USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 ASN : amide:sc= -4.84! C(o=-4.5!,f=-8!) USER MOD Set 1.2: A 90 THR OG1 : rot 170:sc= 0.348 USER MOD Single : A 16 MET CE :methyl 176:sc= 0 (180deg=-0.00474) USER MOD Single : A 34 SER OG : rot 160:sc= -0.4 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc=-0.00208 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0.519 K(o=0.52,f=-2.7!) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0155 X(o=-0.015,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -175:sc= -0.547 (180deg=-0.58) USER MOD Single : A 94 HIS : no HD1:sc=-0.00198 X(o=-0.002,f=0) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -13.306 -9.454 -0.613 1.00 0.00 N ATOM 123 CA VAL A 12 -11.951 -9.842 -0.966 1.00 0.00 C ATOM 124 C VAL A 12 -11.733 -11.310 -0.593 1.00 0.00 C ATOM 125 O VAL A 12 -12.125 -11.745 0.488 1.00 0.00 O ATOM 126 CB VAL A 12 -10.946 -8.901 -0.299 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.512 -9.392 -0.509 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.115 -7.468 -0.810 1.00 0.00 C ATOM 0 HA VAL A 12 -11.796 -9.752 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.147 -8.901 0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.818 -8.705 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.401 -10.386 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.295 -9.435 -1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.389 -6.819 -0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.954 -7.445 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.123 -7.118 -0.586 1.00 0.00 H new ATOM 138 N PRO A 13 -11.091 -12.053 -1.535 1.00 0.00 N ATOM 139 CA PRO A 13 -10.816 -13.463 -1.316 1.00 0.00 C ATOM 140 C PRO A 13 -9.660 -13.650 -0.332 1.00 0.00 C ATOM 141 O PRO A 13 -9.147 -12.678 0.221 1.00 0.00 O ATOM 142 CB PRO A 13 -10.517 -14.024 -2.697 1.00 0.00 C ATOM 143 CG PRO A 13 -10.179 -12.826 -3.570 1.00 0.00 C ATOM 144 CD PRO A 13 -10.613 -11.572 -2.828 1.00 0.00 C ATOM 0 HA PRO A 13 -11.654 -13.989 -0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.685 -14.728 -2.661 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.376 -14.566 -3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.110 -12.795 -3.779 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.689 -12.897 -4.530 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.783 -10.875 -2.709 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.398 -11.044 -3.369 1.00 0.00 H new ATOM 152 N ALA A 14 -9.284 -14.906 -0.142 1.00 0.00 N ATOM 153 CA ALA A 14 -8.198 -15.233 0.767 1.00 0.00 C ATOM 154 C ALA A 14 -6.932 -15.521 -0.042 1.00 0.00 C ATOM 155 O ALA A 14 -5.911 -15.918 0.518 1.00 0.00 O ATOM 156 CB ALA A 14 -8.608 -16.413 1.649 1.00 0.00 C ATOM 0 H ALA A 14 -9.712 -15.710 -0.602 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.983 -14.393 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.793 -16.658 2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.495 -16.146 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.829 -17.277 1.022 1.00 0.00 H new ATOM 162 N ASP A 15 -7.040 -15.311 -1.345 1.00 0.00 N ATOM 163 CA ASP A 15 -5.916 -15.543 -2.236 1.00 0.00 C ATOM 164 C ASP A 15 -5.357 -14.199 -2.707 1.00 0.00 C ATOM 165 O ASP A 15 -4.201 -14.114 -3.121 1.00 0.00 O ATOM 166 CB ASP A 15 -6.348 -16.334 -3.473 1.00 0.00 C ATOM 167 CG ASP A 15 -5.353 -17.399 -3.940 1.00 0.00 C ATOM 168 OD1 ASP A 15 -5.457 -18.535 -3.429 1.00 0.00 O ATOM 169 OD2 ASP A 15 -4.512 -17.053 -4.797 1.00 0.00 O ATOM 0 H ASP A 15 -7.889 -14.983 -1.806 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.164 -16.111 -1.688 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.302 -16.817 -3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.519 -15.635 -4.291 1.00 0.00 H new ATOM 174 N MET A 16 -6.202 -13.182 -2.626 1.00 0.00 N ATOM 175 CA MET A 16 -5.806 -11.846 -3.038 1.00 0.00 C ATOM 176 C MET A 16 -5.670 -10.917 -1.830 1.00 0.00 C ATOM 177 O MET A 16 -6.149 -11.234 -0.742 1.00 0.00 O ATOM 178 CB MET A 16 -6.850 -11.279 -4.003 1.00 0.00 C ATOM 179 CG MET A 16 -6.905 -12.097 -5.294 1.00 0.00 C ATOM 180 SD MET A 16 -7.369 -11.048 -6.662 1.00 0.00 S ATOM 181 CE MET A 16 -5.775 -10.367 -7.086 1.00 0.00 C ATOM 0 H MET A 16 -7.159 -13.256 -2.281 1.00 0.00 H new ATOM 0 HA MET A 16 -4.837 -11.911 -3.533 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.830 -11.280 -3.526 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.610 -10.242 -4.236 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.934 -12.552 -5.487 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.623 -12.910 -5.189 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.871 -9.740 -7.972 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.403 -9.767 -6.256 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.075 -11.178 -7.289 1.00 0.00 H new ATOM 191 N ILE A 17 -5.013 -9.790 -2.062 1.00 0.00 N ATOM 192 CA ILE A 17 -4.807 -8.814 -1.006 1.00 0.00 C ATOM 193 C ILE A 17 -5.404 -7.472 -1.434 1.00 0.00 C ATOM 194 O ILE A 17 -4.957 -6.873 -2.411 1.00 0.00 O ATOM 195 CB ILE A 17 -3.326 -8.735 -0.630 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.809 -10.094 -0.152 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.079 -7.633 0.402 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.343 -10.291 -0.544 1.00 0.00 C ATOM 0 H ILE A 17 -4.617 -9.531 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.327 -9.120 -0.098 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.761 -8.471 -1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.913 -10.166 0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.415 -10.890 -0.584 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.018 -7.599 0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.386 -6.672 -0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.657 -7.842 1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.000 -11.264 -0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.247 -10.242 -1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.737 -9.507 -0.090 1.00 0.00 H new ATOM 210 N ASN A 18 -6.406 -7.040 -0.682 1.00 0.00 N ATOM 211 CA ASN A 18 -7.069 -5.780 -0.972 1.00 0.00 C ATOM 212 C ASN A 18 -6.178 -4.623 -0.517 1.00 0.00 C ATOM 213 O ASN A 18 -5.734 -4.589 0.629 1.00 0.00 O ATOM 214 CB ASN A 18 -8.400 -5.673 -0.224 1.00 0.00 C ATOM 215 CG ASN A 18 -9.462 -4.992 -1.089 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.494 -5.128 -2.301 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.327 -4.252 -0.401 1.00 0.00 N ATOM 0 H ASN A 18 -6.775 -7.540 0.127 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.253 -5.736 -2.045 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.742 -6.668 0.062 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.259 -5.108 0.697 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.074 -3.756 -0.887 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.244 -4.181 0.613 1.00 0.00 H new ATOM 224 N LEU A 19 -5.942 -3.702 -1.440 1.00 0.00 N ATOM 225 CA LEU A 19 -5.111 -2.546 -1.149 1.00 0.00 C ATOM 226 C LEU A 19 -5.908 -1.269 -1.421 1.00 0.00 C ATOM 227 O LEU A 19 -6.593 -1.165 -2.437 1.00 0.00 O ATOM 228 CB LEU A 19 -3.793 -2.625 -1.922 1.00 0.00 C ATOM 229 CG LEU A 19 -2.757 -3.614 -1.383 1.00 0.00 C ATOM 230 CD1 LEU A 19 -1.368 -3.314 -1.948 1.00 0.00 C ATOM 231 CD2 LEU A 19 -2.762 -3.634 0.147 1.00 0.00 C ATOM 0 H LEU A 19 -6.312 -3.733 -2.390 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.835 -2.531 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.016 -2.891 -2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.344 -1.632 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.032 -4.614 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.650 -4.031 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.393 -3.392 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.069 -2.305 -1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.017 -4.345 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.525 -2.639 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.748 -3.932 0.504 1.00 0.00 H new ATOM 243 N ARG A 20 -5.792 -0.328 -0.495 1.00 0.00 N ATOM 244 CA ARG A 20 -6.494 0.938 -0.623 1.00 0.00 C ATOM 245 C ARG A 20 -5.552 2.014 -1.167 1.00 0.00 C ATOM 246 O ARG A 20 -4.547 2.342 -0.537 1.00 0.00 O ATOM 247 CB ARG A 20 -7.054 1.395 0.726 1.00 0.00 C ATOM 248 CG ARG A 20 -8.135 2.462 0.537 1.00 0.00 C ATOM 249 CD ARG A 20 -9.194 2.370 1.637 1.00 0.00 C ATOM 250 NE ARG A 20 -10.469 1.875 1.073 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.626 1.840 1.748 1.00 0.00 C ATOM 252 NH1 ARG A 20 -11.676 2.271 3.015 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.734 1.374 1.155 1.00 0.00 N ATOM 0 H ARG A 20 -5.223 -0.417 0.347 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.322 0.790 -1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.470 0.541 1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.248 1.794 1.342 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.679 3.452 0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.606 2.338 -0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.852 1.701 2.427 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.344 3.349 2.091 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.467 1.539 0.110 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.833 2.626 3.467 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.557 2.244 3.528 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.696 1.046 0.190 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.615 1.347 1.669 1.00 0.00 H new ATOM 267 N LEU A 21 -5.910 2.534 -2.332 1.00 0.00 N ATOM 268 CA LEU A 21 -5.109 3.566 -2.968 1.00 0.00 C ATOM 269 C LEU A 21 -5.705 4.938 -2.647 1.00 0.00 C ATOM 270 O LEU A 21 -6.754 5.303 -3.176 1.00 0.00 O ATOM 271 CB LEU A 21 -4.972 3.291 -4.467 1.00 0.00 C ATOM 272 CG LEU A 21 -4.026 2.154 -4.856 1.00 0.00 C ATOM 273 CD1 LEU A 21 -2.566 2.557 -4.638 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.382 0.865 -4.112 1.00 0.00 C ATOM 0 H LEU A 21 -6.744 2.260 -2.852 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.094 3.558 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.961 3.067 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.630 4.204 -4.954 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.150 1.956 -5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.914 1.731 -4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.334 3.429 -5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.408 2.799 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.694 0.073 -4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.304 1.032 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.402 0.571 -4.361 1.00 0.00 H new ATOM 286 N ILE A 22 -5.010 5.662 -1.781 1.00 0.00 N ATOM 287 CA ILE A 22 -5.458 6.986 -1.383 1.00 0.00 C ATOM 288 C ILE A 22 -4.688 8.041 -2.180 1.00 0.00 C ATOM 289 O ILE A 22 -3.485 7.905 -2.395 1.00 0.00 O ATOM 290 CB ILE A 22 -5.344 7.157 0.133 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.124 6.065 0.868 1.00 0.00 C ATOM 292 CG2 ILE A 22 -5.779 8.560 0.561 1.00 0.00 C ATOM 293 CD1 ILE A 22 -5.307 5.493 2.029 1.00 0.00 C ATOM 0 H ILE A 22 -4.140 5.357 -1.344 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.515 7.117 -1.617 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.296 7.047 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.061 6.474 1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.382 5.267 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.688 8.655 1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.143 9.301 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.816 8.725 0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.885 4.719 2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.382 5.063 1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.072 6.289 2.735 1.00 0.00 H new ATOM 416 N GLU A 30 -10.218 0.992 -3.514 1.00 0.00 N ATOM 417 CA GLU A 30 -9.759 -0.322 -3.097 1.00 0.00 C ATOM 418 C GLU A 30 -9.429 -1.182 -4.319 1.00 0.00 C ATOM 419 O GLU A 30 -10.220 -1.263 -5.257 1.00 0.00 O ATOM 420 CB GLU A 30 -10.797 -1.009 -2.208 1.00 0.00 C ATOM 421 CG GLU A 30 -12.123 -1.187 -2.950 1.00 0.00 C ATOM 422 CD GLU A 30 -13.082 -2.074 -2.153 1.00 0.00 C ATOM 423 OE1 GLU A 30 -12.902 -3.309 -2.222 1.00 0.00 O ATOM 424 OE2 GLU A 30 -13.974 -1.496 -1.494 1.00 0.00 O ATOM 0 HA GLU A 30 -8.850 -0.197 -2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.421 -1.981 -1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.957 -0.418 -1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.581 -0.213 -3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.940 -1.631 -3.929 1.00 0.00 H new ATOM 431 N PHE A 31 -8.259 -1.802 -4.268 1.00 0.00 N ATOM 432 CA PHE A 31 -7.815 -2.653 -5.359 1.00 0.00 C ATOM 433 C PHE A 31 -7.507 -4.067 -4.861 1.00 0.00 C ATOM 434 O PHE A 31 -7.669 -4.361 -3.678 1.00 0.00 O ATOM 435 CB PHE A 31 -6.533 -2.031 -5.917 1.00 0.00 C ATOM 436 CG PHE A 31 -6.771 -1.013 -7.034 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.364 -1.402 -8.194 1.00 0.00 C ATOM 438 CD2 PHE A 31 -6.390 0.282 -6.866 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.585 -0.457 -9.231 1.00 0.00 C ATOM 440 CE2 PHE A 31 -6.611 1.227 -7.903 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.204 0.838 -9.063 1.00 0.00 C ATOM 0 H PHE A 31 -7.605 -1.732 -3.488 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.596 -2.726 -6.116 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.994 -1.544 -5.104 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.890 -2.826 -6.295 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.667 -2.430 -8.327 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.920 0.591 -5.944 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.055 -0.766 -10.153 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.308 2.255 -7.770 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.373 1.557 -9.851 1.00 0.00 H new ATOM 451 N LEU A 32 -7.068 -4.904 -5.790 1.00 0.00 N ATOM 452 CA LEU A 32 -6.736 -6.279 -5.460 1.00 0.00 C ATOM 453 C LEU A 32 -5.357 -6.617 -6.030 1.00 0.00 C ATOM 454 O LEU A 32 -5.045 -6.257 -7.165 1.00 0.00 O ATOM 455 CB LEU A 32 -7.843 -7.225 -5.929 1.00 0.00 C ATOM 456 CG LEU A 32 -9.066 -7.331 -5.015 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.363 -7.275 -5.826 1.00 0.00 C ATOM 458 CD2 LEU A 32 -8.991 -8.584 -4.141 1.00 0.00 C ATOM 0 H LEU A 32 -6.935 -4.656 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.675 -6.407 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.177 -6.901 -6.914 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.416 -8.221 -6.049 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.067 -6.471 -4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.217 -7.352 -5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.413 -6.331 -6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.384 -8.102 -6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.872 -8.635 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.952 -9.469 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.095 -8.543 -3.522 1.00 0.00 H new ATOM 470 N PHE A 33 -4.568 -7.305 -5.218 1.00 0.00 N ATOM 471 CA PHE A 33 -3.230 -7.695 -5.627 1.00 0.00 C ATOM 472 C PHE A 33 -2.872 -9.080 -5.084 1.00 0.00 C ATOM 473 O PHE A 33 -3.566 -9.609 -4.217 1.00 0.00 O ATOM 474 CB PHE A 33 -2.264 -6.665 -5.039 1.00 0.00 C ATOM 475 CG PHE A 33 -2.474 -5.243 -5.565 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.468 -5.006 -6.904 1.00 0.00 C ATOM 477 CD2 PHE A 33 -2.667 -4.217 -4.694 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.663 -3.687 -7.392 1.00 0.00 C ATOM 479 CE2 PHE A 33 -2.862 -2.898 -5.182 1.00 0.00 C ATOM 480 CZ PHE A 33 -2.856 -2.661 -6.521 1.00 0.00 C ATOM 0 H PHE A 33 -4.830 -7.602 -4.278 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.171 -7.734 -6.715 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.371 -6.660 -3.954 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.242 -6.975 -5.257 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.315 -5.821 -7.596 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.672 -4.405 -3.631 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.658 -3.499 -8.455 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.015 -2.083 -4.490 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.005 -1.658 -6.893 1.00 0.00 H new ATOM 490 N SER A 34 -1.789 -9.627 -5.616 1.00 0.00 N ATOM 491 CA SER A 34 -1.331 -10.941 -5.195 1.00 0.00 C ATOM 492 C SER A 34 -0.062 -10.806 -4.351 1.00 0.00 C ATOM 493 O SER A 34 0.593 -9.765 -4.369 1.00 0.00 O ATOM 494 CB SER A 34 -1.073 -11.846 -6.401 1.00 0.00 C ATOM 495 OG SER A 34 0.176 -12.526 -6.301 1.00 0.00 O ATOM 0 H SER A 34 -1.215 -9.185 -6.334 1.00 0.00 H new ATOM 0 HA SER A 34 -2.114 -11.400 -4.592 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.878 -12.576 -6.485 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.089 -11.249 -7.313 1.00 0.00 H new ATOM 0 HG SER A 34 0.170 -13.309 -6.890 1.00 0.00 H new ATOM 501 N PRO A 35 0.257 -11.904 -3.613 1.00 0.00 N ATOM 502 CA PRO A 35 1.436 -11.918 -2.764 1.00 0.00 C ATOM 503 C PRO A 35 2.710 -12.067 -3.599 1.00 0.00 C ATOM 504 O PRO A 35 3.817 -11.982 -3.068 1.00 0.00 O ATOM 505 CB PRO A 35 1.216 -13.076 -1.805 1.00 0.00 C ATOM 506 CG PRO A 35 0.150 -13.951 -2.445 1.00 0.00 C ATOM 507 CD PRO A 35 -0.495 -13.154 -3.567 1.00 0.00 C ATOM 0 HA PRO A 35 1.572 -10.985 -2.217 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.139 -13.635 -1.650 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.892 -12.718 -0.828 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.592 -14.868 -2.834 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.597 -14.244 -1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.436 -13.687 -4.516 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.551 -12.974 -3.368 1.00 0.00 H new ATOM 515 N ASN A 36 2.511 -12.286 -4.890 1.00 0.00 N ATOM 516 CA ASN A 36 3.630 -12.447 -5.803 1.00 0.00 C ATOM 517 C ASN A 36 3.843 -11.145 -6.577 1.00 0.00 C ATOM 518 O ASN A 36 4.902 -10.935 -7.167 1.00 0.00 O ATOM 519 CB ASN A 36 3.359 -13.561 -6.816 1.00 0.00 C ATOM 520 CG ASN A 36 4.127 -14.833 -6.452 1.00 0.00 C ATOM 521 OD1 ASN A 36 5.265 -15.035 -6.841 1.00 0.00 O ATOM 522 ND2 ASN A 36 3.443 -15.677 -5.685 1.00 0.00 N ATOM 0 H ASN A 36 1.591 -12.356 -5.326 1.00 0.00 H new ATOM 0 HA ASN A 36 4.511 -12.702 -5.214 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.291 -13.774 -6.850 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.650 -13.229 -7.813 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.869 -16.555 -5.387 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.493 -15.446 -5.394 1.00 0.00 H new ATOM 529 N ASP A 37 2.820 -10.304 -6.550 1.00 0.00 N ATOM 530 CA ASP A 37 2.882 -9.028 -7.243 1.00 0.00 C ATOM 531 C ASP A 37 3.752 -8.059 -6.440 1.00 0.00 C ATOM 532 O ASP A 37 3.684 -8.028 -5.212 1.00 0.00 O ATOM 533 CB ASP A 37 1.490 -8.409 -7.381 1.00 0.00 C ATOM 534 CG ASP A 37 0.589 -9.068 -8.428 1.00 0.00 C ATOM 535 OD1 ASP A 37 0.997 -10.136 -8.935 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.486 -8.491 -8.697 1.00 0.00 O ATOM 0 H ASP A 37 1.943 -10.481 -6.059 1.00 0.00 H new ATOM 0 HA ASP A 37 3.300 -9.202 -8.235 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.991 -8.456 -6.413 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.601 -7.354 -7.632 1.00 0.00 H new ATOM 541 N SER A 38 4.551 -7.291 -7.167 1.00 0.00 N ATOM 542 CA SER A 38 5.434 -6.324 -6.538 1.00 0.00 C ATOM 543 C SER A 38 4.790 -4.936 -6.557 1.00 0.00 C ATOM 544 O SER A 38 3.787 -4.724 -7.237 1.00 0.00 O ATOM 545 CB SER A 38 6.796 -6.286 -7.235 1.00 0.00 C ATOM 546 OG SER A 38 6.711 -5.729 -8.543 1.00 0.00 O ATOM 0 H SER A 38 4.605 -7.319 -8.185 1.00 0.00 H new ATOM 0 HA SER A 38 5.593 -6.630 -5.504 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.493 -5.700 -6.636 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.200 -7.297 -7.297 1.00 0.00 H new ATOM 0 HG SER A 38 7.601 -5.721 -8.954 1.00 0.00 H new ATOM 552 N ALA A 39 5.392 -4.028 -5.804 1.00 0.00 N ATOM 553 CA ALA A 39 4.889 -2.667 -5.726 1.00 0.00 C ATOM 554 C ALA A 39 4.630 -2.143 -7.140 1.00 