USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 530 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 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -2.83 F(o=-4.8!,f=-2.8) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 76:sc= 0.844 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.261 F(o=-0.98,f=-0.26) USER MOD Single : A 69 GLN : amide:sc= -0.0549 X(o=-0.055,f=0) USER MOD Single : A 75 MET CE :methyl -108:sc= -3.89! (180deg=-8.19!) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 144 N ILE A 14 5.079 12.372 -4.784 1.00 0.00 N ATOM 145 CA ILE A 14 3.758 11.795 -4.565 1.00 0.00 C ATOM 146 C ILE A 14 3.827 10.612 -3.606 1.00 0.00 C ATOM 147 O ILE A 14 4.701 9.753 -3.722 1.00 0.00 O ATOM 148 CB ILE A 14 3.120 11.332 -5.888 1.00 0.00 C ATOM 149 CG1 ILE A 14 3.006 12.506 -6.863 1.00 0.00 C ATOM 150 CG2 ILE A 14 1.753 10.716 -5.630 1.00 0.00 C ATOM 151 CD1 ILE A 14 2.128 13.628 -6.357 1.00 0.00 C ATOM 0 HA ILE A 14 3.140 12.579 -4.127 1.00 0.00 H new ATOM 0 HB ILE A 14 3.760 10.572 -6.337 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.003 12.898 -7.065 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.608 12.143 -7.811 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.315 10.394 -6.575 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.860 9.857 -4.968 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.103 11.456 -5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.093 14.426 -7.099 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.120 13.251 -6.182 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.537 14.018 -5.425 1.00 0.00 H new ATOM 163 N THR A 15 2.897 10.572 -2.656 1.00 0.00 N ATOM 164 CA THR A 15 2.851 9.494 -1.676 1.00 0.00 C ATOM 165 C THR A 15 1.479 8.830 -1.653 1.00 0.00 C ATOM 166 O THR A 15 0.452 9.505 -1.568 1.00 0.00 O ATOM 167 CB THR A 15 3.185 10.006 -0.262 1.00 0.00 C ATOM 168 OG1 THR A 15 4.419 10.732 -0.283 1.00 0.00 O ATOM 169 CG2 THR A 15 3.287 8.850 0.722 1.00 0.00 C ATOM 0 H THR A 15 2.166 11.274 -2.545 1.00 0.00 H new ATOM 0 HA THR A 15 3.601 8.762 -1.976 1.00 0.00 H new ATOM 0 HB THR A 15 2.381 10.667 0.061 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.624 11.056 0.619 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.524 9.236 1.714 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.337 8.317 0.757 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.074 8.167 0.401 1.00 0.00 H new ATOM 177 N LEU A 16 1.468 7.504 -1.729 1.00 0.00 N ATOM 178 CA LEU A 16 0.221 6.747 -1.716 1.00 0.00 C ATOM 179 C LEU A 16 0.048 6.005 -0.395 1.00 0.00 C ATOM 180 O LEU A 16 0.947 5.293 0.053 1.00 0.00 O ATOM 181 CB LEU A 16 0.191 5.755 -2.879 1.00 0.00 C ATOM 182 CG LEU A 16 -0.141 6.340 -4.252 1.00 0.00 C ATOM 183 CD1 LEU A 16 0.111 5.313 -5.345 1.00 0.00 C ATOM 184 CD2 LEU A 16 -1.584 6.821 -4.292 1.00 0.00 C ATOM 0 H LEU A 16 2.309 6.931 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.604 7.451 -1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.164 5.268 -2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.540 4.980 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 16 0.511 7.195 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.131 5.747 -6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.160 5.017 -5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.515 4.438 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.803 7.234 -5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.252 5.983 -4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.732 7.591 -3.534 1.00 0.00 H new ATOM 196 N LYS A 17 -1.115 6.175 0.225 1.00 0.00 N ATOM 197 CA LYS A 17 -1.409 5.519 1.494 1.00 0.00 C ATOM 198 C LYS A 17 -2.070 4.163 1.265 1.00 0.00 C ATOM 199 O LYS A 17 -3.080 4.063 0.568 1.00 0.00 O ATOM 200 CB LYS A 17 -2.319 6.403 2.350 1.00 0.00 C ATOM 201 CG LYS A 17 -2.781 5.737 3.635 1.00 0.00 C ATOM 202 CD LYS A 17 -3.406 6.740 4.589 1.00 0.00 C ATOM 203 CE LYS A 17 -3.797 6.088 5.907 1.00 0.00 C ATOM 204 NZ LYS A 17 -4.580 7.011 6.773 1.00 0.00 N ATOM 0 H LYS A 17 -1.870 6.762 -0.131 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.467 5.361 2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.789 7.323 2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.193 6.686 1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.505 4.956 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.934 5.252 4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.703 7.551 4.778 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.287 7.184 4.126 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.384 5.191 5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.898 5.770 6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.827 6.529 7.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.011 7.855 6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.451 7.295 6.280 1.00 0.00 H new ATOM 218 N VAL A 18 -1.495 3.122 1.858 1.00 0.00 N ATOM 219 CA VAL A 18 -2.029 1.772 1.721 1.00 0.00 C ATOM 220 C VAL A 18 -2.475 1.218 3.069 1.00 0.00 C ATOM 221 O VAL A 18 -1.652 0.953 3.946 1.00 0.00 O ATOM 222 CB VAL A 18 -0.990 0.817 1.104 1.00 0.00 C ATOM 223 CG1 VAL A 18 -1.614 -0.542 0.826 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.406 1.415 -0.167 1.00 0.00 C ATOM 0 H VAL A 18 -0.659 3.188 2.438 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.890 1.838 1.056 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.179 0.678 1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.865 -1.204 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.980 -0.972 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.445 -0.425 0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.326 0.727 -0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.204 1.584 -0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.079 2.363 0.066 1.00 0.00 H new ATOM 234 N ASP A 19 -3.782 1.045 3.228 1.00 0.00 N ATOM 235 CA ASP A 19 -4.339 0.520 4.470 1.00 0.00 C ATOM 236 C ASP A 19 -4.670 -0.962 4.333 1.00 0.00 C ATOM 237 O ASP A 19 -4.406 -1.575 3.299 1.00 0.00 O ATOM 238 CB ASP A 19 -5.594 1.302 4.862 1.00 0.00 C ATOM 239 CG ASP A 19 -5.800 1.352 6.363 1.00 0.00 C ATOM 240 OD1 ASP A 19 -5.155 0.555 7.078 1.00 0.00 O ATOM 241 OD2 ASP A 19 -6.604 2.188 6.824 1.00 0.00 O ATOM 0 H ASP A 19 -4.476 1.261 2.513 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.589 0.635 5.253 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.521 2.318 4.474 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.465 0.844 4.394 1.00 0.00 H new ATOM 246 N ASN A 20 -5.249 -1.534 5.384 1.00 0.00 N ATOM 247 CA ASN A 20 -5.615 -2.945 5.382 1.00 0.00 C ATOM 248 C ASN A 20 -4.408 -3.820 5.060 1.00 0.00 C ATOM 249 O ASN A 20 -4.485 -4.720 4.223 1.00 0.00 O ATOM 250 CB ASN A 20 -6.731 -3.203 4.368 1.00 0.00 C ATOM 251 CG ASN A 20 -7.258 -4.623 4.436 1.00 0.00 C ATOM 252 OD1 ASN A 20 -7.385 -5.263 3.279 1.00 0.00 O flip ATOM 253 ND2 ASN A 20 -7.548 -5.138 5.516 1.00 0.00 N flip ATOM 0 H ASN A 20 -5.475 -1.041 6.248 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.973 -3.203 6.379 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.549 -2.506 4.548 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.358 -3.005 3.363 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.434 -4.609 6.380 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.902 -6.094 5.546 1.00 0.00 H new ATOM 260 N LEU A 21 -3.293 -3.549 5.729 1.00 0.00 N ATOM 261 CA LEU A 21 -2.067 -4.312 5.515 1.00 0.00 C ATOM 262 C LEU A 21 -1.759 -5.196 6.719 1.00 0.00 C ATOM 263 O LEU A 21 -1.139 -4.753 7.687 1.00 0.00 O ATOM 264 CB LEU A 21 -0.895 -3.366 5.248 1.00 0.00 C ATOM 265 CG LEU A 21 -0.920 -2.626 3.910 1.00 0.00 C ATOM 266 CD1 LEU A 21 0.199 -1.598 3.847 1.00 0.00 C ATOM 267 CD2 LEU A 21 -0.808 -3.610 2.755 1.00 0.00 C ATOM 0 H LEU A 21 -3.212 -2.807 6.424 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.213 -4.953 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.861 -2.627 6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.030 -3.940 5.305 