATOM 1283 C GLU A 83 -5.937 -4.051 -10.415 1.00 10.00 C ATOM 1284 O GLU A 83 -6.385 -3.632 -11.482 1.00 10.00 O ATOM 1285 CB GLU A 83 -3.648 -5.171 -10.237 1.00 10.00 C ATOM 1286 CG GLU A 83 -2.184 -4.972 -10.677 1.00 10.00 C ATOM 1287 CD GLU A 83 -1.299 -4.185 -9.695 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -1.397 -2.936 -9.699 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -0.489 -4.831 -8.991 1.00 10.00 O ATOM 0 H GLU A 83 -3.851 -3.943 -8.101 1.00 10.00 H new ATOM 0 HA GLU A 83 -4.057 -3.163 -10.852 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -3.662 -5.688 -9.278 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -4.148 -5.820 -10.956 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -1.735 -5.952 -10.838 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -2.178 -4.457 -11.637 1.00 10.00 H new ATOM 1296 N SER A 84 -6.742 -4.526 -9.449 1.00 10.00 N ATOM 1297 CA SER A 84 -8.205 -4.598 -9.590 1.00 10.00 C ATOM 1298 C SER A 84 -8.888 -3.220 -9.598 1.00 10.00 C ATOM 1299 O SER A 84 -10.026 -3.100 -10.041 1.00 10.00 O ATOM 1300 CB SER A 84 -8.821 -5.462 -8.486 1.00 10.00 C ATOM 1301 OG SER A 84 -8.405 -6.807 -8.629 1.00 10.00 O ATOM 0 H SER A 84 -6.398 -4.869 -8.552 1.00 10.00 H new ATOM 0 HA SER A 84 -8.382 -5.055 -10.564 1.00 10.00 H new ATOM 0 HB2 SER A 84 -8.522 -5.083 -7.508 1.00 10.00 H new ATOM 0 HB3 SER A 84 -9.908 -5.403 -8.532 1.00 10.00 H new ATOM 0 HG SER A 84 -8.803 -7.350 -7.917 1.00 10.00 H new ATOM 1307 N PHE A 85 -8.205 -2.176 -9.118 1.00 10.00 N ATOM 1308 CA PHE A 85 -8.651 -0.781 -9.160 1.00 10.00 C ATOM 1309 C PHE A 85 -8.369 -0.164 -10.547 1.00 10.00 C ATOM 1310 O PHE A 85 -9.251 0.476 -11.119 1.00 10.00 O ATOM 1311 CB PHE A 85 -7.991 -0.102 -7.939 1.00 10.00 C ATOM 1312 CG PHE A 85 -7.972 1.402 -7.736 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -7.278 2.229 -8.637 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -8.435 1.945 -6.520 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -7.065 3.588 -8.341 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -8.218 3.302 -6.217 1.00 10.00 C ATOM 1317 CZ PHE A 85 -7.537 4.125 -7.130 1.00 10.00 C ATOM 0 H PHE A 85 -7.293 -2.284 -8.674 1.00 10.00 H new ATOM 0 HA PHE A 85 -9.729 -0.648 -9.066 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -8.467 -0.527 -7.055 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -6.951 -0.428 -7.929 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -6.906 1.818 -9.564 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -8.960 1.315 -5.817 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -6.539 4.218 -9.043 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -8.575 3.711 -5.283 1.00 10.00 H new ATOM 0 HZ PHE A 85 -7.376 5.168 -6.902 1.00 10.00 H new ATOM 1327 N LEU A 86 -7.200 -0.421 -11.155 1.00 10.00 N ATOM 1328 CA LEU A 86 -6.915 -0.012 -12.543 1.00 10.00 C ATOM 1329 C LEU A 86 -7.778 -0.784 -13.563 1.00 10.00 C ATOM 1330 O LEU A 86 -8.321 -0.163 -14.485 1.00 10.00 O ATOM 1331 CB LEU A 86 -5.416 -0.268 -12.826 1.00 10.00 C ATOM 1332 CG LEU A 86 -4.442 0.897 -12.548 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -4.549 1.958 -13.640 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -4.648 1.608 -11.208 1.00 10.00 C ATOM 0 H LEU A 86 -6.430 -0.914 -10.704 1.00 10.00 H new ATOM 0 HA LEU A 86 -7.158 1.045 -12.652 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -5.100 -1.124 -12.229 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -5.313 -0.554 -13.873 1.00 10.00 H new ATOM 0 HG LEU A 86 -3.461 0.422 -12.524 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -3.855 2.771 -13.427 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -4.302 1.514 -14.604 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -5.566 2.348 -13.670 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -3.917 2.410 -11.105 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -5.654 2.027 -11.169 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -4.520 0.894 -10.394 1.00 10.00 H new