0.00 C ATOM 555 O ALA A 39 3.624 -1.478 -7.385 1.00 0.00 O ATOM 556 CB ALA A 39 5.885 -1.798 -4.955 1.00 0.00 C ATOM 0 H ALA A 39 6.224 -4.208 -5.242 1.00 0.00 H new ATOM 0 HA ALA A 39 3.943 -2.637 -5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.508 -0.777 -4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.012 -2.196 -3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.845 -1.801 -5.470 1.00 0.00 H new ATOM 562 N SER A 40 5.554 -2.461 -8.034 1.00 0.00 N ATOM 563 CA SER A 40 5.438 -2.030 -9.417 1.00 0.00 C ATOM 564 C SER A 40 4.091 -2.472 -9.991 1.00 0.00 C ATOM 565 O SER A 40 3.340 -1.654 -10.521 1.00 0.00 O ATOM 566 CB SER A 40 6.584 -2.585 -10.265 1.00 0.00 C ATOM 567 OG SER A 40 6.297 -2.521 -11.659 1.00 0.00 O ATOM 0 H SER A 40 6.387 -3.012 -7.828 1.00 0.00 H new ATOM 0 HA SER A 40 5.497 -0.942 -9.442 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.494 -2.023 -10.056 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.776 -3.620 -9.982 1.00 0.00 H new ATOM 0 HG SER A 40 7.054 -2.883 -12.166 1.00 0.00 H new ATOM 573 N ASP A 41 3.825 -3.764 -9.866 1.00 0.00 N ATOM 574 CA ASP A 41 2.581 -4.324 -10.366 1.00 0.00 C ATOM 575 C ASP A 41 1.403 -3.544 -9.778 1.00 0.00 C ATOM 576 O ASP A 41 0.433 -3.258 -10.478 1.00 0.00 O ATOM 577 CB ASP A 41 2.431 -5.789 -9.953 1.00 0.00 C ATOM 578 CG ASP A 41 2.036 -6.742 -11.083 1.00 0.00 C ATOM 579 OD1 ASP A 41 1.131 -6.361 -11.856 1.00 0.00 O ATOM 580 OD2 ASP A 41 2.648 -7.830 -11.148 1.00 0.00 O ATOM 0 H ASP A 41 4.450 -4.439 -9.426 1.00 0.00 H new ATOM 0 HA ASP A 41 2.594 -4.256 -11.454 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.374 -6.128 -9.525 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.681 -5.854 -9.165 1.00 0.00 H new ATOM 585 N ILE A 42 1.527 -3.223 -8.499 1.00 0.00 N ATOM 586 CA ILE A 42 0.485 -2.482 -7.809 1.00 0.00 C ATOM 587 C ILE A 42 0.356 -1.091 -8.432 1.00 0.00 C ATOM 588 O ILE A 42 -0.603 -0.815 -9.151 1.00 0.00 O ATOM 589 CB ILE A 42 0.751 -2.459 -6.303 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.715 -3.872 -5.717 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.220 -1.517 -5.588 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.141 -3.868 -4.248 1.00 0.00 C ATOM 0 H ILE A 42 2.333 -3.462 -7.922 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.478 -2.977 -7.931 1.00 0.00 H new ATOM 0 HB ILE A 42 1.756 -2.069 -6.141 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.291 -4.281 -5.806 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.376 -4.524 -6.289 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.009 -1.520 -4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.101 -0.506 -5.979 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.243 -1.853 -5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.106 -4.885 -3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.157 -3.481 -4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.464 -3.235 -3.675 1.00 0.00 H new ATOM 604 N ALA A 43 1.337 -0.251 -8.134 1.00 0.00 N ATOM 605 CA ALA A 43 1.345 1.105 -8.656 1.00 0.00 C ATOM 606 C ALA A 43 0.882 1.088 -10.115 1.00 0.00 C ATOM 607 O ALA A 43 -0.158 1.654 -10.446 1.00 0.00 O ATOM 608 CB ALA A 43 2.743 1.706 -8.495 1.00 0.00 C ATOM 0 H ALA A 43 2.131 -0.483 -7.538 1.00 0.00 H new ATOM 0 HA ALA A 43 0.653 1.735 -8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.749 2.723 -8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.013 1.722 -7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.464 1.101 -9.045 1.00 0.00 H new ATOM 614 N LYS A 44 1.678 0.433 -10.947 1.00 0.00 N ATOM 615 CA LYS A 44 1.363 0.335 -12.362 1.00 0.00 C ATOM 616 C LYS A 44 -0.120 -0.001 -12.528 1.00 0.00 C ATOM 617 O LYS A 44 -0.870 0.765 -13.131 1.00 0.00 O ATOM 618 CB LYS A 44 2.300 -0.659 -13.052 1.00 0.00 C ATOM 619 CG LYS A 44 2.309 -0.443 -14.567 1.00 0.00 C ATOM 620 CD LYS A 44 3.387 0.564 -14.971 1.00 0.00 C ATOM 621 CE LYS A 44 2.923 1.421 -16.150 1.00 0.00 C ATOM 622 NZ LYS A 44 2.956 2.857 -15.792 1.00 0.00 N ATOM 0 H LYS A 44 2.540 -0.035 -10.668 1.00 0.00 H new ATOM 0 HA LYS A 44 1.531 1.292 -12.857 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.310 -0.545 -12.659 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.984 -1.678 -12.828 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.486 -1.393 -15.072 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.332 -0.086 -14.893 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.627 1.205 -14.123 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.302 0.035 -15.239 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.564 1.240 -17.013 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.912 1.135 -16.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.638 3.424 -16.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.326 3.027 -14.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.927 3.129 -15.538 1.00 0.00 H new ATOM 636 N HIS A 45 -0.499 -1.148 -11.982 1.00 0.00 N ATOM 637 CA HIS A 45 -1.879 -1.595 -12.062 1.00 0.00 C ATOM 638 C HIS A 45 -2.817 -0.402 -11.864 1.00 0.00 C ATOM 639 O HIS A 45 -3.626 -0.092 -12.737 1.00 0.00 O ATOM 640 CB HIS A 45 -2.142 -2.728 -11.068 1.00 0.00 C ATOM 641 CG HIS A 45 -3.605 -3.044 -10.870 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.256 -4.048 -11.565 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.535 -2.479 -10.048 1.00 0.00 C ATOM 644 CE1 HIS A 45 -5.521 -4.077 -11.172 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.692 -3.103 -10.232 1.00 0.00 N ATOM 0 H HIS A 45 0.126 -1.781 -11.483 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.075 -2.007 -13.052 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.630 -3.626 -11.413 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.705 -2.462 -10.106 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.360 -1.662 -9.363 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.283 -4.753 -11.532 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.565 -2.889 -9.750 1.00 0.00 H new ATOM 997 N LEU A 67 5.290 3.971 -2.990 1.00 0.00 N ATOM 998 CA LEU A 67 4.055 3.611 -2.313 1.00 0.00 C ATOM 999 C LEU A 67 4.268 3.686 -0.800 1.00 0.00 C ATOM 1000 O LEU A 67 5.148 3.018 -0.260 1.00 0.00 O ATOM 1001 CB LEU A 67 3.557 2.248 -2.798 1.00 0.00 C ATOM 1002 CG LEU A 67 3.183 1.244 -1.706 1.00 0.00 C ATOM 1003 CD1 LEU A 67 1.918 1.682 -0.967 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.051 -0.168 -2.282 1.00 0.00 C ATOM 0 HA LEU A 67 3.264 4.319 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.685 2.407 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.330 1.803 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 67 3.990 1.220 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.675 0.950 