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.872 -2.102 3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.165 -1.082 2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.074 -0.875 4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.161 -2.100 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.827 -3.066 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.128 -4.162 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.645 -4.308 2.789 1.00 0.00 H new ATOM 279 N THR A 22 -2.193 -6.451 6.652 1.00 0.00 N ATOM 280 CA THR A 22 -1.962 -7.398 7.735 1.00 0.00 C ATOM 281 C THR A 22 -0.502 -7.389 8.172 1.00 0.00 C ATOM 282 O THR A 22 0.377 -6.957 7.425 1.00 0.00 O ATOM 283 CB THR A 22 -2.354 -8.829 7.323 1.00 0.00 C ATOM 284 OG1 THR A 22 -1.943 -9.760 8.330 1.00 0.00 O ATOM 285 CG2 THR A 22 -1.720 -9.202 5.991 1.00 0.00 C ATOM 0 H THR A 22 -2.707 -6.835 5.859 1.00 0.00 H new ATOM 0 HA THR A 22 -2.589 -7.083 8.569 1.00 0.00 H new ATOM 0 HB THR A 22 -3.438 -8.867 7.215 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.198 -10.667 8.060 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.011 -10.217 5.721 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.059 -8.510 5.220 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.635 -9.147 6.076 1.00 0.00 H new ATOM 293 N TYR A 23 -0.249 -7.869 9.384 1.00 0.00 N ATOM 294 CA TYR A 23 1.106 -7.915 9.921 1.00 0.00 C ATOM 295 C TYR A 23 2.081 -8.479 8.891 1.00 0.00 C ATOM 296 O TYR A 23 3.169 -7.939 8.689 1.00 0.00 O ATOM 297 CB TYR A 23 1.145 -8.762 11.194 1.00 0.00 C ATOM 298 CG TYR A 23 2.507 -9.348 11.490 1.00 0.00 C ATOM 299 CD1 TYR A 23 2.945 -10.498 10.846 1.00 0.00 C ATOM 300 CD2 TYR A 23 3.356 -8.751 12.414 1.00 0.00 C ATOM 301 CE1 TYR A 23 4.189 -11.037 11.114 1.00 0.00 C ATOM 302 CE2 TYR A 23 4.601 -9.282 12.687 1.00 0.00 C ATOM 303 CZ TYR A 23 5.013 -10.425 12.035 1.00 0.00 C ATOM 304 OH TYR A 23 6.253 -10.959 12.304 1.00 0.00 O ATOM 0 H TYR A 23 -0.965 -8.232 10.014 1.00 0.00 H new ATOM 0 HA TYR A 23 1.409 -6.896 10.162 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.832 -8.148 12.038 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.422 -9.573 11.103 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.302 -10.979 10.123 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.037 -7.856 12.927 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.514 -11.932 10.605 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.249 -8.805 13.407 1.00 0.00 H new ATOM 0 HH TYR A 23 6.708 -10.408 12.975 1.00 0.00 H new ATOM 314 N ARG A 24 1.682 -9.568 8.243 1.00 0.00 N ATOM 315 CA ARG A 24 2.519 -10.207 7.234 1.00 0.00 C ATOM 316 C ARG A 24 3.125 -9.169 6.294 1.00 0.00 C ATOM 317 O ARG A 24 4.280 -9.286 5.882 1.00 0.00 O ATOM 318 CB ARG A 24 1.704 -11.223 6.433 1.00 0.00 C ATOM 319 CG ARG A 24 1.720 -12.621 7.027 1.00 0.00 C ATOM 320 CD ARG A 24 1.494 -13.682 5.962 1.00 0.00 C ATOM 321 NE ARG A 24 1.326 -15.013 6.541 1.00 0.00 N ATOM 322 CZ ARG A 24 1.361 -16.134 5.829 1.00 0.00 C ATOM 323 NH1 ARG A 24 1.557 -16.085 4.518 1.00 0.00 N ATOM 324 NH2 ARG A 24 1.201 -17.307 6.428 1.00 0.00 N ATOM 0 H ARG A 24 0.784 -10.027 8.398 1.00 0.00 H new ATOM 0 HA ARG A 24 3.330 -10.726 7.746 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.672 -10.877 6.367 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.092 -11.266 5.415 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.676 -12.797 7.520 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.947 -12.701 7.792 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.610 -13.427 5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.339 -13.690 5.274 1.00 0.00 H new ATOM 0 HE ARG A 24 1.174 -15.085 7.547 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.681 -15.185 4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.583 -16.947 3.974 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.051 -17.349 7.436 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.228 -18.167 5.880 1.00 0.00 H new ATOM 338 N THR A 25 2.337 -8.152 5.957 1.00 0.00 N ATOM 339 CA THR A 25 2.794 -7.095 5.064 1.00 0.00 C ATOM 340 C THR A 25 4.223 -6.678 5.391 1.00 0.00 C ATOM 341 O THR A 25 4.609 -6.615 6.558 1.00 0.00 O ATOM 342 CB THR A 25 1.879 -5.858 5.144 1.00 0.00 C ATOM 343 OG1 THR A 25 0.522 -6.235 4.886 1.00 0.00 O ATOM 344 CG2 THR A 25 2.315 -4.797 4.144 1.00 0.00 C ATOM 0 H THR A 25 1.379 -8.039 6.289 1.00 0.00 H new ATOM 0 HA THR A 25 2.759 -7.499 4.052 1.00 0.00 H new ATOM 0 HB THR A 25 1.955 -5.441 6.148 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.153 -6.689 5.672 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.654 -3.933 4.219 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.338 -4.491 4.361 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.265 -5.206 3.135 1.00 0.00 H new ATOM 352 N SER A 26 5.004 -6.393 4.354 1.00 0.00 N ATOM 353 CA SER A 26 6.393 -5.985 4.532 1.00 0.00 C ATOM 354 C SER A 26 6.826 -5.034 3.421 1.00 0.00 C ATOM 355 O SER A 26 6.277 -5.035 2.319 1.00 0.00 O ATOM 356 CB SER A 26 7.308 -7.211 4.556 1.00 0.00 C ATOM 357 OG SER A 26 7.249 -7.915 3.328 1.00 0.00 O ATOM 0 H SER A 26 4.699 -6.437 3.382 1.00 0.00 H new ATOM 0 HA SER A 26 6.473 -5.463 5.485 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.334 -6.899 4.751 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.015 -7.872 5.372 1.00 0.00 H new ATOM 0 HG SER A 26 7.844 -8.693 3.368 1.00 0.00 H new ATOM 363 N PRO A 27 7.837 -4.203 3.715 1.00 0.00 N ATOM 364 CA PRO A 27 8.368 -3.231 2.754 1.00 0.00 C ATOM 365 C PRO A 27 8.550 -3.831 1.364 1.00 0.00 C ATOM 366 O PRO A 27 8.025 -3.311 0.380 1.00 0.00 O ATOM 367 CB PRO A 27 9.723 -2.845 3.353 1.00 0.00 C ATOM 368 CG PRO A 27 9.561 -3.048 4.820 1.00 0.00 C ATOM 369 CD PRO A 27 8.538 -4.147 5.008 1.00 0.00 C ATOM 0 HA PRO A 27 7.694 -2.387 2.612 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.524 -3.467 2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.977 -1.811 3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.511 -3.324 5.278 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.230 -2.128 5.302 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.013 -5.099 5.246 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.853 -3.920 5.825 1.00 0.00 H new ATOM 377 N ASP A 28 9.298 -4.927 1.292 1.00 0.00 N ATOM 378 CA ASP A 28 9.548 -5.598 0.022 1.00 0.00 C ATOM 379 C ASP A 28 8.258 -5.747 -0.779 1.00 0.00 C ATOM 380 O ASP A 28 8.160 -5.272 -1.910 1.00 0.00 O ATOM 381 CB ASP A 28 10.175 -6.973 0.262 1.00 0.00 C ATOM 382 CG ASP A 28 11.675 -6.897 0.470 1.00 0.00 C ATOM 383 OD1 ASP A 28 12.413 -6.887 -0.538 1.00 0.00 O ATOM 384 OD2 ASP A 28 12.110 -6.849 1.639 1.00 0.00 O ATOM 0 H ASP A 28 9.741 -5.369 2.097 1.00 0.00 H new ATOM 0 HA ASP A 28 10.242 -4.985 -0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.713 -7.432 1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.961 -7.620 -0.589 1.00 0.00 H new ATOM 389 N SER A 29 7.271 -6.409 -0.183 1.00 0.00 N ATOM 390 CA SER A 29 5.988 -6.624 -0.843 1.00 0.00 C ATOM 391 C SER A 29 5.335 -5.295 -1.208 1.00 0.00 C ATOM 392 O SER A 29 5.111 -5.002 -2.383 1.00 0.00 O ATOM 393 CB SER A 29 5.056 -7.432 0.062 1.00 0.00 C ATOM 394 OG SER A 29 4.083 -8.127 -0.699 1.00 0.00 O ATOM 0 H SER A 29 7.335 -6.805 0.755 1.00 0.00 H new ATOM 0 HA SER A 29 6.168 -7.184 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.639 -8.142 0.648 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.562 -6.765 0.768 1.00 0.00 H new ATOM 0 HG SER A 29 3.501 -8.637 -0.098 1.00 0.00 H new ATOM 400 N LEU A 30 5.032 -4.493 -0.192 1.00 0.00 N ATOM 401 CA LEU A 30 4.405 -3.194 -0.404 1.00 0.00 C ATOM 402 C LEU A 30 5.021 -2.480 -1.604 1.00 0.00 C ATOM 403 O LEU A 30 4.369 -1.666 -2.256 1.00 0.00 O ATOM 404 CB LEU A 30 4.546 -2.326 0.848 1.00 0.00 C ATOM 405 CG LEU A 30 3.755 -1.018 0.851 1.00 0.00 C ATOM 406 CD1 LEU A 30 2.262 -1.297 0.765 1.00 0.00 C ATOM 407 CD2 LEU A 30 4.076 -0.204 2.096 1.00 0.00 C ATOM 0 H LEU A 30 5.211 -4.720 0.786 1.00 0.00 H new ATOM 0 HA LEU A 30 3.347 -3.359 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.237 -2.916 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.601 -2.089 0.985 1.00 0.00 H new ATOM 0 HG LEU A 30 4.046 -0.437 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.715 -0.354 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.046 -1.839 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.954 -1.898 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.504 0.724 2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.813 -0.779 2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.141 0.027 2.115 1.00 0.00 H new ATOM 419 N ARG A 31 6.280 -2.794 -1.889 1.00 0.00 N ATOM 420 CA ARG A 31 6.985 -2.184 -3.010 1.00 0.00 C ATOM 421 C ARG A 31 6.624 -2.878 -4.321 1.00 0.00 C ATOM 422 O ARG A 31 6.317 -2.223 -5.317 1.00 0.00 O ATOM 423 CB ARG A 31 8.497 -2.248 -2.786 1.00 0.00 C ATOM 424 CG ARG A 31 9.283 -1.289 -3.665 1.00 0.00 C ATOM 425 CD ARG A 31 10.745 -1.226 -3.251 1.00 0.00 C ATOM 426 NE ARG A 31 11.506 -2.368 -3.752 1.00 0.00 N ATOM 427 CZ ARG A 31 12.819 -2.500 -3.599 1.00 0.00 C ATOM 428 NH1 ARG A 31 13.513 -1.567 -2.963 1.00 0.00 N ATOM 429 NH2 ARG A 31 13.440 -3.568 -4.084 1.00 0.00 N ATOM 0 H ARG A 31 6.833 -3.467 -1.359 1.00 0.00 H new ATOM 0 HA ARG A 31 6.679 -1.140 -3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.711 -2.027 -1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.841 -3.265 -2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.212 -1.606 -4.706 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.843 -0.294 -3.604 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.188 -0.303 -3.625 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.813 -1.194 -2.164 1.00 0.00 H new ATOM 0 HE ARG A 31 11.002 -3.104 -4.246 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.039 -0.745 -2.589 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.521 -1.671 -2.847 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.909 -4.288 -4.574 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.448 -3.669 -3.966 1.00 0.00 H new ATOM 443 N ARG A 32 6.664 -4.206 -4.312 1.00 0.00 N ATOM 444 CA ARG A 32 6.343 -4.988 -5.500 1.00 0.00 C ATOM 445 C ARG A 32 4.955 -4.633 -6.026 1.00 0.00 C ATOM 446 O ARG A 32 4.671 -4.793 -7.213 1.00 0.00 O ATOM 447 CB ARG A 32 6.414 -6.484 -5.186 1.00 0.00 C ATOM 448 CG ARG A 32 6.760 -7.343 -6.392 1.00 0.00 C ATOM 449 CD ARG A 32 6.232 -8.760 -6.235 1.00 0.00 C ATOM 450 NE ARG A 32 7.202 -9.636 -5.583 1.00 0.00 N ATOM 451 CZ ARG A 32 7.332 -9.736 -4.265 1.00 0.00 C ATOM 452 NH1 ARG A 32 6.558 -9.018 -3.463 1.00 0.00 N ATOM 453 NH2 ARG A 32 8.238 -10.556 -3.747 1.00 0.00 N ATOM 0 H ARG A 32 6.915 -4.763 -3.495 1.00 0.00 H new ATOM 0 HA ARG A 32 7.076 -4.750 -6.270 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.159 -6.648 -4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.455 -6.808 -4.783 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.340 -6.895 -7.292 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.842 -7.369 -6.524 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.311 -8.741 -5.652 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.980 -9.164 -7.216 1.00 0.00 H new ATOM 0 HE ARG A 32 7.813 -10.202 -6.172 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.861 -8.387 -3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.660 -9.097 -2.451 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.835 -11.110 -4.361 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.337 -10.632 -2.735 1.00 0.00 H new ATOM 467 N VAL A 33 4.096 -4.150 -5.135 1.00 0.00 N ATOM 468 CA VAL A 33 2.738 -3.772 -5.509 1.00 0.00 C ATOM 469 C VAL A 33 2.745 -2.635 -6.524 1.00 0.00 C ATOM 470 O VAL A 33 2.122 -2.728 -7.582 1.00 0.00 O ATOM 471 CB VAL A 33 1.916 -3.343 -4.279 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.554 -2.816 -4.705 1.00 0.00 C ATOM 473 CG2 VAL A 33 1.767 -4.504 -3.307 1.00 0.00 C ATOM 0 H VAL A 33 4.316 -4.011 -4.149 1.00 0.00 H new ATOM 0 HA VAL A 33 2.276 -4.652 -5.956 1.00 0.00 H new ATOM 0 HB VAL A 33 2.448 -2.539 -3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.013 -2.518 -3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.686 -1.955 -5.360 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.012 -3.597 -5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.184 -4.183 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.257 -5.330 -3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.753 -4.831 -2.977 1.00 0.00 H new ATOM 483 N PHE A 34 3.454 -1.560 -6.195 1.00 0.00 N ATOM 484 CA PHE A 34 3.542 -0.402 -7.078 1.00 0.00 C ATOM 485 C PHE A 34 4.832 -0.437 -7.893 1.00 0.00 C ATOM 486 O PHE A 34 5.356 0.604 -8.287 1.00 0.00 O ATOM 487 CB PHE A 34 3.473 0.892 -6.265 1.00 0.00 C ATOM 488 CG PHE A 34 2.360 0.908 -5.257 1.00 0.00 C ATOM 489 CD1 PHE A 34 1.053 0.659 -5.643 1.00 0.00 C ATOM 490 CD2 PHE A 34 2.621 1.173 -3.922 1.00 0.00 C ATOM 491 CE1 PHE A 34 0.027 0.672 -4.718 1.00 0.00 C ATOM 492 CE2 PHE A 34 1.598 1.187 -2.992 1.00 0.00 C ATOM 493 CZ PHE A 34 0.300 0.938 -3.390 1.00 0.00 C ATOM 0 H PHE A 34 3.976 -1.466 -5.324 1.00 0.00 H new ATOM 0 HA PHE A 34 2.697 -0.435 -7.766 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.422 1.038 -5.749 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.347 1.733 -6.946 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.833 0.452 -6.680 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.634 1.371 -3.605 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.987 0.474 -5.033 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.815 1.393 -1.954 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.500 0.951 -2.665 1.00 0.00 H new ATOM 503 N GLU A 35 5.337 -1.641 -8.140 1.00 0.00 N ATOM 504 CA GLU A 35 6.566 -1.811 -8.906 1.00 0.00 C ATOM 505 C GLU A 35 6.259 -2.047 -10.382 1.00 0.00 C ATOM 506 O GLU A 35 6.984 -1.582 -11.262 1.00 0.00 O ATOM 507 CB GLU A 35 7.382 -2.979 -8.350 1.00 0.00 C ATOM 508 CG GLU A 35 8.367 -2.573 -7.267 1.00 0.00 C ATOM 509 CD GLU A 35 9.711 -2.152 -7.828 1.00 0.00 C ATOM 510 OE1 GLU A 35 9.742 -1.611 -8.953 1.00 0.00 O ATOM 511 OE2 GLU A 35 10.732 -2.363 -7.141 1.00 0.00 O ATOM 0 H GLU A 35 4.914 -2.513 -7.821 1.00 0.00 H new ATOM 0 HA GLU A 35 7.149 -0.895 -8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.700 -3.728 -7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.928 -3.451 -9.167 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.946 -1.751 -6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.510 -3.407 -6.580 1.00 0.00 H new ATOM 518 N LYS A 36 5.178 -2.774 -10.646 1.00 0.00 N ATOM 519 CA LYS A 36 4.772 -3.073 -12.015 1.00 0.00 C ATOM 520 C LYS A 36 4.148 -1.849 -12.677 1.00 0.00 C ATOM 521 O LYS A 36 4.000 -1.799 -13.898 1.00 0.00 O ATOM 522 CB LYS A 36 3.779 -4.237 -12.031 1.00 0.00 C ATOM 523 CG LYS A 36 2.385 -3.854 -11.565 1.00 0.00 C ATOM 524 CD LYS A 36 1.470 -5.065 -11.490 1.00 0.00 C ATOM 525 CE LYS A 36 1.108 -5.576 -12.877 1.00 0.00 C ATOM 526 NZ LYS A 36 0.078 -6.649 -12.820 1.00 0.00 N ATOM 0 H LYS A 36 4.567 -3.167 -9.930 1.00 0.00 H new ATOM 0 HA LYS A 36 5.662 -3.355 -12.578 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.717 -4.637 -13.043 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.159 -5.036 -11.395 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.445 -3.381 -10.585 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.961 -3.118 -12.249 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.960 -5.858 -10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.561 -4.803 -10.949 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.738 -4.749 -13.484 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.003 -5.957 -13.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.142 -6.971 -13.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.440 -7.449 -12.