USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 23 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.23) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 148:sc= 1 (180deg=0.145) USER MOD Single : A 28 THR OG1 : rot -83:sc= 1.49 USER MOD Single : A 29 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.054) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 90:sc= 0.107 USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0102) USER MOD Single : A 37 ASN : amide:sc= -0.0918 X(o=-0.092,f=-0.091) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.818 K(o=0.82,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0958 USER MOD Single : A 48 SER OG : rot -62:sc= 0.77 USER MOD Single : A 54 ASN : amide:sc=-0.000208 K(o=-0.00021,f=-1.1) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0248) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 13 -9.401 1.998 -9.508 1.00 0.00 N ATOM 152 CA GLU A 13 -8.120 2.680 -9.378 1.00 0.00 C ATOM 153 C GLU A 13 -7.407 2.265 -8.095 1.00 0.00 C ATOM 154 O GLU A 13 -6.204 2.028 -8.114 1.00 0.00 O ATOM 155 CB GLU A 13 -8.334 4.199 -9.439 1.00 0.00 C ATOM 156 CG GLU A 13 -8.775 4.597 -10.850 1.00 0.00 C ATOM 157 CD GLU A 13 -8.866 6.099 -11.100 1.00 0.00 C ATOM 158 OE1 GLU A 13 -9.228 6.895 -10.194 1.00 0.00 O ATOM 159 OE2 GLU A 13 -8.535 6.503 -12.235 1.00 0.00 O ATOM 0 HA GLU A 13 -7.477 2.389 -10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.089 4.500 -8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.412 4.718 -9.175 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.076 4.167 -11.567 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.750 4.152 -11.048 1.00 0.00 H new ATOM 166 N VAL A 14 -8.148 2.120 -6.995 1.00 0.00 N ATOM 167 CA VAL A 14 -7.627 1.608 -5.734 1.00 0.00 C ATOM 168 C VAL A 14 -6.990 0.237 -5.967 1.00 0.00 C ATOM 169 O VAL A 14 -5.802 0.080 -5.707 1.00 0.00 O ATOM 170 CB VAL A 14 -8.751 1.641 -4.677 1.00 0.00 C ATOM 171 CG1 VAL A 14 -8.466 0.849 -3.404 1.00 0.00 C ATOM 172 CG2 VAL A 14 -8.959 3.084 -4.210 1.00 0.00 C ATOM 0 H VAL A 14 -9.139 2.359 -6.958 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.828 2.233 -5.337 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.611 1.197 -5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.314 0.934 -2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.307 -0.199 -3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.573 1.246 -2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.752 3.114 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.035 3.462 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.239 3.705 -5.061 1.00 0.00 H new ATOM 182 N GLY A 15 -7.738 -0.743 -6.476 1.00 0.00 N ATOM 183 CA GLY A 15 -7.235 -2.090 -6.696 1.00 0.00 C ATOM 184 C GLY A 15 -6.039 -2.124 -7.646 1.00 0.00 C ATOM 185 O GLY A 15 -5.078 -2.853 -7.404 1.00 0.00 O ATOM 0 H GLY A 15 -8.714 -0.619 -6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.947 -2.527 -5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.034 -2.710 -7.102 1.00 0.00 H new ATOM 189 N LYS A 16 -6.077 -1.315 -8.705 1.00 0.00 N ATOM 190 CA LYS A 16 -4.999 -1.171 -9.674 1.00 0.00 C ATOM 191 C LYS A 16 -3.728 -0.674 -8.982 1.00 0.00 C ATOM 192 O LYS A 16 -2.690 -1.325 -9.112 1.00 0.00 O ATOM 193 CB LYS A 16 -5.501 -0.233 -10.786 1.00 0.00 C ATOM 194 CG LYS A 16 -4.514 0.087 -11.914 1.00 0.00 C ATOM 195 CD LYS A 16 -4.107 -1.114 -12.777 1.00 0.00 C ATOM 196 CE LYS A 16 -2.771 -1.696 -12.305 1.00 0.00 C ATOM 197 NZ LYS A 16 -2.288 -2.732 -13.234 1.00 0.00 N ATOM 0 H LYS A 16 -6.883 -0.727 -8.915 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.730 -2.126 -10.125 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.392 -0.677 -11.229 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.808 0.706 -10.326 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.956 0.846 -12.559 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.615 0.523 -11.478 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.880 -1.881 -12.729 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.027 -0.807 -13.820 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.031 -0.900 -12.226 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.888 -2.122 -11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.382 -3.110 -12.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.986 -3.501 -13.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.155 -2.317 -14.178 1.00 0.00 H new ATOM 211 N VAL A 17 -3.794 0.446 -8.257 1.00 0.00 N ATOM 212 CA VAL A 17 -2.653 1.019 -7.549 1.00 0.00 C ATOM 213 C VAL A 17 -2.163 0.056 -6.467 1.00 0.00 C ATOM 214 O VAL A 17 -0.952 -0.065 -6.282 1.00 0.00 O ATOM 215 CB VAL A 17 -3.023 2.411 -6.985 1.00 0.00 C ATOM 216 CG1 VAL A 17 -1.966 2.966 -6.020 1.00 0.00 C ATOM 217 CG2 VAL A 17 -3.186 3.406 -8.147 1.00 0.00 C ATOM 0 H VAL A 17 -4.653 0.985 -8.146 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.825 1.164 -8.243 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.953 2.288 -6.429 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.282 3.944 -5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.851 2.286 -5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.013 3.062 -6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.447 4.388 -7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.250 3.475 -8.701 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.977 3.061 -8.813 1.00 0.00 H new ATOM 227 N ILE A 18 -3.066 -0.641 -5.769 1.00 0.00 N ATOM 228 CA ILE A 18 -2.713 -1.653 -4.781 1.00 0.00 C ATOM 229 C ILE A 18 -1.842 -2.700 -5.466 1.00 0.00 C ATOM 230 O ILE A 18 -0.716 -2.910 -5.019 1.00 0.00 O ATOM 231 CB ILE A 18 -3.974 -2.229 -4.087 1.00 0.00 C ATOM 232 CG1 ILE A 18 -4.538 -1.166 -3.125 1.00 0.00 C ATOM 233 CG2 ILE A 18 -3.650 -3.497 -3.273 1.00 0.00 C ATOM 234 CD1 ILE A 18 -5.993 -1.387 -2.719 1.00 0.00 C ATOM 0 H ILE A 18 -4.072 -0.513 -5.879 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.133 -1.217 -3.967 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.696 -2.491 -4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.922 -1.145 -2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.450 -0.186 -3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.560 -3.870 -2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.245 -4.262 -3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.915 -3.258 -2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.306 -0.593 -2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.624 -1.376 -3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.089 -2.350 -2.218 1.00 0.00 H new ATOM 246 N GLN A 19 -2.325 -3.325 -6.546 1.00 0.00 N ATOM 247 CA GLN A 19 -1.594 -4.358 -7.261 1.00 0.00 C ATOM 248 C GLN A 19 -0.195 -3.854 -7.630 1.00 0.00 C ATOM 249 O GLN A 19 0.808 -4.485 -7.295 1.00 0.00 O ATOM 250 CB GLN A 19 -2.371 -4.774 -8.522 1.00 0.00 C ATOM 251 CG GLN A 19 -1.822 -6.099 -9.071 1.00 0.00 C ATOM 252 CD GLN A 19 -2.369 -6.407 -10.462 1.00 0.00 C ATOM 253 OE1 GLN A 19 -2.009 -5.736 -11.429 1.00 0.00 O ATOM 254 NE2 GLN A 19 -3.240 -7.390 -10.607 1.00 0.00 N ATOM 0 H GLN A 19 -3.241 -3.121 -6.945 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.486 -5.230 -6.616 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.430 -4.880 -8.287 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.290 -3.996 -9.281 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.734 -6.053 -9.111 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.082 -6.910 -8.391 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.530 -7.938 -9.797 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.623 -7.601 -11.529 1.00 0.00 H new ATOM 263 N GLN A 20 -0.131 -2.718 -8.329 1.00 0.00 N ATOM 264 CA GLN A 20 1.111 -2.174 -8.847 1.00 0.00 C ATOM 265 C GLN A 20 2.083 -1.828 -7.720 1.00 0.00 C ATOM 266 O GLN A 20 3.279 -2.090 -7.835 1.00 0.00 O ATOM 267 CB GLN A 20 0.804 -0.911 -9.678 1.00 0.00 C ATOM 268 CG GLN A 20 1.432 -0.925 -11.076 1.00 0.00 C ATOM 269 CD GLN A 20 2.338 0.288 -11.323 1.00 0.00 C ATOM 270 OE1 GLN A 20 