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.085 2.655 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.091 1.754 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.785 -0.863 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.274 -0.178 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.000 -0.471 -2.725 1.00 0.00 H new ATOM 1016 N ILE A 68 3.446 4.504 -0.159 1.00 0.00 N ATOM 1017 CA ILE A 68 3.533 4.674 1.281 1.00 0.00 C ATOM 1018 C ILE A 68 2.530 3.740 1.962 1.00 0.00 C ATOM 1019 O ILE A 68 1.383 3.634 1.532 1.00 0.00 O ATOM 1020 CB ILE A 68 3.355 6.146 1.658 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.561 6.976 1.212 1.00 0.00 C ATOM 1022 CG2 ILE A 68 3.076 6.299 3.155 1.00 0.00 C ATOM 1023 CD1 ILE A 68 4.268 7.710 -0.097 1.00 0.00 C ATOM 0 H ILE A 68 2.717 5.056 -0.611 1.00 0.00 H new ATOM 0 HA ILE A 68 4.524 4.394 1.638 1.00 0.00 H new ATOM 0 HB ILE A 68 2.485 6.532 1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.817 7.697 1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.426 6.326 1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.954 7.355 3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.164 5.760 3.412 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.911 5.891 3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.141 8.292 -0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.036 6.985 -0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.417 8.377 0.043 1.00 0.00 H new ATOM 1035 N TYR A 69 3.000 3.086 3.014 1.00 0.00 N ATOM 1036 CA TYR A 69 2.160 2.164 3.759 1.00 0.00 C ATOM 1037 C TYR A 69 2.339 2.354 5.267 1.00 0.00 C ATOM 1038 O TYR A 69 3.446 2.219 5.786 1.00 0.00 O ATOM 1039 CB TYR A 69 2.630 0.760 3.375 1.00 0.00 C ATOM 1040 CG TYR A 69 2.003 -0.357 4.211 1.00 0.00 C ATOM 1041 CD1 TYR A 69 0.730 -0.204 4.724 1.00 0.00 C ATOM 1042 CD2 TYR A 69 2.709 -1.518 4.453 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.140 -1.256 5.511 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.119 -2.569 5.241 1.00 0.00 C ATOM 1045 CZ TYR A 69 0.863 -2.386 5.730 1.00 0.00 C ATOM 1046 OH TYR A 69 0.305 -3.379 6.474 1.00 0.00 O ATOM 0 H TYR A 69 3.952 3.176 3.368 1.00 0.00 H new ATOM 0 HA TYR A 69 1.108 2.331 3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.400 0.586 2.324 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.714 0.711 3.476 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.177 0.704 4.535 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.704 -1.638 4.051 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.855 -1.149 5.918 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.661 -3.482 5.439 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.668 -3.365 6.361 1.00 0.00 H new ATOM 1056 N GLN A 70 1.233 2.665 5.927 1.00 0.00 N ATOM 1057 CA GLN A 70 1.254 2.875 7.365 1.00 0.00 C ATOM 1058 C GLN A 70 2.084 4.114 7.708 1.00 0.00 C ATOM 1059 O GLN A 70 2.390 4.356 8.874 1.00 0.00 O ATOM 1060 CB GLN A 70 1.787 1.639 8.092 1.00 0.00 C ATOM 1061 CG GLN A 70 0.644 0.704 8.494 1.00 0.00 C ATOM 1062 CD GLN A 70 0.725 0.349 9.980 1.00 0.00 C ATOM 1063 OE1 GLN A 70 1.630 -0.332 10.434 1.00 0.00 O ATOM 1064 NE2 GLN A 70 -0.270 0.845 10.710 1.00 0.00 N ATOM 0 H GLN A 70 0.317 2.777 5.493 1.00 0.00 H new ATOM 0 HA GLN A 70 0.231 3.042 7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.487 1.107 7.448 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.340 1.945 8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.313 1.181 8.282 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.686 -0.206 7.896 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.996 1.408 10.267 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.307 0.663 11.713 1.00 0.00 H new ATOM 1073 N GLY A 71 2.424 4.865 6.671 1.00 0.00 N ATOM 1074 CA GLY A 71 3.213 6.072 6.848 1.00 0.00 C ATOM 1075 C GLY A 71 4.589 5.929 6.194 1.00 0.00 C ATOM 1076 O GLY A 71 5.118 6.890 5.637 1.00 0.00 O ATOM 0 H GLY A 71 2.167 4.661 5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.687 6.922 6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.332 6.280 7.911 1.00 0.00 H new ATOM 1080 N ARG A 72 5.129 4.723 6.285 1.00 0.00 N ATOM 1081 CA ARG A 72 6.433 4.442 5.709 1.00 0.00 C ATOM 1082 C ARG A 72 6.309 4.206 4.203 1.00 0.00 C ATOM 1083 O ARG A 72 5.203 4.181 3.664 1.00 0.00 O ATOM 1084 CB ARG A 72 7.069 3.212 6.361 1.00 0.00 C ATOM 1085 CG ARG A 72 7.595 3.542 7.759 1.00 0.00 C ATOM 1086 CD ARG A 72 7.960 2.267 8.522 1.00 0.00 C ATOM 1087 NE ARG A 72 8.897 2.587 9.622 1.00 0.00 N ATOM 1088 CZ ARG A 72 9.144 1.775 10.659 1.00 0.00 C ATOM 1089 NH1 ARG A 72 8.524 0.590 10.744 1.00 0.00 N ATOM 1090 NH2 ARG A 72 10.010 2.148 11.611 1.00 0.00 N ATOM 0 H ARG A 72 4.687 3.929 6.749 1.00 0.00 H new ATOM 0 HA ARG A 72 7.070 5.307 5.893 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.334 2.409 6.425 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.886 2.847 5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.471 4.186 7.679 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.840 4.099 8.314 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.059 1.803 8.924 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.415 1.545 7.844 1.00 0.00 H new ATOM 0 HE ARG A 72 9.385 3.482 9.589 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.864 0.306 10.020 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.712 -0.028 11.533 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.481 3.050 11.546 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.198 1.530 12.400 1.00 0.00 H new ATOM 1104 N PHE A 73 7.458 4.038 3.565 1.00 0.00 N ATOM 1105 CA PHE A 73 7.492 3.805 2.132 1.00 0.00 C ATOM 1106 C PHE A 73 7.973 2.387 1.818 1.00 0.00 C ATOM 1107 O PHE A 73 8.921 1.899 2.432 1.00 0.00 O ATOM 1108 CB PHE A 73 8.482 4.809 1.538 1.00 0.00 C ATOM 1109 CG PHE A 73 8.093 6.272 1.761 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.155 6.810 3.009 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.685 7.035 0.712 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.794 8.167 3.216 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.325 8.393 0.919 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.387 8.930 2.167 1.00 0.00 C ATOM 0 H PHE A 73 8.373 4.059 4.015 1.00 0.00 H new ATOM 0 HA PHE A 73 6.493 3.922 1.713 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.466 4.635 1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.571 4.626 0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.479 6.204 3.842 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.635 6.608 -0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.843 8.593 4.207 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.002 8.999 0.086 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.113 