USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 453 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 118 GLN : amide:sc= 0.0103 X(o=0.021,f=0) USER MOD Set 1.2: A 122 LYS NZ :NH3+ -129:sc= 0.0105 (180deg=0) USER MOD Single : A 89 GLN : amide:sc=-0.00108 K(o=-0.0011,f=-1.2) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 94 SER OG : rot -105:sc= 0.474 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 152:sc= -1 (180deg=-1.63) USER MOD Single : A 113 LYS NZ :NH3+ -142:sc= -0.316 (180deg=-1.5!) USER MOD Single : A 114 HIS : no HD1:sc= -1.79 X(o=-1.8,f=-2) USER MOD Single : A 120 SER OG : rot 84:sc= 1.17 USER MOD Single : A 121 SER OG : rot -79:sc= 1.21 USER MOD Single : A 123 MET CE :methyl -134:sc= -0.949 (180deg=-1.7!) USER MOD Single : A 126 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0233) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl -119:sc= 0 (180deg=-0.047) USER MOD Single : A 135 CYS SG : rot 180:sc= -0.332 USER MOD Single : A 136 THR OG1 : rot -48:sc= 0.992 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.6!) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 10.890 0.870 12.239 1.00 0.00 N ATOM 109 CA TRP A 87 10.957 0.460 10.840 1.00 0.00 C ATOM 110 C TRP A 87 11.840 1.409 10.038 1.00 0.00 C ATOM 111 O TRP A 87 12.050 2.558 10.428 1.00 0.00 O ATOM 112 CB TRP A 87 9.554 0.413 10.233 1.00 0.00 C ATOM 113 CG TRP A 87 8.713 -0.706 10.768 1.00 0.00 C ATOM 114 CD1 TRP A 87 8.468 -0.993 12.081 1.00 0.00 C ATOM 115 CD2 TRP A 87 8.008 -1.690 10.002 1.00 0.00 C ATOM 116 NE1 TRP A 87 7.653 -2.095 12.177 1.00 0.00 N ATOM 117 CE2 TRP A 87 7.356 -2.541 10.917 1.00 0.00 C ATOM 118 CE3 TRP A 87 7.863 -1.934 8.634 1.00 0.00 C ATOM 119 CZ2 TRP A 87 6.574 -3.616 10.504 1.00 0.00 C ATOM 120 CZ3 TRP A 87 7.086 -3.001 8.227 1.00 0.00 C ATOM 121 CH2 TRP A 87 6.449 -3.831 9.159 1.00 0.00 C ATOM 0 HA TRP A 87 11.396 -0.537 10.799 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.051 1.360 10.426 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.637 0.310 9.151 1.00 0.00 H new ATOM 0 HD1 TRP A 87 8.858 -0.436 12.920 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.323 -2.513 13.047 1.00 0.00 H new ATOM 0 HE3 TRP A 87 8.350 -1.300 7.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.083 -4.258 11.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 6.967 -3.199 7.172 1.00 0.00 H new ATOM 0 HH2 TRP A 87 5.848 -4.657 8.808 1.00 0.00 H new ATOM 132 N VAL A 88 12.355 0.923 8.913 1.00 0.00 N ATOM 133 CA VAL A 88 13.215 1.729 8.054 1.00 0.00 C ATOM 134 C VAL A 88 12.500 2.108 6.762 1.00 0.00 C ATOM 135 O VAL A 88 11.637 1.374 6.280 1.00 0.00 O ATOM 136 CB VAL A 88 14.518 0.985 7.708 1.00 0.00 C ATOM 137 CG1 VAL A 88 15.217 0.514 8.974 1.00 0.00 C ATOM 138 CG2 VAL A 88 14.232 -0.187 6.780 1.00 0.00 C ATOM 0 H VAL A 88 12.192 -0.025 8.575 1.00 0.00 H new ATOM 0 HA VAL A 88 13.459 2.634 8.610 1.00 0.00 H new ATOM 0 HB VAL A 88 15.183 1.676 7.190 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.136 -0.010 8.709 1.00 0.00 H new ATOM 0 HG12 VAL A 88 15.457 1.374 9.599 1.00 0.00 H new ATOM 0 HG13 VAL A 88 14.560 -0.161 9.523 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.164 -0.701 6.546 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.548 -0.880 7.270 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.779 0.180 5.859 1.00 0.00 H new ATOM 148 N GLN A 89 12.866 3.258 6.206 1.00 0.00 N ATOM 149 CA GLN A 89 12.259 3.735 4.969 1.00 0.00 C ATOM 150 C GLN A 89 11.977 2.576 4.018 1.00 0.00 C ATOM 151 O GLN A 89 10.852 2.406 3.548 1.00 0.00 O ATOM 152 CB GLN A 89 13.172 4.757 4.289 1.00 0.00 C ATOM 153 CG GLN A 89 12.506 5.499 3.141 1.00 0.00 C ATOM 154 CD GLN A 89 13.337 6.663 2.638 1.00 0.00 C ATOM 155 OE1 GLN A 89 14.384 6.982 3.202 1.00 0.00 O ATOM 156 NE2 GLN A 89 12.874 7.305 1.572 1.00 0.00 N ATOM 0 H GLN A 89 13.579 3.876 6.592 1.00 0.00 H new ATOM 0 HA GLN A 89 11.312 4.214 5.220 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.510 5.481 5.031 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.059 4.247 3.915 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.326 4.805 2.320 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.533 5.866 3.467 1.00 0.00 H new ATOM 0 HE21 GLN A 89 12.002 7.007 1.136 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.391 8.097 1.189 1.00 0.00 H new ATOM 165 N ASP A 90 13.006 1.782 3.740 1.00 0.00 N ATOM 166 CA ASP A 90 12.868 0.638 2.847 1.00 0.00 C ATOM 167 C ASP A 90 11.657 -0.207 3.228 1.00 0.00 C ATOM 168 O ASP A 90 10.737 -0.385 2.430 1.00 0.00 O ATOM 169 CB ASP A 90 14.135 -0.218 2.882 1.00 0.00 C ATOM 170 CG ASP A 90 15.399 0.619 2.912 1.00 0.00 C ATOM 171 OD1 ASP A 90 15.714 1.254 1.885 1.00 0.00 O ATOM 172 OD2 ASP A 90 16.073 0.637 3.964 1.00 0.00 O ATOM 0 H ASP A 90 13.944 1.910 4.120 1.00 0.00 H new ATOM 0 HA ASP A 90 12.721 1.014 1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 90 14.109 -0.864 3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 90 14.154 -0.869 2.008 1.00 0.00 H new ATOM 177 N GLU A 91 11.666 -0.726 4.452 1.00 0.00 N ATOM 178 CA GLU A 91 10.568 -1.555 4.937 1.00 0.00 C ATOM 179 C GLU A 91 9.270 -0.754 5.003 1.00 0.00 C ATOM 180 O GLU A 91 8.296 -1.072 4.320 1.00 0.00 O ATOM 181 CB GLU A 91 10.901 -2.122 6.319 1.00 0.00 C ATOM 182 CG GLU A 91 12.001 -3.170 6.298 1.00 0.00 C ATOM 183 CD GLU A 91 12.115 -3.922 7.610 1.00 0.00 C ATOM 184 OE1 GLU A 91 11.094 -4.032 8.321 1.00 0.00 O ATOM 185 OE2 GLU A 91 13.224 -4.400 7.926 1.00 0.00 O ATOM 0 H GLU A 91 12.420 -0.587 5.125 1.00 0.00 H new ATOM 0 HA GLU A 91 10.431 -2.379 4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.202 -1.305 6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.001 -2.561 6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.807 -3.879 5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.953 -2.688 6.076 1.00 0.00 H new ATOM 192 N THR A 92 9.265 0.286 5.830 1.00 0.00 N ATOM 193 CA THR A 92 8.088 1.131 5.987 1.00 0.00 C ATOM 194 C THR A 92 7.409 1.383 4.645 1.00 0.00 C ATOM 195 O THR A 92 6.222 1.102 4.477 1.00 0.00 O ATOM 196 CB THR A 92 8.449 2.484 6.628 1.00 0.00 C ATOM 197 OG1 THR A 92 9.242 2.274 7.801 1.00 0.00 O ATOM 198 CG2 THR A 92 7.194 3.263 6.991 1.00 0.00 C ATOM 0 H THR A 92 10.063 0.564 6.402 1.00 0.00 H new ATOM 0 HA THR A 92 7.402 0.597 6.644 1.00 0.00 H new ATOM 0 HB THR A 92 9.020 3.064 5.903 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.469 3.139 8.202 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.474 4.215 7.442 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.607 3.447 6.091 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.600 2.686 7.700 1.00 0.00 H new ATOM 206 N ARG A 93 8.169 1.914 3.693 1.00 0.00 N ATOM 207 CA ARG A 93 7.640 2.203 2.366 1.00 0.00 C ATOM 208 C ARG A 93 