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.785 -6.278 -12.374 1.00 0.00 H new ATOM 540 N TYR A 37 3.785 -0.863 -11.864 1.00 0.00 N ATOM 541 CA TYR A 37 3.175 0.360 -12.371 1.00 0.00 C ATOM 542 C TYR A 37 4.173 1.514 -12.353 1.00 0.00 C ATOM 543 O TYR A 37 4.356 2.207 -13.353 1.00 0.00 O ATOM 544 CB TYR A 37 1.944 0.724 -11.540 1.00 0.00 C ATOM 545 CG TYR A 37 0.950 -0.407 -11.403 1.00 0.00 C ATOM 546 CD1 TYR A 37 0.393 -1.009 -12.524 1.00 0.00 C ATOM 547 CD2 TYR A 37 0.569 -0.875 -10.151 1.00 0.00 C ATOM 548 CE1 TYR A 37 -0.515 -2.043 -12.403 1.00 0.00 C ATOM 549 CE2 TYR A 37 -0.338 -1.909 -10.021 1.00 0.00 C ATOM 550 CZ TYR A 37 -0.878 -2.489 -11.149 1.00 0.00 C ATOM 551 OH TYR A 37 -1.781 -3.519 -11.025 1.00 0.00 O ATOM 0 H TYR A 37 3.903 -0.887 -10.851 1.00 0.00 H new ATOM 0 HA TYR A 37 2.869 0.183 -13.402 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.266 1.036 -10.546 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.447 1.580 -11.997 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.675 -0.663 -13.507 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.989 -0.423 -9.265 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.938 -2.500 -13.285 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.623 -2.261 -9.040 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.928 -3.713 -10.076 1.00 0.00 H new ATOM 561 N GLY A 38 4.818 1.713 -11.207 1.00 0.00 N ATOM 562 CA GLY A 38 5.790 2.782 -11.079 1.00 0.00 C ATOM 563 C GLY A 38 7.020 2.357 -10.302 1.00 0.00 C ATOM 564 O GLY A 38 7.105 1.223 -9.832 1.00 0.00 O ATOM 0 H GLY A 38 4.684 1.153 -10.365 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.089 3.118 -12.072 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.326 3.633 -10.581 1.00 0.00 H new ATOM 568 N ARG A 39 7.978 3.270 -10.167 1.00 0.00 N ATOM 569 CA ARG A 39 9.210 2.982 -9.443 1.00 0.00 C ATOM 570 C ARG A 39 9.151 3.541 -8.025 1.00 0.00 C ATOM 571 O ARG A 39 9.424 4.720 -7.799 1.00 0.00 O ATOM 572 CB ARG A 39 10.411 3.571 -10.185 1.00 0.00 C ATOM 573 CG ARG A 39 10.169 4.974 -10.719 1.00 0.00 C ATOM 574 CD ARG A 39 11.468 5.637 -11.151 1.00 0.00 C ATOM 575 NE ARG A 39 11.892 5.198 -12.477 1.00 0.00 N ATOM 576 CZ ARG A 39 13.114 5.394 -12.960 1.00 0.00 C ATOM 577 NH1 ARG A 39 14.027 6.019 -12.229 1.00 0.00 N ATOM 578 NH2 ARG A 39 13.425 4.965 -14.177 1.00 0.00 N ATOM 0 H ARG A 39 7.924 4.214 -10.549 1.00 0.00 H new ATOM 0 HA ARG A 39 9.323 1.899 -9.384 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.269 3.590 -9.513 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.671 2.915 -11.016 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.483 4.929 -11.565 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.688 5.579 -9.950 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.340 6.719 -11.151 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.250 5.409 -10.427 1.00 0.00 H new ATOM 0 HE ARG A 39 11.213 4.714 -13.065 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.792 6.351 -11.293 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.964 6.168 -12.602 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.725 4.484 -14.743 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.364 5.116 -14.547 1.00 0.00 H new ATOM 592 N VAL A 40 8.792 2.686 -7.072 1.00 0.00 N ATOM 593 CA VAL A 40 8.697 3.094 -5.675 1.00 0.00 C ATOM 594 C VAL A 40 9.992 3.747 -5.204 1.00 0.00 C ATOM 595 O VAL A 40 10.996 3.071 -4.986 1.00 0.00 O ATOM 596 CB VAL A 40 8.377 1.896 -4.761 1.00 0.00 C ATOM 597 CG1 VAL A 40 8.566 2.274 -3.300 1.00 0.00 C ATOM 598 CG2 VAL A 40 6.962 1.398 -5.013 1.00 0.00 C ATOM 0 H VAL A 40 8.562 1.707 -7.242 1.00 0.00 H new ATOM 0 HA VAL A 40 7.884 3.818 -5.611 1.00 0.00 H new ATOM 0 HB VAL A 40 9.069 1.087 -4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.335 1.415 -2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.599 2.579 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.899 3.099 -3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.752 0.552 -4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.252 2.199 -4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.866 1.086 -6.053 1.00 0.00 H new ATOM 608 N GLY A 41 9.961 5.067 -5.049 1.00 0.00 N ATOM 609 CA GLY A 41 11.138 5.790 -4.604 1.00 0.00 C ATOM 610 C GLY A 41 11.564 5.397 -3.204 1.00 0.00 C ATOM 611 O GLY A 41 12.757 5.297 -2.916 1.00 0.00 O ATOM 0 H GLY A 41 9.142 5.649 -5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.959 5.603 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.935 6.861 -4.632 1.00 0.00 H new ATOM 615 N ASP A 42 10.589 5.175 -2.330 1.00 0.00 N ATOM 616 CA ASP A 42 10.869 4.792 -0.951 1.00 0.00 C ATOM 617 C ASP A 42 9.638 4.172 -0.298 1.00 0.00 C ATOM 618 O ASP A 42 8.505 4.477 -0.671 1.00 0.00 O ATOM 619 CB ASP A 42 11.332 6.007 -0.146 1.00 0.00 C ATOM 620 CG ASP A 42 11.681 5.653 1.286 1.00 0.00 C ATOM 621 OD1 ASP A 42 12.792 5.131 1.515 1.00 0.00 O ATOM 622 OD2 ASP A 42 10.842 5.897 2.179 1.00 0.00 O ATOM 0 H ASP A 42 9.597 5.254 -2.552 1.00 0.00 H new ATOM 0 HA ASP A 42 11.665 4.048 -0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.202 6.450 -0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.546 6.762 -0.149 1.00 0.00 H new ATOM 627 N VAL A 43 9.867 3.300 0.678 1.00 0.00 N ATOM 628 CA VAL A 43 8.777 2.637 1.383 1.00 0.00 C ATOM 629 C VAL A 43 8.920 2.798 2.892 1.00 0.00 C ATOM 630 O VAL A 43 9.980 2.527 3.458 1.00 0.00 O ATOM 631 CB VAL A 43 8.718 1.136 1.042 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.343 0.569 1.362 1.00 0.00 C ATOM 633 CG2 VAL A 43 9.069 0.909 -0.421 1.00 0.00 C ATOM 0 H VAL A 43 10.799 3.036 0.999 1.00 0.00 H new ATOM 0 HA VAL A 43 7.853 3.113 1.055 1.00 0.00 H new ATOM 0 HB VAL A 43 9.452 0.613 1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.320 -0.492 1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.134 0.698 2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.588 1.094 0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.023 -0.157 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.360 1.444 -1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.077 1.277 -0.615 1.00 0.00 H new ATOM 643 N TYR A 44 7.847 3.240 3.539 1.00 0.00 N ATOM 644 CA TYR A 44 7.853 3.439 4.983 1.00 0.00 C ATOM 645 C TYR A 44 6.671 2.730 5.636 1.00 0.00 C ATOM 646 O TYR A 44 5.608 2.588 5.032 1.00 0.00 O ATOM 647 CB TYR A 44 7.813 4.932 5.313 1.00 0.00 C ATOM 648 CG TYR A 44 7.964 5.231 6.788 1.00 0.00 C ATOM 649 CD1 TYR A 44 6.877 5.149 7.649 1.00 0.00 C ATOM 650 CD2 TYR A 44 9.195 5.593 7.320 1.00 0.00 C ATOM 651 CE1 TYR A 44 7.011 5.422 8.996 1.00 0.00 C ATOM 652 CE2 TYR A 44 9.339 5.866 8.667 1.00 0.00 C ATOM 653 CZ TYR A 44 8.244 5.780 9.500 1.00 0.00 C ATOM 654 OH TYR A 44 8.381 6.051 10.843 1.00 0.00 O ATOM 0 H TYR A 44 6.962 3.467 3.086 1.00 0.00 H new ATOM 0 HA TYR A 44 8.774 3.011 5.379 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.608 5.438 4.765 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.869 5.348 4.961 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.911 4.867 7.258 1.00 0.00 H new ATOM 0 HD2 TYR A 44 10.054 5.662 6.670 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.155 5.356 9.651 1.00 0.00 H new ATOM 0 HE2 TYR A 44 10.304 6.145 9.065 1.00 0.00 H new ATOM 0 HH TYR A 44 9.313 6.286 11.036 1.00 0.00 H new ATOM 664 N ILE A 45 6.865 2.288 6.874 1.00 0.00 N ATOM 665 CA ILE A 45 5.815 1.595 7.611 1.00 0.00 C ATOM 666 C ILE A 45 5.707 2.120 9.038 1.00 0.00 C ATOM 667 O ILE A 45 6.514 1.794 9.909 1.00 0.00 O ATOM 668 CB ILE A 45 6.065 0.076 7.652 1.00 0.00 C ATOM 669 CG1 ILE A 45 6.147 -0.488 6.232 1.00 0.00 C ATOM 670 CG2 ILE A 45 4.966 -0.620 8.442 1.00 0.00 C ATOM 671 CD1 ILE A 45 6.459 -1.968 6.187 1.00 0.00 C ATOM 0 H ILE A 45 7.739 2.397 7.388 1.00 0.00 H new ATOM 0 HA ILE A 45 4.880 1.787 7.084 1.00 0.00 H new ATOM 0 HB ILE A 45 7.017 -0.108 8.151 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.200 -0.309 5.723 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.914 0.054 5.678 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.156 -1.693 8.462 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.951 -0.235 9.462 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.002 -0.431 7.969 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.502 -2.299 5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.420 -2.152 