USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 557 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 10 MET CE :methyl 173:sc= -3.21 (180deg=-3.47) USER MOD Single : A 11 SER OG : rot -67:sc= 0.281 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.2) USER MOD Single : A 17 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.53) USER MOD Single : A 19 SER OG : rot -43:sc= 1.26 USER MOD Single : A 23 ASN : amide:sc= -0.01 X(o=-0.01,f=-0.00054) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -0.0263 (180deg=-0.262) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0111) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -4.55! C(o=-4.6!,f=-9.1!) USER MOD Single : A 39 SER OG : rot -78:sc= 1.22 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0496 USER MOD Single : A 45 LYS NZ :NH3+ -105:sc= -1.26 (180deg=-3.59!) USER MOD Single : A 46 ASN : amide:sc=-0.00867 X(o=-0.0087,f=-0.0087) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 58 THR OG1 : rot -80:sc= 0.0482 USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= 0.911 (180deg=0.839) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 63 THR OG1 : rot 167:sc= 1.26 USER MOD Single : A 70 TYR OH : rot 178:sc= 1.17 USER MOD Single : A 72 THR OG1 : rot -15:sc= 1.13 USER MOD Single : A 73 SER OG : rot -47:sc= 1.23 USER MOD Single : A 74 CYS SG : rot -20:sc= 0.139 USER MOD ----------------------------------------------------------------- ATOM 126 N PRO A 9 -13.312 6.866 -2.269 1.00 0.00 N ATOM 127 CA PRO A 9 -12.842 6.018 -3.366 1.00 0.00 C ATOM 128 C PRO A 9 -11.537 6.510 -3.975 1.00 0.00 C ATOM 129 O PRO A 9 -11.430 7.664 -4.395 1.00 0.00 O ATOM 130 CB PRO A 9 -13.974 6.081 -4.395 1.00 0.00 C ATOM 131 CG PRO A 9 -14.744 7.313 -4.066 1.00 0.00 C ATOM 132 CD PRO A 9 -14.588 7.530 -2.584 1.00 0.00 C ATOM 0 HA PRO A 9 -12.625 5.007 -3.020 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.579 6.124 -5.410 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.607 5.196 -4.337 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.365 8.168 -4.626 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.794 7.197 -4.333 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.560 8.591 -2.335 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.416 7.093 -2.026 1.00 0.00 H new ATOM 140 N MET A 10 -10.544 5.633 -4.009 1.00 0.00 N ATOM 141 CA MET A 10 -9.248 5.967 -4.581 1.00 0.00 C ATOM 142 C MET A 10 -9.297 5.807 -6.094 1.00 0.00 C ATOM 143 O MET A 10 -9.605 4.726 -6.603 1.00 0.00 O ATOM 144 CB MET A 10 -8.150 5.070 -4.009 1.00 0.00 C ATOM 145 CG MET A 10 -6.751 5.493 -4.419 1.00 0.00 C ATOM 146 SD MET A 10 -6.037 6.727 -3.324 1.00 0.00 S ATOM 147 CE MET A 10 -5.940 5.794 -1.810 1.00 0.00 C ATOM 0 H MET A 10 -10.612 4.682 -3.646 1.00 0.00 H new ATOM 0 HA MET A 10 -9.018 7.002 -4.326 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.218 5.073 -2.921 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.322 4.044 -4.336 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.104 4.616 -4.439 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.781 5.890 -5.434 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.404 6.374 -1.059 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.946 5.577 -1.451 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.411 4.859 -1.992 1.00 0.00 H new ATOM 157 N SER A 11 -8.991 6.877 -6.806 1.00 0.00 N ATOM 158 CA SER A 11 -9.081 6.875 -8.259 1.00 0.00 C ATOM 159 C SER A 11 -7.875 6.174 -8.901 1.00 0.00 C ATOM 160 O SER A 11 -6.926 5.805 -8.202 1.00 0.00 O ATOM 161 CB SER A 11 -9.215 8.311 -8.774 1.00 0.00 C ATOM 162 OG SER A 11 -8.187 9.143 -8.255 1.00 0.00 O ATOM 0 H SER A 11 -8.678 7.760 -6.403 1.00 0.00 H new ATOM 0 HA SER A 11 -9.969 6.311 -8.544 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.174 8.314 -9.863 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.188 8.712 -8.491 1.00 0.00 H new ATOM 0 HG SER A 11 -8.307 9.247 -7.288 1.00 0.00 H new ATOM 168 N TYR A 12 -7.912 5.998 -10.225 1.00 0.00 N ATOM 169 CA TYR A 12 -6.856 5.286 -10.947 1.00 0.00 C ATOM 170 C TYR A 12 -5.493 5.937 -10.729 1.00 0.00 C ATOM 171 O TYR A 12 -4.516 5.262 -10.385 1.00 0.00 O ATOM 172 CB TYR A 12 -7.208 5.214 -12.451 1.00 0.00 C ATOM 173 CG TYR A 12 -6.038 5.404 -13.407 1.00 0.00 C ATOM 174 CD1 TYR A 12 -5.065 4.424 -13.569 1.00 0.00 C ATOM 175 CD2 TYR A 12 -5.918 6.570 -14.158 1.00 0.00 C ATOM 176 CE1 TYR A 12 -4.010 4.598 -14.444 1.00 0.00 C ATOM 177 CE2 TYR A 12 -4.864 6.752 -15.036 1.00 0.00 C ATOM 178 CZ TYR A 12 -3.913 5.763 -15.175 1.00 0.00 C ATOM 179 OH TYR A 12 -2.864 5.935 -16.052 1.00 0.00 O ATOM 0 H TYR A 12 -8.666 6.341 -10.820 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.791 4.272 -10.553 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.667 4.246 -12.653 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.959 5.974 -12.668 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.135 3.509 -13.000 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.661 7.347 -14.053 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.264 3.825 -14.555 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.787 7.664 -15.609 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.943 6.809 -16.489 1.00 0.00 H new ATOM 189 N GLU A 13 -5.441 7.248 -10.908 1.00 0.00 N ATOM 190 CA GLU A 13 -4.205 8.000 -10.784 1.00 0.00 C ATOM 191 C GLU A 13 -3.640 7.864 -9.384 1.00 0.00 C ATOM 192 O GLU A 13 -2.429 7.748 -9.192 1.00 0.00 O ATOM 193 CB GLU A 13 -4.470 9.482 -11.088 1.00 0.00 C ATOM 194 CG GLU A 13 -5.075 9.730 -12.463 1.00 0.00 C ATOM 195 CD GLU A 13 -6.592 9.795 -12.428 1.00 0.00 C ATOM 196 OE1 GLU A 13 -7.237 8.792 -12.061 1.00 0.00 O ATOM 197 OE2 GLU A 13 -7.146 10.866 -12.751 1.00 0.00 O ATOM 0 H GLU A 13 -6.253 7.818 -11.143 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.481 7.603 -11.496 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.140 9.884 -10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.532 10.032 -11.009 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.684 10.664 -12.865 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.764 8.936 -13.142 1.00 0.00 H new ATOM 204 N GLU A 14 -4.536 7.852 -8.418 1.00 0.00 N ATOM 205 CA GLU A 14 -4.162 7.790 -7.029 1.00 0.00 C ATOM 206 C GLU A 14 -3.595 6.424 -6.689 1.00 0.00 C ATOM 207 O GLU A 14 -2.575 6.323 -6.021 1.00 0.00 O ATOM 208 CB GLU A 14 -5.371 8.082 -6.165 1.00 0.00 C ATOM 209 CG GLU A 14 -5.784 9.542 -6.147 1.00 0.00 C ATOM 210 CD GLU A 14 -6.905 9.800 -5.159 1.00 0.00 C ATOM 211 OE1 GLU A 14 -8.031 9.309 -5.388 1.00 0.00 O ATOM 212 OE2 GLU A 14 -6.668 10.492 -4.142 1.00 0.00 O ATOM 0 H GLU A 14 -5.543 7.885 -8.579 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.392 8.537 -6.838 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.210 7.483 -6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.160 7.763 -5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.924 10.160 -5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.104 9.841 -7.145 1.00 0.00 H new ATOM 219 N LYS A 15 -4.264 5.376 -7.155 1.00 0.00 N ATOM 220 CA LYS A 15 -3.764 4.010 -6.979 1.00 0.00 C ATOM 221 C LYS A 15 -2.359 3.874 -7.564 1.00 0.00 C ATOM 222 O LYS A 15 -1.511 3.168 -7.016 1.00 0.00 O ATOM 223 CB LYS A 15 -4.686 2.987 -7.634 1.00 0.00 C ATOM 224 CG LYS A 15 -6.006 2.796 -6.927 1.00 0.00 C ATOM 225 CD LYS A 15 -7.044 2.293 -7.898 1.00 0.00 C ATOM 226 CE LYS A 15 -8.069 1.428 -7.203 1.00 0.00 C ATOM 227 NZ LYS A 15 -9.022 0.818 -8.166 1.00 0.00 N ATOM 0 H LYS A 15 -5.150 5.441 -7.656 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.734 3.812 -5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.879 3.295 -8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.170 2.028 -7.680 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.889 2.087 -6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.333 3.739 -6.489 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.541 3.139 -8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.559 1.722 -8.689 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.562 0.640 -6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.619 2.028 -6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.688 0.205 -7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.549 1.569 -8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.497 0.252 -8.863 1.00 0.00 H new ATOM 241 N ARG A 16 -2.122 4.553 -8.686 1.00 0.00 N ATOM 242 CA ARG A 16 -0.797 4.591 -9.291 1.00 0.00 C ATOM 243 C ARG A 16 0.192 5.270 -8.362 1.00 0.00 C ATOM 244 O ARG A 16 1.232 4.702 -8.034 1.00 0.00 O ATOM 245 CB ARG A 16 -0.817 5.320 -10.631 1.00 0.00 C ATOM 246 CG ARG A 16 0.558 5.411 -11.253 1.00 0.00 C ATOM 247 CD ARG A 16 0.583 6.322 -12.460 1.00 0.00 C ATOM 248 NE ARG A 16 -0.007 7.637 -12.194 1.00 0.00 N ATOM 249 CZ ARG A 16 -0.409 8.476 -13.149 1.00 0.00 C ATOM 250 NH1 ARG A 16 -0.277 8.144 -14.429 1.00 0.00 N ATOM 251 NH2 ARG A 16 -0.939 9.646 -12.825 1.00 0.00 N ATOM 0 H ARG A 16 -2.832 5.083 -9.192 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.487 3.560 -9.462 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.489 4.802 -11.315 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.217 6.324 -10.490 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.267 5.776 -10.510 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.889 4.414 -11.546 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.614 6.452 -12.790 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.044 5.846 -13.279 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.116 7.927 -11.222 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.133 7.245 -14.683 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.586 8.788 -15.157 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.040 9.906 -11.844 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.246 10.287 -13.557 1.00 0.00 H new ATOM 265 N GLN A 17 -0.145 6.478 -7.934 1.00 0.00 N ATOM 266 CA GLN A 17 0.706 7.240 -7.036 1.00 0.00 C ATOM 267 C GLN A 17 0.955 6.455 -5.755 1.00 0.00 C ATOM 268 O GLN A 17 2.056 6.459 -5.213 1.00 0.00 O ATOM 269 CB GLN A 17 0.062 8.585 -6.725 1.00 0.00 C ATOM 270 CG GLN A 17 1.022 9.573 -6.098 1.00 0.00 C ATOM 271 CD GLN A 17 2.150 9.947 -7.037 1.00 0.00 C ATOM 272 OE1 GLN A 17 3.202 9.309 -7.048 1.00 0.00 O ATOM 273 NE2 GLN A 17 1.934 10.975 -7.840 1.00 0.00 N ATOM 0 H GLN A 17 -1.008 6.953 -8.197 1.00 0.00 H new ATOM 0 HA GLN A 17 1.666 7.418 -7.521 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.338 9.011 -7.645 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.781 8.430 -6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.478 10.472 -5.809 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.437 9.145 -5.186 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.047 11.477 -7.799 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.654 11.266 -8.501 1.00 0.00 H new ATOM 282 N LEU A 18 -0.084 5.768 -5.311 1.00 0.00 N ATOM 283 CA LEU A 18 -0.032 4.893 -4.146 1.00 0.00 C ATOM 284 C LEU A 18 1.010 3.796 -4.352 1.00 0.00 C ATOM 285 O LEU A 18 1.873 3.567 -3.514 1.00 0.00 O ATOM 286 CB LEU A 18 -1.410 4.264 -3.949 1.00 0.00 C ATOM 287 CG LEU A 18 -1.811 3.882 -2.527 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.139 3.167 -2.566 1.00 0.00 C ATOM 289 CD2 LEU A 18 -0.768 3.017 -1.849 1.00 0.00 C ATOM 0 H LEU A 18 -1.002 5.801 -5.754 1.00 0.00 H new ATOM 0 HA LEU A 18 0.247 5.472 -3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.156 4.960 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.462 3.367 -4.566 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.893 4.797 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.433 2.890 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.894 3.825 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.051 2.268 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.099 2.772 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.631 2.098 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.177 3.558 -1.799 1.00 0.00 H new ATOM 301 N SER A 19 0.931 3.121 -5.480 1.00 0.00 N ATOM 302 CA SER A 19 1.855 2.043 -5.774 1.00 0.00 C ATOM 303 C SER A 19 3.290 2.573 -5.838 1.00 0.00 C ATOM 304 O SER A 19 4.261 1.839 -5.620 1.00 0.00 O ATOM 305 CB SER A 19 1.444 1.374 -7.085 1.00 0.00 C ATOM 306 OG SER A 19 1.887 2.114 -8.213 1.00 0.00 O ATOM 0 H SER A 19 0.238 3.298 -6.208 1.00 0.00 H new ATOM 0 HA SER A 19 1.820 1.299 -4.978 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.858 0.367 -7.125 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.359 1.274 -7.118 1.00 0.00 H new ATOM 0 HG SER A 19 1.728 3.069 -8.061 1.00 0.00 H new ATOM 312 N LEU A 20 3.403 3.868 -6.099 1.00 0.00 N ATOM 313 CA LEU A 20 4.687 4.532 -6.210 1.00 0.00 C ATOM 314 C LEU A 20 5.169 5.022 -4.839 1.00 0.00 C ATOM 315 O LEU A 20 6.367 5.018 -4.557 1.00 0.00 O ATOM 316 CB LEU A 20 4.571 5.684 -7.205 1.00 0.00 C ATOM 317 CG LEU A 20 4.204 5.261 -8.623 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.250 6.450 -9.552 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.119 4.156 -9.109 1.00 0.00 C ATOM 0 H LEU A 20 2.603 4.486 -6.239 1.00 0.00 H new ATOM 0 HA LEU A 20 5.431 3.824 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.820 6.386 -6.843 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.520 6.220 -7.233 1.00 0.00 H new ATOM 0 HG LEU A 20 3.186 4.871 -8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.986 6.134 -10.561 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.542 7.205 -9.211 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.256 6.871 -9.555 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.838 3.871 -10.123 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.150 4.509 -9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.028 3.292 -8.450 1.00 0.00 H new ATOM 331 N ASP A 21 4.228 5.420 -3.982 1.00 0.00 N ATOM 332 CA ASP A 21 4.555 5.836 -2.616 1.00 0.00 C ATOM 333 C ASP A 21 4.843 4.622 -1.731 1.00 0.00 C ATOM 334 O ASP A 21 5.699 4.679 -0.844 1.00 0.00 O ATOM 335 CB ASP A 21 3.471 6.756 -2.028 1.00 0.00 C ATOM 336 CG ASP A 21 2.087 6.146 -1.888 1.00 0.00 C ATOM 337 OD1 ASP A 21 1.957 5.060 -1.300 1.00 0.00 O ATOM 338 OD2 ASP A 21 1.118 6.799 -2.334 1.00 0.00 O ATOM 0 H ASP A 21 3.234 5.463 -4.208 1.00 0.00 H new ATOM 0 HA ASP A 21 5.469 6.429 -2.651 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.800 7.091 -1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.394 7.643 -2.657 1.00 0.00 H new ATOM 343 N ILE A 22 4.165 3.515 -1.999 1.00 0.00 N ATOM 344 CA ILE A 22 4.508 2.241 -1.386 1.00 0.00 C ATOM 345 C ILE A 22 5.907 1.820 -1.807 1.00 0.00 C ATOM 346 O ILE A 22 6.675 1.270 -1.017 1.00 0.00 O ATOM 347 CB ILE A 22 3.482 1.161 -1.783 1.00 0.00 C ATOM 348 CG1 ILE A 22 2.355 1.126 -0.756 1.00 0.00 C ATOM 349 CG2 ILE A 22 4.124 -0.213 -1.945 1.00 0.00 C ATOM 350 CD1 ILE A 22 1.178 0.273 -1.172 1.00 0.00 C ATOM 0 H ILE A 22 3.372 3.474 -2.639 1.00 0.00 H new ATOM 0 HA ILE A 22 4.487 2.356 -0.302 1.00 0.00 H new ATOM 0 HB ILE A 22 3.071 1.425 -2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.748 0.751 0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.009 2.144 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.362 -0.940 -2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.886 -0.169 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.583 -0.513 -1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.417 0.297 -0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.758 0.660 -2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.509 -0.754 -1.324 1.00 0.00 H new ATOM 362 N ASN A 23 6.236 2.109 -3.056 1.00 0.00 N ATOM 363 CA ASN A 23 7.540 1.786 -3.603 1.00 0.00 C ATOM 364 C ASN A 23 8.634 2.638 -2.943 1.00 0.00 C ATOM 365 O ASN A 23 9.821 2.323 -3.022 1.00 0.00 O ATOM 366 CB ASN A 23 7.513 2.020 -5.115 1.00 0.00 C ATOM 367 CG ASN A 23 8.793 1.610 -5.814 1.00 0.00 C ATOM 368 OD1 ASN A 23 8.941 0.467 -6.241 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.714 2.544 -5.958 1.00 0.00 N ATOM 0 H ASN A 23 5.609 2.572 -3.714 1.00 0.00 H new ATOM 0 HA ASN A 23 7.770 0.740 -3.399 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.680 1.465 -5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.326 3.076 -5.308 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.588 2.329 -6.439 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.552 3.481 -5.589 1.00 0.00 H new ATOM 376 N LYS A 24 8.218 3.719 -2.294 1.00 0.00 N ATOM 377 CA LYS A 24 9.135 4.615 -1.600 1.00 0.00 C ATOM 378 C LYS A 24 9.464 4.104 -0.201 1.00 0.00 C ATOM 379 O LYS A 24 10.454 4.521 0.403 1.00 0.00 O ATOM 380 CB LYS A 24 8.519 6.006 -1.492 1.00 0.00 C ATOM 381 CG LYS A 24 8.707 6.882 -2.720 1.00 0.00 C ATOM 382 CD LYS A 24 7.883 8.157 -2.606 1.00 0.00 C ATOM 383 CE LYS A 24 8.256 9.181 -3.668 1.00 0.00 C ATOM 384 NZ LYS A 24 9.640 9.696 -3.485 1.00 0.00 N ATOM 0 H LYS A 24 7.239 3.999 -2.234 1.00 0.00 H new ATOM 0 HA LYS A 24 10.058 4.657 -2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.452 5.902 -1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.952 6.514 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.761 7.134 -2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.412 6.332 -3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.825 7.912 -2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.027 8.593 -1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.165 8.728 -4.655 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.552 10.013 -3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.758 10.576 -4.