6.990 0.964 1.757 1.00 0.00 C ATOM 209 O ARG A 93 5.878 1.028 1.233 1.00 0.00 O ATOM 210 CB ARG A 93 8.754 2.711 1.449 1.00 0.00 C ATOM 211 CG ARG A 93 8.261 3.626 0.340 1.00 0.00 C ATOM 212 CD ARG A 93 7.880 2.839 -0.904 1.00 0.00 C ATOM 213 NE ARG A 93 7.890 3.672 -2.104 1.00 0.00 N ATOM 214 CZ ARG A 93 6.960 4.580 -2.376 1.00 0.00 C ATOM 215 NH1 ARG A 93 5.950 4.771 -1.538 1.00 0.00 N ATOM 216 NH2 ARG A 93 7.038 5.299 -3.488 1.00 0.00 N ATOM 0 H ARG A 93 9.153 2.153 3.816 1.00 0.00 H new ATOM 0 HA ARG A 93 6.880 2.978 2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.491 3.245 2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.264 1.857 1.004 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.399 4.193 0.691 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.038 4.349 0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.574 2.008 -1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.888 2.408 -0.770 1.00 0.00 H new ATOM 0 HE ARG A 93 8.653 3.549 -2.769 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.886 4.220 -0.682 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.237 5.469 -1.749 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.813 5.155 -4.135 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.323 5.996 -3.696 1.00 0.00 H new ATOM 230 N SER A 94 7.692 -0.162 1.829 1.00 0.00 N ATOM 231 CA SER A 94 7.186 -1.415 1.282 1.00 0.00 C ATOM 232 C SER A 94 5.806 -1.737 1.847 1.00 0.00 C ATOM 233 O SER A 94 4.872 -2.039 1.102 1.00 0.00 O ATOM 234 CB SER A 94 8.155 -2.559 1.590 1.00 0.00 C ATOM 235 OG SER A 94 7.973 -3.638 0.689 1.00 0.00 O ATOM 0 H SER A 94 8.613 -0.232 2.261 1.00 0.00 H new ATOM 0 HA SER A 94 7.100 -1.302 0.201 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.181 -2.197 1.527 1.00 0.00 H new ATOM 0 HB3 SER A 94 8.001 -2.905 2.612 1.00 0.00 H new ATOM 0 HG SER A 94 7.512 -4.372 1.146 1.00 0.00 H new ATOM 241 N LEU A 95 5.684 -1.669 3.168 1.00 0.00 N ATOM 242 CA LEU A 95 4.418 -1.953 3.835 1.00 0.00 C ATOM 243 C LEU A 95 3.347 -0.950 3.418 1.00 0.00 C ATOM 244 O LEU A 95 2.332 -1.320 2.827 1.00 0.00 O ATOM 245 CB LEU A 95 4.600 -1.921 5.353 1.00 0.00 C ATOM 246 CG LEU A 95 3.319 -1.818 6.181 1.00 0.00 C ATOM 247 CD1 LEU A 95 2.381 -2.970 5.858 1.00 0.00 C ATOM 248 CD2 LEU A 95 3.645 -1.793 7.667 1.00 0.00 C ATOM 0 H LEU A 95 6.446 -1.420 3.798 1.00 0.00 H new ATOM 0 HA LEU A 95 4.093 -2.950 3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.132 -2.824 5.654 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.240 -1.075 5.604 1.00 0.00 H new ATOM 0 HG LEU A 95 2.817 -0.885 5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.475 -2.880 6.457 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.121 -2.942 4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.874 -3.915 6.086 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.721 -1.719 8.241 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.170 -2.709 7.940 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.278 -0.933 7.886 1.00 0.00 H new ATOM 260 N ILE A 96 3.581 0.321 3.729 1.00 0.00 N ATOM 261 CA ILE A 96 2.638 1.377 3.384 1.00 0.00 C ATOM 262 C ILE A 96 2.043 1.153 1.999 1.00 0.00 C ATOM 263 O ILE A 96 0.839 0.941 1.856 1.00 0.00 O ATOM 264 CB ILE A 96 3.306 2.764 3.425 1.00 0.00 C ATOM 265 CG1 ILE A 96 3.736 3.106 4.853 1.00 0.00 C ATOM 266 CG2 ILE A 96 2.359 3.825 2.883 1.00 0.00 C ATOM 267 CD1 ILE A 96 4.793 4.185 4.924 1.00 0.00 C ATOM 0 H ILE A 96 4.415 0.644 4.219 1.00 0.00 H new ATOM 0 HA ILE A 96 1.842 1.344 4.128 1.00 0.00 H new ATOM 0 HB ILE A 96 4.194 2.741 2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.862 3.427 5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.115 2.205 5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.846 4.800 2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.098 3.587 1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.454 3.849 3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.049 4.375 5.966 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.683 3.859 4.385 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.410 5.100 4.472 1.00 0.00 H new ATOM 279 N MET A 97 2.895 1.198 0.980 1.00 0.00 N ATOM 280 CA MET A 97 2.454 0.996 -0.395 1.00 0.00 C ATOM 281 C MET A 97 1.500 -0.191 -0.491 1.00 0.00 C ATOM 282 O MET A 97 0.355 -0.046 -0.920 1.00 0.00 O ATOM 283 CB MET A 97 3.658 0.774 -1.312 1.00 0.00 C ATOM 284 CG MET A 97 3.287 0.641 -2.780 1.00 0.00 C ATOM 285 SD MET A 97 2.533 2.139 -3.444 1.00 0.00 S ATOM 286 CE MET A 97 1.441 1.447 -4.684 1.00 0.00 C ATOM 0 H MET A 97 3.895 1.373 1.081 1.00 0.00 H new ATOM 0 HA MET A 97 1.923 1.892 -0.716 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.352 1.606 -1.195 1.00 0.00 H new ATOM 0 HB3 MET A 97 4.184 -0.127 -0.996 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.181 0.402 -3.357 1.00 0.00 H new ATOM 0 HG3 MET A 97 2.597 -0.194 -2.902 1.00 0.00 H new ATOM 0 HE1 MET A 97 0.902 2.252 -5.184 1.00 0.00 H new ATOM 0 HE2 MET A 97 2.027 0.893 -5.417 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.728 0.775 -4.207 1.00 0.00 H new ATOM 296 N PHE A 98 1.980 -1.363 -0.089 1.00 0.00 N ATOM 297 CA PHE A 98 1.170 -2.575 -0.132 1.00 0.00 C ATOM 298 C PHE A 98 -0.214 -2.326 0.461 1.00 0.00 C ATOM 299 O PHE A 98 -1.226 -2.749 -0.097 1.00 0.00 O ATOM 300 CB PHE A 98 1.866 -3.706 0.628 1.00 0.00 C ATOM 301 CG PHE A 98 2.787 -4.526 -0.229 1.00 0.00 C ATOM 302 CD1 PHE A 98 2.322 -5.136 -1.383 1.00 0.00 C ATOM 303 CD2 PHE A 98 4.119 -4.685 0.117 1.00 0.00 C ATOM 304 CE1 PHE A 98 3.167 -5.892 -2.173 1.00 0.00 C ATOM 305 CE2 PHE A 98 4.970 -5.439 -0.669 1.00 0.00 C ATOM 306 CZ PHE A 98 4.493 -6.042 -1.817 1.00 0.00 C ATOM 0 H PHE A 98 2.925 -1.499 0.270 1.00 0.00 H new ATOM 0 HA PHE A 98 1.052 -2.866 -1.176 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.435 -3.281 1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.110 -4.359 1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.287 -5.019 -1.668 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.497 -4.214 1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.791 -6.365 -3.068 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.006 -5.557 -0.386 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.156 -6.630 -2.435 1.00 0.00 H new ATOM 316 N ARG A 99 -0.249 -1.635 1.596 1.00 0.00 N ATOM 317 CA ARG A 99 -1.507 -1.330 2.267 1.00 0.00 C ATOM 318 C ARG A 99 -2.382 -0.431 1.398 1.00 0.00 C ATOM 319 O ARG A 99 -3.555 -0.725 1.167 1.00 0.00 O ATOM 320 CB ARG A 99 -1.242 -0.655 3.614 1.00 0.00 C ATOM 321 CG ARG A 99 -2.499 -0.410 4.431 1.00 0.00 C ATOM 322 CD ARG A 99 -3.045 -1.704 5.015 1.00 0.00 C ATOM 323 NE ARG A 99 -4.032 -1.459 6.063 1.00 0.00 N ATOM 324 CZ ARG A 99 -5.250 -0.983 5.828 1.00 0.00 C ATOM 325 NH1 ARG A 99 -5.629 -0.704 4.588 