9.963 2.325 1.00 0.00 H new ATOM 1124 N LEU A 74 7.297 1.765 0.863 1.00 0.00 N ATOM 1125 CA LEU A 74 7.644 0.413 0.460 1.00 0.00 C ATOM 1126 C LEU A 74 8.537 0.468 -0.780 1.00 0.00 C ATOM 1127 O LEU A 74 8.430 1.390 -1.587 1.00 0.00 O ATOM 1128 CB LEU A 74 6.381 -0.431 0.272 1.00 0.00 C ATOM 1129 CG LEU A 74 5.459 -0.538 1.488 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.210 -1.357 1.158 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.209 -1.098 2.697 1.00 0.00 C ATOM 0 H LEU A 74 6.511 2.173 0.357 1.00 0.00 H new ATOM 0 HA LEU A 74 8.217 -0.083 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.809 -0.014 -0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.681 -1.437 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 74 5.125 0.465 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.571 -1.418 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.664 -0.876 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.504 -2.361 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.531 -1.164 3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.591 -2.091 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.041 -0.439 2.946 1.00 0.00 H new ATOM 1143 N HIS A 75 9.399 -0.532 -0.895 1.00 0.00 N ATOM 1144 CA HIS A 75 10.311 -0.610 -2.023 1.00 0.00 C ATOM 1145 C HIS A 75 9.537 -1.005 -3.282 1.00 0.00 C ATOM 1146 O HIS A 75 8.430 -1.535 -3.194 1.00 0.00 O ATOM 1147 CB HIS A 75 11.473 -1.557 -1.720 1.00 0.00 C ATOM 1148 CG HIS A 75 12.825 -1.020 -2.124 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.474 -1.417 -3.281 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.643 -0.115 -1.515 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.630 -0.773 -3.353 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.733 0.033 -2.258 1.00 0.00 N ATOM 0 H HIS A 75 9.485 -1.296 -0.224 1.00 0.00 H new ATOM 0 HA HIS A 75 10.755 0.369 -2.203 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.484 -1.772 -0.652 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.301 -2.503 -2.234 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.439 0.395 -0.585 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.362 -0.870 -4.141 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.518 0.648 -2.045 1.00 0.00 H new ATOM 1160 N GLY A 76 10.149 -0.732 -4.425 1.00 0.00 N ATOM 1161 CA GLY A 76 9.531 -1.053 -5.700 1.00 0.00 C ATOM 1162 C GLY A 76 9.726 -2.530 -6.048 1.00 0.00 C ATOM 1163 O GLY A 76 9.001 -3.078 -6.877 1.00 0.00 O ATOM 0 H GLY A 76 11.067 -0.292 -4.495 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.466 -0.823 -5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.963 -0.431 -6.484 1.00 0.00 H new ATOM 1167 N ASN A 77 10.710 -3.134 -5.397 1.00 0.00 N ATOM 1168 CA ASN A 77 11.010 -4.537 -5.627 1.00 0.00 C ATOM 1169 C ASN A 77 10.267 -5.388 -4.595 1.00 0.00 C ATOM 1170 O ASN A 77 10.182 -6.607 -4.737 1.00 0.00 O ATOM 1171 CB ASN A 77 12.507 -4.812 -5.477 1.00 0.00 C ATOM 1172 CG ASN A 77 13.072 -5.473 -6.736 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.885 -6.653 -6.986 1.00 0.00 O ATOM 1174 ND2 ASN A 77 13.772 -4.650 -7.512 1.00 0.00 N ATOM 0 H ASN A 77 11.310 -2.677 -4.710 1.00 0.00 H new ATOM 0 HA ASN A 77 10.698 -4.787 -6.641 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.034 -3.878 -5.285 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.677 -5.458 -4.615 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.191 -4.996 -8.375 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.890 -3.673 -7.244 1.00 0.00 H new ATOM 1181 N VAL A 78 9.750 -4.712 -3.580 1.00 0.00 N ATOM 1182 CA VAL A 78 9.017 -5.392 -2.524 1.00 0.00 C ATOM 1183 C VAL A 78 7.780 -6.066 -3.120 1.00 0.00 C ATOM 1184 O VAL A 78 7.257 -5.620 -4.141 1.00 0.00 O ATOM 1185 CB VAL A 78 8.680 -4.406 -1.404 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.479 -4.892 -0.590 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.892 -4.165 -0.502 1.00 0.00 C ATOM 0 H VAL A 78 9.824 -3.701 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 78 9.629 -6.175 -2.077 1.00 0.00 H new ATOM 0 HB VAL A 78 8.411 -3.455 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.260 -4.173 0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.612 -4.989 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.708 -5.861 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.625 -3.460 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.206 -5.108 -0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.710 -3.755 -1.094 1.00 0.00 H new ATOM 1197 N THR A 79 7.348 -7.129 -2.459 1.00 0.00 N ATOM 1198 CA THR A 79 6.182 -7.869 -2.910 1.00 0.00 C ATOM 1199 C THR A 79 5.310 -8.269 -1.719 1.00 0.00 C ATOM 1200 O THR A 79 5.823 -8.688 -0.682 1.00 0.00 O ATOM 1201 CB THR A 79 6.669 -9.062 -3.735 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.835 -9.507 -3.046 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.187 -8.649 -5.114 1.00 0.00 C ATOM 0 H THR A 79 7.785 -7.496 -1.614 1.00 0.00 H new ATOM 0 HA THR A 79 5.545 -7.254 -3.546 1.00 0.00 H new ATOM 0 HB THR A 79 5.855 -9.778 -3.853 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.215 -10.280 -3.512 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.520 -9.533 -5.657 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.388 -8.160 -5.671 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.023 -7.959 -4.997 1.00 0.00 H new ATOM 1211 N LEU A 80 4.006 -8.126 -1.906 1.00 0.00 N ATOM 1212 CA LEU A 80 3.058 -8.468 -0.860 1.00 0.00 C ATOM 1213 C LEU A 80 3.480 -9.784 -0.204 1.00 0.00 C ATOM 1214 O LEU A 80 3.209 -10.010 0.974 1.00 0.00 O ATOM 1215 CB LEU A 80 1.632 -8.487 -1.414 1.00 0.00 C ATOM 1216 CG LEU A 80 0.994 -7.120 -1.672 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.388 -7.271 -2.310 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.944 -6.288 -0.389 1.00 0.00 C ATOM 0 H LEU A 80 3.584 -7.778 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 80 3.062 -7.707 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.634 -9.047 -2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.999 -9.035 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 80 1.620 -6.580 -2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.819 -6.285 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.295 -7.797 -3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.037 -7.839 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.486 -5.321 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.354 -6.813 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.956 -6.136 -0.014 1.00 0.00 H new ATOM 1230 N GLY A 81 4.137 -10.618 -0.996 1.00 0.00 N ATOM 1231 CA GLY A 81 4.600 -11.906 -0.507 1.00 0.00 C ATOM 1232 C GLY A 81 5.603 -11.731 0.635 1.00 0.00 C ATOM 1233 O