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.809 9.886 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.322 8.987 -3.823 1.00 0.00 H new ATOM 398 N LEU A 25 8.623 3.219 0.316 1.00 0.00 N ATOM 399 CA LEU A 25 8.804 2.693 1.664 1.00 0.00 C ATOM 400 C LEU A 25 9.938 1.676 1.734 1.00 0.00 C ATOM 401 O LEU A 25 10.081 0.827 0.851 1.00 0.00 O ATOM 402 CB LEU A 25 7.518 2.044 2.171 1.00 0.00 C ATOM 403 CG LEU A 25 6.378 3.004 2.491 1.00 0.00 C ATOM 404 CD1 LEU A 25 5.355 2.297 3.343 1.00 0.00 C ATOM 405 CD2 LEU A 25 6.888 4.227 3.217 1.00 0.00 C ATOM 0 H LEU A 25 7.809 2.850 -0.176 1.00 0.00 H new ATOM 0 HA LEU A 25 9.062 3.541 2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.171 1.333 1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.750 1.472 3.069 1.00 0.00 H new ATOM 0 HG LEU A 25 5.923 3.328 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.538 2.981 3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.965 1.435 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.821 1.963 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.055 4.896 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.362 3.924 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.615 4.745 2.591 1.00 0.00 H new ATOM 417 N PRO A 26 10.770 1.761 2.791 1.00 0.00 N ATOM 418 CA PRO A 26 11.793 0.754 3.062 1.00 0.00 C ATOM 419 C PRO A 26 11.162 -0.577 3.464 1.00 0.00 C ATOM 420 O PRO A 26 10.047 -0.603 3.988 1.00 0.00 O ATOM 421 CB PRO A 26 12.606 1.344 4.221 1.00 0.00 C ATOM 422 CG PRO A 26 11.708 2.349 4.862 1.00 0.00 C ATOM 423 CD PRO A 26 10.781 2.852 3.784 1.00 0.00 C ATOM 0 HA PRO A 26 12.406 0.541 2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.899 0.570 4.930 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.523 1.810 3.861 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.144 1.899 5.679 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.286 3.169 5.288 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.782 3.047 4.175 1.00 0.00 H new ATOM 0 HD3 PRO A 26 11.141 3.784 3.350 1.00 0.00 H new ATOM 431 N GLY A 27 11.894 -1.663 3.233 1.00 0.00 N ATOM 432 CA GLY A 27 11.362 -3.011 3.396 1.00 0.00 C ATOM 433 C GLY A 27 10.588 -3.238 4.685 1.00 0.00 C ATOM 434 O GLY A 27 9.477 -3.762 4.661 1.00 0.00 O ATOM 0 H GLY A 27 12.867 -1.634 2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.709 -3.233 2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.189 -3.720 3.355 1.00 0.00 H new ATOM 438 N GLU A 28 11.158 -2.840 5.809 1.00 0.00 N ATOM 439 CA GLU A 28 10.542 -3.110 7.105 1.00 0.00 C ATOM 440 C GLU A 28 9.281 -2.271 7.311 1.00 0.00 C ATOM 441 O GLU A 28 8.287 -2.741 7.872 1.00 0.00 O ATOM 442 CB GLU A 28 11.579 -2.906 8.208 1.00 0.00 C ATOM 443 CG GLU A 28 12.024 -1.484 8.444 1.00 0.00 C ATOM 444 CD GLU A 28 11.326 -0.827 9.620 1.00 0.00 C ATOM 445 OE1 GLU A 28 10.121 -1.075 9.830 1.00 0.00 O ATOM 446 OE2 GLU A 28 11.987 -0.052 10.343 1.00 0.00 O ATOM 0 H GLU A 28 12.041 -2.332 5.855 1.00 0.00 H new ATOM 0 HA GLU A 28 10.212 -4.148 7.142 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.171 -3.297 9.140 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.457 -3.505 7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.100 -1.471 8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.837 -0.897 7.545 1.00 0.00 H new ATOM 453 N LYS A 29 9.308 -1.056 6.794 1.00 0.00 N ATOM 454 CA LYS A 29 8.140 -0.168 6.862 1.00 0.00 C ATOM 455 C LYS A 29 7.064 -0.645 5.899 1.00 0.00 C ATOM 456 O LYS A 29 5.871 -0.431 6.113 1.00 0.00 O ATOM 457 CB LYS A 29 8.512 1.266 6.474 1.00 0.00 C ATOM 458 CG LYS A 29 8.732 2.230 7.633 1.00 0.00 C ATOM 459 CD LYS A 29 9.827 1.766 8.563 1.00 0.00 C ATOM 460 CE LYS A 29 10.646 2.930 9.092 1.00 0.00 C ATOM 461 NZ LYS A 29 9.821 3.868 9.894 1.00 0.00 N ATOM 0 H LYS A 29 10.118 -0.654 6.322 1.00 0.00 H new ATOM 0 HA LYS A 29 7.776 -0.188 7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.421 1.236 5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.723 1.667 5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.985 3.215 7.241 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.804 2.339 8.194 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.388 1.221 9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.481 1.071 8.037 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.463 2.550 9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.097 3.466 8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.429 4.611 10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.098 4.302 9.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.357 3.349 10.666 1.00 0.00 H new ATOM 475 N LEU A 30 7.486 -1.310 4.846 1.00 0.00 N ATOM 476 CA LEU A 30 6.556 -1.793 3.849 1.00 0.00 C ATOM 477 C LEU A 30 5.931 -3.111 4.286 1.00 0.00 C ATOM 478 O LEU A 30 4.939 -3.552 3.719 1.00 0.00 O ATOM 479 CB LEU A 30 7.245 -1.853 2.478 1.00 0.00 C ATOM 480 CG LEU A 30 7.067 -3.111 1.626 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.525 -2.821 0.224 1.00 0.00 C ATOM 482 CD2 LEU A 30 7.847 -4.284 2.184 1.00 0.00 C ATOM 0 H LEU A 30 8.465 -1.528 4.658 1.00 0.00 H new ATOM 0 HA LEU A 30 5.724 -1.096 3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.893 -1.004 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.314 -1.709 2.637 1.00 0.00 H new ATOM 0 HG LEU A 30 6.011 -3.383 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.402 -3.713 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.930 -2.008 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.576 -2.532 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.694 -5.157 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.908 -4.036 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.501 -4.504 3.194 1.00 0.00 H new ATOM 494 N GLY A 31 6.490 -3.721 5.323 1.00 0.00 N ATOM 495 CA GLY A 31 5.841 -4.866 5.929 1.00 0.00 C ATOM 496 C GLY A 31 4.523 -4.462 6.561 1.00 0.00 C ATOM 497 O GLY A 31 3.666 -5.300 6.821 1.00 0.00 O ATOM 0 H GLY A 31 7.374 -3.446 5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.668 -5.634 5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.494 -5.303 6.685 1.00 0.00 H new ATOM 501 N ARG A 32 4.357 -3.165 6.810 1.00 0.00 N ATOM 502 CA ARG A 32 3.092 -2.657 7.319 1.00 0.00 C ATOM 503 C ARG A 32 2.029 -2.647 6.235 1.00 0.00 C ATOM 504 O ARG A 32 0.883 -2.973 6.510 1.00 0.00 O ATOM 505 CB ARG A 32 3.219 -1.253 7.890 1.00 0.00 C ATOM 506 CG ARG A 32 1.912 -0.719 8.453 1.00 0.00 C ATOM 507 CD ARG A 32 1.997 -0.497 9.953 1.00 0.00 C ATOM 508 NE ARG A 32 2.162 -1.750 10.692 1.00 0.00 N ATOM 509 CZ ARG A 32 1.488 -2.059 11.800 1.00 0.00 C ATOM 510 NH1 ARG A 32 0.589 -1.213 12.295 1.00 0.00 N ATOM 511 NH2 ARG A 32 1.715 -3.212 12.418 1.00 0.00 N ATOM 0 H ARG A 32 5.076 -2.456 6.668 1.00 0.00 H new ATOM 0 HA ARG A 32 2.797 -3.334 8.121 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.973 -1.254 8.677 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.573 -0.580 7.109 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.660 0.220 7.960 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.107 -1.421 8.234 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.835 0.165 10.173 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.093 0.008 10.295 1.00 0.00 H new ATOM 0 HE ARG A 32 2.835 -2.429 10.337 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.413 -0.324 11.827 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.075 -1.453 13.143 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.406 -3.863 12.045 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.198 -3.447 13.266 1.00 0.00 H new ATOM 525 N VAL A 33 2.384 -2.261 5.011 1.00 0.00 N ATOM 526 CA VAL A 33 1.395 -2.265 3.934 1.00 0.00 C ATOM 527 C VAL A 33 0.897 -3.677 3.697 1.00 0.00 C ATOM 528 O