1.00 0.00 N ATOM 326 NH2 ARG A 99 -6.092 -0.786 6.834 1.00 0.00 N ATOM 0 H ARG A 99 0.580 -1.276 2.070 1.00 0.00 H new ATOM 0 HA ARG A 99 -2.036 -2.268 2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.558 -1.275 4.193 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.740 0.297 3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -2.280 0.290 5.237 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -3.258 0.055 3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.499 -2.297 4.221 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.223 -2.293 5.422 1.00 0.00 H new ATOM 0 HE ARG A 99 -3.772 -1.664 7.028 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -4.985 -0.855 3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.565 -0.339 4.411 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -5.805 -1.000 7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.027 -0.421 6.653 1.00 0.00 H new ATOM 340 N ARG A 100 -1.803 0.666 0.921 1.00 0.00 N ATOM 341 CA ARG A 100 -2.530 1.609 0.080 1.00 0.00 C ATOM 342 C ARG A 100 -3.289 0.879 -1.025 1.00 0.00 C ATOM 343 O ARG A 100 -4.383 1.286 -1.413 1.00 0.00 O ATOM 344 CB ARG A 100 -1.566 2.626 -0.535 1.00 0.00 C ATOM 345 CG ARG A 100 -0.901 3.530 0.490 1.00 0.00 C ATOM 346 CD ARG A 100 0.230 4.336 -0.130 1.00 0.00 C ATOM 347 NE ARG A 100 -0.260 5.527 -0.818 1.00 0.00 N ATOM 348 CZ ARG A 100 -0.553 6.665 -0.199 1.00 0.00 C ATOM 349 NH1 ARG A 100 -0.406 6.766 1.115 1.00 0.00 N ATOM 350 NH2 ARG A 100 -0.994 7.706 -0.894 1.00 0.00 N ATOM 0 H ARG A 100 -0.833 0.924 1.103 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.251 2.135 0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -0.795 2.093 -1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.109 3.242 -1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -1.642 4.207 0.915 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -0.512 2.927 1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.934 4.631 0.648 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.777 3.710 -0.835 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.384 5.483 -1.829 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.067 5.968 1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -0.632 7.641 1.588 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.108 7.633 -1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.219 8.579 -0.417 1.00 0.00 H new ATOM 364 N GLY A 101 -2.699 -0.201 -1.527 1.00 0.00 N ATOM 365 CA GLY A 101 -3.333 -0.969 -2.582 1.00 0.00 C ATOM 366 C GLY A 101 -4.474 -1.826 -2.070 1.00 0.00 C ATOM 367 O GLY A 101 -5.565 -1.821 -2.638 1.00 0.00 O ATOM 0 H GLY A 101 -1.793 -0.558 -1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.708 -0.289 -3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -2.589 -1.607 -3.060 1.00 0.00 H new ATOM 371 N MET A 102 -4.221 -2.565 -0.995 1.00 0.00 N ATOM 372 CA MET A 102 -5.236 -3.431 -0.407 1.00 0.00 C ATOM 373 C MET A 102 -6.342 -2.607 0.245 1.00 0.00 C ATOM 374 O MET A 102 -7.386 -3.140 0.622 1.00 0.00 O ATOM 375 CB MET A 102 -4.604 -4.365 0.626 1.00 0.00 C ATOM 376 CG MET A 102 -3.562 -5.304 0.040 1.00 0.00 C ATOM 377 SD MET A 102 -4.297 -6.733 -0.779 1.00 0.00 S ATOM 378 CE MET A 102 -4.908 -7.653 0.631 1.00 0.00 C ATOM 0 H MET A 102 -3.322 -2.581 -0.513 1.00 0.00 H new ATOM 0 HA MET A 102 -5.675 -4.029 -1.206 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.141 -3.766 1.410 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.389 -4.956 1.098 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.947 -4.757 -0.675 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.899 -5.647 0.835 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.770 -8.249 0.331 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.123 -8.312 1.003 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.203 -6.959 1.418 1.00 0.00 H new ATOM 388 N ASP A 103 -6.107 -1.306 0.374 1.00 0.00 N ATOM 389 CA ASP A 103 -7.084 -0.408 0.979 1.00 0.00 C ATOM 390 C ASP A 103 -8.488 -0.706 0.463 1.00 0.00 C ATOM 391 O ASP A 103 -9.388 -1.032 1.235 1.00 0.00 O ATOM 392 CB ASP A 103 -6.718 1.048 0.689 1.00 0.00 C ATOM 393 CG ASP A 103 -7.864 2.000 0.972 1.00 0.00 C ATOM 394 OD1 ASP A 103 -8.555 1.810 1.994 1.00 0.00 O ATOM 395 OD2 ASP A 103 -8.071 2.934 0.169 1.00 0.00 O ATOM 0 H ASP A 103 -5.248 -0.849 0.068 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.071 -0.569 2.057 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.857 1.331 1.294 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.419 1.144 -0.355 1.00 0.00 H new ATOM 400 N GLY A 104 -8.668 -0.589 -0.849 1.00 0.00 N ATOM 401 CA GLY A 104 -9.965 -0.848 -1.446 1.00 0.00 C ATOM 402 C GLY A 104 -10.705 -1.977 -0.757 1.00 0.00 C ATOM 403 O GLY A 104 -11.928 -1.930 -0.611 1.00 0.00 O ATOM 0 H GLY A 104 -7.939 -0.319 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.569 0.058 -1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.834 -1.093 -2.500 1.00 0.00 H new ATOM 407 N LEU A 105 -9.966 -2.996 -0.334 1.00 0.00 N ATOM 408 CA LEU A 105 -10.560 -4.144 0.342 1.00 0.00 C ATOM 409 C LEU A 105 -10.996 -3.777 1.757 1.00 0.00 C ATOM 410 O LEU A 105 -12.172 -3.893 2.105 1.00 0.00 O ATOM 411 CB LEU A 105 -9.564 -5.305 0.388 1.00 0.00 C ATOM 412 CG LEU A 105 -9.013 -5.770 -0.960 1.00 0.00 C ATOM 413 CD1 LEU A 105 -7.730 -6.565 -0.766 1.00 0.00 C ATOM 414 CD2 LEU A 105 -10.049 -6.600 -1.703 1.00 0.00 C ATOM 0 H LEU A 105 -8.954 -3.051 -0.447 1.00 0.00 H new ATOM 0 HA LEU A 105 -11.441 -4.451 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.725 -5.013 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -10.048 -6.153 0.872 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.784 -4.889 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.352 -6.888 -1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.984 -5.939 -0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.933 -7.439 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.639 -6.922 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -10.310 -7.475 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.942 -5.999 -1.875 1.00 0.00 H new ATOM 426 N PHE A 106 -10.043 -3.331 2.568 1.00 0.00 N ATOM 427 CA PHE A 106 -10.329 -2.945 3.944 1.00 0.00 C ATOM 428 C PHE A 106 -11.649 -2.185 4.033 1.00 0.00 C ATOM 429 O PHE A 106 -12.469 -2.444 4.912 1.00 0.00 O ATOM 430 CB PHE A 106 -9.193 -2.084 4.501 1.00 0.00 C ATOM 431 CG PHE A 106 -7.942 -2.860 4.796 1.00 0.00 C ATOM 432 CD1 PHE A 106 -7.027 -3.133 3.792 1.00 0.00 C ATOM 433 CD2 PHE A 106 -7.680 -3.317 6.078 1.00 0.00 C ATOM 434 CE1 PHE A 106 -5.874 -3.847 4.061 1.00 0.00 C ATOM 435 CE2 PHE A 106 -6.529 -4.031 6.352 1.00 0.00 C ATOM 436 CZ PHE A 106 -5.626 -4.297 5.342 1.00 0.00 C ATOM 0 H PHE A 106 -9.065 -3.228 2.296 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.413 -3.854 4.540 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -8.961 -1.295 3.785 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.532 -1.596 5.415 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.217 -2.784 2.788 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.383 -3.113 6.872 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.168 -4.052 3.270 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.336 -4.381 7.355 1.00 0.00 H new ATOM 0 HZ PHE A 106 -4.727 -4.856 5.554 1.00 0.00 H new ATOM 532 N LYS A 113 -8.511 -9.556 8.665 1.00 0.00 N ATOM 533 CA LYS A 113 -7.644 -10.675 9.015 1.00 0.00 C ATOM 534 C LYS A 113 -6.952 -11.235 7.776 1.00 0.00 C ATOM 535 O LYS A 113 -5.738 -11.105 7.619 1.00 0.00 O ATOM 536 CB LYS A 113 -8.452 -11.777 9.703 1.00 0.00 C ATOM 537 CG LYS A 113 -7.602 -12.936 10.196 1.00 0.00 C ATOM 538 CD LYS A 113 -6.953 -12.622 11.534 1.00 0.00 C ATOM 539 CE LYS A 113 -7.875 -12.962 12.695 1.00 0.00 C ATOM 540 NZ LYS A 113 -8.782 -11.830 13.032 1.00 0.00 N ATOM 0 HA LYS A 113 -6.881 -10.310 9.702 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.991 -11.348 10.547 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.200 -12.156 9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -8.221 -13.828 10.291 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -6.830 -13.161 9.460 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -6.024 -13.184 11.629 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -6.692 -11.565 11.573 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -8.469 -13.840 12.442 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -7.278 -13.222 13.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.899 -11.774 14.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -8.372 -10.941 12.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -9.709 -11.983 12.586 1.00 0.00 H new ATOM 554 N HIS A 114 -7.733 -11.856 6.898 1.00 0.00 N ATOM 555 CA HIS A 114 -7.195 -12.433 5.671 1.00 0.00 C ATOM 556 C HIS A 114 -6.352 -11.412 4.914 1.00 0.00 C ATOM 557 O HIS A 114 -5.300 -11.744 4.366 1.00 0.00 O ATOM 558 CB HIS A 114 -8.330 -12.937 4.779 1.00 0.00 C ATOM 559 CG HIS A 114 -9.181 -11.840 4.217 1.00 0.00 C ATOM 560 ND1 HIS A 114 -10.052 -11.095 4.983 1.00 0.00 N ATOM 561 CD2 HIS A 114 -9.289 -11.362 2.955 1.00 0.00 C ATOM 562 CE1 HIS A 114 -10.661 -10.207 4.217 1.00 0.00 C ATOM 563 NE2 HIS A 114 -10.215 -10.348 2.981 1.00 0.00 N ATOM 0 H HIS A 114 -8.740 -11.973 7.013 1.00 0.00 H new ATOM 0 HA HIS A 114 -6.557 -13.273 5.944 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.906 -13.515 3.957 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -8.960 -13.616 5.354 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.748 -11.713 2.089 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -11.398 -9.489 4.545 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.510 -9.794 2.177 1.00 0.00 H new ATOM 571 N LEU A 115 -6.819 -10.169 4.888 1.00 0.00 N ATOM 572 CA LEU A 115 -6.108 -9.099 4.197 1.00 0.00 C ATOM 573 C LEU A 115 -4.680 -8.970 4.716 1.00 0.00 C ATOM 574 O LEU A 115 -3.723 -9.006 3.943 1.00 0.00 O ATOM 575 CB LEU A 115 -6.849 -7.772 4.374 1.00 0.00 C ATOM 576 CG LEU A 115 -8.228 -7.680 3.720 1.00 0.00 C ATOM 577 CD1 LEU A 115 -8.923 -6.388 4.120 1.00 0.00 C ATOM 578 CD2 LEU A 115 -8.108 -7.778 2.206 1.00 0.00 C ATOM 0 H LEU A 115 -7.687 -9.877 5.337 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.068 -9.348 3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.962 -7.582 5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.225 -6.974 3.972 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.832 -8.517 4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.903 -6.340 3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.043 -6.360 5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.322 -5.537 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.099 -7.711 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.486 -6.962 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.652 -8.731 1.938 1.00 0.00 H new ATOM 590 N TRP A 116 -4.545 -8.823 6.029 1.00 0.00 N ATOM 591 CA TRP A 116 -3.232 -8.692 6.652 1.00 0.00 C ATOM 592 C TRP A 116 -2.310 -9.827 6.223 1.00 0.00 C ATOM 593 O TRP A 116 -1.162 -9.596 5.845 1.00 0.00 O ATOM 594 CB TRP A 116 -3.367 -8.676 8.176 1.00 0.00 C ATOM 595 CG TRP A 116 -3.840 -7.360 8.716 1.00 0.00 C ATOM 596 CD1 TRP A 116 -4.956 -7.138 9.472 1.00 0.00 C ATOM 597 CD2 TRP A 116 -3.212 -6.086 8.540 1.00 0.00 C ATOM 598 NE1 TRP A 116 -5.059 -5.803 9.777 1.00 0.00 N ATOM 599 CE2 TRP A 116 -4.001 -5.136 9.218 1.00 0.00 C ATOM 600 CE3 TRP A 116 -2.059 -5.655 7.879 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -3.673 -3.783 9.250 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -1.735 -4.312 7.911 1.00 0.00 C ATOM 603 CH2 TRP A 116 -2.539 -3.389 8.593 1.00 0.00 C ATOM 0 H TRP A 116 -5.327 -8.791 6.683 1.00 0.00 H new ATOM 0 HA TRP A 116 -2.794 -7.750 6.323 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -4.064 -9.457 8.480 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -2.402 -8.918 8.622 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -5.655 -7.900 9.784 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.803 -5.377 10.330 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.432 -6.359 7.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.292 -3.070 9.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -0.847 -3.968 7.402 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -2.258 -2.346 8.600 1.00 0.00 H new ATOM 614 N GLU A 117 -2.820 -11.053 6.284 1.00 0.00 N ATOM 615 CA GLU A 117 -2.040 -12.225 5.902 1.00 0.00 C ATOM 616 C GLU A 117 -1.405 -12.030 4.528 1.00 0.00 C ATOM 617 O GLU A 117 -0.218 -12.293 4.339 1.00 0.00 O ATOM 618 CB GLU A 117 -2.923 -13.474 5.895 1.00 0.00 C ATOM 619 CG GLU A 117 -3.774 -13.624 7.146 1.00 0.00 C ATOM 620 CD GLU A 117 -4.082 -15.073 7.471 1.00 0.00 C ATOM 621 OE1 GLU A 117 -4.391 -15.838 6.533 1.00 0.00 O ATOM 622 OE2 GLU A 117 -4.014 -15.441 8.662 1.00 0.00 O ATOM 0 H GLU A 117 -3.769 -11.261 6.594 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.245 -12.356 6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -3.576 -13.442 5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -2.291 -14.355 5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -3.256 -13.168 7.990 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -4.708 -13.079 7.013 1.00 0.00 H new ATOM 629 N GLN A 118 -2.205 -11.569 3.572 1.00 0.00 N ATOM 630 CA GLN A 118 -1.722 -11.341 2.216 1.00 0.00 C ATOM 631 C GLN A 118 -0.565 -10.347 2.210 1.00 0.00 C ATOM 632 O GLN A 118 0.532 -10.660 1.747 1.00 0.00 O ATOM 633 CB GLN A 118 -2.856 -10.826 1.328 1.00 0.00 C ATOM 634 CG GLN A 118 -3.650 -11.933 0.653 1.00 0.00 C ATOM 635 CD GLN A 118 -4.317 -11.475 -0.629 1.00 0.00 C ATOM 636 OE1 GLN A 118 -3.649 -11.209 -1.629 1.00 0.00 O ATOM 637 NE2 GLN A 118 -5.641 -11.382 -0.608 1.00 0.00 N ATOM 0 H GLN A 118 -3.190 -11.346 3.712 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.363 -12.291 1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.533 -10.221 1.931 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.439 -10.171 0.563 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.986 -12.769 0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -4.410 -12.302 1.342 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -6.155 -11.612 0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.144 -11.080 -1.442 1.00 0.00 H new ATOM 646 N ILE A 119 -0.818 -9.149 2.726 1.00 0.00 N ATOM 647 CA ILE A 119 0.203 -8.110 2.781 1.00 0.00 C ATOM 648 C ILE A 119 1.472 -8.621 3.453 1.00 0.00 C ATOM 649 O ILE A 119 2.535 -8.679 2.834 1.00 0.00 O ATOM 650 CB ILE A 119 -0.300 -6.866 3.537 1.00 0.00 C ATOM 651 CG1 ILE A 119 -1.365 -6.138 2.715 1.00 0.00 C ATOM 652 CG2 ILE A 119 0.860 -5.935 3.855 1.00 0.00 C ATOM 653 CD1 ILE A 119 -2.137 -5.104 3.505 1.00 0.00 C ATOM 0 H ILE A 119 -1.721 -8.874 3.112 1.00 0.00 H new ATOM 0 HA ILE A 119 0.427 -7.833 1.751 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.751 -7.187 4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.886 -5.651 1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.064 -6.870 2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.489 -5.060 4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.587 -6.458 4.476 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.337 -5.618 2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -2.874 -4.628 2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -2.645 -5.588 4.339 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -1.449 -4.350 3.887 1.00 0.00 H new ATOM 665 N SER A 120 1.354 -8.993 4.724 1.00 0.00 N ATOM 666 CA SER A 120 2.492 -9.498 5.482 1.00 0.00 C ATOM 667 C SER A 120 3.271 -10.530 4.670 1.00 0.00 C ATOM 668 O SER A 120 4.481 -10.404 4.483 1.00 0.00 O ATOM 669 CB SER A 120 2.021 -10.119 6.798 1.00 0.00 C ATOM 670 OG SER A 120 0.874 -9.451 7.295 1.00 0.00 O ATOM 0 H SER A 120 0.481 -8.954 5.250 1.00 0.00 H new ATOM 0 HA SER A 120 3.152 -8.659 5.700 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.794 -11.174 6.645 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.823 -10.069 7.535 1.00 0.00 H new ATOM 0 HG SER A 120 0.071 -9.819 6.870 1.00 0.00 H new ATOM 676 N SER A 121 2.566 -11.550 4.191 1.00 0.00 N ATOM 677 CA SER A 121 3.190 -12.607 3.403 1.00 0.00 C ATOM 678 C SER A 121 4.037 -12.017 2.279 1.00 0.00 C ATOM 679 O SER A 121 5.233 -12.289 2.178 1.00 0.00 O ATOM 680 CB SER A 121 2.123 -13.535 2.820 1.00 0.00 C ATOM 681 OG SER A 121 2.711 -14.559 2.037 1.00 0.00 O ATOM 0 H SER A 121 1.563 -11.667 4.335 1.00 0.00 H new ATOM 0 HA SER A 121 3.841 -13.182 4.062 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.542 -13.979 3.628 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.429 -12.958 2.208 1.00 0.00 H new ATOM 0 HG SER A 121 2.947 -14.202 1.155 1.00 0.00 H new ATOM 687 N LYS A 122 3.406 -11.208 1.434 1.00 0.00 N ATOM 688 CA LYS A 122 4.099 -10.578 0.316 1.00 0.00 C ATOM 689 C LYS A 122 5.412 -9.950 0.774 1.00 0.00 C ATOM 690 O LYS A 122 6.483 -10.300 0.280 1.00 0.00 O ATOM 691 CB LYS A 122 3.209 -9.513 -0.327 1.00 0.00 C ATOM 692 CG LYS A 122 2.312 -10.054 -1.428 1.00 0.00 C ATOM 693 CD LYS A 122 1.042 -9.232 -1.566 1.00 0.00 C ATOM 694 CE LYS A 122 -0.001 -9.954 -2.406 1.00 0.00 C ATOM 695 NZ LYS A 122 -1.210 -9.115 -2.632 1.00 0.00 N ATOM 0 H LYS A 122 2.416 -10.973 1.502 1.00 0.00 H new ATOM 0 HA LYS A 122 4.323 -11.349 -0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.589 -9.056 0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.839 -8.724 -0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 122 2.853 -10.051 -2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 122 2.054 -11.091 -1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 122 0.633 -9.023 -0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 122 1.277 -8.271 -2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.434 -10.230 -3.367 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.290 -10.880 -1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -2.061 -9.657 -2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.156 -8.262 -2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.259 -8.839 -3.634 1.00 0.00 H new ATOM 709 N MET A 123 5.320 -9.022 1.721 1.00 0.00 N ATOM 710 CA MET A 123 6.501 -8.348 2.247 1.00 0.00 C ATOM 711 C MET A 123 7.654 -9.330 2.424 1.00 0.00 C ATOM 712 O MET A 123 8.738 -9.135 1.874 1.00 0.00 O ATOM 713 CB MET A 123 6.178 -7.676 3.583 1.00 0.00 C ATOM 714 CG MET A 123 5.421 -6.366 3.437 1.00 0.00 C ATOM 715 SD MET A 123 6.517 -4.941 3.303 1.00 0.00 S ATOM 716 CE MET A 123 7.409 -5.053 4.852 1.00 0.00 C ATOM 0 H MET A 123 4.440 -8.720 2.140 1.00 0.00 H new ATOM 0 HA MET A 123 6.804 -7.586 1.529 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.588 -8.361 4.192 1.00 0.00 H new ATOM 0 HB3 MET A 123 7.108 -7.491 4.121 1.00 0.00 H new ATOM 0 HG2 MET A 123 4.785 -6.415 2.553 1.00 0.00 H new ATOM 0 HG3 MET A 123 4.763 -6.234 4.296 1.00 0.00 H new ATOM 0 HE1 MET A 123 7.453 -4.069 5.319 1.00 0.00 H new ATOM 0 HE2 MET A 123 6.897 -5.748 5.517 1.00 0.00 H new ATOM 0 HE3 MET A 123 8.421 -5.410 4.664 1.00 0.00 H new ATOM 726 N ARG A 124 7.413 -10.386 3.194 1.00 0.00 N ATOM 727 CA ARG A 124 8.433 -11.398 3.445 1.00 0.00 C ATOM 728 C ARG A 124 8.999 -11.935 2.133 1.00 0.00 C ATOM 729 O ARG A 124 10.181 -12.267 2.047 1.00 0.00 O ATOM 730 CB ARG A 124 7.850 -12.547 4.269 1.00 0.00 C ATOM 731 CG ARG A 124 8.876 -13.252 5.141 1.00 0.00 C ATOM 732 CD ARG A 124 9.587 -14.359 4.379 1.00 0.00 C ATOM 733 NE ARG A 124 8.738 -15.534 4.199 1.00 0.00 N ATOM 734 CZ ARG A 124 9.198 -16.725 3.834 1.00 0.00 C ATOM 735 NH1 ARG A 124 10.494 -16.898 3.611 1.00 0.00 N ATOM 736 NH2 ARG A 124 8.363 -17.745 3.692 1.00 0.00 N ATOM 0 H ARG A 124 6.521 -10.563 3.655 1.00 0.00 H new ATOM 0 HA ARG A 124 9.242 -10.931 4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 124 7.052 -12.160 4.902 1.00 0.00 H new ATOM 0 HB3 ARG A 124 7.398 -13.274 3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 124 9.608 -12.529 5.501 1.00 0.00 H new ATOM 0 HG3 ARG A 124 8.383 -13.671 6.018 1.00 0.00 H new ATOM 0 HD2 ARG A 124 9.899 -13.985 3.404 1.00 0.00 H new ATOM 0 HD3 ARG A 124 10.492 -14.645 4.915 1.00 0.00 H new ATOM 0 HE ARG A 124 7.736 -15.434 4.363 1.00 0.00 H new ATOM 0 HH11 ARG A 124 11.139 -16.115 3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 124 10.846 -17.814 3.331 1.00 0.00 H new ATOM 0 HH21 ARG A 124 7.366 -17.615 3.863 1.00 0.00 H new ATOM 0 HH22 ARG A 124 8.718 -18.659 3.412 1.00 0.00 H new ATOM 750 N GLU A 125 8.147 -12.017 1.116 1.00 0.00 N ATOM 751 CA GLU A 125 8.563 -12.515 -0.189 1.00 0.00 C ATOM 752 C GLU A 125 9.466 -11.507 -0.894 1.00 0.00 C ATOM 753 O GLU A 125 10.477 -11.875 -1.494 1.00 0.00 O ATOM 754 CB GLU A 125 7.340 -12.816 -1.059 1.00 0.00 C ATOM 755 CG GLU A 125 6.377 -13.810 -0.432 1.00 0.00 C ATOM 756 CD GLU A 125 4.966 -13.674 -0.971 1.00 0.00 C ATOM 757 OE1 GLU A 125 4.807 -13.155 -2.095 1.00 0.00 O ATOM 758 OE2 GLU A 125 4.021 -14.088 -0.267 1.00 0.00 O ATOM 0 H GLU A 125 7.165 -11.745 1.171 1.00 0.00 H new ATOM 0 HA GLU A 125 9.126 -13.436 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.809 -11.885 -1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.675 -13.205 -2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 125 6.736 -14.823 -0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.365 -13.666 0.648 1.00 0.00 H new ATOM 765 N LYS A 126 9.095 -10.234 -0.817 1.00 0.00 N ATOM 766 CA LYS A 126 9.870 -9.171 -1.445 1.00 0.00 C ATOM 767 C LYS A 126 11.305 -9.166 -0.929 1.00 0.00 C ATOM 768 O LYS A 126 12.256 -9.196 -1.710 1.00 0.00 O ATOM 769 CB LYS A 126 9.217 -7.812 -1.182 1.00 0.00 C ATOM 770 CG LYS A 126 7.699 -7.863 -1.147 1.00 0.00 C ATOM 771 CD LYS A 126 7.140 -8.654 -2.318 1.00 0.00 C ATOM 772 CE LYS A 126 7.697 -8.157 -3.643 1.00 0.00 C ATOM 773 NZ LYS A 126 7.131 -6.832 -4.020 1.00 0.00 N ATOM 0 H LYS A 126 8.261 -9.913 -0.325 1.00 0.00 H new ATOM 0 HA LYS A 126 9.890 -9.356 -2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 126 9.581 -7.421 -0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.531 -7.112 -1.956 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.371 -8.316 -0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.299 -6.849 -1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 126 7.381 -9.710 -2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 126 6.053 -8.574 -2.326 1.00 0.00 H new ATOM 0 HE2 LYS A 126 8.782 -8.083 -3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 126 7.475 -8.883 -4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 7.585 -6.496 -4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 6.107 -6.923 -4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.306 -6.150 -3.255 1.00 0.00 H new ATOM 787 N GLY A 127 11.454 -9.128 0.391 1.00 0.00 N ATOM 788 CA GLY A 127 12.777 -9.121 0.989 1.00 0.00 C ATOM 789 C GLY A 127 12.795 -8.453 2.349 1.00 0.00 C ATOM 790 O GLY A 127 13.780 -7.815 2.722 1.00 0.00 O ATOM 0 H GLY A 127 10.682 -9.102 1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 127 13.134 -10.146 1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 127 13.470 -8.604 0.325 1.00 0.00 H new ATOM 794 N PHE A 128 11.703 -8.598 3.093 1.00 0.00 N ATOM 795 CA PHE A 128 11.597 -8.001 4.419 1.00 0.00 C ATOM 796 C PHE A 128 10.826 -8.916 5.366 1.00 0.00 C ATOM 797 O PHE A 128 9.606 -9.046 5.266 1.00 0.00 O ATOM 798 CB PHE A 128 10.907 -6.638 4.334 1.00 0.00 C ATOM 799 CG PHE A 128 11.578 -5.685 3.388 1.00 0.00 C ATOM 800 CD1 PHE A 128 12.917 -5.362 3.542 1.00 0.00 C ATOM 801 CD2 PHE A 128 10.870 -5.109 2.345 1.00 0.00 C ATOM 802 CE1 PHE A 128 13.538 -4.485 2.672 1.00 0.00 C ATOM 803 CE2 PHE A 128 11.485 -4.232 1.472 1.00 0.00 C ATOM 804 CZ PHE A 128 12.821 -3.919 1.637 1.00 0.00 C ATOM 0 H PHE A 128 10.879 -9.124 2.800 1.00 0.00 H new ATOM 0 HA PHE A 128 12.605 -7.866 4.812 1.00 0.00 H new ATOM 0 HB2 PHE A 128 9.873 -6.782 4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 128 10.879 -6.191 5.328 1.00 0.00 H new ATOM 0 HD1 PHE A 128 13.482 -5.801 4.351 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.825 -5.348 2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 128 14.583 -4.243 2.802 1.00 0.00 H new ATOM 0 HE2 PHE A 128 10.922 -3.792 0.662 1.00 0.00 H new ATOM 0 HZ PHE A 128 13.303 -3.232 0.957 1.00 0.00 H new ATOM 814 N ASP A 129 11.547 -9.548 6.285 1.00 0.00 N ATOM 815 CA ASP A 129 10.933 -10.451 7.252 1.00 0.00 C ATOM 816 C ASP A 129 10.344 -9.672 8.424 1.00 0.00 C ATOM 817 O ASP A 129 11.074 -9.185 9.288 1.00 0.00 O ATOM 818 CB ASP A 129 11.960 -11.464 7.761 1.00 0.00 C ATOM 819 CG ASP A 129 11.631 -11.974 9.150 1.00 0.00 C ATOM 820 OD1 ASP A 129 10.438 -12.222 9.424 1.00 0.00 O ATOM 821 OD2 ASP A 129 12.566 -12.124 9.964 1.00 0.00 O ATOM 0 H ASP A 129 12.558 -9.452 6.381 1.00 0.00 H new ATOM 0 HA ASP A 129 10.126 -10.985 6.751 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.009 -12.306 7.070 1.00 0.00 H new ATOM 0 HB3 ASP A 129 12.947 -11.002 7.771 1.00 0.00 H new ATOM 826 N ARG A 130 9.020 -9.559 8.447 1.00 0.00 N ATOM 827 CA ARG A 130 8.334 -8.837 9.512 1.00 0.00 C ATOM 828 C ARG A 130 7.030 -9.534 9.888 1.00 0.00 C ATOM 829 O ARG A 130 6.304 -10.024 9.023 1.00 0.00 O ATOM 830 CB ARG A 130 8.049 -7.397 9.080 1.00 0.00 C ATOM 831 CG ARG A 130 9.264 -6.488 9.153 1.00 0.00 C ATOM 832 CD ARG A 130 9.635 -6.167 10.592 1.00 0.00 C ATOM 833 NE ARG A 130 11.005 -5.674 10.708 1.00 0.00 N ATOM 834 CZ ARG A 130 11.695 -5.680 11.843 1.00 0.00 C ATOM 835 NH1 ARG A 130 11.146 -6.152 12.954 1.00 0.00 N ATOM 836 NH2 ARG A 130 12.937 -5.214 11.868 1.00 0.00 N ATOM 0 H ARG A 130 8.401 -9.958 7.741 1.00 0.00 H new ATOM 0 HA ARG A 130 8.985 -8.825 10.386 1.00 0.00 H new ATOM 0 HB2 ARG A 130 7.670 -7.401 8.058 1.00 0.00 H new ATOM 0 HB3 ARG A 130 7.260 -6.987 9.711 1.00 0.00 H new ATOM 0 HG2 ARG A 130 10.108 -6.967 8.657 1.00 0.00 H new ATOM 0 HG3 ARG A 130 9.060 -5.563 8.614 1.00 0.00 H new ATOM 0 HD2 ARG A 130 8.946 -5.419 10.986 1.00 0.00 H new ATOM 0 HD3 ARG A 130 9.519 -7.061 11.204 1.00 0.00 H new ATOM 0 HE ARG A 130 11.457 -5.305 9.871 1.00 0.00 H new ATOM 0 HH11 ARG A 130 10.192 -6.512 12.938 1.00 0.00 H new ATOM 0 HH12 ARG A 130 11.678 -6.155 13.824 1.00 0.00 H new ATOM 0 HH21 ARG A 130 13.363 -4.851 11.015 1.00 0.00 H new ATOM 0 HH22 ARG A 130 13.466 -5.219 12.740 1.00 0.00 H new ATOM 850 N SER A 131 6.739 -9.576 11.185 1.00 0.00 N ATOM 851 CA SER A 131 5.525 -10.217 11.676 1.00 0.00 C ATOM 852 C SER A 131 4.283 -9.501 11.154 1.00 0.00 C ATOM 853 O SER A 131 4.326 -8.335 10.763 1.00 0.00 O ATOM 854 CB SER A 131 5.514 -10.232 13.206 1.00 0.00 C ATOM 855 OG SER A 131 6.286 -11.307 13.711 1.00 0.00 O ATOM 0 H SER A 131 7.328 -9.174 11.914 1.00 0.00 H new ATOM 0 HA SER A 131 5.512 -11.243 11.310 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.907 -9.289 13.585 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.488 -10.317 13.565 1.00 0.00 H new ATOM 0 HG SER A 131 6.264 -11.293 14.691 1.00 0.00 H new ATOM 861 N PRO A 132 3.148 -10.217 11.146 1.00 0.00 N ATOM 862 CA PRO A 132 1.872 -9.671 10.674 1.00 0.00 C ATOM 863 C PRO A 132 1.312 -8.610 11.616 1.00 0.00 C ATOM 864 O PRO A 132 0.953 -7.512 11.188 1.00 0.00 O ATOM 