6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.680 -2.520 6.712 1.00 0.00 H new ATOM 683 N PRO A 46 4.685 2.952 9.286 1.00 0.00 N ATOM 684 CA PRO A 46 4.444 3.539 10.608 1.00 0.00 C ATOM 685 C PRO A 46 3.862 2.531 11.592 1.00 0.00 C ATOM 686 O PRO A 46 2.958 1.767 11.251 1.00 0.00 O ATOM 687 CB PRO A 46 3.435 4.654 10.324 1.00 0.00 C ATOM 688 CG PRO A 46 2.703 4.200 9.108 1.00 0.00 C ATOM 689 CD PRO A 46 3.684 3.384 8.296 1.00 0.00 C ATOM 0 HA PRO A 46 5.366 3.889 11.072 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.756 4.797 11.165 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.936 5.607 10.152 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.833 3.603 9.380 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.338 5.052 8.534 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.198 2.532 7.820 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.137 3.977 7.502 1.00 0.00 H new ATOM 851 N GLY A 56 -1.397 -0.046 10.676 1.00 0.00 N ATOM 852 CA GLY A 56 -2.296 -0.626 9.695 1.00 0.00 C ATOM 853 C GLY A 56 -2.136 -0.004 8.322 1.00 0.00 C ATOM 854 O GLY A 56 -2.411 -0.643 7.307 1.00 0.00 O ATOM 0 HA2 GLY A 56 -2.113 -1.698 9.628 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.325 -0.499 10.030 1.00 0.00 H new ATOM 858 N PHE A 57 -1.690 1.248 8.290 1.00 0.00 N ATOM 859 CA PHE A 57 -1.496 1.958 7.031 1.00 0.00 C ATOM 860 C PHE A 57 -0.011 2.145 6.736 1.00 0.00 C ATOM 861 O PHE A 57 0.810 2.220 7.650 1.00 0.00 O ATOM 862 CB PHE A 57 -2.194 3.319 7.076 1.00 0.00 C ATOM 863 CG PHE A 57 -1.813 4.149 8.268 1.00 0.00 C ATOM 864 CD1 PHE A 57 -0.632 4.874 8.275 1.00 0.00 C ATOM 865 CD2 PHE A 57 -2.635 4.204 9.382 1.00 0.00 C ATOM 866 CE1 PHE A 57 -0.278 5.640 9.370 1.00 0.00 C ATOM 867 CE2 PHE A 57 -2.286 4.968 10.480 1.00 0.00 C ATOM 868 CZ PHE A 57 -1.106 5.686 10.475 1.00 0.00 C ATOM 0 H PHE A 57 -1.456 1.791 9.121 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.934 1.359 6.233 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.955 3.871 6.167 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.273 3.165 7.080 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.020 4.840 7.415 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.558 3.644 9.393 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.644 6.202 9.362 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.936 5.003 11.342 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.831 6.282 11.333 1.00 0.00 H new ATOM 878 N ALA A 58 0.327 2.220 5.453 1.00 0.00 N ATOM 879 CA ALA A 58 1.712 2.400 5.036 1.00 0.00 C ATOM 880 C ALA A 58 1.853 3.597 4.101 1.00 0.00 C ATOM 881 O ALA A 58 0.865 4.096 3.562 1.00 0.00 O ATOM 882 CB ALA A 58 2.228 1.138 4.362 1.00 0.00 C ATOM 0 H ALA A 58 -0.340 2.159 4.684 1.00 0.00 H new ATOM 0 HA ALA A 58 2.311 2.595 5.926 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.263 1.287 4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.173 0.303 5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.618 0.918 3.486 1.00 0.00 H new ATOM 888 N PHE A 59 3.087 4.053 3.914 1.00 0.00 N ATOM 889 CA PHE A 59 3.357 5.193 3.046 1.00 0.00 C ATOM 890 C PHE A 59 4.381 4.830 1.975 1.00 0.00 C ATOM 891 O PHE A 59 5.541 4.549 2.279 1.00 0.00 O ATOM 892 CB PHE A 59 3.861 6.380 3.869 1.00 0.00 C ATOM 893 CG PHE A 59 2.811 6.983 4.757 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.780 7.738 4.220 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.853 6.795 6.129 1.00 0.00 C ATOM 896 CE1 PHE A 59 0.813 8.294 5.036 1.00 0.00 C ATOM 897 CE2 PHE A 59 1.889 7.348 6.950 1.00 0.00 C ATOM 898 CZ PHE A 59 0.867 8.098 6.402 1.00 0.00 C ATOM 0 H PHE A 59 3.916 3.651 4.352 1.00 0.00 H new ATOM 0 HA PHE A 59 2.425 5.472 2.553 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.702 6.056 4.482 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.237 7.147 3.192 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.732 7.893 3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.650 6.209 6.562 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.015 8.881 4.606 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.935 7.194 8.018 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.111 8.531 7.041 1.00 0.00 H new ATOM 908 N VAL A 60 3.944 4.838 0.719 1.00 0.00 N ATOM 909 CA VAL A 60 4.822 4.511 -0.398 1.00 0.00 C ATOM 910 C VAL A 60 5.040 5.721 -1.299 1.00 0.00 C ATOM 911 O VAL A 60 4.087 6.287 -1.836 1.00 0.00 O ATOM 912 CB VAL A 60 4.252 3.354 -1.239 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.283 2.868 -2.247 1.00 0.00 C ATOM 914 CG2 VAL A 60 3.797 2.215 -0.339 1.00 0.00 C ATOM 0 H VAL A 60 2.987 5.067 0.450 1.00 0.00 H new ATOM 0 HA VAL A 60 5.777 4.204 0.029 1.00 0.00 H new ATOM 0 HB VAL A 60 3.385 3.721 -1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.862 2.050 -2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.556 3.687 -2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.170 2.518 -1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.397 1.406 -0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.645 1.848 0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.023 2.574 0.339 1.00 0.00 H new ATOM 924 N ARG A 61 6.299 6.112 -1.461 1.00 0.00 N ATOM 925 CA ARG A 61 6.642 7.257 -2.298 1.00 0.00 C ATOM 926 C ARG A 61 6.753 6.845 -3.763 1.00 0.00 C ATOM 927 O ARG A 61 6.903 5.665 -4.078 1.00 0.00 O ATOM 928 CB ARG A 61 7.959 7.880 -1.831 1.00 0.00 C ATOM 929 CG ARG A 61 7.809 8.783 -0.618 1.00 0.00 C ATOM 930 CD ARG A 61 9.148 9.357 -0.182 1.00 0.00 C ATOM 931 NE ARG A 61 8.997 10.373 0.856 1.00 0.00 N ATOM 932 CZ ARG A 61 9.990 10.776 1.641 1.00 0.00 C ATOM 933 NH1 ARG A 61 11.200 10.252 1.505 1.00 0.00 N ATOM 934 NH2 ARG A 61 9.773 11.704 2.563 1.00 0.00 N ATOM 0 H ARG A 61 7.099 5.654 -1.024 1.00 0.00 H new ATOM 0 HA ARG A 61 5.846 7.995 -2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.665 7.083 -1.595 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.390 8.455 -2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.122 9.596 -0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.368 8.219 0.204 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.784 8.553 0.188 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.654 9.792 -1.044 1.00 0.00 H new ATOM 0 HE ARG A 61 8.078 10.797 0.985 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.370 9.538 0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.961 10.563 2.109 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.843 12.109 2.670 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.536 12.013 3.165 1.00 0.00 H new ATOM 948 N PHE A 62 6.676 7.827 -4.655 1.00 0.00 N ATOM 949 CA PHE A 62 6.766 7.568 -6.087 1.00 0.00 C ATOM 950 C PHE A 62 7.665 8.594 -6.771 1.00 0.00 C ATOM 951 O PHE A 62 8.208 9.489 -6.123 1.00 0.00 O ATOM 952 CB PHE A 62 5.373 7.592 -6.720 1.00 0.00 C ATOM 953 CG PHE A 62 4.541 6.387 -6.382 1.00 0.00 C ATOM 954 CD1 PHE A 62 4.096 6.177 -5.087 1.00 0.00 C ATOM 955 CD2 PHE A 62 4.204 5.466 -7.360 1.00 0.00 C ATOM 956 CE1 PHE A 62 3.331 5.070 -4.774 1.00 0.00 C ATOM 957 CE2 PHE A 62 3.438 4.356 -7.053 1.00 0.00 C ATOM 958 CZ PHE A 62 3.001 4.159 -5.759 1.00 0.00 C ATOM 0 H PHE A 62 6.551 8.810 -4.411 1.00 0.00 H new ATOM 0 HA PHE A 62 7.203 6.579 -6.224 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.849 8.490 -6.392 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.476 7.661 -7.803 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.350 6.887 -4.313 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.543 5.616 -8.374 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.991 4.917 -3.760 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.182 3.645 -7.825 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.402 3.294 -5.516 1.00 0.00 H new ATOM 968 N HIS A 63 7.816 8.458 -8.084 1.00 0.00 N ATOM 969 CA HIS A 63 8.649 9.373 -8.857 1.00 0.00 C ATOM 970 C HIS A 63 7.807 10.162 -9.855 1.00 0.00 C ATOM 971 O HIS A 63 8.088 11.327 -10.134 1.00 0.00 O ATOM 972 CB HIS A 63 9.744 8.601 -9.593 1.00 0.00 C ATOM 973 CG HIS A 63 10.988 8.406 -8.782 1.00 0.00 C ATOM 974 ND1 HIS A 