VAL A 33 -0.305 -3.901 3.624 1.00 0.00 O ATOM 529 CB VAL A 33 1.894 -1.655 2.605 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.191 -0.339 2.354 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.386 -1.424 2.591 1.00 0.00 C ATOM 0 H VAL A 33 3.318 -1.951 4.744 1.00 0.00 H new ATOM 0 HA VAL A 33 0.584 -1.620 4.272 1.00 0.00 H new ATOM 0 HB VAL A 33 1.664 -2.375 1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.545 0.089 1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.116 -0.507 2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.406 0.350 3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.679 -0.994 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.655 -0.738 3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.902 -2.373 2.736 1.00 0.00 H new ATOM 541 N VAL A 34 1.823 -4.620 3.599 1.00 0.00 N ATOM 542 CA VAL A 34 1.478 -6.046 3.571 1.00 0.00 C ATOM 543 C VAL A 34 0.541 -6.381 4.740 1.00 0.00 C ATOM 544 O VAL A 34 -0.437 -7.096 4.571 1.00 0.00 O ATOM 545 CB VAL A 34 2.739 -6.972 3.630 1.00 0.00 C ATOM 546 CG1 VAL A 34 3.997 -6.230 3.229 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.918 -7.626 4.994 1.00 0.00 C ATOM 0 H VAL A 34 2.823 -4.429 3.537 1.00 0.00 H new ATOM 0 HA VAL A 34 0.978 -6.234 2.621 1.00 0.00 H new ATOM 0 HB VAL A 34 2.565 -7.768 2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.851 -6.906 3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.891 -5.859 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.156 -5.391 3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.806 -8.257 4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.032 -6.854 5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.043 -8.235 5.223 1.00 0.00 H new ATOM 557 N HIS A 35 0.836 -5.820 5.911 1.00 0.00 N ATOM 558 CA HIS A 35 0.080 -6.101 7.124 1.00 0.00 C ATOM 559 C HIS A 35 -1.325 -5.517 7.028 1.00 0.00 C ATOM 560 O HIS A 35 -2.310 -6.194 7.306 1.00 0.00 O ATOM 561 CB HIS A 35 0.826 -5.525 8.333 1.00 0.00 C ATOM 562 CG HIS A 35 0.226 -5.876 9.657 1.00 0.00 C ATOM 563 ND1 HIS A 35 0.657 -6.942 10.413 1.00 0.00 N ATOM 564 CD2 HIS A 35 -0.759 -5.282 10.370 1.00 0.00 C ATOM 565 CE1 HIS A 35 -0.036 -6.992 11.533 1.00 0.00 C ATOM 566 NE2 HIS A 35 -0.902 -5.995 11.534 1.00 0.00 N ATOM 0 H HIS A 35 1.603 -5.161 6.043 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.015 -7.180 7.245 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.857 -5.879 8.310 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.859 -4.440 8.240 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.326 -4.411 10.078 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.084 -7.725 12.317 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.568 -5.789 12.278 1.00 0.00 H new ATOM 575 N ILE A 36 -1.405 -4.256 6.630 1.00 0.00 N ATOM 576 CA ILE A 36 -2.683 -3.581 6.441 1.00 0.00 C ATOM 577 C ILE A 36 -3.492 -4.295 5.374 1.00 0.00 C ATOM 578 O ILE A 36 -4.681 -4.553 5.536 1.00 0.00 O ATOM 579 CB ILE A 36 -2.480 -2.114 6.011 1.00 0.00 C ATOM 580 CG1 ILE A 36 -1.691 -1.364 7.089 1.00 0.00 C ATOM 581 CG2 ILE A 36 -3.829 -1.452 5.757 1.00 0.00 C ATOM 582 CD1 ILE A 36 -1.129 -0.038 6.637 1.00 0.00 C ATOM 0 H ILE A 36 -0.592 -3.674 6.430 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.214 -3.601 7.393 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.909 -2.083 5.083 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.341 -1.196 7.948 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.871 -1.996 7.429 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.675 -0.416 5.454 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.354 -1.987 4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.425 -1.478 6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.586 0.426 7.460 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.451 -0.197 5.798 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.944 0.616 6.326 1.00 0.00 H new ATOM 594 N ILE A 37 -2.819 -4.617 4.292 1.00 0.00 N ATOM 595 CA ILE A 37 -3.423 -5.311 3.180 1.00 0.00 C ATOM 596 C ILE A 37 -3.924 -6.697 3.596 1.00 0.00 C ATOM 597 O ILE A 37 -5.107 -6.946 3.543 1.00 0.00 O ATOM 598 CB ILE A 37 -2.425 -5.385 2.014 1.00 0.00 C ATOM 599 CG1 ILE A 37 -2.352 -4.035 1.311 1.00 0.00 C ATOM 600 CG2 ILE A 37 -2.797 -6.482 1.045 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.091 -3.841 0.520 1.00 0.00 C ATOM 0 H ILE A 37 -1.831 -4.403 4.159 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.298 -4.753 2.846 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.440 -5.626 2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.209 -3.934 0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.431 -3.242 2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.073 -6.510 0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.797 -7.441 1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.790 -6.288 0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.106 -2.859 0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.230 -3.910 1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.020 -4.613 -0.247 1.00 0.00 H new ATOM 613 N GLN A 38 -3.037 -7.576 4.044 1.00 0.00 N ATOM 614 CA GLN A 38 -3.429 -8.932 4.473 1.00 0.00 C ATOM 615 C GLN A 38 -4.555 -8.919 5.518 1.00 0.00 C ATOM 616 O GLN A 38 -5.383 -9.832 5.559 1.00 0.00 O ATOM 617 CB GLN A 38 -2.234 -9.688 5.065 1.00 0.00 C ATOM 618 CG GLN A 38 -1.113 -9.971 4.085 1.00 0.00 C ATOM 619 CD GLN A 38 0.055 -10.687 4.734 1.00 0.00 C ATOM 620 OE1 GLN A 38 1.203 -10.498 4.347 1.00 0.00 O ATOM 621 NE2 GLN A 38 -0.229 -11.526 5.723 1.00 0.00 N ATOM 0 H GLN A 38 -2.038 -7.384 4.124 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.790 -9.435 3.576 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.833 -9.110 5.898 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.587 -10.634 5.475 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.496 -10.577 3.264 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.766 -9.032 3.653 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.196 -11.658 6.018 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.520 -12.039 6.188 1.00 0.00 H new ATOM 630 N SER A 39 -4.574 -7.906 6.379 1.00 0.00 N ATOM 631 CA SER A 39 -5.583 -7.829 7.432 1.00 0.00 C ATOM 632 C SER A 39 -6.917 -7.327 6.881 1.00 0.00 C ATOM 633 O SER A 39 -7.972 -7.907 7.151 1.00 0.00 O ATOM 634 CB SER A 39 -5.104 -6.923 8.571 1.00 0.00 C ATOM 635 OG SER A 39 -4.811 -5.617 8.111 1.00 0.00 O ATOM 0 H SER A 39 -3.909 -7.133 6.370 1.00 0.00 H new ATOM 0 HA SER A 39 -5.734 -8.835 7.824 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.871 -6.873 9.344 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.215 -7.355 9.031 1.00 0.00 H new ATOM 0 HG SER A 39 -3.936 -5.614 7.669 1.00 0.00 H new ATOM 641 N ARG A 40 -6.864 -6.249 6.110 1.00 0.00 N ATOM 642 CA ARG A 40 -8.064 -5.669 5.519 1.00 0.00 C ATOM 643 C ARG A 40 -8.533 -6.501 4.335 1.00 0.00 C ATOM 644 O ARG A 40 -9.705 -6.489 3.977 1.00 0.00 O ATOM 645 CB ARG A 40 -7.803 -4.211 5.122 1.00 0.00 C ATOM 646 CG ARG A 40 -7.499 -3.358 6.329 1.00 0.00 C ATOM 647 CD ARG A 40 -7.177 -1.925 5.978 1.00 0.00 C ATOM 648 NE ARG A 40 -8.371 -1.085 6.026 1.00 0.00 N ATOM 649 CZ ARG A 40 -8.422 0.100 6.637 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.325 0.637 7.163 1.00 0.00 N ATOM 651 NH2 ARG A 40 -9.577 0.747 6.741 1.00 0.00 N ATOM 0 H ARG A 40 -6.001 -5.757 5.878 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.865 -5.676 6.258 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.968 -4.166 4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.674 -3.812 4.603 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.355 -3.377 7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.657 -3.791 6.869 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.430 -1.538 6.671 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.740 -1.882 4.980 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.215 -1.424 5.565 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.435 0.142 7.101 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.374 1.543 7.628 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.427 0.338 6.353 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.614 1.653 7.209 1.00 0.00 H new ATOM 665 N GLU A 41 -7.610 -7.245 3.759 1.00 0.00 N ATOM 666 CA GLU A 41 -7.904 -8.178 2.686 1.00 0.00 C ATOM 667 C GLU A 41 -7.638 -9.599 3.168 1.00 0.00 C ATOM 668 O GLU A 41 -6.627 -10.198 2.797 1.00 0.00 O ATOM 669 CB GLU A 41 -7.000 -7.917 1.485 1.00 0.00 C ATOM 670 CG GLU A 41 -6.868 -6.461 1.101 1.00 0.00 C ATOM 671 CD GLU A 41 -8.147 -5.882 0.527 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.910 -6.634 -0.121 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.414 -4.678 0.743 1.00 0.00 O ATOM 0 H GLU A 41 -6.625 -7.220 4.024 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.947 -8.050 2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.008 -8.314 1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.386 -8.471 0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.576 -5.884 1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.067 -6.355 0.369 1.00 0.00 H new ATOM 680 N PRO A 42 -8.522 -10.175 3.995 1.00 0.00 N ATOM 681 CA PRO A 42 -8.280 -11.491 4.588 1.00 0.00 C ATOM 682 C PRO A 42 -8.276 -12.605 3.543 1.00 0.00 C ATOM 683 O PRO A 42 -7.943 -13.752 3.838 1.00 0.00 O ATOM 684 CB PRO A 42 -9.441 -11.679 5.571 1.00 0.00 C ATOM 685 CG PRO A 42 -10.069 -10.333 5.712 1.00 0.00 C ATOM 686 CD PRO A 42 -9.813 -9.618 4.419 1.00 0.00 C ATOM 0 HA PRO A 42 -7.301 -11.541 5.065 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.158 -12.409 5.196 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.085 -12.048 6.533 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.138 -10.420 5.904 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.638 -9.787 6.551 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.598 -9.810 3.687 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.763 -8.538 4.556 1.00 0.00 H new ATOM 694 N SER A 43 -8.640 -12.250 2.319 1.00 0.00 N ATOM 695 CA SER A 43 -8.640 -13.182 1.208 1.00 0.00 C ATOM 696 C SER A 43 -7.217 -13.456 0.723 1.00 0.00 C ATOM 697 O SER A 43 -6.977 -14.402 -0.030 1.00 0.00 O ATOM 698 CB SER A 43 -9.494 -12.617 0.073 1.00 0.00 C ATOM 699 OG SER A 43 -9.259 -11.227 -0.091 1.00 0.00 O ATOM 0 H SER A 43 -8.943 -11.308 2.072 1.00 0.00 H new ATOM 0 HA SER A 43 -9.064 -14.129 1.542 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.266 -13.141 -0.855 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.549 -12.789 0.285 1.00 0.00 H new ATOM 0 HG SER A 43 -9.814 -10.886 -0.823 1.00 0.00 H new ATOM 705 N LEU A 44 -6.274 -12.622 1.152 1.00 0.00 N ATOM 706 CA LEU A 44 -4.879 -12.815 0.796 1.00 0.00 C ATOM 707 C LEU A 44 -4.014 -12.984 2.047 1.00 0.00 C ATOM 708 O LEU A 44 -2.808 -12.754 2.022 1.00 0.00 O ATOM 709 CB LEU A 44 -4.386 -11.658 -0.095 1.00 0.00 C ATOM 710 CG LEU A 44 -4.471 -10.251 0.474 1.00 0.00 C ATOM 711 CD1 LEU A 44 -3.163 -9.867 1.127 1.00 0.00 C ATOM 712 CD2 LEU A 44 -4.817 -9.265 -0.627 1.00 0.00 C ATOM 0 H LEU A 44 -6.453 -11.811 1.744 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.789 -13.735 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.346 -11.853 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.957 -11.681 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.256 -10.226 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.240 -8.857 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.942 -10.564 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.363 -9.903 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.876 -8.260 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.046 -9.294 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.778 -9.532 -1.066 1.00 0.00 H new ATOM 724 N LYS A 45 -4.633 -13.430 3.137 1.00 0.00 N ATOM 725 CA LYS A 45 -3.908 -13.662 4.386 1.00 0.00 C ATOM 726 C LYS A 45 -3.043 -14.917 4.282 1.00 0.00 C ATOM 727 O LYS A 45 -2.167 -15.146 5.112 1.00 0.00 O ATOM 728 CB LYS A 45 -4.868 -13.785 5.573 1.00 0.00 C ATOM 729 CG LYS A 45 -5.632 -15.096 5.636 1.00 0.00 C ATOM 730 CD LYS A 45 -6.457 -15.221 6.909 1.00 0.00 C ATOM 731 CE LYS A 45 -5.579 -15.513 8.116 1.00 0.00 C ATOM 732 NZ LYS A 45 -4.919 -14.293 8.666 1.00 0.00 N ATOM 0 H LYS A 45 -5.631 -13.638 3.182 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.263 -12.800 4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.301 -13.666 6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.584 -12.964 5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.290 -15.173 4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.929 -15.927 5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.012 -14.298 7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.192 -16.018 6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.185 -15.974 8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.815 -16.238 7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.914 -14.292 8.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.380 -13.445 8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.003 -14.290 9.703 1.00 0.00 H new ATOM 746 N ASN A 46 -3.304 -15.731 3.262 1.00 0.00 N ATOM 747 CA ASN A 46 -2.500 -16.919 3.001 1.00 0.00 C ATOM 748 C ASN A 46 -1.139 -16.517 2.432 1.00 0.00 C ATOM 749 O ASN A 46 -0.179 -17.291 2.461 1.00 0.00 O ATOM 750 CB ASN A 46 -3.240 -17.850 2.030 1.00 0.00 C ATOM 751 CG ASN A 46 -2.516 -19.162 1.799 1.00 0.00 C ATOM 752 OD1 ASN A 46 -2.675 -20.113 2.561 1.00 0.00 O ATOM 753 ND2 ASN A 46 -1.733 -19.233 0.735 1.00 0.00 N ATOM 0 H ASN A 46 -4.068 -15.588 2.602 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.338 -17.453 3.937 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.237 -18.055 2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.371 -17.341 1.075 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.236 -20.099 0.524 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.626 -18.422 0.126 1.00 0.00 H new ATOM 760 N SER A 47 -1.068 -15.291 1.938 1.00 0.00 N ATOM 761 CA SER A 47 0.162 -14.751 1.377 1.00 0.00 C ATOM 762 C SER A 47 1.185 -14.474 2.477 1.00 0.00 C ATOM 763 O SER A 47 0.826 -14.113 3.600 1.00 0.00 O ATOM 764 CB SER A 47 -0.144 -13.471 0.601 1.00 0.00 C ATOM 765 OG SER A 47 -0.972 -13.744 -0.519 1.00 0.00 O ATOM 0 H SER A 47 -1.857 -14.644 1.914 1.00 0.00 H new ATOM 0 HA SER A 47 0.589 -15.488 0.697 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.637 -12.753 1.256 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.787 -13.012 0.267 1.00 0.00 H new ATOM 0 HG SER A 47 -1.157 -12.910 -1.000 1.00 0.00 H new ATOM 771 N ASN A 48 2.457 -14.665 2.149 1.00 0.00 N ATOM 772 CA ASN A 48 3.540 -14.415 3.091 1.00 0.00 C ATOM 773 C ASN A 48 3.756 -12.917 3.235 1.00 0.00 C ATOM 774 O ASN A 48 3.815 -12.197 2.239 1.00 0.00 O ATOM 775 CB ASN A 48 4.846 -15.048 2.606 1.00 0.00 C ATOM 776 CG ASN A 48 4.729 -16.525 2.281 1.00 0.00 C ATOM 777 OD1 ASN A 48 4.366 -16.896 1.165 1.00 0.00 O ATOM 778 ND2 ASN A 48 5.062 -17.378 3.234 1.00 0.00 N ATOM 0 H ASN A 48 2.764 -14.994 1.234 1.00 0.00 H new ATOM 0 HA ASN A 48 3.262 -14.856 4.048 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.188 -14.517 1.718 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.610 -14.914 3.372 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.023 -18.382 3.057 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.358 -17.033 4.147 1.00 0.00 H new ATOM 785 N PRO A 49 3.906 -12.435 4.476 1.00 0.00 N ATOM 786 CA PRO A 49 4.081 -11.008 4.760 1.00 0.00 C ATOM 787 C PRO A 49 5.350 -10.427 4.140 1.00 0.00 C ATOM 788 O PRO A 49 5.488 -9.215 4.002 1.00 0.00 O ATOM 789 CB PRO A 49 4.165 -10.943 6.287 1.00 0.00 C ATOM 790 CG PRO A 49 4.501 -12.322 6.727 1.00 0.00 C ATOM 791 CD PRO A 49 3.896 -13.243 5.708 1.00 0.00 C ATOM 0 HA PRO A 49 3.265 -10.422 4.337 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.927 -10.232 6.608 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.220 -10.613 6.718 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.581 -12.460 6.785 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.100 -12.523 7.720 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.479 -14.157 5.595 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.885 -13.542 5.985 1.00 0.00 H new ATOM 799 N ASP A 50 6.280 -11.294 3.780 1.00 0.00 N ATOM 800 CA ASP A 50 7.534 -10.853 3.187 1.00 0.00 C ATOM 801 C ASP A 50 7.567 -11.126 1.691 1.00 0.00 C ATOM 802 O ASP A 50 8.599 -10.951 1.046 1.00 0.00 O ATOM 803 CB ASP A 50 8.720 -11.533 3.873 1.00 0.00 C ATOM 804 CG ASP A 50 8.882 -11.091 5.311 1.00 0.00 C ATOM 805 OD1 ASP A 50 9.520 -10.044 5.547 1.00 0.00 O ATOM 806 OD2 ASP A 50 8.363 -11.783 6.213 1.00 0.00 O ATOM 0 H ASP A 50 6.193 -12.305 3.887 1.00 0.00 H new ATOM 0 HA ASP A 50 7.609 -9.776 3.335 