3.311 0.520 -10.602 1.00 0.00 O ATOM 271 NE2 GLN A 20 2.073 1.086 -12.343 1.00 0.00 N ATOM 0 H GLN A 20 -0.950 -2.151 -8.549 1.00 0.00 H new ATOM 0 HA GLN A 20 1.583 -2.930 -9.474 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.276 -0.805 -9.776 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.162 -0.035 -9.137 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.012 -1.839 -11.202 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.641 -0.943 -11.826 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.269 0.898 -12.942 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.672 1.890 -12.531 1.00 0.00 H new ATOM 280 N GLY A 21 1.596 -1.236 -6.631 1.00 0.00 N ATOM 281 CA GLY A 21 2.447 -0.797 -5.545 1.00 0.00 C ATOM 282 C GLY A 21 2.961 -1.973 -4.734 1.00 0.00 C ATOM 283 O GLY A 21 4.151 -2.005 -4.407 1.00 0.00 O ATOM 0 H GLY A 21 0.604 -1.051 -6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.290 -0.234 -5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.891 -0.121 -4.896 1.00 0.00 H new ATOM 287 N ARG A 22 2.099 -2.964 -4.458 1.00 0.00 N ATOM 288 CA ARG A 22 2.516 -4.216 -3.861 1.00 0.00 C ATOM 289 C ARG A 22 3.656 -4.808 -4.669 1.00 0.00 C ATOM 290 O ARG A 22 4.737 -5.025 -4.124 1.00 0.00 O ATOM 291 CB ARG A 22 1.360 -5.227 -3.848 1.00 0.00 C ATOM 292 CG ARG A 22 0.328 -5.021 -2.748 1.00 0.00 C ATOM 293 CD ARG A 22 -0.296 -6.340 -2.278 1.00 0.00 C ATOM 294 NE ARG A 22 -1.018 -7.063 -3.337 1.00 0.00 N ATOM 295 CZ ARG A 22 -0.558 -8.017 -4.160 1.00 0.00 C ATOM 296 NH1 ARG A 22 0.692 -8.467 -4.079 1.00 0.00 N ATOM 297 NH2 ARG A 22 -1.384 -8.535 -5.060 1.00 0.00 N ATOM 0 H ARG A 22 1.098 -2.908 -4.647 1.00 0.00 H new ATOM 0 HA ARG A 22 2.832 -4.015 -2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.853 -5.186 -4.812 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.777 -6.229 -3.749 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.799 -4.523 -1.901 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.458 -4.359 -3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.490 -6.983 -1.882 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.983 -6.135 -1.457 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.997 -6.805 -3.462 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.327 -8.085 -3.378 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.015 -9.193 -4.718 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.348 -8.207 -5.116 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.055 -9.262 -5.696 1.00 0.00 H new ATOM 311 N GLN A 23 3.403 -5.087 -5.949 1.00 0.00 N ATOM 312 CA GLN A 23 4.322 -5.819 -6.796 1.00 0.00 C ATOM 313 C GLN A 23 5.628 -5.046 -6.982 1.00 0.00 C ATOM 314 O GLN A 23 6.689 -5.662 -7.057 1.00 0.00 O ATOM 315 CB GLN A 23 3.592 -6.191 -8.097 1.00 0.00 C ATOM 316 CG GLN A 23 3.662 -5.216 -9.276 1.00 0.00 C ATOM 317 CD GLN A 23 4.908 -5.381 -10.137 1.00 0.00 C ATOM 318 OE1 GLN A 23 5.784 -4.523 -10.123 1.00 0.00 O ATOM 319 NE2 GLN A 23 4.987 -6.444 -10.914 1.00 0.00 N ATOM 0 H GLN A 23 2.545 -4.805 -6.423 1.00 0.00 H new ATOM 0 HA GLN A 23 4.632 -6.754 -6.330 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.985 -7.150 -8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.540 -6.345 -7.855 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.779 -5.352 -9.901 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.628 -4.196 -8.894 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.242 -7.140 -10.903 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.793 -6.570 -11.526 1.00 0.00 H new ATOM 328 N SER A 24 5.564 -3.710 -6.967 1.00 0.00 N ATOM 329 CA SER A 24 6.741 -2.858 -7.060 1.00 0.00 C ATOM 330 C SER A 24 7.670 -3.037 -5.852 1.00 0.00 C ATOM 331 O SER A 24 8.870 -2.788 -5.970 1.00 0.00 O ATOM 332 CB SER A 24 6.276 -1.404 -7.189 1.00 0.00 C ATOM 333 OG SER A 24 7.349 -0.535 -7.475 1.00 0.00 O ATOM 0 H SER A 24 4.688 -3.193 -6.890 1.00 0.00 H new ATOM 0 HA SER A 24 7.321 -3.141 -7.938 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.528 -1.330 -7.978 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.793 -1.093 -6.262 1.00 0.00 H new ATOM 0 HG SER A 24 7.015 0.383 -7.552 1.00 0.00 H new ATOM 339 N LYS A 25 7.154 -3.470 -4.697 1.00 0.00 N ATOM 340 CA LYS A 25 7.922 -3.712 -3.475 1.00 0.00 C ATOM 341 C LYS A 25 7.951 -5.204 -3.124 1.00 0.00 C ATOM 342 O LYS A 25 8.331 -5.541 -2.005 1.00 0.00 O ATOM 343 CB LYS A 25 7.396 -2.808 -2.344 1.00 0.00 C ATOM 344 CG LYS A 25 7.653 -1.329 -2.662 1.00 0.00 C ATOM 345 CD LYS A 25 7.328 -0.407 -1.482 1.00 0.00 C ATOM 346 CE LYS A 25 7.486 1.033 -1.979 1.00 0.00 C ATOM 347 NZ LYS A 25 7.417 2.038 -0.901 1.00 0.00 N ATOM 0 H LYS A 25 6.160 -3.667 -4.585 1.00 0.00 H new ATOM 0 HA LYS A 25 8.966 -3.440 -3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.328 -2.974 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.883 -3.072 -1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.698 -1.198 -2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.052 -1.037 -3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.313 -0.582 -1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.999 -0.601 -0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.442 1.129 -2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.707 1.244 -2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.026 2.847 -1.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.435 2.364 -0.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.742 1.613 -0.009 1.00 0.00 H new ATOM 361 N GLY A 26 7.549 -6.090 -4.043 1.00 0.00 N ATOM 362 CA GLY A 26 7.500 -7.534 -3.826 1.00 0.00 C ATOM 363 C GLY A 26 6.532 -7.951 -2.713 1.00 0.00 C ATOM 364 O GLY A 26 6.594 -9.086 -2.238 1.00 0.00 O ATOM 0 H GLY A 26 7.243 -5.814 -4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.206 -8.023 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.500 -7.891 -3.580 1.00 0.00 H new ATOM 368 N LEU A 27 5.655 -7.055 -2.253 1.00 0.00 N ATOM 369 CA LEU A 27 4.820 -7.302 -1.087 1.00 0.00 C ATOM 370 C LEU A 27 3.734 -8.288 -1.508 1.00 0.00 C ATOM 371 O LEU A 27 2.904 -7.973 -2.368 1.00 0.00 O ATOM 372 CB LEU A 27 4.209 -5.977 -0.581 1.00 0.00 C ATOM 373 CG LEU A 27 5.259 -4.970 -0.065 1.00 0.00 C ATOM 374 CD1 LEU A 27 4.674 -3.561 0.065 1.00 0.00 C ATOM 375 CD2 LEU A 27 5.830 -5.382 1.292 1.00 0.00 C ATOM 0 H LEU A 27 5.508 -6.141 -2.681 1.00 0.00 H new ATOM 0 HA LEU A 27 5.404 -7.720 -0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.642 -5.516 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.502 -6.195 0.220 1.00 0.00 H new ATOM 0 HG LEU A 27 6.059 -4.968 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.443 -2.880 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.323 -3.222 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.840 -3.577 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.565 -4.645 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.024 -5.438 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.309 -6.357 1.204 1.00 0.00 H new ATOM 387 N THR A 28 3.694 -9.462 -0.876 1.00 0.00 N ATOM 388 CA THR A 28 2.593 -10.396 -1.066 1.00 0.00 C ATOM 389 C THR A 28 1.297 -9.784 -0.510 1.00 0.00 C ATOM 390 O THR A 28 1.301 -8.721 0.123 1.00 0.00 O ATOM 391 CB THR A 28 2.913 -11.768 -0.441 1.00 0.00 C ATOM 392 OG1 THR A 28 2.900 -11.740 0.979 1.00 0.00 O ATOM 393 CG2 THR A 28 4.239 -12.349 -0.933 1.00 0.00 C ATOM 0 H THR A 28 4.413 -9.785 -0.229 1.00 0.00 H new ATOM 0 HA THR A 28 2.450 -10.573 -2.132 1.00 0.00 H new ATOM 0 HB THR A 28 2.109 -12.423 -0.778 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.762 -11.410 1.308 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.411 -13.315 -0.459 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.201 -12.477 -2.015 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.052 -11.669 -0.677 1.00 0.00 H new ATOM 401 N GLN A 29 0.164 -10.456 -0.705 1.00 0.00 N ATOM 402 CA GLN A 29 -1.080 -9.995 -0.103 1.00 0.00 C ATOM 403 C GLN A 29 -1.024 -10.163 1.413 1.00 0.00 C ATOM 404 O GLN A 29 -1.484 -9.270 2.118 1.00 0.00 O ATOM 405 CB GLN A 29 -2.273 -10.712 -0.738 1.00 0.00 C ATOM 406 CG GLN A 29 -2.423 -10.201 -2.177 1.00 0.00 C ATOM 407 CD GLN A 29 -3.441 -10.987 -2.983 1.00 0.00 C ATOM 408 OE1 GLN A 29 -3.373 -12.211 -3.059 1.00 0.00 O ATOM 409 NE2 GLN A 29 -4.327 -10.307 -3.675 1.00 0.00 N ATOM 0 H GLN A 29 0.083 -11.305 -1.264 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.212 -8.931 -0.299 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.117 -11.791 -0.731 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.182 -10.518 -0.168 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.717 -9.152 -2.155 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.456 -10.251 -2.677 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.365 -9.291 -3.596 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.977 -10.795 -4.291 1.00 0.00 H new ATOM 418 N LYS A 30 -0.410 -11.237 1.931 1.00 0.00 N ATOM 419 CA LYS A 30 -0.185 -11.382 3.360 1.00 0.00 C ATOM 420 C LYS A 30 0.769 -10.315 3.890 1.00 0.00 C ATOM 421 O LYS A 30 0.585 -9.861 5.016 1.00 0.00 O ATOM 422 CB LYS A 30 0.337 -12.784 3.683 1.00 0.00 C ATOM 423 CG LYS A 30 -0.691 -13.883 3.366 1.00 0.00 C ATOM 424 CD LYS A 30 -0.345 -15.219 4.036 1.00 0.00 C ATOM 425 CE LYS A 30 -1.511 -16.205 3.877 1.00 0.00 C ATOM 426 NZ LYS A 30 -1.310 -17.451 4.646 1.00 0.00 N ATOM 0 H LYS A 30 -0.063 -12.016 1.371 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.143 -11.244 3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.248 -12.969 3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.604 -12.834 4.739 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.678 -13.559 3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.746 -14.025 2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.558 -15.636 3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.134 -15.061 5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.434 -15.726 4.203 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.634 -16.449 2.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.125 -18.082 4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.444 -17.925 4.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.219 -17.224 5.657 1.00 0.00 H new ATOM 440 N ASP A 31 1.776 -9.903 3.113 1.00 0.00 N ATOM 441 CA ASP A 31 2.682 -8.827 3.525 1.00 0.00 C ATOM 442 C ASP A 31 1.873 -7.559 3.760 1.00 0.00 C ATOM 443 O ASP A 31 2.000 -6.925 4.809 1.00 0.00 O ATOM 444 CB ASP A 31 3.765 -8.484 2.492 1.00 0.00 C ATOM 445 CG ASP A 31 5.000 -9.366 2.549 1.00 0.00 C ATOM 446 OD1 ASP A 31 4.866 -10.590 2.335 1.00 0.00 O ATOM 447 OD2 ASP A 31 6.113 -8.827 2.733 1.00 0.00 O ATOM 0 H ASP A 31 1.984 -10.298 2.196 1.00 0.00 H new ATOM 0 HA ASP A 31 3.181 -9.189 4.424 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.331 -8.554 1.494 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.069 -7.447 2.635 1.00 0.00 H new ATOM 452 N LEU A 32 1.056 -7.192 2.768 1.00 0.00 N ATOM 453 CA LEU A 32 0.248 -5.980 2.775 1.00 0.00 C ATOM 454 C LEU A 32 -0.723 -6.012 3.946 1.00 0.00 C ATOM 455 O LEU A 32 -0.778 -5.069 4.730 1.00 0.00 O ATOM 456 CB LEU A 32 -0.509 -5.849 1.438 1.00 0.00 C ATOM 457 CG LEU A 32 -0.715 -4.399 0.969 1.00 0.00 C ATOM 458 CD1 LEU A 32 -1.492 -3.510 1.946 1.00 0.00 C ATOM 459 CD2 LEU A 32 0.643 -3.774 0.636 1.00 0.00 C ATOM 0 H LEU A 32 0.939 -7.746 1.920 1.00 0.00 H new ATOM 0 HA LEU A 32 0.897 -5.112 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.039 -6.393 0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.483 -6.329 1.536 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.344 -4.454 0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.587 -2.507 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.484 -3.930 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.958 -3.459 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.499 -2.746 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.275 -3.783 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.123 -4.348 -0.157 1.00 0.00 H new ATOM 471 N ALA A 33 -1.455 -7.118 4.067 1.00 0.00 N ATOM 472 CA ALA A 33 -2.375 -7.393 5.151 1.00 0.00 C ATOM 473 C ALA A 33 -1.694 -7.147 6.496 1.00 0.00 C ATOM 474 O ALA A 33 -2.179 -6.350 7.291 1.00 0.00 O ATOM 475 CB ALA A 33 -2.862 -8.829 4.974 1.00 0.00 C ATOM 0 H ALA A 33 -1.416 -7.872 3.381 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.237 -6.726 5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.560 -9.078 5.773 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.363 -8.927 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.011 -9.509 5.011 1.00 0.00 H new ATOM 481 N THR A 34 -0.525 -7.743 6.728 1.00 0.00 N ATOM 482 CA THR A 34 0.278 -7.519 7.925 1.00 0.00 C ATOM 483 C THR A 34 0.660 -6.042 8.107 1.00 0.00 C ATOM 484 O THR A 34 0.525 -5.519 9.215 1.00 0.00 O ATOM 485 CB THR A 34 1.494 -8.453 7.848 1.00 0.00 C ATOM 486 OG1 THR A 34 1.024 -9.774 8.068 1.00 0.00 O ATOM 487 CG2 THR A 34 2.596 -8.092 8.843 1.00 0.00 C ATOM 0 H THR A 34 -0.104 -8.406 6.077 1.00 0.00 H new ATOM 0 HA THR A 34 -0.303 -7.755 8.817 1.00 0.00 H new ATOM 0 HB THR A 34 1.955 -8.354 6.865 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.773 -10.179 7.212 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.426 -8.791 8.736 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.947 -7.079 8.646 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.203 -8.148 9.858 1.00 0.00 H new ATOM 495 N LYS A 35 1.096 -5.340 7.053 1.00 0.00 N ATOM 496 CA LYS A 35 1.410 -3.907 7.101 1.00 0.00 C ATOM 497 C LYS A 35 0.206 -3.049 7.509 1.00 0.00 C ATOM 498 O LYS A 35 0.394 -1.890 7.887 1.00 0.00 O ATOM 499 CB LYS A 35 1.953 -3.456 5.735 1.00 0.00 C ATOM 500 CG LYS A 35 3.486 -3.499 5.654 1.00 0.00 C ATOM 501 CD LYS A 35 3.950 -3.399 4.191 1.00 0.00 C ATOM 502 CE LYS A 35 5.429 -3.016 4.017 1.00 0.00 C ATOM 503 NZ LYS A 35 6.353 -3.873 4.789 1.00 0.00 N ATOM 0 H LYS A 35 1.242 -5.756 6.133 1.00 0.00 H new ATOM 0 HA LYS A 35 2.168 -3.762 7.870 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.536 -4.094 4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.612 -2.441 5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.910 -2.679 6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.854 -4.425 6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.776 -4.357 3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.334 -2.661 3.677 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.689 -3.074 2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.566 -1.979 4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.335 -3.606 4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.174 -3.749 5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.201 -4.869 4.530 1.00 0.00 H new ATOM 517 N ILE A 36 -1.013 -3.585 7.450 1.00 0.00 N ATOM 518 CA ILE A 36 -2.229 -2.940 7.927 1.00 0.00 C ATOM 519 C ILE A 36 -2.889 -3.733 9.068 1.00 0.00 C ATOM 520 O ILE A 36 -3.992 -3.399 9.485 1.00 0.00 O ATOM 521 CB ILE A 36 -3.156 -2.611 6.739 1.00 0.00 C ATOM 522 CG1 ILE A 36 -3.818 -3.840 6.087 1.00 0.00 C ATOM 523 CG2 ILE A 36 -2.412 -1.789 5.666 1.00 0.00 C ATOM 524 CD1 ILE A 36 -4.975 -3.401 5.193 1.00 0.00 C ATOM 0 H ILE A 36 -1.183 -4.510 7.056 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.978 -1.983 8.384 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.964 -2.020 7.170 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.083 -4.390 5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.182 -4.519 6.858 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.089 -1.571 4.840 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.060 -0.854 6.103 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.560 -2.360 5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.436 -4.278 4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.716 -2.871 5.791 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.600 -2.740 4.411 1.00 0.00 H new ATOM 536 N ASN A 37 -2.213 -4.758 9.592 1.00 0.00 N ATOM 537 CA ASN A 37 -2.660 -5.728 10.599 1.00 0.00 C ATOM 538 C ASN A 37 -3.955 -6.484 10.264 1.00 0.00 C ATOM 539 O