63 11.658 7.279 -8.446 1.00 0.00 N flip ATOM 975 CD2 HIS A 63 11.686 9.450 -8.212 1.00 0.00 C flip ATOM 976 CE1 HIS A 63 12.738 7.659 -7.687 1.00 0.00 C flip ATOM 977 NE2 HIS A 63 12.732 8.973 -7.561 1.00 0.00 N flip ATOM 0 H HIS A 63 7.373 7.723 -8.635 1.00 0.00 H new ATOM 0 HA HIS A 63 9.113 10.076 -8.165 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.355 7.626 -9.887 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.998 9.132 -10.510 1.00 0.00 H new ATOM 0 HD2 HIS A 63 11.419 10.494 -8.286 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.473 6.991 -7.262 1.00 0.00 H new ATOM 0 HE2 HIS A 63 13.418 9.526 -7.048 1.00 0.00 H new ATOM 985 N ASP A 64 6.776 9.518 -10.391 1.00 0.00 N ATOM 986 CA ASP A 64 5.893 10.159 -11.358 1.00 0.00 C ATOM 987 C ASP A 64 4.435 10.038 -10.927 1.00 0.00 C ATOM 988 O ASP A 64 3.962 8.948 -10.604 1.00 0.00 O ATOM 989 CB ASP A 64 6.082 9.538 -12.743 1.00 0.00 C ATOM 990 CG ASP A 64 7.327 10.048 -13.441 1.00 0.00 C ATOM 991 OD1 ASP A 64 7.809 11.140 -13.074 1.00 0.00 O ATOM 992 OD2 ASP A 64 7.821 9.354 -14.354 1.00 0.00 O ATOM 0 H ASP A 64 6.531 8.552 -10.172 1.00 0.00 H new ATOM 0 HA ASP A 64 6.152 11.217 -11.404 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.141 8.454 -12.647 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.209 9.756 -13.358 1.00 0.00 H new ATOM 997 N ARG A 65 3.728 11.164 -10.924 1.00 0.00 N ATOM 998 CA ARG A 65 2.325 11.183 -10.531 1.00 0.00 C ATOM 999 C ARG A 65 1.528 10.136 -11.303 1.00 0.00 C ATOM 1000 O ARG A 65 0.893 9.264 -10.711 1.00 0.00 O ATOM 1001 CB ARG A 65 1.726 12.571 -10.767 1.00 0.00 C ATOM 1002 CG ARG A 65 0.442 12.821 -9.993 1.00 0.00 C ATOM 1003 CD ARG A 65 -0.710 11.997 -10.545 1.00 0.00 C ATOM 1004 NE ARG A 65 -1.992 12.396 -9.970 1.00 0.00 N ATOM 1005 CZ ARG A 65 -2.704 13.429 -10.406 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -2.261 14.164 -11.417 1.00 0.00 N ATOM 1007 NH2 ARG A 65 -3.862 13.729 -9.831 1.00 0.00 N ATOM 0 H ARG A 65 4.104 12.074 -11.189 1.00 0.00 H new ATOM 0 HA ARG A 65 2.269 10.946 -9.469 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.461 13.326 -10.489 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.528 12.696 -11.832 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.596 12.576 -8.942 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.188 13.880 -10.039 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.748 12.108 -11.629 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.533 10.942 -10.338 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.361 11.851 -9.191 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.372 13.937 -11.862 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.810 14.957 -11.750 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.206 13.166 -9.053 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.408 14.523 -10.167 1.00 0.00 H new ATOM 1021 N ARG A 66 1.567 10.229 -12.628 1.00 0.00 N ATOM 1022 CA ARG A 66 0.848 9.291 -13.482 1.00 0.00 C ATOM 1023 C ARG A 66 0.850 7.892 -12.874 1.00 0.00 C ATOM 1024 O ARG A 66 -0.207 7.310 -12.628 1.00 0.00 O ATOM 1025 CB ARG A 66 1.476 9.254 -14.877 1.00 0.00 C ATOM 1026 CG ARG A 66 0.941 10.324 -15.814 1.00 0.00 C ATOM 1027 CD ARG A 66 1.403 10.093 -17.244 1.00 0.00 C ATOM 1028 NE ARG A 66 1.300 11.303 -18.055 1.00 0.00 N ATOM 1029 CZ ARG A 66 1.522 11.331 -19.365 1.00 0.00 C ATOM 1030 NH1 ARG A 66 1.855 10.221 -20.008 1.00 0.00 N ATOM 1031 NH2 ARG A 66 1.409 12.472 -20.033 1.00 0.00 N ATOM 0 H ARG A 66 2.089 10.945 -13.134 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.184 9.631 -13.565 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.556 9.372 -14.783 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.299 8.274 -15.320 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.148 10.329 -15.779 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.275 11.305 -15.476 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.436 9.747 -17.239 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.804 9.302 -17.695 1.00 0.00 H new ATOM 0 HE ARG A 66 1.044 12.174 -17.591 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.941 9.342 -19.497 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.025 10.245 -21.013 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.152 13.328 -19.541 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.579 12.493 -21.038 1.00 0.00 H new ATOM 1045 N ASP A 67 2.042 7.358 -12.634 1.00 0.00 N ATOM 1046 CA ASP A 67 2.182 6.027 -12.054 1.00 0.00 C ATOM 1047 C ASP A 67 1.274 5.866 -10.839 1.00 0.00 C ATOM 1048 O ASP A 67 0.588 4.854 -10.694 1.00 0.00 O ATOM 1049 CB ASP A 67 3.636 5.771 -11.657 1.00 0.00 C ATOM 1050 CG ASP A 67 4.555 5.669 -12.859 1.00 0.00 C ATOM 1051 OD1 ASP A 67 4.066 5.310 -13.950 1.00 0.00 O ATOM 1052 OD2 ASP A 67 5.763 5.947 -12.707 1.00 0.00 O ATOM 0 H ASP A 67 2.926 7.826 -12.832 1.00 0.00 H new ATOM 0 HA ASP A 67 1.885 5.296 -12.806 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.980 6.576 -11.008 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.695 4.849 -11.079 1.00 0.00 H new ATOM 1057 N ALA A 68 1.275 6.870 -9.969 1.00 0.00 N ATOM 1058 CA ALA A 68 0.450 6.840 -8.767 1.00 0.00 C ATOM 1059 C ALA A 68 -1.031 6.756 -9.119 1.00 0.00 C ATOM 1060 O ALA A 68 -1.821 6.172 -8.378 1.00 0.00 O ATOM 1061 CB ALA A 68 0.722 8.067 -7.910 1.00 0.00 C ATOM 0 H ALA A 68 1.838 7.714 -10.074 1.00 0.00 H new ATOM 0 HA ALA A 68 0.712 5.948 -8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.099 8.032 -7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.773 8.083 -7.620 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.489 8.967 -8.479 1.00 0.00 H new ATOM 1067 N GLN A 69 -1.399 7.343 -10.253 1.00 0.00 N ATOM 1068 CA GLN A 69 -2.787 7.335 -10.702 1.00 0.00 C ATOM 1069 C GLN A 69 -3.180 5.959 -11.229 1.00 0.00 C ATOM 1070 O GLN A 69 -4.213 5.409 -10.848 1.00 0.00 O ATOM 1071 CB GLN A 69 -3.000 8.391 -11.787 1.00 0.00 C ATOM 1072 CG GLN A 69 -3.356 9.763 -11.240 1.00 0.00 C ATOM 1073 CD GLN A 69 -3.945 10.678 -12.295 1.00 0.00 C ATOM 1074 OE1 GLN A 69 -5.164 10.809 -12.410 1.00 0.00 O ATOM 1075 NE2 GLN A 69 -3.080 11.318 -13.074 1.00 0.00 N ATOM 0 H GLN A 69 -0.756 7.830 -10.878 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.421 7.571 -9.847 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.093 8.472 -12.386 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.794 8.058 -12.455 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.069 9.650 -10.423 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.462 10.226 -10.821 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.078 11.180 -12.944 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.418 11.947 -13.802 1.00 0.00 H new ATOM 1084 N ASP A 70 -2.350 5.409 -12.108 1.00 0.00 N ATOM 1085 CA ASP A 70 -2.610 4.096 -12.688 1.00 0.00 C ATOM 1086 C ASP A 70 -2.588 3.013 -11.614 1.00 0.00 C ATOM 1087 O ASP A 70 -3.458 2.144 -11.577 1.00 0.00 O ATOM 1088 CB ASP A 70 -1.578 3.779 -13.771 1.00 0.00 C ATOM 1089 CG ASP A 70 -1.989 4.300 -15.134 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -2.687 3.565 -15.864 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -1.614 5.442 -15.470 1.00 0.00 O ATOM 0 H ASP A 70 -1.491 5.852 -12.435 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.603 4.116 -13.138 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.619 4.215 -13.493 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.434 2.700 -13.826 1.00 0.00 H new ATOM 1096 N ALA A 71 -1.587 3.073 -10.742 1.00 0.00 N ATOM 1097 CA ALA A 71 -1.452 2.098 -9.666 1.00 0.00 C ATOM 1098 C ALA A 71 -2.677 2.110 -8.757 1.00 0.00 C ATOM 1099 O ALA A 71 -3.297 1.074 -8.523 1.00 0.00 O ATOM 1100 CB ALA A 71 -0.191 2.372 -8.860 1.00 0.00 C ATOM 0 H ALA A 71 -0.858 3.786 -10.759 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.375 1.108 -10.114 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.103 1.637 -8.060 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.680 2.304 -9.512 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.245 3.372 -8.429 1.00 0.00 H new