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.585 -12.614 3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.633 -11.309 3.321 1.00 0.00 H new ATOM 811 N GLU A 51 6.439 -11.561 1.143 1.00 0.00 N ATOM 812 CA GLU A 51 6.332 -11.843 -0.272 1.00 0.00 C ATOM 813 C GLU A 51 4.991 -11.358 -0.794 1.00 0.00 C ATOM 814 O GLU A 51 4.455 -11.893 -1.765 1.00 0.00 O ATOM 815 CB GLU A 51 6.467 -13.339 -0.512 1.00 0.00 C ATOM 816 CG GLU A 51 7.901 -13.839 -0.562 1.00 0.00 C ATOM 817 CD GLU A 51 7.988 -15.344 -0.680 1.00 0.00 C ATOM 818 OE1 GLU A 51 7.189 -15.931 -1.438 1.00 0.00 O ATOM 819 OE2 GLU A 51 8.863 -15.949 -0.025 1.00 0.00 O ATOM 0 H GLU A 51 5.580 -11.726 1.669 1.00 0.00 H new ATOM 0 HA GLU A 51 7.131 -11.323 -0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.937 -13.871 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.974 -13.590 -1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.412 -13.382 -1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.426 -13.518 0.338 1.00 0.00 H new ATOM 826 N ILE A 52 4.447 -10.345 -0.135 1.00 0.00 N ATOM 827 CA ILE A 52 3.110 -9.871 -0.439 1.00 0.00 C ATOM 828 C ILE A 52 3.031 -9.294 -1.839 1.00 0.00 C ATOM 829 O ILE A 52 4.023 -8.841 -2.409 1.00 0.00 O ATOM 830 CB ILE A 52 2.614 -8.841 0.601 1.00 0.00 C ATOM 831 CG1 ILE A 52 1.101 -8.961 0.783 1.00 0.00 C ATOM 832 CG2 ILE A 52 2.969 -7.425 0.188 1.00 0.00 C ATOM 833 CD1 ILE A 52 0.657 -10.324 1.223 1.00 0.00 C ATOM 0 H ILE A 52 4.915 -9.836 0.615 1.00 0.00 H new ATOM 0 HA ILE A 52 2.450 -10.737 -0.390 1.00 0.00 H new ATOM 0 HB ILE A 52 3.112 -9.057 1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.772 -8.226 1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.609 -8.714 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.606 -6.725 0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.051 -7.333 0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.505 -7.199 -0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.427 -10.336 1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.955 -11.062 0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.120 -10.566 2.179 1.00 0.00 H new ATOM 845 N GLU A 53 1.846 -9.359 -2.394 1.00 0.00 N ATOM 846 CA GLU A 53 1.592 -8.826 -3.714 1.00 0.00 C ATOM 847 C GLU A 53 0.432 -7.840 -3.594 1.00 0.00 C ATOM 848 O GLU A 53 -0.735 -8.233 -3.553 1.00 0.00 O ATOM 849 CB GLU A 53 1.289 -9.996 -4.676 1.00 0.00 C ATOM 850 CG GLU A 53 1.398 -9.686 -6.163 1.00 0.00 C ATOM 851 CD GLU A 53 0.207 -8.934 -6.704 1.00 0.00 C ATOM 852 OE1 GLU A 53 -0.869 -9.555 -6.858 1.00 0.00 O ATOM 853 OE2 GLU A 53 0.347 -7.737 -6.997 1.00 0.00 O ATOM 0 H GLU A 53 1.032 -9.781 -1.947 1.00 0.00 H new ATOM 0 HA GLU A 53 2.453 -8.296 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.970 -10.815 -4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.280 -10.354 -4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.300 -9.100 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.511 -10.619 -6.714 1.00 0.00 H new ATOM 860 N ILE A 54 0.773 -6.561 -3.475 1.00 0.00 N ATOM 861 CA ILE A 54 -0.202 -5.508 -3.299 1.00 0.00 C ATOM 862 C ILE A 54 -0.987 -5.290 -4.591 1.00 0.00 C ATOM 863 O ILE A 54 -0.478 -4.693 -5.544 1.00 0.00 O ATOM 864 CB ILE A 54 0.496 -4.189 -2.923 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.400 -4.361 -1.696 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.525 -3.100 -2.683 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.999 -3.053 -1.221 1.00 0.00 C ATOM 0 H ILE A 54 1.738 -6.232 -3.499 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.880 -5.808 -2.500 1.00 0.00 H new ATOM 0 HB ILE A 54 1.129 -3.897 -3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.824 -4.807 -0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.203 -5.057 -1.937 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.014 -2.174 -2.418 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.111 -2.945 -3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.187 -3.395 -1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.629 -3.236 -0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.600 -2.617 -2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.199 -2.363 -0.951 1.00 0.00 H new ATOM 879 N ASP A 55 -2.218 -5.769 -4.618 1.00 0.00 N ATOM 880 CA ASP A 55 -3.068 -5.614 -5.793 1.00 0.00 C ATOM 881 C ASP A 55 -4.067 -4.494 -5.558 1.00 0.00 C ATOM 882 O ASP A 55 -5.067 -4.676 -4.864 1.00 0.00 O ATOM 883 CB ASP A 55 -3.805 -6.917 -6.108 1.00 0.00 C ATOM 884 CG ASP A 55 -4.640 -6.812 -7.368 1.00 0.00 C ATOM 885 OD1 ASP A 55 -5.809 -6.379 -7.280 1.00 0.00 O ATOM 886 OD2 ASP A 55 -4.139 -7.178 -8.451 1.00 0.00 O ATOM 0 H ASP A 55 -2.654 -6.268 -3.843 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.438 -5.364 -6.647 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.081 -7.724 -6.220 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.448 -7.181 -5.269 1.00 0.00 H new ATOM 891 N PHE A 56 -3.805 -3.348 -6.161 1.00 0.00 N ATOM 892 CA PHE A 56 -4.539 -2.127 -5.856 1.00 0.00 C ATOM 893 C PHE A 56 -5.958 -2.134 -6.422 1.00 0.00 C ATOM 894 O PHE A 56 -6.750 -1.235 -6.140 1.00 0.00 O ATOM 895 CB PHE A 56 -3.760 -0.920 -6.367 1.00 0.00 C ATOM 896 CG PHE A 56 -2.430 -0.760 -5.687 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.361 -0.203 -4.427 1.00 0.00 C ATOM 898 CD2 PHE A 56 -1.258 -1.172 -6.296 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.166 -0.051 -3.781 1.00 0.00 C ATOM 900 CE2 PHE A 56 -0.047 -1.023 -5.649 1.00 0.00 C ATOM 901 CZ PHE A 56 -0.005 -0.458 -4.387 1.00 0.00 C ATOM 0 H PHE A 56 -3.083 -3.235 -6.872 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.641 -2.067 -4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.605 -1.021 -7.441 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.353 -0.018 -6.214 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.270 0.120 -3.941 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.290 -1.612 -7.282 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.136 0.389 -2.795 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.865 -1.347 -6.127 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.941 -0.338 -3.880 1.00 0.00 H new ATOM 911 N GLU A 57 -6.280 -3.148 -7.211 1.00 0.00 N ATOM 912 CA GLU A 57 -7.626 -3.293 -7.748 1.00 0.00 C ATOM 913 C GLU A 57 -8.526 -4.016 -6.760 1.00 0.00 C ATOM 914 O GLU A 57 -9.705 -3.682 -6.613 1.00 0.00 O ATOM 915 CB GLU A 57 -7.597 -4.042 -9.077 1.00 0.00 C ATOM 916 CG GLU A 57 -7.139 -3.181 -10.237 1.00 0.00 C ATOM 917 CD GLU A 57 -8.063 -2.004 -10.484 1.00 0.00 C ATOM 918 OE1 GLU A 57 -7.844 -0.925 -9.895 1.00 0.00 O ATOM 919 OE2 GLU A 57 -9.024 -2.153 -11.270 1.00 0.00 O ATOM 0 H GLU A 57 -5.630 -3.881 -7.494 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.030 -2.295 -7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.934 -4.902 -8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.594 -4.428 -9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.132 -2.813 -10.038 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.083 -3.791 -11.139 1.00 0.00 H new ATOM 926 N THR A 58 -7.969 -5.004 -6.083 1.00 0.00 N ATOM 927 CA THR A 58 -8.723 -5.779 -5.118 1.00 0.00 C ATOM 928 C THR A 58 -8.699 -5.117 -3.747 1.00 0.00 C ATOM 929 O THR A 58 -9.636 -5.275 -2.962 1.00 0.00 O ATOM 930 CB THR A 58 -8.189 -7.218 -5.024 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.760 -7.206 -4.920 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.605 -8.022 -6.244 1.00 0.00 C ATOM 0 H THR A 58 -6.995 -5.288 -6.185 1.00 0.00 H new ATOM 0 HA THR A 58 -9.756 -5.818 -5.464 1.00 0.00 H new ATOM 0 HB THR A 58 -8.612 -7.684 -4.134 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.368 -7.080 -5.810 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.218 -9.038 -6.160 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.693 -8.052 -6.306 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.203 -7.554 -7.143 1.00 0.00 H new ATOM 940 N LEU A 59 -7.628 -4.372 -3.469 1.00 0.00 N ATOM 941 CA LEU A 59 -7.533 -3.600 -2.241 1.00 0.00 C ATOM 942 C LEU A 59 -8.704 -2.647 -2.135 1.00 0.00 C ATOM 943 O LEU A 59 -8.938 -1.825 -3.025 1.00 0.00 O ATOM 944 CB LEU A 59 -6.231 -2.828 -2.184 1.00 0.00 C ATOM 945 CG LEU A 59 -4.995 -3.702 -2.144 1.00 0.00 C ATOM 946 CD1 LEU A 59 -3.755 -2.860 -2.011 1.00 0.00 C ATOM 947 CD2 LEU A 59 -5.096 -4.699 -1.007 1.00 0.00 C ATOM 0 H LEU A 59 -6.817 -4.291 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.556 -4.294 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.171 -2.173 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.239 -2.188 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.927 -4.255 -3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.878 -3.506 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.681 -2.184 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.807 -2.279 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.202 -5.322 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.186 -4.164 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.974 -5.329 -1.152 1.00 0.00 H new ATOM 959 N LYS A 60 -9.452 -2.782 -1.063 1.00 0.00 N ATOM 960 CA LYS A 60 -10.609 -1.946 -0.835 1.00 0.00 C ATOM 961 C LYS A 60 -10.185 -0.502 -0.605 1.00 0.00 C ATOM 962 O LYS A 60 -9.078 -0.262 -0.113 1.00 0.00 O ATOM 963 CB LYS A 60 -11.399 -2.481 0.359 1.00 0.00 C ATOM 964 CG LYS A 60 -12.103 -3.790 0.064 1.00 0.00 C ATOM 965 CD LYS A 60 -12.675 -4.424 1.319 1.00 0.00 C ATOM 966 CE LYS A 60 -11.577 -5.040 2.194 1.00 0.00 C ATOM 967 NZ LYS A 60 -11.067 -6.318 1.630 1.00 0.00 N ATOM 0 H LYS A 60 -9.277 -3.469 -0.330 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.249 -1.969 -1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.723 -2.621 1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.137 -1.738 0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.906 -3.616 -0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.402 -4.481 -0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.218 -3.672 1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.395 -5.194 1.042 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.753 -4.333 2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.968 -5.216 3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.363 -6.727 2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.856 -6.985 1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.624 -6.138 0.706 1.00 0.00 H new ATOM 981 N PRO A 61 -11.023 0.477 -0.993 1.00 0.00 N ATOM 982 CA PRO A 61 -10.734 1.893 -0.770 1.00 0.00 C ATOM 983 C PRO A 61 -10.207 2.152 0.638 1.00 0.00 C ATOM 984 O PRO A 61 -9.279 2.941 0.832 1.00 0.00 O ATOM 985 CB PRO A 61 -12.090 2.568 -0.970 1.00 0.00 C ATOM 986 CG PRO A 61 -12.824 1.682 -1.912 1.00 0.00 C ATOM 987 CD PRO A 61 -12.296 0.281 -1.706 1.00 0.00 C ATOM 0 HA PRO A 61 -9.959 2.267 -1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.624 2.669 -0.025 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.975 3.571 -1.380 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.897 1.721 -1.722 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.671 2.004 -2.942 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.990 -0.325 -1.123 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.146 -0.232 -2.656 1.00 0.00 H new ATOM 995 N SER A 62 -10.793 1.453 1.608 1.00 0.00 N ATOM 996 CA SER A 62 -10.361 1.526 2.994 1.00 0.00 C ATOM 997 C SER A 62 -8.863 1.242 3.123 1.00 0.00 C ATOM 998 O SER A 62 -8.125 2.032 3.715 1.00 0.00 O ATOM 999 CB SER A 62 -11.152 0.523 3.828 1.00 0.00 C ATOM 1000 OG SER A 62 -12.538 0.597 3.544 1.00 0.00 O ATOM 0 H SER A 62 -11.579 0.822 1.451 1.00 0.00 H new ATOM 0 HA SER A 62 -10.546 2.536 3.359 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.791 -0.486 3.627 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.985 0.716 4.888 1.00 0.00 H new ATOM 0 HG SER A 62 -13.020 -0.058 4.091 1.00 0.00 H new ATOM 1006 N THR A 63 -8.417 0.122 2.556 1.00 0.00 N ATOM 1007 CA THR A 63 -7.014 -0.263 2.624 1.00 0.00 C ATOM 1008 C THR A 63 -6.158 0.738 1.874 1.00 0.00 C ATOM 1009 O THR A 63 -5.179 1.234 2.410 1.00 0.00 O ATOM 1010 CB THR A 63 -6.781 -1.671 2.030 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.926 -2.496 2.295 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.533 -2.331 2.618 1.00 0.00 C ATOM 0 H THR A 63 -9.009 -0.533 2.045 1.00 0.00 H new ATOM 0 HA THR A 63 -6.732 -0.279 3.677 1.00 0.00 H new ATOM 0 HB THR A 63 -6.632 -1.564 0.956 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.879 -3.307 1.747 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.402 -3.319 2.177 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.659 -1.717 2.399 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.647 -2.428 3.698 1.00 0.00 H new ATOM 1020 N LEU A 64 -6.559 1.058 0.650 1.00 0.00 N ATOM 1021 CA LEU A 64 -5.794 1.960 -0.201 1.00 0.00 C ATOM 1022 C LEU A 64 -5.573 3.311 0.471 1.00 0.00 C ATOM 1023 O LEU A 64 -4.452 3.819 0.497 1.00 0.00 O ATOM 1024 CB LEU A 64 -6.511 2.149 -1.534 1.00 0.00 C ATOM 1025 CG LEU A 64 -6.632 0.895 -2.391 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -7.512 1.169 -3.592 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.258 0.425 -2.830 1.00 0.00 C ATOM 0 H LEU A 64 -7.415 0.704 0.223 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.816 1.511 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.512 2.533 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.983 2.911 -2.107 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.092 0.104 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.592 0.266 -4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.504 1.469 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.074 1.969 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.358 -0.472 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.774 1.209 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.653 0.199 -1.952 1.00 0.00 H new ATOM 1039 N ARG A 65 -6.638 3.888 1.026 1.00 0.00 N ATOM 1040 CA ARG A 65 -6.529 5.164 1.721 1.00 0.00 C ATOM 1041 C ARG A 65 -5.623 5.032 2.939 1.00 0.00 C ATOM 1042 O ARG A 65 -4.969 5.992 3.338 1.00 0.00 O ATOM 1043 CB ARG A 65 -7.907 5.683 2.137 1.00 0.00 C ATOM 1044 CG ARG A 65 -8.779 6.144 0.973 1.00 0.00 C ATOM 1045 CD ARG A 65 -8.198 7.367 0.267 1.00 0.00 C ATOM 1046 NE ARG A 65 -8.981 7.741 -0.913 1.00 0.00 N ATOM 1047 CZ ARG A 65 -8.538 8.529 -1.901 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -7.339 9.095 -1.836 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.302 8.758 -2.958 1.00 0.00 N ATOM 0 H ARG A 65 -7.578 3.493 1.007 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.088 5.885 1.033 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.431 4.896 2.679 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.776 6.514 2.830 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.886 5.330 0.257 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.778 6.379 1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.166 8.206 0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -7.170 7.160 -0.030 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.930 7.376 -0.987 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.741 8.932 -1.026 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.015 9.693 -2.596 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.228 8.334 -3.020 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.965 9.358 -3.711 1.00 0.00 H new ATOM 1063 N GLU A 66 -5.576 3.836 3.516 1.00 0.00 N ATOM 1064 CA GLU A 66 -4.692 3.563 4.635 1.00 0.00 C ATOM 1065 C GLU A 66 -3.245 3.451 4.156 1.00 0.00 C ATOM 1066 O GLU A 66 -2.380 4.164 4.647 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.128 2.277 5.339 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.214 1.856 6.470 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.191 2.853 7.607 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -5.231 3.012 8.281 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.145 3.488 7.831 1.00 0.00 O ATOM 0 H GLU A 66 -6.143 3.040 3.223 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.752 4.388 5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.136 2.413 5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.177 1.472 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.536 0.886 6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.202 1.728 6.085 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.004 2.559 3.191 1.00 0.00 N ATOM 1079 CA LEU A 67 -1.680 2.369 2.589 1.00 0.00 C ATOM 1080 C LEU A 67 -1.056 3.717 2.223 1.00 0.00 C ATOM 1081 O LEU A 67 0.052 4.027 2.658 1.00 0.00 O ATOM 1082 CB LEU A 67 -1.805 1.480 1.340 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.701 0.259 1.519 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -2.915 -0.438 0.198 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -2.090 -0.706 2.515 1.00 0.00 