ASN A 37 -4.459 -7.243 11.091 1.00 0.00 O ATOM 540 CB ASN A 37 -2.756 -5.050 11.968 1.00 0.00 C ATOM 541 CG ASN A 37 -2.591 -6.050 13.100 1.00 0.00 C ATOM 542 OD1 ASN A 37 -1.468 -6.439 13.404 1.00 0.00 O ATOM 543 ND2 ASN A 37 -3.657 -6.420 13.789 1.00 0.00 N ATOM 0 H ASN A 37 -1.255 -4.949 9.298 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.896 -6.505 10.611 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.989 -4.280 12.048 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.720 -4.551 12.061 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.555 -7.041 14.592 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.581 -6.084 13.518 1.00 0.00 H new ATOM 550 N GLU A 38 -4.497 -6.323 9.064 1.00 0.00 N ATOM 551 CA GLU A 38 -5.806 -6.828 8.675 1.00 0.00 C ATOM 552 C GLU A 38 -5.627 -8.089 7.820 1.00 0.00 C ATOM 553 O GLU A 38 -4.545 -8.684 7.822 1.00 0.00 O ATOM 554 CB GLU A 38 -6.624 -5.693 8.031 1.00 0.00 C ATOM 555 CG GLU A 38 -8.037 -5.563 8.599 1.00 0.00 C ATOM 556 CD GLU A 38 -8.036 -5.140 10.077 1.00 0.00 C ATOM 557 OE1 GLU A 38 -8.023 -6.034 10.961 1.00 0.00 O ATOM 558 OE2 GLU A 38 -8.091 -3.924 10.348 1.00 0.00 O ATOM 0 H GLU A 38 -4.023 -5.822 8.312 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.395 -7.146 9.535 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.096 -4.750 8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.687 -5.866 6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.595 -4.831 8.015 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.556 -6.516 8.497 1.00 0.00 H new ATOM 565 N LYS A 39 -6.696 -8.613 7.204 1.00 0.00 N ATOM 566 CA LYS A 39 -6.672 -9.936 6.577 1.00 0.00 C ATOM 567 C LYS A 39 -6.389 -9.890 5.074 1.00 0.00 C ATOM 568 O LYS A 39 -6.928 -9.036 4.370 1.00 0.00 O ATOM 569 CB LYS A 39 -8.007 -10.637 6.841 1.00 0.00 C ATOM 570 CG LYS A 39 -8.322 -10.776 8.341 1.00 0.00 C ATOM 571 CD LYS A 39 -7.242 -11.558 9.106 1.00 0.00 C ATOM 572 CE LYS A 39 -7.560 -11.628 10.598 1.00 0.00 C ATOM 573 NZ LYS A 39 -6.368 -12.029 11.364 1.00 0.00 N ATOM 0 H LYS A 39 -7.593 -8.134 7.128 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.848 -10.493 7.024 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.808 -10.078 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.989 -11.627 6.385 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.425 -9.783 8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.282 -11.279 8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.165 -12.567 8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.273 -11.081 8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.913 -10.657 10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.366 -12.341 10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.604 -12.071 12.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.048 -12.965 11.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.609 -11.334 11.214 1.00 0.00 H new ATOM 587 N PRO A 40 -5.608 -10.834 4.533 1.00 0.00 N ATOM 588 CA PRO A 40 -5.242 -10.854 3.124 1.00 0.00 C ATOM 589 C PRO A 40 -6.436 -11.148 2.210 1.00 0.00 C ATOM 590 O PRO A 40 -6.404 -10.740 1.049 1.00 0.00 O ATOM 591 CB PRO A 40 -4.110 -11.877 3.025 1.00 0.00 C ATOM 592 CG PRO A 40 -4.425 -12.845 4.165 1.00 0.00 C ATOM 593 CD PRO A 40 -4.962 -11.919 5.242 1.00 0.00 C ATOM 0 HA PRO A 40 -4.908 -9.878 2.771 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.103 -12.380 2.058 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.132 -11.411 3.149 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.160 -13.594 3.870 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.537 -13.383 4.498 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.667 -12.439 5.891 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.158 -11.549 5.878 1.00 0.00 H new ATOM 601 N GLN A 41 -7.518 -11.752 2.722 1.00 0.00 N ATOM 602 CA GLN A 41 -8.784 -11.820 2.000 1.00 0.00 C ATOM 603 C GLN A 41 -9.275 -10.416 1.635 1.00 0.00 C ATOM 604 O GLN A 41 -9.716 -10.240 0.497 1.00 0.00 O ATOM 605 CB GLN A 41 -9.833 -12.610 2.804 1.00 0.00 C ATOM 606 CG GLN A 41 -11.247 -12.633 2.188 1.00 0.00 C ATOM 607 CD GLN A 41 -11.341 -13.313 0.817 1.00 0.00 C ATOM 608 OE1 GLN A 41 -11.647 -14.503 0.710 1.00 0.00 O ATOM 609 NE2 GLN A 41 -11.114 -12.589 -0.264 1.00 0.00 N ATOM 0 H GLN A 41 -7.535 -12.200 3.638 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.623 -12.360 1.067 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.485 -13.637 2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.897 -12.185 3.806 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.920 -13.143 2.877 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.604 -11.607 2.094 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.861 -11.605 -0.175 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.192 -13.014 -1.188 1.00 0.00 H new ATOM 618 N VAL A 42 -9.218 -9.426 2.540 1.00 0.00 N ATOM 619 CA VAL A 42 -9.690 -8.099 2.159 1.00 0.00 C ATOM 620 C VAL A 42 -8.768 -7.504 1.096 1.00 0.00 C ATOM 621 O VAL A 42 -9.279 -6.888 0.172 1.00 0.00 O ATOM 622 CB VAL A 42 -10.032 -7.154 3.335 1.00 0.00 C ATOM 623 CG1 VAL A 42 -11.007 -7.842 4.299 1.00 0.00 C ATOM 624 CG2 VAL A 42 -8.866 -6.570 4.145 1.00 0.00 C ATOM 0 H VAL A 42 -8.867 -9.516 3.494 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.673 -8.226 1.706 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.470 -6.292 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.241 -7.168 5.123 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.924 -8.098 3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.550 -8.750 4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.257 -5.928 4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.289 -7.381 4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.223 -5.986 3.487 1.00 0.00 H new ATOM 634 N ILE A 43 -7.449 -7.742 1.148 1.00 0.00 N ATOM 635 CA ILE A 43 -6.520 -7.240 0.124 1.00 0.00 C ATOM 636 C ILE A 43 -6.914 -7.788 -1.253 1.00 0.00 C ATOM 637 O ILE A 43 -7.036 -7.030 -2.219 1.00 0.00 O ATOM 638 CB ILE A 43 -5.044 -7.560 0.470 1.00 0.00 C ATOM 639 CG1 ILE A 43 -4.636 -7.097 1.880 1.00 0.00 C ATOM 640 CG2 ILE A 43 -4.075 -6.968 -0.571 1.00 0.00 C ATOM 641 CD1 ILE A 43 -4.842 -5.604 2.165 1.00 0.00 C ATOM 0 H ILE A 43 -7.001 -8.280 1.890 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.597 -6.153 0.098 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.973 -8.647 0.449 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.204 -7.671 2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.584 -7.337 2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.050 -7.213 -0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.296 -7.386 -1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.193 -5.885 -0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.524 -5.381 3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.252 -5.015 1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.897 -5.354 2.051 1.00 0.00 H new ATOM 653 N ALA A 44 -7.136 -9.103 -1.339 1.00 0.00 N ATOM 654 CA ALA A 44 -7.530 -9.746 -2.584 1.00 0.00 C ATOM 655 C ALA A 44 -8.818 -9.139 -3.152 1.00 0.00 C ATOM 656 O ALA A 44 -8.952 -9.005 -4.375 1.00 0.00 O ATOM 657 CB ALA A 44 -7.679 -11.256 -2.365 1.00 0.00 C ATOM 0 H ALA A 44 -7.047 -9.743 -0.550 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.746 -9.573 -3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.974 -11.732 -3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.728 -11.671 -2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.441 -11.440 -1.608 1.00 0.00 H new ATOM 663 N ASP A 45 -9.742 -8.771 -2.266 1.00 0.00 N ATOM 664 CA ASP A 45 -11.042 -8.195 -2.582 1.00 0.00 C ATOM 665 C ASP A 45 -10.929 -6.724 -2.988 1.00 0.00 C ATOM 666 O ASP A 45 -11.594 -6.312 -3.936 1.00 0.00 O ATOM 667 CB ASP A 45 -11.973 -8.325 -1.371 1.00 0.00 C ATOM 668 CG ASP A 45 -13.001 -9.448 -1.482 1.00 0.00 C ATOM 669 OD1 ASP A 45 -12.765 -10.461 -2.178 1.00 0.00 O ATOM 670 OD2 ASP A 45 -14.048 -9.307 -0.814 1.00 0.00 O ATOM 0 H ASP A 45 -9.595 -8.872 -1.262 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.452 -8.745 -3.429 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.368 -8.490 -0.479 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.499 -7.381 -1.229 1.00 0.00 H new ATOM 675 N TYR A 46 -10.102 -5.926 -2.307 1.00 0.00 N ATOM 676 CA TYR A 46 -9.813 -4.529 -2.642 1.00 0.00 C ATOM 677 C TYR A 46 -9.256 -4.468 -4.068 1.00 0.00 C ATOM 678 O TYR A 46 -9.706 -3.656 -4.879 1.00 0.00 O ATOM 679 CB TYR A 46 -8.788 -3.944 -1.648 1.00 0.00 C ATOM 680 CG TYR A 46 -9.321 -3.088 -0.504 1.00 0.00 C ATOM 681 CD1 TYR A 46 -9.485 -1.698 -0.667 1.00 0.00 C ATOM 682 CD2 TYR A 46 -9.551 -3.655 0.763 1.00 0.00 C ATOM 683 CE1 TYR A 46 -9.906 -0.894 0.412 1.00 0.00 C ATOM 684 CE2 TYR A 46 -10.001 -2.871 1.837 1.00 0.00 C ATOM 685 CZ TYR A 46 -10.208 -1.486 1.658 1.00 0.00 C ATOM 686 OH TYR A 46 -10.709 -0.724 2.668 1.00 0.00 O ATOM 0 H TYR A 46 -9.598 -6.245 -1.480 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.728 -3.940 -2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.230 -4.774 -1.214 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.077 -3.342 -2.214 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.286 -1.245 -1.627 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.379 -4.711 0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.998 0.175 0.286 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -10.188 -3.326 2.798 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.863 -1.286 3.456 1.00 0.00 H new ATOM 696 N GLU A 47 -8.311 -5.356 -4.392 1.00 0.00 N ATOM 697 CA GLU A 47 -7.755 -5.486 -5.735 1.00 0.00 C ATOM 698 C GLU A 47 -8.853 -5.718 -6.773 1.00 0.00 C ATOM 699 O GLU A 47 -8.795 -5.144 -7.862 1.00 0.00 O ATOM 700 CB GLU A 47 -6.734 -6.619 -5.775 1.00 0.00 C ATOM 701 CG GLU A 47 -5.373 -6.196 -5.213 1.00 0.00 C ATOM 702 CD GLU A 47 -4.478 -7.416 -5.042 1.00 0.00 C ATOM 703 OE1 GLU A 47 -4.528 -8.345 -5.884 1.00 0.00 O ATOM 704 OE2 GLU A 47 -3.717 -7.510 -4.062 1.00 0.00 O ATOM 0 H GLU A 47 -7.909 -6.010 -3.720 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.255 -4.550 -5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.113 -7.467 -5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.610 -6.957 -6.804 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.900 -5.479 -5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.506 -5.695 -4.254 1.00 0.00 H new ATOM 711 N SER A 48 -9.881 -6.501 -6.432 1.00 0.00 N ATOM 712 CA SER A 48 -10.977 -6.808 -7.340 1.00 0.00 C ATOM 713 C SER A 48 -12.177 -5.871 -7.203 1.00 0.00 C ATOM 714 O SER A 48 -13.174 -6.077 -7.898 1.00 0.00 O ATOM 715 CB SER A 48 -11.428 -8.261 -7.206 1.00 0.00 C ATOM 716 OG SER A 48 -11.242 -8.847 -5.927 1.00 0.00 O ATOM 0 H SER A 48 -9.972 -6.938 -5.515 1.00 0.00 H new ATOM 0 HA SER A 48 -10.569 -6.649 -8.338 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.486 -8.319 -7.462 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.889 -8.859 -7.941 1.00 0.00 H new ATOM 0 HG SER A 48 -10.286 -8.866 -5.712 1.00 0.00 H new ATOM 722 N GLY A 49 -12.140 -4.852 -6.342 1.00 0.00 N ATOM 723 CA GLY A 49 -13.235 -3.893 -6.304 1.00 0.00 C ATOM 724 C GLY A 49 -14.414 -4.366 -5.457 1.00 0.00 C ATOM 725 O GLY A 49 -15.526 -3.853 -5.599 1.00 0.00 O ATOM 0 H GLY A 49 -11.384 -4.675 -5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.868 -2.946 -5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.579 -3.702 -7.321 1.00 0.00 H new ATOM 729 N ARG A 50 -14.200 -5.415 -4.666 1.00 0.00 N ATOM 730 CA ARG A 50 -15.221 -6.151 -3.940 1.00 0.00 C ATOM 731 C ARG A 50 -15.424 -5.472 -2.590 1.00 0.00 C ATOM 732 O ARG A 50 -16.539 -5.048 -2.290 1.00 0.00 O ATOM 733 CB ARG A 50 -14.760 -7.609 -3.770 1.00 0.00 C ATOM 734 CG ARG A 50 -14.422 -8.356 -5.071 1.00 0.00 C ATOM 735 CD ARG A 50 -15.611 -9.121 -5.649 1.00 0.00 C ATOM 736 NE ARG A 50 -15.249 -9.824 -6.892 1.00 0.00 N ATOM 737 CZ ARG A 50 -16.028 -10.684 -7.556 1.00 0.00 C ATOM 738 NH1 ARG A 50 -17.220 -11.034 -7.097 1.00 0.00 N ATOM 739 NH2 ARG A 50 -15.591 -11.211 -8.690 1.00 0.00 N ATOM 0 H ARG A 50 -13.264 -5.789 -4.509 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.168 -6.156 -4.480 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.880 -7.620 -3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -15.543 -8.160 -3.249 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.064 -7.641 -5.811 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.606 -9.054 -4.881 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.973 -9.841 -4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.429 -8.428 -5.847 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.324 -9.639 -7.280 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.562 -10.645 -6.218 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -17.796 -11.692 -7.622 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.669 -10.959 -9.047 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.176 -11.868 -9.206 1.00 0.00 H new ATOM 753 N ALA A 51 -14.350 -5.355 -1.801 1.00 0.00 N ATOM 754 CA ALA A 51 -14.389 -4.789 -0.459 1.00 0.00 C ATOM 755 C ALA A 51 -14.920 -3.361 -0.507 1.00 0.00 C ATOM 756 O ALA A 51 -14.555 -2.613 -1.416 1.00 0.00 O ATOM 757 CB ALA A 51 -12.980 -4.776 0.150 1.00 0.00 C ATOM 0 H ALA A 51 -13.418 -5.657 -2.086 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.047 -5.404 0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.021 -4.351 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.597 -5.795 0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.320 -4.173 -0.473 1.00 0.00 H new ATOM 763 N ILE A 52 -15.711 -2.963 0.491 1.00 0.00 N ATOM 764 CA ILE A 52 -16.064 -1.563 0.673 1.00 0.00 C ATOM 765 C ILE A 52 -14.790 -0.830 1.121 1.00 0.00 C ATOM 766 O ILE A 52 -14.244 -1.168 2.176 1.00 0.00 O ATOM 767 CB ILE A 52 -17.247 -1.394 1.640 1.00 0.00 C ATOM 768 CG1 ILE A 52 -18.476 -2.017 0.940 1.00 0.00 C ATOM 769 CG2 ILE A 52 -17.452 0.106 1.937 1.00 0.00 C ATOM 770 CD1 ILE A 52 -19.819 -1.634 1.547 1.00 0.00 C ATOM 0 H ILE A 52 -16.117 -3.593 1.183 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.418 -1.123 -0.259 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.077 -1.888 2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -18.469 -1.719 -0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -18.379 -3.102 0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.290 0.230 2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -16.549 0.514 2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -17.662 0.636 1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -20.621 -2.118 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.853 -1.957 2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.945 -0.552 1.498 1.00 0.00 H new ATOM 782 N PRO A 53 -14.306 0.165 0.360 1.00 0.00 N ATOM 783 CA PRO A 53 -13.136 0.930 0.740 1.00 0.00 C ATOM 784 C PRO A 53 -13.500 1.862 1.902 1.00 0.00 C ATOM 785 O PRO A 53 -14.544 2.525 1.872 1.00 0.00 O ATOM 786 CB PRO A 53 -12.710 1.663 -0.534 1.00 0.00 C ATOM 787 CG PRO A 53 -14.000 1.824 -1.336 1.00 0.00 C ATOM 788 CD PRO A 53 -14.895 0.677 -0.867 1.00 0.00 C ATOM 0 HA PRO A 53 -12.306 0.325 1.105 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.263 2.630 -0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.966 1.092 -1.090 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -14.465 2.792 -1.148 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.810 1.765 -2.408 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.913 1.026 -0.692 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.952 -0.104 -1.625 1.00 0.00 H new ATOM 796 N ASN A 54 -12.641 1.935 2.924 1.00 0.00 N ATOM 797 CA ASN A 54 -12.832 2.794 4.095 1.00 0.00 C ATOM 798 C ASN A 54 -11.532 3.526 4.394 1.00 0.00 C ATOM 799 O ASN A 54 -10.494 2.873 4.467 1.00 0.00 O ATOM 800 CB ASN A 54 -13.241 1.959 5.324 1.00 0.00 C ATOM 801 CG ASN A 54 -13.478 2.822 6.569 1.00 0.00 C ATOM 802 OD1 ASN A 54 -13.722 4.026 6.479 1.00 0.00 O ATOM 803 ND2 ASN A 54 -13.397 2.251 7.757 1.00 0.00 N ATOM 0 H ASN