865 CB PRO A 132 0.954 -10.895 10.641 1.00 0.00 C ATOM 866 CG PRO A 132 1.537 -11.833 11.640 1.00 0.00 C ATOM 867 CD PRO A 132 3.024 -11.613 11.597 1.00 0.00 C ATOM 0 HA PRO A 132 1.973 -9.171 9.711 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -0.071 -10.628 10.899 1.00 0.00 H new ATOM 0 HB3 PRO A 132 0.926 -11.342 9.647 1.00 0.00 H new ATOM 0 HG2 PRO A 132 1.142 -11.636 12.637 1.00 0.00 H new ATOM 0 HG3 PRO A 132 1.288 -12.866 11.397 1.00 0.00 H new ATOM 0 HD2 PRO A 132 3.481 -11.762 12.575 1.00 0.00 H new ATOM 0 HD3 PRO A 132 3.513 -12.303 10.909 1.00 0.00 H new ATOM 875 N THR A 133 1.241 -8.943 12.901 1.00 0.00 N ATOM 876 CA THR A 133 0.725 -8.020 13.902 1.00 0.00 C ATOM 877 C THR A 133 1.403 -6.658 13.797 1.00 0.00 C ATOM 878 O THR A 133 0.748 -5.620 13.885 1.00 0.00 O ATOM 879 CB THR A 133 0.922 -8.569 15.328 1.00 0.00 C ATOM 880 OG1 THR A 133 2.254 -9.073 15.479 1.00 0.00 O ATOM 881 CG2 THR A 133 -0.080 -9.675 15.625 1.00 0.00 C ATOM 0 H THR A 133 1.535 -9.846 13.272 1.00 0.00 H new ATOM 0 HA THR A 133 -0.342 -7.908 13.707 1.00 0.00 H new ATOM 0 HB THR A 133 0.760 -7.754 16.033 1.00 0.00 H new ATOM 0 HG1 THR A 133 2.372 -9.419 16.388 1.00 0.00 H new ATOM 0 HG21 THR A 133 0.078 -10.047 16.637 1.00 0.00 H new ATOM 0 HG22 THR A 133 -1.093 -9.282 15.537 1.00 0.00 H new ATOM 0 HG23 THR A 133 0.056 -10.490 14.914 1.00 0.00 H new ATOM 889 N MET A 134 2.718 -6.671 13.607 1.00 0.00 N ATOM 890 CA MET A 134 3.484 -5.436 13.487 1.00 0.00 C ATOM 891 C MET A 134 2.849 -4.499 12.464 1.00 0.00 C ATOM 892 O MET A 134 2.709 -3.300 12.708 1.00 0.00 O ATOM 893 CB MET A 134 4.928 -5.743 13.087 1.00 0.00 C ATOM 894 CG MET A 134 5.641 -6.675 14.053 1.00 0.00 C ATOM 895 SD MET A 134 6.053 -5.874 15.615 1.00 0.00 S ATOM 896 CE MET A 134 7.498 -4.929 15.140 1.00 0.00 C ATOM 0 H MET A 134 3.275 -7.522 13.533 1.00 0.00 H new ATOM 0 HA MET A 134 3.481 -4.941 14.458 1.00 0.00 H new ATOM 0 HB2 MET A 134 4.934 -6.190 12.093 1.00 0.00 H new ATOM 0 HB3 MET A 134 5.484 -4.808 13.020 1.00 0.00 H new ATOM 0 HG2 MET A 134 5.009 -7.541 14.249 1.00 0.00 H new ATOM 0 HG3 MET A 134 6.554 -7.045 13.587 1.00 0.00 H new ATOM 0 HE1 MET A 134 8.356 -5.257 15.726 1.00 0.00 H new ATOM 0 HE2 MET A 134 7.702 -5.083 14.080 1.00 0.00 H new ATOM 0 HE3 MET A 134 7.317 -3.870 15.324 1.00 0.00 H new ATOM 906 N CYS A 135 2.468 -5.053 11.318 1.00 0.00 N ATOM 907 CA CYS A 135 1.848 -4.267 10.257 1.00 0.00 C ATOM 908 C CYS A 135 0.474 -3.762 10.685 1.00 0.00 C ATOM 909 O CYS A 135 0.073 -2.651 10.340 1.00 0.00 O ATOM 910 CB CYS A 135 1.724 -5.101 8.982 1.00 0.00 C ATOM 911 SG CYS A 135 3.309 -5.603 8.270 1.00 0.00 S ATOM 0 H CYS A 135 2.578 -6.043 11.100 1.00 0.00 H new ATOM 0 HA CYS A 135 2.485 -3.405 10.058 1.00 0.00 H new ATOM 0 HB2 CYS A 135 1.137 -5.993 9.200 1.00 0.00 H new ATOM 0 HB3 CYS A 135 1.169 -4.528 8.239 1.00 0.00 H new ATOM 0 HG CYS A 135 3.099 -6.305 7.196 1.00 0.00 H new ATOM 917 N THR A 136 -0.245 -4.588 11.439 1.00 0.00 N ATOM 918 CA THR A 136 -1.576 -4.228 11.912 1.00 0.00 C ATOM 919 C THR A 136 -1.519 -3.028 12.851 1.00 0.00 C ATOM 920 O THR A 136 -2.212 -2.032 12.643 1.00 0.00 O ATOM 921 CB THR A 136 -2.250 -5.405 12.642 1.00 0.00 C ATOM 922 OG1 THR A 136 -2.432 -6.501 11.740 1.00 0.00 O ATOM 923 CG2 THR A 136 -3.595 -4.986 13.217 1.00 0.00 C ATOM 0 H THR A 136 0.072 -5.511 11.735 1.00 0.00 H new ATOM 0 HA THR A 136 -2.166 -3.970 11.032 1.00 0.00 H new ATOM 0 HB THR A 136 -1.602 -5.714 13.462 1.00 0.00 H new ATOM 0 HG1 THR A 136 -2.830 -6.175 10.906 1.00 0.00 H new ATOM 0 HG21 THR A 136 -4.052 -5.833 13.728 1.00 0.00 H new ATOM 0 HG22 THR A 136 -3.450 -4.171 13.926 1.00 0.00 H new ATOM 0 HG23 THR A 136 -4.248 -4.653 12.410 1.00 0.00 H new ATOM 931 N ASP A 137 -0.690 -3.129 13.884 1.00 0.00 N ATOM 932 CA ASP A 137 -0.541 -2.051 14.854 1.00 0.00 C ATOM 933 C ASP A 137 0.184 -0.859 14.235 1.00 0.00 C ATOM 934 O ASP A 137 -0.263 0.282 14.351 1.00 0.00 O ATOM 935 CB ASP A 137 0.221 -2.544 16.084 1.00 0.00 C ATOM 936 CG ASP A 137 -0.177 -1.805 17.347 1.00 0.00 C ATOM 937 OD1 ASP A 137 -0.332 -0.568 17.285 1.00 0.00 O ATOM 938 OD2 ASP A 137 -0.331 -2.464 18.397 1.00 0.00 O ATOM 0 H ASP A 137 -0.110 -3.947 14.071 1.00 0.00 H new ATOM 0 HA ASP A 137 -1.537 -1.730 15.158 1.00 0.00 H new ATOM 0 HB2 ASP A 137 0.038 -3.610 16.218 1.00 0.00 H new ATOM 0 HB3 ASP A 137 1.291 -2.422 15.917 1.00 0.00 H new ATOM 943 N LYS A 138 1.306 -1.132 13.578 1.00 0.00 N ATOM 944 CA LYS A 138 2.094 -0.084 12.940 1.00 0.00 C ATOM 945 C LYS A 138 1.226 0.761 12.012 1.00 0.00 C ATOM 946 O LYS A 138 1.327 1.987 11.999 1.00 0.00 O ATOM 947 CB LYS A 138 3.254 -0.697 12.153 1.00 0.00 C ATOM 948 CG LYS A 138 4.013 0.309 11.306 1.00 0.00 C ATOM 949 CD LYS A 138 4.649 1.391 12.162 1.00 0.00 C ATOM 950 CE LYS A 138 5.836 2.033 11.459 1.00 0.00 C ATOM 951 NZ LYS A 138 6.777 2.665 12.425 1.00 0.00 N ATOM 0 H LYS A 138 1.690 -2.071 13.473 1.00 0.00 H new ATOM 0 HA LYS A 138 2.495 0.561 13.722 1.00 0.00 H new ATOM 0 HB2 LYS A 138 3.947 -1.168 12.851 1.00 0.00 H new ATOM 0 HB3 LYS A 138 2.867 -1.485 11.507 1.00 0.00 H new ATOM 0 HG2 LYS A 138 4.786 -0.205 10.734 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.334 0.766 10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.907 2.154 12.396 1.00 0.00 H new ATOM 0 HD3 LYS A 138 4.975 0.962 13.110 1.00 0.00 H new ATOM 0 HE2 LYS A 138 6.365 1.278 10.877 1.00 0.00 H new ATOM 0 HE3 LYS A 138 5.478 2.785 10.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 7.572 3.091 11.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 6.279 3.403 12.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 7.138 1.943 13.081 1.00 0.00 H new ATOM 965 N TRP A 139 0.375 0.097 11.239 1.00 0.00 N ATOM 966 CA TRP A 139 -0.512 0.787 10.309 1.00 0.00 C ATOM 967 C TRP A 139 -1.457 1.724 11.053 1.00 0.00 C ATOM 968 O TRP A 139 -1.509 2.921 10.771 1.00 0.00 O ATOM 969 CB TRP A 139 -1.315 -0.225 9.491 1.00 0.00 C ATOM 970 CG TRP A 139 -2.338 0.411 8.599 1.00 0.00 C ATOM 971 CD1 TRP A 139 -3.696 0.326 8.718 1.00 0.00 C ATOM 972 CD2 TRP A 139 -2.085 1.227 7.450 1.00 0.00 C ATOM 973 NE1 TRP A 139 -4.302 1.040 7.713 1.00 0.00 N ATOM 974 CE2 TRP A 139 -3.336 1.603 6.922 1.00 0.00 C ATOM 975 CE3 TRP A 139 -0.924 1.679 6.818 1.00 0.00 C ATOM 976 CZ2 TRP A 139 -3.455 2.407 5.792 1.00 0.00 C ATOM 977 CZ3 TRP A 139 -1.044 2.477 5.696 1.00 0.00 C ATOM 978 CH2 TRP A 139 -2.302 2.835 5.193 1.00 0.00 C ATOM 0 H TRP A 139 0.280 -0.919 11.237 1.00 0.00 H new ATOM 0 HA TRP A 139 0.102 1.382 9.633 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -0.630 -0.815 8.883 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.815 -0.916 10.170 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -4.217 -0.222 9.489 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -5.308 1.135 7.578 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.050 1.410 7.