C ATOM 0 H LEU A 67 -3.722 1.947 2.804 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.029 1.880 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.193 2.082 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.810 1.145 1.047 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.665 0.597 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.557 -1.307 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.389 0.249 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.954 -0.760 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.743 -1.571 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.115 -1.033 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.973 -0.209 3.478 1.00 0.00 H new ATOM 1097 N GLU A 68 -1.796 4.527 1.465 1.00 0.00 N ATOM 1098 CA GLU A 68 -1.329 5.853 1.061 1.00 0.00 C ATOM 1099 C GLU A 68 -1.019 6.724 2.280 1.00 0.00 C ATOM 1100 O GLU A 68 0.108 7.163 2.478 1.00 0.00 O ATOM 1101 CB GLU A 68 -2.386 6.554 0.209 1.00 0.00 C ATOM 1102 CG GLU A 68 -1.932 7.898 -0.328 1.00 0.00 C ATOM 1103 CD GLU A 68 -3.074 8.725 -0.866 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -3.784 9.356 -0.053 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -3.266 8.761 -2.097 1.00 0.00 O ATOM 0 H GLU A 68 -2.724 4.287 1.118 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.417 5.716 0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.654 5.909 -0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.288 6.695 0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.430 8.451 0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.199 7.740 -1.119 1.00 0.00 H new ATOM 1112 N ARG A 69 -2.030 6.965 3.102 1.00 0.00 N ATOM 1113 CA ARG A 69 -1.879 7.797 4.293 1.00 0.00 C ATOM 1114 C ARG A 69 -0.767 7.280 5.196 1.00 0.00 C ATOM 1115 O ARG A 69 -0.105 8.048 5.898 1.00 0.00 O ATOM 1116 CB ARG A 69 -3.195 7.827 5.051 1.00 0.00 C ATOM 1117 CG ARG A 69 -4.184 8.847 4.514 1.00 0.00 C ATOM 1118 CD ARG A 69 -4.104 10.162 5.268 1.00 0.00 C ATOM 1119 NE ARG A 69 -2.787 10.785 5.170 1.00 0.00 N ATOM 1120 CZ ARG A 69 -2.334 11.687 6.037 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -3.102 12.078 7.048 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -1.119 12.196 5.895 1.00 0.00 N ATOM 0 H ARG A 69 -2.971 6.595 2.967 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.607 8.805 3.980 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.650 6.837 5.012 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.995 8.045 6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.987 9.022 3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.195 8.447 4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.856 10.847 4.877 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.344 9.990 6.317 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.182 10.514 4.395 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.037 11.687 7.159 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.756 12.769 7.713 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.528 11.897 5.119 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.775 12.887 6.561 1.00 0.00 H new ATOM 1136 N TYR A 70 -0.546 5.985 5.153 1.00 0.00 N ATOM 1137 CA TYR A 70 0.491 5.371 5.942 1.00 0.00 C ATOM 1138 C TYR A 70 1.855 5.776 5.414 1.00 0.00 C ATOM 1139 O TYR A 70 2.706 6.260 6.163 1.00 0.00 O ATOM 1140 CB TYR A 70 0.349 3.855 5.925 1.00 0.00 C ATOM 1141 CG TYR A 70 1.565 3.165 6.455 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.988 3.358 7.765 1.00 0.00 C ATOM 1143 CD2 TYR A 70 2.306 2.342 5.635 1.00 0.00 C ATOM 1144 CE1 TYR A 70 3.124 2.743 8.237 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.444 1.725 6.095 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.849 1.927 7.400 1.00 0.00 C ATOM 1147 OH TYR A 70 4.987 1.320 7.866 1.00 0.00 O ATOM 0 H TYR A 70 -1.077 5.335 4.574 1.00 0.00 H new ATOM 0 HA TYR A 70 0.394 5.715 6.972 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.518 3.567 6.520 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.160 3.521 4.905 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.417 3.999 8.421 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.988 2.180 4.616 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.444 2.899 9.257 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.018 1.086 5.440 1.00 0.00 H new ATOM 0 HH TYR A 70 5.365 0.751 7.163 1.00 0.00 H new ATOM 1157 N VAL A 71 2.060 5.609 4.116 1.00 0.00 N ATOM 1158 CA VAL A 71 3.332 5.964 3.522 1.00 0.00 C ATOM 1159 C VAL A 71 3.575 7.452 3.703 1.00 0.00 C ATOM 1160 O VAL A 71 4.700 7.872 3.909 1.00 0.00 O ATOM 1161 CB VAL A 71 3.415 5.640 2.017 1.00 0.00 C ATOM 1162 CG1 VAL A 71 2.935 4.240 1.708 1.00 0.00 C ATOM 1163 CG2 VAL A 71 2.650 6.642 1.202 1.00 0.00 C ATOM 0 H VAL A 71 1.370 5.235 3.465 1.00 0.00 H new ATOM 0 HA VAL A 71 4.089 5.367 4.031 1.00 0.00 H new ATOM 0 HB VAL A 71 4.468 5.698 1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.012 4.057 0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.550 3.518 2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.896 4.134 2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.727 6.387 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.602 6.631 1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.064 7.637 1.366 1.00 0.00 H new ATOM 1173 N THR A 72 2.504 8.247 3.663 1.00 0.00 N ATOM 1174 CA THR A 72 2.646 9.690 3.723 1.00 0.00 C ATOM 1175 C THR A 72 3.206 10.128 5.069 1.00 0.00 C ATOM 1176 O THR A 72 3.805 11.196 5.187 1.00 0.00 O ATOM 1177 CB THR A 72 1.327 10.431 3.430 1.00 0.00 C ATOM 1178 OG1 THR A 72 0.326 10.125 4.407 1.00 0.00 O ATOM 1179 CG2 THR A 72 0.837 10.053 2.051 1.00 0.00 C ATOM 0 H THR A 72 1.542 7.914 3.590 1.00 0.00 H new ATOM 0 HA THR A 72 3.351 9.962 2.937 1.00 0.00 H new ATOM 0 HB THR A 72 1.517 11.503 3.475 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.596 9.331 4.915 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.096 10.576 1.841 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.585 10.333 1.310 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.668 8.977 2.007 1.00 0.00 H new ATOM 1187 N SER A 73 3.030 9.279 6.076 1.00 0.00 N ATOM 1188 CA SER A 73 3.582 9.538 7.394 1.00 0.00 C ATOM 1189 C SER A 73 5.099 9.319 7.374 1.00 0.00 C ATOM 1190 O SER A 73 5.829 9.854 8.205 1.00 0.00 O ATOM 1191 CB SER A 73 2.912 8.632 8.434 1.00 0.00 C ATOM 1192 OG SER A 73 3.429 7.312 8.389 1.00 0.00 O ATOM 0 H SER A 73 2.508 8.406 6.001 1.00 0.00 H new ATOM 0 HA SER A 73 3.386 10.574 7.669 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.062 9.048 9.430 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.837 8.608 8.257 1.00 0.00 H new ATOM 0 HG SER A 73 3.467 7.007 7.458 1.00 0.00 H new ATOM 1198 N CYS A 74 5.558 8.512 6.421 1.00 0.00 N ATOM 1199 CA CYS A 74 6.990 8.248 6.252 1.00 0.00 C ATOM 1200 C CYS A 74 7.582 9.097 5.123 1.00 0.00 C ATOM 1201 O CYS A 74 8.775 9.401 5.117 1.00 0.00 O ATOM 1202 CB CYS A 74 7.239 6.755 5.977 1.00 0.00 C ATOM 1203 SG CYS A 74 8.976 6.327 5.708 1.00 0.00 S ATOM 0 H CYS A 74 4.960 8.027 5.751 1.00 0.00 H new ATOM 0 HA CYS A 74 7.488 8.522 7.182 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.860 6.175 6.818 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.664 6.458 5.100 1.00 0.00 H new ATOM 0 HG CYS A 74 9.639 7.394 5.373 1.00 0.00 H new ATOM 1209 N LEU A 75 6.744 9.473 4.167 1.00 0.00 N ATOM 1210 CA LEU A 75 7.204 10.136 2.957 1.00 0.00 C ATOM 1211 C LEU A 75 6.974 11.642 3.001 1.00 0.00 C ATOM 1212 O LEU A 75 7.913 12.421 2.849 1.00 0.00 O ATOM 1213 CB LEU A 75 6.476 9.533 1.751 1.00 0.00 C ATOM 1214 CG LEU A 75 6.582 8.019 1.622 1.00 0.00 C ATOM 1215 CD1 LEU A 75 6.031 7.571 0.282 1.00 0.00 C ATOM 1216 CD2 LEU A 75 8.025 7.561 1.794 1.00 0.00 C ATOM 0 H LEU A 75 5.735 9.328 4.208 1.00 0.00 H new ATOM 0 HA LEU A 75 8.279 9.978 2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.422 9.804 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.872 9.988 0.843 1.00 0.00 H new ATOM 0 HG LEU A 75 5.989 7.560 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.111 6.487 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.984 7.864 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.601 8.039 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.076 6.476 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.647 8.023 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.385 7.855 2.780 1.00 0.00 H new