ATOM 1106 N GLU A 72 -3.017 3.290 -8.247 1.00 0.00 N ATOM 1107 CA GLU A 72 -4.167 3.435 -7.362 1.00 0.00 C ATOM 1108 C GLU A 72 -5.428 2.872 -8.011 1.00 0.00 C ATOM 1109 O GLU A 72 -5.967 1.858 -7.568 1.00 0.00 O ATOM 1110 CB GLU A 72 -4.380 4.907 -7.003 1.00 0.00 C ATOM 1111 CG GLU A 72 -5.652 5.163 -6.212 1.00 0.00 C ATOM 1112 CD GLU A 72 -6.207 6.557 -6.436 1.00 0.00 C ATOM 1113 OE1 GLU A 72 -5.666 7.513 -5.842 1.00 0.00 O ATOM 1114 OE2 GLU A 72 -7.182 6.691 -7.204 1.00 0.00 O ATOM 0 H GLU A 72 -2.513 4.158 -8.431 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.965 2.871 -6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.526 5.258 -6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.408 5.496 -7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.405 4.427 -6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.450 5.023 -5.150 1.00 0.00 H new ATOM 1121 N ALA A 73 -5.893 3.537 -9.064 1.00 0.00 N ATOM 1122 CA ALA A 73 -7.088 3.103 -9.775 1.00 0.00 C ATOM 1123 C ALA A 73 -7.131 1.584 -9.900 1.00 0.00 C ATOM 1124 O ALA A 73 -8.191 0.971 -9.772 1.00 0.00 O ATOM 1125 CB ALA A 73 -7.148 3.749 -11.151 1.00 0.00 C ATOM 0 H ALA A 73 -5.459 4.379 -9.443 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.958 3.419 -9.199 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.046 3.415 -11.671 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.173 4.833 -11.043 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.268 3.462 -11.727 1.00 0.00 H new ATOM 1131 N ALA A 74 -5.973 0.982 -10.152 1.00 0.00 N ATOM 1132 CA ALA A 74 -5.879 -0.466 -10.293 1.00 0.00 C ATOM 1133 C ALA A 74 -6.113 -1.164 -8.957 1.00 0.00 C ATOM 1134 O ALA A 74 -7.102 -1.874 -8.782 1.00 0.00 O ATOM 1135 CB ALA A 74 -4.523 -0.853 -10.863 1.00 0.00 C ATOM 0 H ALA A 74 -5.087 1.475 -10.263 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.657 -0.791 -10.984 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.466 -1.937 -10.963 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.394 -0.391 -11.842 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.735 -0.509 -10.193 1.00 0.00 H new ATOM 1141 N MET A 75 -5.195 -0.957 -8.019 1.00 0.00 N ATOM 1142 CA MET A 75 -5.302 -1.567 -6.698 1.00 0.00 C ATOM 1143 C MET A 75 -6.618 -1.184 -6.028 1.00 0.00 C ATOM 1144 O MET A 75 -7.497 -2.025 -5.840 1.00 0.00 O ATOM 1145 CB MET A 75 -4.125 -1.141 -5.819 1.00 0.00 C ATOM 1146 CG MET A 75 -2.926 -2.070 -5.917 1.00 0.00 C ATOM 1147 SD MET A 75 -3.052 -3.486 -4.807 1.00 0.00 S ATOM 1148 CE MET A 75 -1.903 -4.623 -5.579 1.00 0.00 C ATOM 0 H MET A 75 -4.369 -0.372 -8.148 1.00 0.00 H new ATOM 0 HA MET A 75 -5.279 -2.650 -6.822 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.818 -0.134 -6.100 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.455 -1.095 -4.781 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.829 -2.425 -6.943 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.019 -1.512 -5.686 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.457 -5.432 -6.056 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.316 -4.093 -6.329 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.236 -5.036 -4.822 1.00 0.00 H new ATOM 1158 N ASP A 76 -6.745 0.089 -5.669 1.00 0.00 N ATOM 1159 CA ASP A 76 -7.954 0.583 -5.020 1.00 0.00 C ATOM 1160 C ASP A 76 -9.189 -0.139 -5.549 1.00 0.00 C ATOM 1161 O ASP A 76 -9.549 -0.001 -6.717 1.00 0.00 O ATOM 1162 CB ASP A 76 -8.096 2.090 -5.239 1.00 0.00 C ATOM 1163 CG ASP A 76 -9.545 2.536 -5.269 1.00 0.00 C ATOM 1164 OD1 ASP A 76 -10.189 2.393 -6.329 1.00 0.00 O ATOM 1165 OD2 ASP A 76 -10.034 3.029 -4.231 1.00 0.00 O ATOM 0 H ASP A 76 -6.026 0.797 -5.816 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.870 0.385 -3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.572 2.621 -4.444 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.615 2.365 -6.177 1.00 0.00 H new ATOM 1170 N GLY A 77 -9.834 -0.912 -4.680 1.00 0.00 N ATOM 1171 CA GLY A 77 -11.021 -1.646 -5.079 1.00 0.00 C ATOM 1172 C GLY A 77 -10.693 -3.008 -5.659 1.00 0.00 C ATOM 1173 O GLY A 77 -11.428 -3.525 -6.499 1.00 0.00 O ATOM 0 H GLY A 77 -9.556 -1.043 -3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.675 -1.770 -4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.574 -1.064 -5.817 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.585 -3.589 -5.210 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.162 -4.899 -5.689 1.00 0.00 C ATOM 1179 C ALA A 78 -9.501 -5.989 -4.679 1.00 0.00 C ATOM 1180 O ALA A 78 -9.967 -5.703 -3.576 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.669 -4.896 -5.984 1.00 0.00 C ATOM 0 H ALA A 78 -8.964 -3.173 -4.515 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.703 -5.113 -6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.367 -5.881 -6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.451 -4.150 -6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.119 -4.655 -5.074 1.00 0.00 H new ATOM 1187 N GLU A 79 -9.266 -7.240 -5.063 1.00 0.00 N ATOM 1188 CA GLU A 79 -9.549 -8.373 -4.190 1.00 0.00 C ATOM 1189 C GLU A 79 -8.259 -9.076 -3.775 1.00 0.00 C ATOM 1190 O GLU A 79 -7.772 -9.967 -4.472 1.00 0.00 O ATOM 1191 CB GLU A 79 -10.481 -9.365 -4.889 1.00 0.00 C ATOM 1192 CG GLU A 79 -10.817 -10.583 -4.045 1.00 0.00 C ATOM 1193 CD GLU A 79 -11.713 -11.566 -4.772 1.00 0.00 C ATOM 1194 OE1 GLU A 79 -11.253 -12.167 -5.765 1.00 0.00 O ATOM 1195 OE2 GLU A 79 -12.876 -11.735 -4.347 1.00 0.00 O ATOM 0 H GLU A 79 -8.881 -7.494 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.041 -7.994 -3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.405 -8.854 -5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.016 -9.694 -5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.894 -11.085 -3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.308 -10.260 -3.127 1.00 0.00 H new ATOM 1202 N LEU A 80 -7.710 -8.668 -2.636 1.00 0.00 N ATOM 1203 CA LEU A 80 -6.476 -9.257 -2.128 1.00 0.00 C ATOM 1204 C LEU A 80 -6.562 -9.485 -0.622 1.00 0.00 C ATOM 1205 O LEU A 80 -7.117 -8.666 0.109 1.00 0.00 O ATOM 1206 CB LEU A 80 -5.285 -8.354 -2.452 1.00 0.00 C ATOM 1207 CG LEU A 80 -4.764 -8.419 -3.888 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -3.822 -7.258 -4.167 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.067 -9.747 -4.143 1.00 0.00 C ATOM 0 H LEU A 80 -8.100 -7.932 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.335 -10.222 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.567 -7.324 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.467 -8.609 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.614 -8.342 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.461 -7.321 -5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.353 -6.317 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.976 -7.303 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.703 -9.775 -5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.227 -9.855 -3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.771 -10.564 -3.985 1.00 0.00 H new ATOM 1221 N ASP A 81 -6.006 -10.602 -0.166 1.00 0.00 N ATOM 1222 CA ASP A 81 -6.016 -10.936 1.254 1.00 0.00 C ATOM 1223 C ASP A 81 -7.445 -11.082 1.768 1.00 0.00 C ATOM 1224 O ASP A 81 -7.714 -10.881 2.951 1.00 0.00 O ATOM 1225 CB ASP A 81 -5.279 -9.864 2.058 1.00 0.00 C ATOM 1226 CG ASP A 81 -4.775 -10.384 3.390 1.00 0.00 C ATOM 1227 OD1 ASP A 81 -3.738 -11.080 3.402 1.00 0.00 O ATOM 1228 OD2 ASP A 81 -5.417 -10.093 4.421 1.00 0.00 O ATOM 0 H ASP A 81 -5.543 -11.291 -0.758 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.504 -11.890 1.381 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.437 -9.491 1.475 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.947 -9.020 2.230 1.00 0.00 H new ATOM 1233 N GLY A 82 -8.360 -11.431 0.868 1.00 0.00 N ATOM 1234 CA GLY A 82 -9.750 -11.596 1.249 1.00 0.00 C ATOM 1235 C GLY A 82 -10.393 -10.292 1.677 1.00 0.00 C ATOM 1236 O GLY A 82 -11.360 -10.289 2.439 1.00 0.00 O ATOM 0 H GLY A 82 -8.163 -11.602 -0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.306 -12.013 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.817 -12.315 2.065 1.00 0.00 H new ATOM 1240 N ARG A 83 -9.853 -9.180 1.189 1.00 0.00 N ATOM 1241 CA ARG A 83 -10.378 -7.863 1.528 1.00 0.00 C ATOM 1242 C ARG A 83 -10.003 -6.837 0.463 1.00 0.00 C ATOM 1243 O ARG A 83 -9.198 -7.116 -0.425 1.00 0.00 O ATOM 1244 CB ARG A 83 -9.848 -7.415 2.892 1.00 0.00 C ATOM 1245 CG ARG A 83 -10.698 -7.887 4.060 1.00 0.00 C ATOM 1246 CD ARG A 83 -10.485 -7.019 5.290 1.00 0.00 C ATOM 1247 NE ARG A 83 -11.276 -7.478 6.429 1.00 0.00 N ATOM 1248 CZ ARG A 83 -12.598 -7.363 6.499 1.00 0.00 C ATOM 1249 NH1 ARG A 83 -13.272 -6.807 5.502 1.00 0.00 N ATOM 1250 NH2 ARG A 83 -13.247 -7.805 7.568 1.00 0.00 N ATOM 0 H ARG A 83 -9.052 -9.165 0.558 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.465 -7.934 1.573 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.832 -7.789 3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.792 -6.327 2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.750 -7.867 3.777 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.451 -8.922 4.296 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.428 -7.023 5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.751 -5.988 5.056 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.787 -7.910 7.213 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.776 -6.466 4.679 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.287 -6.720 5.558 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.731 -8.233 8.337 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.262 -7.717 7.621 1.00 0.00 H new ATOM 1264 N GLU A 84 -10.594 -5.650 0.558 1.00 0.00 N ATOM 1265 CA GLU A 84 -10.322 -4.583 -0.398 1.00 0.00 C ATOM 1266 C GLU A 84 -9.245 -3.640 0.130 1.00 0.00 C ATOM 1267 O GLU A 84 -9.541 -2.671 0.831 1.00 0.00 O ATOM 1268 CB GLU A 84 -11.601 -3.798 -0.698 1.00 0.00 C ATOM 1269 CG GLU A 84 -12.406 -4.364 -1.855 1.00 0.00 C ATOM 1270 CD GLU A 84 -13.157 -5.628 -1.481 1.00 0.00 C ATOM 1271 OE1 GLU A 84 -14.216 -5.517 -0.829 1.00 0.00 O ATOM 1272 OE2 GLU A 84 -12.685 -6.727 -1.839 1.00 0.00 O ATOM 0 H GLU A 84 -11.264 -5.403 1.287 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.960 -5.040 -1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.226 -3.783 0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.339 -2.764 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.116 -3.613 -2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.737 -4.577 -2.689 1.00 0.00 H new ATOM 1279 N LEU A 85 -7.994 -3.930 -0.211 1.00 0.00 N ATOM 1280 CA LEU A 85 -6.872 -3.109 0.228 1.00 0.00 C ATOM 1281 C LEU A 85 -7.100 -1.642 -0.122 1.00 0.00 C ATOM 1282 O LEU A 85 -7.226 -1.286 -1.294 1.00 0.00 O ATOM 1283 CB LEU A 85 -5.573 -3.602 -0.412 1.00 0.00 C ATOM 1284 CG LEU A 85 -5.115 -5.003 -0.007 1.00 0.00 C ATOM 1285 CD1 LEU A 85 -3.947 -5.453 -0.871 1.00 0.00 C ATOM 1286 CD2 LEU A 85 -4.734 -5.035 1.466 1.00 0.00 C ATOM 0 H LEU A 85 -7.732 -4.728 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.792 -3.196 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.694 -3.580 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.779 -2.897 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.943 -5.694 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.634 -6.452 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.253 -5.470 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.115 -4.760 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.411 -6.040 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.921 -4.331 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.597 -4.756 2.071 1.00 0.00 H new ATOM 1298 N ARG A 86 -7.149 -0.795 0.901 1.00 0.00 N ATOM 1299 CA ARG A 86 -7.361 0.633 0.701 1.00 0.00 C ATOM 1300 C ARG A 86 -6.103 1.298 0.149 1.00 0.00 C ATOM 1301 O ARG A 86 -5.236 1.735 0.906 1.00 0.00 O ATOM 1302 CB ARG A 86 -7.767 1.300 2.017 1.00 0.00 C ATOM 1303 CG ARG A 86 -8.577 2.573 1.831 1.00 0.00 C ATOM 1304 CD ARG A 86 -9.822 2.324 0.995 1.00 0.00 C ATOM 1305 NE ARG A 86 -10.903 3.244 1.336 1.00 0.00 N ATOM 1306 CZ ARG A 86 -12.149 3.111 0.894 1.00 0.00 C ATOM 1307 NH1 ARG A 86 -12.469 2.100 0.099 1.00 0.00 N ATOM 1308 NH2 ARG A 86 -13.078 3.990 1.249 1.00 0.00 N ATOM 0 H ARG A 86 -7.045 -1.073 1.877 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.165 0.757 -0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.348 0.593 2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.869 1.532 2.589 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.865 2.968 2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.960 3.331 1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.576 2.429 -0.062 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.159 1.298 1.143 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.690 4.032 1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.758 1.422 -0.175 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.426 2.000 -0.239 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.836 4.769 1.862 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.034 3.887 0.909 1.00 0.00 H new ATOM 1322 N VAL A 87 -6.010 1.369 -1.175 1.00 0.00 N ATOM 1323 CA VAL A 87 -4.859 1.980 -1.828 1.00 0.00 C ATOM 1324 C VAL A 87 -5.230 3.319 -2.457 1.00 0.00 C ATOM 1325 O VAL A 87 -5.699 3.373 -3.593 1.00 0.00 O ATOM 1326 CB VAL A 87 -4.277 1.058 -2.917 1.00 0.00 C ATOM 1327 CG1 VAL A 87 -2.846 1.458 -3.246 1.00 0.00 C ATOM 1328 CG2 VAL A 87 -4.344 -0.396 -2.475 1.00 0.00 C ATOM 0 H VAL A 87 -6.718 1.011 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.106 2.140 -1.057 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.877 1.168 -3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.451 0.796 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.830 2.486 -3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.231 1.379 -2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.929 -1.033 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.769 -0.524 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.382 -0.674 -2.294 1.00 0.00 H new ATOM 1338 N GLN A 88 -5.015 4.396 -1.709 1.00 0.00 N ATOM 1339 CA GLN A 88 -5.327 5.736 -2.193 1.00 0.00 C ATOM 1340 C GLN A 88 -4.349 6.761 -1.629 1.00 0.00 C ATOM 1341 O GLN A 88 -3.505 6.435 -0.794 1.00 0.00 O ATOM 1342 CB GLN A 88 -6.759 6.117 -1.814 1.00 0.00 C ATOM 1343 CG GLN A 88 -6.932 6.441 -0.338 1.00 0.00 C ATOM 1344 CD GLN A 88 -8.387 6.480 0.084 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -9.040 5.442 0.198 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -8.904 7.680 0.320 1.00 0.00 N ATOM 0 H GLN A 88 -4.626 4.367 -0.766 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.234 5.733 -3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -7.065 6.980 -2.405 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -7.426 5.297 -2.078 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -6.405 5.696 0.258 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.470 7.405 -0.125 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.327 8.514 0.213 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.879 7.768 0.608 1.00 0.00 H new ATOM 1355 N VAL A 89 -4.468 8.002 -2.091 1.00 0.00 N ATOM 1356 CA VAL A 89 -3.594 9.075 -1.632 1.00 0.00 C ATOM 1357 C VAL A 89 -3.787 9.342 -0.143 1.00 0.00 C ATOM 1358 O VAL A 89 -4.866 9.117 0.403 1.00 0.00 O ATOM 1359 CB VAL A 89 -3.847 10.378 -2.413 1.00 0.00 C ATOM 1360 CG1 VAL A 89 -2.905 11.475 -1.942 1.00 0.00 C ATOM 1361 CG2 VAL A 89 -3.696 10.140 -3.908 1.00 0.00 C ATOM 0 H VAL A 89 -5.161 8.289 -2.782 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.570 8.747 -1.810 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.869 10.704 -2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.099 12.388 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.067 11.663 -0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.873 11.162 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.878 11.071 -4.445 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.686 9.790 -4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.416 9.388 -4.231 1.00 0.00 H new