A 54 -11.780 1.390 2.960 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.626 3.509 3.880 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.149 1.402 5.094 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.462 1.226 5.537 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.537 2.807 8.601 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.195 1.254 7.831 1.00 0.00 H new ATOM 810 N ASN A 55 -11.594 4.843 4.624 1.00 0.00 N ATOM 811 CA ASN A 55 -10.478 5.721 4.994 1.00 0.00 C ATOM 812 C ASN A 55 -9.536 5.069 5.992 1.00 0.00 C ATOM 813 O ASN A 55 -8.326 5.125 5.806 1.00 0.00 O ATOM 814 CB ASN A 55 -10.977 7.010 5.656 1.00 0.00 C ATOM 815 CG ASN A 55 -11.700 7.945 4.715 1.00 0.00 C ATOM 816 OD1 ASN A 55 -11.180 8.317 3.666 1.00 0.00 O ATOM 817 ND2 ASN A 55 -12.904 8.337 5.073 1.00 0.00 N ATOM 0 H ASN A 55 -12.474 5.353 4.553 1.00 0.00 H new ATOM 0 HA ASN A 55 -9.957 5.929 4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.645 6.749 6.477 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.127 7.535 6.091 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.434 8.968 4.473 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -13.307 8.009 5.951 1.00 0.00 H new ATOM 824 N GLN A 56 -10.088 4.446 7.040 1.00 0.00 N ATOM 825 CA GLN A 56 -9.311 3.812 8.095 1.00 0.00 C ATOM 826 C GLN A 56 -8.265 2.865 7.517 1.00 0.00 C ATOM 827 O GLN A 56 -7.103 2.930 7.914 1.00 0.00 O ATOM 828 CB GLN A 56 -10.264 3.074 9.047 1.00 0.00 C ATOM 829 CG GLN A 56 -9.569 2.573 10.326 1.00 0.00 C ATOM 830 CD GLN A 56 -10.185 3.157 11.594 1.00 0.00 C ATOM 831 OE1 GLN A 56 -10.572 2.438 12.506 1.00 0.00 O ATOM 832 NE2 GLN A 56 -10.261 4.474 11.716 1.00 0.00 N ATOM 0 H GLN A 56 -11.096 4.371 7.175 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.772 4.578 8.652 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.082 3.740 9.322 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.706 2.226 8.524 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.628 1.485 10.365 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.511 2.834 10.287 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.939 5.076 10.958 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.641 4.886 12.568 1.00 0.00 H new ATOM 841 N VAL A 57 -8.690 2.000 6.599 1.00 0.00 N ATOM 842 CA VAL A 57 -7.880 0.995 5.942 1.00 0.00 C ATOM 843 C VAL A 57 -7.077 1.667 4.826 1.00 0.00 C ATOM 844 O VAL A 57 -5.866 1.472 4.772 1.00 0.00 O ATOM 845 CB VAL A 57 -8.826 -0.110 5.422 1.00 0.00 C ATOM 846 CG1 VAL A 57 -8.037 -1.216 4.722 1.00 0.00 C ATOM 847 CG2 VAL A 57 -9.630 -0.750 6.569 1.00 0.00 C ATOM 0 H VAL A 57 -9.659 1.986 6.282 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.163 0.532 6.620 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.509 0.368 4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.724 -1.983 4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.492 -0.795 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.332 -1.660 5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.285 -1.523 6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.944 -1.194 7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.231 0.014 7.063 1.00 0.00 H new ATOM 857 N LEU A 58 -7.698 2.487 3.969 1.00 0.00 N ATOM 858 CA LEU A 58 -7.015 3.219 2.898 1.00 0.00 C ATOM 859 C LEU A 58 -5.792 3.980 3.421 1.00 0.00 C ATOM 860 O LEU A 58 -4.764 4.014 2.751 1.00 0.00 O ATOM 861 CB LEU A 58 -7.966 4.214 2.212 1.00 0.00 C ATOM 862 CG LEU A 58 -9.117 3.587 1.401 1.00 0.00 C ATOM 863 CD1 LEU A 58 -10.105 4.697 1.032 1.00 0.00 C ATOM 864 CD2 LEU A 58 -8.621 2.905 0.121 1.00 0.00 C ATOM 0 H LEU A 58 -8.702 2.662 4.001 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.684 2.474 2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.395 4.863 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.380 4.848 1.546 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.591 2.821 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.929 4.274 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.495 5.154 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.596 5.453 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.468 2.479 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.122 3.639 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.919 2.112 0.380 1.00 0.00 H new ATOM 876 N GLY A 59 -5.865 4.599 4.601 1.00 0.00 N ATOM 877 CA GLY A 59 -4.756 5.342 5.190 1.00 0.00 C ATOM 878 C GLY A 59 -3.612 4.432 5.629 1.00 0.00 C ATOM 879 O GLY A 59 -2.454 4.858 5.637 1.00 0.00 O ATOM 0 H GLY A 59 -6.706 4.597 5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.383 6.066 4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.117 5.907 6.049 1.00 0.00 H new ATOM 883 N LYS A 60 -3.918 3.185 5.991 1.00 0.00 N ATOM 884 CA LYS A 60 -2.941 2.149 6.298 1.00 0.00 C ATOM 885 C LYS A 60 -2.309 1.686 4.988 1.00 0.00 C ATOM 886 O LYS A 60 -1.086 1.626 4.892 1.00 0.00 O ATOM 887 CB LYS A 60 -3.620 1.010 7.087 1.00 0.00 C ATOM 888 CG LYS A 60 -4.294 1.489 8.383 1.00 0.00 C ATOM 889 CD LYS A 60 -5.400 0.576 8.902 1.00 0.00 C ATOM 890 CE LYS A 60 -4.974 -0.723 9.543 1.00 0.00 C ATOM 891 NZ LYS A 60 -4.578 -0.596 10.965 1.00 0.00 N ATOM 0 H LYS A 60 -4.882 2.863 6.080 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.143 2.527 6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.366 0.532 6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.876 0.252 7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.533 1.590 9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.711 2.482 8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.987 1.136 9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.063 0.341 8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.793 -1.438 9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.137 -1.136 8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.300 -1.528 11.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.776 0.061 11.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.380 -0.232 11.518 1.00 0.00 H new ATOM 905 N ILE A 61 -3.120 1.405 3.962 1.00 0.00 N ATOM 906 CA ILE A 61 -2.646 0.976 2.647 1.00 0.00 C ATOM 907 C ILE A 61 -1.704 2.026 2.053 1.00 0.00 C ATOM 908 O ILE A 61 -0.705 1.648 1.441 1.00 0.00 O ATOM 909 CB ILE A 61 -3.816 0.645 1.694 1.00 0.00 C ATOM 910 CG1 ILE A 61 -4.620 -0.561 2.222 1.00 0.00 C ATOM 911 CG2 ILE A 61 -3.321 0.320 0.265 1.00 0.00 C ATOM 912 CD1 ILE A 61 -5.836 -0.865 1.348 1.00 0.00 C ATOM 0 H ILE A 61 -4.136 1.471 4.025 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.083 0.051 2.775 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.450 1.531 1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.974 -1.438 2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.948 -0.360 3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.175 0.093 -0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.785 1.179 -0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.654 -0.541 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.373 -1.721 1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.496 0.002 1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.507 -1.093 0.334 1.00 0.00 H new ATOM 924 N GLU A 62 -1.981 3.325 2.215 1.00 0.00 N ATOM 925 CA GLU A 62 -1.090 4.317 1.615 1.00 0.00 C ATOM 926 C GLU A 62 0.317 4.179 2.171 1.00 0.00 C ATOM 927 O GLU A 62 1.270 4.213 1.405 1.00 0.00 O ATOM 928 CB GLU A 62 -1.536 5.773 1.834 1.00 0.00 C ATOM 929 CG GLU A 62 -2.705 6.145 0.942 1.00 0.00 C ATOM 930 CD GLU A 62 -3.172 7.591 1.003 1.00 0.00 C ATOM 931 OE1 GLU A 62 -2.588 8.419 1.730 1.00 0.00 O ATOM 932 OE2 GLU A 62 -4.209 7.844 0.345 1.00 0.00 O ATOM 0 H GLU A 62 -2.777 3.699 2.732 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.121 4.111 0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.816 5.914 2.878 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.700 6.443 1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.433 5.917 -0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.548 5.503 1.199 1.00 0.00 H new ATOM 939 N ARG A 63 