GLY A 81 5.516 -12.417 1.652 1.00 0.00 O ATOM 0 H GLY A 81 4.360 -10.427 -1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.750 -12.495 -0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.064 -12.463 -1.321 1.00 0.00 H new ATOM 1237 N ALA A 82 6.531 -10.809 0.429 1.00 0.00 N ATOM 1238 CA ALA A 82 7.549 -10.535 1.429 1.00 0.00 C ATOM 1239 C ALA A 82 6.913 -9.801 2.610 1.00 0.00 C ATOM 1240 O ALA A 82 7.409 -9.877 3.733 1.00 0.00 O ATOM 1241 CB ALA A 82 8.689 -9.737 0.792 1.00 0.00 C ATOM 0 H ALA A 82 6.600 -10.242 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 82 7.974 -11.464 1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.453 -9.531 1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.126 -10.314 -0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.301 -8.796 0.402 1.00 0.00 H new ATOM 1247 N LEU A 83 5.823 -9.106 2.317 1.00 0.00 N ATOM 1248 CA LEU A 83 5.114 -8.359 3.341 1.00 0.00 C ATOM 1249 C LEU A 83 4.228 -9.315 4.143 1.00 0.00 C ATOM 1250 O LEU A 83 3.540 -8.897 5.073 1.00 0.00 O ATOM 1251 CB LEU A 83 4.349 -7.189 2.718 1.00 0.00 C ATOM 1252 CG LEU A 83 5.197 -6.153 1.977 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.311 -5.122 1.275 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.207 -5.495 2.919 1.00 0.00 C ATOM 0 H LEU A 83 5.414 -9.045 1.385 1.00 0.00 H new ATOM 0 HA LEU A 83 5.819 -7.912 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.612 -7.591 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.797 -6.680 3.508 1.00 0.00 H new ATOM 0 HG LEU A 83 5.767 -6.668 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.938 -4.397 0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.667 -5.626 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.696 -4.607 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.796 -4.763 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.677 -4.996 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.869 -6.256 3.332 1.00 0.00 H new ATOM 1266 N LYS A 84 4.274 -10.580 3.753 1.00 0.00 N ATOM 1267 CA LYS A 84 3.484 -11.599 4.423 1.00 0.00 C ATOM 1268 C LYS A 84 2.191 -10.973 4.947 1.00 0.00 C ATOM 1269 O LYS A 84 1.812 -11.192 6.097 1.00 0.00 O ATOM 1270 CB LYS A 84 4.314 -12.294 5.505 1.00 0.00 C ATOM 1271 CG LYS A 84 5.016 -11.271 6.399 1.00 0.00 C ATOM 1272 CD LYS A 84 4.054 -10.707 7.447 1.00 0.00 C ATOM 1273 CE LYS A 84 4.817 -10.171 8.660 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.877 -9.800 9.741 1.00 0.00 N ATOM 0 H LYS A 84 4.846 -10.923 2.981 1.00 0.00 H new ATOM 0 HA LYS A 84 3.197 -12.382 3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.669 -12.930 6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.055 -12.944 5.039 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.866 -11.739 6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.411 -10.459 5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.458 -9.908 7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.360 -11.485 7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.515 -10.926 9.021 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.408 -9.302 8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.411 -9.438 10.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.227 -9.064 9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.331 -10.637 10.029 1.00 0.00 H new ATOM 1288 N LEU A 85 1.549 -10.205 4.080 1.00 0.00 N ATOM 1289 CA LEU A 85 0.305 -9.545 4.441 1.00 0.00 C ATOM 1290 C LEU A 85 -0.816 -10.583 4.513 1.00 0.00 C ATOM 1291 O LEU A 85 -0.787 -11.585 3.799 1.00 0.00 O ATOM 1292 CB LEU A 85 0.013 -8.390 3.481 1.00 0.00 C ATOM 1293 CG LEU A 85 -0.048 -6.996 4.107 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.051 -6.818 5.157 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.006 -5.909 3.032 1.00 0.00 C ATOM 0 H LEU A 85 1.867 -10.024 3.128 1.00 0.00 H new ATOM 0 HA LEU A 85 0.386 -9.094 5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.780 -8.385 2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.938 -8.586 2.987 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.004 -6.894 4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.985 -5.818 5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.925 -7.561 5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.026 -6.948 4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.039 -4.928 3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.936 -5.999 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.840 -6.025 2.355 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.803 -10.302 5.405 1.00 0.00 N ATOM 1308 CA PRO A 86 -2.932 -11.200 5.580 1.00 0.00 C ATOM 1309 C PRO A 86 -3.910 -11.086 4.410 1.00 0.00 C ATOM 1310 O PRO A 86 -4.198 -9.986 3.941 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.549 -10.802 6.911 1.00 0.00 C ATOM 1312 CG PRO A 86 -3.033 -9.403 7.208 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.871 -9.126 6.268 1.00 0.00 C ATOM 0 HA PRO A 86 -2.637 -12.249 5.591 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.638 -10.813 6.856 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.263 -11.499 7.698 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.823 -8.666 7.065 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.710 -9.327 8.246 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.039 -8.219 5.688 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.941 -8.985 6.819 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.394 -12.238 3.970 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.334 -12.282 2.863 1.00 0.00 C ATOM 1323 C PHE A 87 -6.747 -11.923 3.328 1.00 0.00 C ATOM 1324 O PHE A 87 -7.009 -11.850 4.528 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.334 -13.716 2.332 1.00 0.00 C ATOM 1326 CG PHE A 87 -3.997 -14.158 1.732 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.238 -13.270 1.036 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.569 -15.438 1.895 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -1.997 -13.680 0.480 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.328 -15.848 1.338 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.569 -14.960 0.643 1.00 0.00 C ATOM 0 H PHE A 87 -4.153 -13.149 4.360 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.039 -11.565 2.097 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.598 -14.393 3.144 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.110 -13.811 1.573 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.579 -12.253 0.906 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.172 -16.143 2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.393 -12.975 -0.072 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.988 -16.865 1.467 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.625 -15.272 0.220 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.620 -11.709 2.355 1.00 0.00 N ATOM 1342 CA GLY A 88 -8.999 -11.359 2.650 1.00 0.00 C ATOM 1343 C GLY A 88 -9.070 -10.170 3.610 1.00 0.00 C ATOM 1344 O GLY A 88 -10.015 -10.053 4.389 1.00 0.00 O ATOM 0 H GLY A 88 -7.399 -11.771 1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.522 -11.116 1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.510 -12.216 3.089 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.058 -9.319 3.523 1.00 0.00 N ATOM 1349 CA LYS A 89 -7.994 -8.143 4.374 1.00 0.00 C ATOM 1350 C LYS A 89 -7.874 -6.893 3.501 1.00 0.00 C ATOM 1351 O LYS A 89 -7.825 -6.989 2.276 1.00 0.00 O ATOM 1352 CB LYS A 89 -6.870 -8.287 5.402 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.311 -9.155 6.581 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.373 -8.337 7.872 1.00 0.00 C ATOM 1355 CE LYS A 89 -6.789 -9.123 9.048 1.00 0.00 C ATOM 1356 NZ LYS A 89 -6.802 -8.301 10.278 1.00 0.00 N ATOM 0 H LYS A 89 -7.276 -9.421 2.876 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.912 -8.040 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.994 -8.730 4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.574 -7.302 5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.290 -9.587 6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.616 -9.985 6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.822 -7.405 7.743 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.407 -8.068 8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.366 -10.034 9.206 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.768 -9.428 8.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.402 -8.849 11.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.232 -7.444 10.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.780 -8.031 10.505 1.00 0.00 H new ATOM 1370 N THR A 90 -7.832 -5.748 4.167 1.00 0.00 N ATOM 1371 CA THR A 90 -7.718 -4.479 3.467 1.00 0.00 C ATOM 1372 C THR A 90 -6.658 -3.598 4.129 1.00 0.00 C ATOM 1373 O THR A 90 -6.793 -3.226 5.294 1.00 0.00 O ATOM 1374 CB THR A 90 -9.106 -3.836 3.427 1.00 0.00 C ATOM 1375 OG1 THR A 90 -9.843 -4.655 2.525 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.094 -2.460 2.757 1.00 0.00 C ATOM 0 H THR A 90 -7.875 -5.672 5.183 1.00 0.00 H new ATOM 0 HA THR A 90 -7.380 -4.622 2.440 1.00 0.00 H new ATOM 0 HB THR A 90 -9.492 -3.742 4.442 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.791 -4.411 2.562 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.103 -2.048 2.755 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.431 -1.793 3.308 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.740 -2.558 1.731 1.00 0.00 H new ATOM 1384 N THR A 91 -5.626 -3.288 3.357 1.00 0.00 N ATOM 1385 CA THR A 91 -4.543 -2.456 3.854 1.00 0.00 C ATOM 1386 C THR A 91 -4.652 -1.041 3.284 1.00 0.00 C ATOM 1387 O THR A 91 -5.073 -0.859 2.142 1.00 0.00 O ATOM 1388 CB THR A 91 -3.222 -3.148 3.515 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.108 -4.179 4.492 1.00 0.00 O ATOM 1390 CG2 THR A 91 -2.008 -2.253 3.774 1.00 0.00 C ATOM 0 H THR A 91 -5.517 -3.598 2.391 1.00 0.00 H new ATOM 0 HA THR A 91 -4.598 -2.341 4.936 1.00 0.00 H new ATOM 0 HB THR A 91 -3.231 -3.453 2.469 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.278 -4.679 4.344 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.097 -2.793 3.517 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.082 -1.354 3.163 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.980 -1.974 4.827 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.266 -0.075 4.104 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.314 1.318 3.696 1.00 0.00 C ATOM 1400 C VAL A 92 -2.936 1.745 3.187 1.00 0.00 C ATOM 1401 O VAL A 92 -1.937 1.594 3.889 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.820 2.185 4.851 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.704 3.672 4.512 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -6.258 1.818 5.223 1.00 0.00 C ATOM 0 H VAL A 92 -3.918 -0.230 5.050 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.019 1.451 2.875 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.189 1.989 5.718 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.070 4.266 5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.660 3.921 4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.299 3.890 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.593 2.449 6.046 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.907 1.971 4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.300 0.772 5.527 1.00 0.00 H new ATOM 1414 N MET A 93 -2.926 2.269 1.971 1.00 0.00 N ATOM 1415 CA MET A 93 -1.686 2.719 1.360 1.00 0.00 C ATOM 1416 C MET A 93 -1.879 4.062 0.653 1.00 0.00 C ATOM 1417 O MET A 93 -2.928 4.312 0.061 1.00 0.00 O ATOM 1418 CB MET A 93 -1.207 1.675 0.350 1.00 0.00 C ATOM 1419 CG MET A 93 -0.736 0.402 1.058 1.00 0.00 C ATOM 1420 SD MET A 93 0.128 -0.653 -0.094 1.00 0.00 S ATOM 1421 CE MET A 93 0.750 -1.893 1.029 1.00 0.00 C ATOM 0 H MET A 93 -3.756 2.392 1.392 1.00 0.00 H new ATOM 0 HA MET A 93 -0.941 2.847 2.145 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.016 1.434 -0.340 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.392 2.087 -0.245 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.080 0.660 1.890 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.591 -0.128 1.478 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.392 -2.587 0.486 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.324 -1.412 1.821 1.00 0.00 H new ATOM 0 HE3 MET A 93 -0.085 -2.439 1.467 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.850 4.892 0.739 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.892 6.204 0.115 1.00 0.00 C ATOM 1433 C HIS A 94 -0.111 6.173 -1.200 1.00 0.00 C ATOM 1434 O HIS A 94 0.823 5.387 -1.352 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.389 7.281 1.079 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.448 7.811 2.015 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -1.951 7.074 3.073 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.093 9.013 2.042 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -2.858 7.808 3.701 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -2.945 9.009 3.060 1.00 0.00 N ATOM 0 H HIS A 94 0.018 4.682 1.231 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.924 6.464 -0.122 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.431 6.871 1.669 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.018 8.110 0.501 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.937 9.829 1.352 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.428 7.508 4.568 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -3.563 9.778 3.320 1.00 0.00 H new