0.475 3.978 3.483 1.00 0.00 N ATOM 940 CA ARG A 63 1.800 3.721 4.043 1.00 0.00 C ATOM 941 C ARG A 63 2.354 2.384 3.571 1.00 0.00 C ATOM 942 O ARG A 63 3.553 2.296 3.287 1.00 0.00 O ATOM 943 CB ARG A 63 1.774 3.795 5.570 1.00 0.00 C ATOM 944 CG ARG A 63 1.560 5.239 6.040 1.00 0.00 C ATOM 945 CD ARG A 63 1.911 5.337 7.522 1.00 0.00 C ATOM 946 NE ARG A 63 1.947 6.716 8.017 1.00 0.00 N ATOM 947 CZ ARG A 63 2.462 7.072 9.199 1.00 0.00 C ATOM 948 NH1 ARG A 63 2.892 6.157 10.070 1.00 0.00 N ATOM 949 NH2 ARG A 63 2.535 8.365 9.484 1.00 0.00 N ATOM 0 H ARG A 63 -0.284 3.988 4.164 1.00 0.00 H new ATOM 0 HA ARG A 63 2.468 4.501 3.679 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.977 3.160 5.956 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.711 3.411 5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.183 5.920 5.460 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.524 5.538 5.878 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.182 4.769 8.100 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.882 4.872 7.690 1.00 0.00 H new ATOM 0 HE ARG A 63 1.556 7.448 7.424 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.831 5.165 9.840 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.282 6.449 10.966 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.204 9.055 8.810 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.923 8.669 10.377 1.00 0.00 H new ATOM 963 N ALA A 64 1.477 1.388 3.444 1.00 0.00 N ATOM 964 CA ALA A 64 1.788 0.024 3.068 1.00 0.00 C ATOM 965 C ALA A 64 2.558 -0.044 1.744 1.00 0.00 C ATOM 966 O ALA A 64 3.447 -0.888 1.624 1.00 0.00 O ATOM 967 CB ALA A 64 0.492 -0.796 2.995 1.00 0.00 C ATOM 0 H ALA A 64 0.480 1.527 3.611 1.00 0.00 H new ATOM 0 HA ALA A 64 2.440 -0.401 3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.726 -1.822 2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.003 -0.791 3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.174 -0.358 2.252 1.00 0.00 H new ATOM 973 N ILE A 65 2.258 0.828 0.773 1.00 0.00 N ATOM 974 CA ILE A 65 2.979 0.902 -0.505 1.00 0.00 C ATOM 975 C ILE A 65 3.761 2.219 -0.651 1.00 0.00 C ATOM 976 O ILE A 65 4.703 2.282 -1.430 1.00 0.00 O ATOM 977 CB ILE A 65 2.018 0.636 -1.687 1.00 0.00 C ATOM 978 CG1 ILE A 65 1.002 1.779 -1.892 1.00 0.00 C ATOM 979 CG2 ILE A 65 1.308 -0.717 -1.488 1.00 0.00 C ATOM 980 CD1 ILE A 65 0.082 1.568 -3.095 1.00 0.00 C ATOM 0 H ILE A 65 1.502 1.508 0.853 1.00 0.00 H new ATOM 0 HA ILE A 65 3.731 0.113 -0.518 1.00 0.00 H new ATOM 0 HB ILE A 65 2.614 0.594 -2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.394 1.880 -0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.543 2.717 -2.018 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.632 -0.900 -2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.050 -1.514 -1.441 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.739 -0.696 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.606 2.409 -3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.681 1.497 -4.003 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.486 0.647 -2.962 1.00 0.00 H new ATOM 992 N GLY A 66 3.433 3.260 0.114 1.00 0.00 N ATOM 993 CA GLY A 66 4.036 4.588 0.043 1.00 0.00 C ATOM 994 C GLY A 66 3.573 5.389 -1.165 1.00 0.00 C ATOM 995 O GLY A 66 4.311 6.253 -1.643 1.00 0.00 O ATOM 0 H GLY A 66 2.709 3.197 0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.794 5.139 0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.121 4.487 0.011 1.00 0.00 H new ATOM 999 N LEU A 67 2.346 5.157 -1.633 1.00 0.00 N ATOM 1000 CA LEU A 67 1.703 5.918 -2.696 1.00 0.00 C ATOM 1001 C LEU A 67 0.290 6.276 -2.242 1.00 0.00 C ATOM 1002 O LEU A 67 -0.232 5.669 -1.310 1.00 0.00 O ATOM 1003 CB LEU A 67 1.664 5.126 -4.017 1.00 0.00 C ATOM 1004 CG LEU A 67 2.990 4.509 -4.517 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.678 3.580 -5.692 1.00 0.00 C ATOM 1006 CD2 LEU A 67 4.033 5.541 -4.973 1.00 0.00 C ATOM 0 H LEU A 67 1.756 4.409 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 67 2.278 6.824 -2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.939 4.320 -3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.286 5.789 -4.796 1.00 0.00 H new ATOM 0 HG LEU A 67 3.427 3.980 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.603 3.135 -6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.001 2.792 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.208 4.151 -6.492 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.933 5.025 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.626 6.131 -5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.281 6.200 -4.141 1.00 0.00 H new ATOM 1018 N LYS A 68 -0.324 7.270 -2.883 1.00 0.00 N ATOM 1019 CA LYS A 68 -1.674 7.749 -2.608 1.00 0.00 C ATOM 1020 C LYS A 68 -2.681 6.716 -3.078 1.00 0.00 C ATOM 1021 O LYS A 68 -2.517 6.165 -4.167 1.00 0.00 O ATOM 1022 CB LYS A 68 -1.900 9.077 -3.351 1.00 0.00 C ATOM 1023 CG LYS A 68 -1.226 10.233 -2.604 1.00 0.00 C ATOM 1024 CD LYS A 68 -1.469 11.585 -3.279 1.00 0.00 C ATOM 1025 CE LYS A 68 -0.776 12.651 -2.425 1.00 0.00 C ATOM 1026 NZ LYS A 68 -0.845 13.999 -3.024 1.00 0.00 N ATOM 0 H LYS A 68 0.127 7.784 -3.640 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.799 7.908 -1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.499 9.007 -4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.969 9.271 -3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.601 10.268 -1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.154 10.047 -2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.070 11.586 -4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.537 11.789 -3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.236 12.674 -1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.269 12.374 -2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.361 14.679 -2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.383 13.989 -3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.840 14.279 -3.135 1.00 0.00 H new ATOM 1040 N LEU A 69 -3.756 6.518 -2.312 1.00 0.00 N ATOM 1041 CA LEU A 69 -4.881 5.639 -2.630 1.00 0.00 C ATOM 1042 C LEU A 69 -6.154 6.475 -2.789 1.00 0.00 C ATOM 1043 O LEU A 69 -7.220 5.934 -3.094 1.00 0.00 O ATOM 1044 CB LEU A 69 -5.034 4.575 -1.531 1.00 0.00 C ATOM 1045 CG LEU A 69 -4.137 3.332 -1.677 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.574 2.431 -2.818 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.651 3.559 -1.929 1.00 0.00 C ATOM 0 H LEU A 69 -3.870 6.987 -1.414 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.697 5.122 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.824 5.041 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.074 4.249 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.263 2.895 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.908 1.570 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.594 2.090 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.534 2.986 -3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.145 2.597 -2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.520 4.117 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.224 4.125 -1.101 1.00 0.00 H new ATOM 1059 N ARG A 70 -6.064 7.796 -2.598 1.00 0.00 N ATOM 1060 CA ARG A 70 -7.172 8.733 -2.646 1.00 0.00 C ATOM 1061 C ARG A 70 -6.763 9.920 -3.504 1.00 0.00 C ATOM 1062 O ARG A 70 -5.636 10.410 -3.387 1.00 0.00 O ATOM 1063 CB ARG A 70 -7.508 9.209 -1.225 1.00 0.00 C ATOM 1064 CG ARG A 70 -7.825 8.062 -0.252 1.00 0.00 C ATOM 1065 CD ARG A 70 -8.562 8.541 1.009 1.00 0.00 C ATOM 1066 NE ARG A 70 -7.651 9.167 1.977 1.00 0.00 N ATOM 1067 CZ ARG A 70 -7.207 10.428 1.974 1.00 0.00 C ATOM 1068 NH1 ARG A 70 -7.680 11.336 1.129 1.00 0.00 N ATOM 1069 NH2 ARG A 70 -6.254 10.779 2.822 1.00 0.00 N ATOM 0 H ARG A 70 -5.174 8.253 -2.398 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.052 8.251 -3.072 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.668 9.784 -0.835 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.363 9.884 -1.269 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.434 7.316 -0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.897 7.571 0.039 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.336 9.254 0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.064 7.695 1.479 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.320 8.573 2.737 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.403 11.079 0.457 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.320 12.290 1.152 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.867 10.091 3.468 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.906 11.738 2.830 1.00 0.00 H new ATOM 1083 N GLY A 71 -7.704 10.433 -4.284 1.00 0.00 N ATOM 1084 CA GLY A 71 -7.515 11.538 -5.203 1.00 0.00 C ATOM 1085 C GLY A 71 -7.201 11.037 -6.605 1.00 0.00 C ATOM 1086 O GLY A 71 -6.875 9.869 -6.824 1.00 0.00 O ATOM 0 H GLY A 71 -8.658 10.073 -4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.414 12.153 -5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.703 12.174 -4.850 1.00 0.00 H new ATOM 1090 N LYS A 72 -7.262 11.941 -7.581 1.00 0.00 N ATOM 1091 CA LYS A 72 -6.837 11.657 -8.951 1.00 0.00 C ATOM 1092 C LYS A 72 -5.314 11.516 -9.046 1.00 0.00 C ATOM 1093 O LYS A 72 -4.801 11.094 -10.080 1.00 0.00 O ATOM 1094 CB LYS A 72 -7.368 12.740 -9.902 1.00 0.00 C ATOM 1095 CG LYS A 72 -6.821 14.134 -9.572 1.00 0.00 C ATOM 1096 CD LYS A 72 -7.127 15.140 -10.683 1.00 0.00 C ATOM 1097 CE LYS A 72 -6.421 16.457 -10.361 1.00 0.00 C ATOM 1098 NZ LYS A 72 -7.029 17.165 -9.215 1.00 0.00 N ATOM 0 H LYS A 72 -7.607 12.891 -7.445 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.261 10.700 -9.254 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.100 12.482 -10.927 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.457 12.760 -9.853 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.256 14.483 -8.635 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.743 14.075 -9.421 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.788 14.755 -11.645 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.202 15.298 -10.764 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.371 16.258 -10.145 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.449 17.103 -11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.567 18.089 -9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.044 17.306 -9.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.904 16.599 -8.351 1.00 0.00 H new ATOM 1112 N ASP A 73 -4.586 11.900 -7.999 1.00 0.00 N ATOM 1113 CA ASP A 73 -3.154 11.701 -7.802 1.00 0.00 C ATOM 1114 C ASP A 73 -2.856 10.294 -7.267 1.00 0.00 C ATOM 1115 O ASP A 73 -1.777 10.063 -6.725 1.00 0.00 O ATOM 1116 CB ASP A 73 -2.610 12.779 -6.845 1.00 0.00 C ATOM 1117 CG ASP A 73 -2.395 14.114 -7.543 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -1.338 14.290 -8.187 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -3.231 15.033 -7.370 1.00 0.00 O ATOM 0 H ASP A 73 -5.012 12.392 -7.213 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.653 11.794 -8.765 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.307 12.912 -6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.667 12.439 -6.417 1.00 0.00 H new ATOM 1124 N ILE A 74 -3.788 9.339 -7.364 1.00 0.00 N ATOM 1125 CA ILE A 74 -3.546 7.965 -6.953 1.00 0.00 C ATOM 1126 C ILE A 74 -2.267 7.432 -7.615 1.00 0.00 C ATOM 1127 O ILE A 74 -1.986 7.746 -8.777 1.00 0.00 O ATOM 1128 CB ILE A 74 -4.798 7.125 -7.276 1.00 0.00 C ATOM 1129 CG1 ILE A 74 -4.960 6.047 -6.200 1.00 0.00 C ATOM 1130 CG2 ILE A 74 -4.888 6.703 -8.754 1.00 0.00 C ATOM 1131 CD1 ILE A 74 -6.141 5.111 -6.424 1.00 0.00 C ATOM 0 H ILE A 74 -4.726 9.503 -7.729 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.377 7.903 -5.878 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.702 7.730 -7.209 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.046 5.455 -6.154 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.074 6.532 -5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.793 6.115 -8.910 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.919 7.591 -9.385 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.016 6.103 -9.015 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.183 4.379 -5.618 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.065 5.689 -6.438 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.021 4.595 -7.377 1.00 0.00 H new ATOM 1143 N GLY A 75 -1.481 6.640 -6.887 1.00 0.00 N ATOM 1144 CA GLY A 75 -0.221 6.119 -7.402 1.00 0.00 C ATOM 1145 C GLY A 75 0.910 7.155 -7.454 1.00 0.00 C ATOM 1146 O GLY A 75 2.064 6.764 -7.633 1.00 0.00 O ATOM 0 H GLY A 75 -1.698 6.346 -5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.096 5.282 -6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.386 5.726 -8.405 1.00 0.00 H new ATOM 1150 N LYS A 76 0.661 8.457 -7.242 1.00 0.00 N ATOM 1151 CA LYS A 76 1.716 9.397 -6.903 1.00 0.00 C ATOM 1152 C LYS A 76 2.144 9.054 -5.477 1.00 0.00 C ATOM 1153 O LYS A 76 1.326 8.583 -4.686 1.00 0.00 O ATOM 1154 CB LYS A 76 1.235 10.855 -6.955 1.00 0.00 C ATOM 1155 CG LYS A 76 0.710 11.303 -8.325 1.00 0.00 C ATOM 1156 CD LYS A 76 1.672 12.179 -9.132 1.00 0.00 C ATOM 1157 CE LYS A 76 1.000 12.465 -10.481 1.00 0.00 C ATOM 1158 NZ LYS A 76 1.635 13.559 -11.242 1.00 0.00 N ATOM 0 H LYS A 76 -0.268 8.874 -7.302 1.00 0.00 H new ATOM 0 HA LYS A 76 2.533 9.313 -7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.446 10.991 -6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.059 11.507 -6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.470 10.417 -8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.221 11.851 -8.179 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.883 13.108 -8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.626 11.671 -9.277 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.017 11.557 -11.085 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.047 12.714 -10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.129 13.696 -12.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.596 14.437 -10.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.627 13.316 -11.437 1.00 0.00 H new ATOM 1172 N PRO A 77 3.399 9.307 -5.117 1.00 0.00 N ATOM 1173 CA PRO A 77 3.939 8.926 -3.828 1.00 0.00 C ATOM 1174 C PRO A 77 3.297 9.728 -2.701 1.00 0.00 C ATOM 1175 O PRO A 77 2.840 10.857 -2.919 1.00 0.00 O ATOM 1176 CB PRO A 77 5.454 9.105 -3.939 1.00 0.00 C ATOM 1177 CG PRO A 77 5.666 9.975 -5.180 1.00 0.00 C ATOM 1178 CD PRO A 77 4.391 9.838 -6.009 1.00 0.00 C ATOM 0 HA PRO A 77 3.714 7.890 -3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.860 9.584 -3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.958 8.144 -4.041 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.842 11.014 -4.903 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.537 9.644 -5.745 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.080 10.803 -6.410 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.547 9.175 -6.860 1.00 0.00 H new ATOM 1186 N ILE A 78 3.334 9.183 -1.487 1.00 0.00 N ATOM 1187 CA ILE A 78 3.140 9.952 -0.263 1.00 0.00 C ATOM 1188 C ILE A 78 4.531 10.194 0.318 1.00 0.00 C ATOM 1189 O ILE A 78 5.455 9.439 0.005 1.00 0.00 O ATOM 1190 CB ILE A 78 2.226 9.224 0.758 1.00 0.00 C ATOM 1191 CG1 ILE A 78 2.764 7.859 1.234 1.00 0.00 C ATOM 1192 CG2 ILE A 78 0.831 8.998 0.169 1.00 0.00 C ATOM 1193 CD1 ILE A 78 2.114 7.352 2.524 1.00 0.00 C ATOM 0 H ILE A 78 3.500 8.190 -1.326 1.00 0.00 H new ATOM 0 HA ILE A 78 2.631 10.890 -0.486 1.00 0.00 H new ATOM 0 HB ILE A 78 2.195 9.887 1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.607 7.123 0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.840 7.937 1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.206 8.486 0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.382 9.959 -0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.910 8.388 -0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.545 6.388 2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.293 8.067 3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.041 7.240 2.371 1.00 0.00 H new