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.423 2.683 5.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -0.153 2.831 5.198 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.362 3.461 4.315 1.00 0.00 H new ATOM 989 N ARG A 140 -2.204 1.172 12.004 1.00 0.00 N ATOM 990 CA ARG A 140 -3.149 1.959 12.787 1.00 0.00 C ATOM 991 C ARG A 140 -2.523 3.279 13.228 1.00 0.00 C ATOM 992 O ARG A 140 -3.162 4.329 13.175 1.00 0.00 O ATOM 993 CB ARG A 140 -3.613 1.168 14.011 1.00 0.00 C ATOM 994 CG ARG A 140 -4.799 0.258 13.735 1.00 0.00 C ATOM 995 CD ARG A 140 -5.599 -0.013 14.999 1.00 0.00 C ATOM 996 NE ARG A 140 -6.637 0.991 15.216 1.00 0.00 N ATOM 997 CZ ARG A 140 -7.483 0.964 16.240 1.00 0.00 C ATOM 998 NH1 ARG A 140 -7.413 -0.011 17.136 1.00 0.00 N ATOM 999 NH2 ARG A 140 -8.401 1.913 16.369 1.00 0.00 N ATOM 0 H ARG A 140 -2.173 0.183 12.251 1.00 0.00 H new ATOM 0 HA ARG A 140 -4.011 2.178 12.157 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -2.783 0.566 14.380 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -3.879 1.866 14.805 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -5.444 0.717 12.986 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -4.446 -0.685 13.317 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -6.057 -1.000 14.933 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -4.927 -0.030 15.857 1.00 0.00 H new ATOM 0 HE ARG A 140 -6.717 1.755 14.545 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -6.709 -0.742 17.040 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -8.064 -0.030 17.921 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -8.458 2.664 15.682 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -9.050 1.891 17.156 1.00 0.00 H new ATOM 1013 N ASN A 141 -1.268 3.216 13.663 1.00 0.00 N ATOM 1014 CA ASN A 141 -0.556 4.406 14.115 1.00 0.00 C ATOM 1015 C ASN A 141 -0.424 5.423 12.985 1.00 0.00 C ATOM 1016 O ASN A 141 -0.748 6.599 13.152 1.00 0.00 O ATOM 1017 CB ASN A 141 0.830 4.027 14.640 1.00 0.00 C ATOM 1018 CG ASN A 141 1.353 5.020 15.660 1.00 0.00 C ATOM 1019 OD1 ASN A 141 0.580 5.660 16.372 1.00 0.00 O ATOM 1020 ND2 ASN A 141 2.673 5.151 15.735 1.00 0.00 N ATOM 0 H ASN A 141 -0.724 2.355 13.712 1.00 0.00 H new ATOM 0 HA ASN A 141 -1.132 4.859 14.922 1.00 0.00 H new ATOM 0 HB2 ASN A 141 0.786 3.036 15.091 1.00 0.00 H new ATOM 0 HB3 ASN A 141 1.528 3.966 13.805 1.00 0.00 H new ATOM 0 HD21 ASN A 141 3.084 5.803 16.403 1.00 0.00 H new ATOM 0 HD22 ASN A 141 3.276 4.599 15.124 1.00 0.00 H new ATOM 1027 N LEU A 142 0.053 4.961 11.834 1.00 0.00 N ATOM 1028 CA LEU A 142 0.228 5.829 10.675 1.00 0.00 C ATOM 1029 C LEU A 142 -1.016 6.681 10.440 1.00 0.00 C ATOM 1030 O LEU A 142 -0.922 7.889 10.220 1.00 0.00 O ATOM 1031 CB LEU A 142 0.531 4.995 9.429 1.00 0.00 C ATOM 1032 CG LEU A 142 1.943 4.414 9.338 1.00 0.00 C ATOM 1033 CD1 LEU A 142 1.996 3.302 8.302 1.00 0.00 C ATOM 1034 CD2 LEU A 142 2.949 5.506 9.004 1.00 0.00 C ATOM 0 H LEU A 142 0.325 3.990 11.679 1.00 0.00 H new ATOM 0 HA LEU A 142 1.069 6.493 10.873 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -0.183 4.172 9.384 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.357 5.615 8.550 1.00 0.00 H new ATOM 0 HG LEU A 142 2.205 3.992 10.308 1.00 0.00 H new ATOM 0 HD11 LEU A 142 3.008 2.900 8.251 1.00 0.00 H new ATOM 0 HD12 LEU A 142 1.304 2.508 8.585 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.714 3.699 7.327 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.948 5.074 8.943 1.00 0.00 H new ATOM 0 HD22 LEU A 142 2.690 5.958 8.047 1.00 0.00 H new ATOM 0 HD23 LEU A 142 2.930 6.269 9.783 1.00 0.00 H new ATOM 1046 N LEU A 143 -2.181 6.044 10.491 1.00 0.00 N ATOM 1047 CA LEU A 143 -3.445 6.743 10.286 1.00 0.00 C ATOM 1048 C LEU A 143 -3.620 7.861 11.308 1.00 0.00 C ATOM 1049 O LEU A 143 -3.886 9.008 10.951 1.00 0.00 O ATOM 1050 CB LEU A 143 -4.614 5.761 10.380 1.00 0.00 C ATOM 1051 CG LEU A 143 -4.433 4.429 9.651 1.00 0.00 C ATOM 1052 CD1 LEU A 143 -5.646 3.536 9.862 1.00 0.00 C ATOM 1053 CD2 LEU A 143 -4.192 4.663 8.167 1.00 0.00 C ATOM 0 H LEU A 143 -2.276 5.045 10.673 1.00 0.00 H new ATOM 0 HA LEU A 143 -3.431 7.186 9.290 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -4.804 5.553 11.433 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -5.505 6.250 9.986 1.00 0.00 H new ATOM 0 HG LEU A 143 -3.560 3.925 10.066 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -5.499 2.593 9.336 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -5.774 3.342 10.927 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -6.535 4.033 9.475 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -4.065 3.705 7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -5.045 5.188 7.738 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -3.292 5.264 8.035 1.00 0.00 H new ATOM 1065 N LYS A 144 -3.468 7.519 12.583 1.00 0.00 N ATOM 1066 CA LYS A 144 -3.606 8.493 13.659 1.00 0.00 C ATOM 1067 C LYS A 144 -2.860 9.781 13.326 1.00 0.00 C ATOM 1068 O LYS A 144 -3.386 10.878 13.508 1.00 0.00 O ATOM 1069 CB LYS A 144 -3.080 7.911 14.973 1.00 0.00 C ATOM 1070 CG LYS A 144 -3.439 8.741 16.193 1.00 0.00 C ATOM 1071 CD LYS A 144 -3.662 7.868 17.416 1.00 0.00 C ATOM 1072 CE LYS A 144 -4.042 8.698 18.633 1.00 0.00 C ATOM 1073 NZ LYS A 144 -4.485 7.846 19.770 1.00 0.00 N ATOM 0 H LYS A 144 -3.249 6.573 12.896 1.00 0.00 H new ATOM 0 HA LYS A 144 -4.665 8.726 13.771 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -3.477 6.904 15.099 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -1.995 7.820 14.912 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -2.641 9.455 16.396 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -4.340 9.319 15.988 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -4.450 7.144 17.208 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -2.756 7.301 17.630 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -3.188 9.301 18.942 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -4.840 9.390 18.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -4.735 8.450 20.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -5.316 7.289 19.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -3.715 7.203 20.043 1.00 0.00 H new ATOM 1087 N GLU A 145 -1.632 9.638 12.837 1.00 0.00 N ATOM 1088 CA GLU A 145 -0.814 10.791 12.479 1.00 0.00 C ATOM 1089 C GLU A 145 -1.308 11.426 11.182 1.00 0.00 C ATOM 1090 O GLU A 145 -1.494 12.641 11.104 1.00 0.00 O ATOM 1091 CB GLU A 145 0.652 10.378 12.331 1.00 0.00 C ATOM 1092 CG GLU A 145 1.222 9.705 13.568 1.00 0.00 C ATOM 1093 CD GLU A 145 1.296 10.640 14.760 1.00 0.00 C ATOM 1094 OE1 GLU A 145 2.032 11.647 14.678 1.00 0.00 O ATOM 1095 OE2 GLU A 145 0.620 10.366 15.773 1.00 0.00 O ATOM 0 H GLU A 145 -1.182 8.736 12.680 1.00 0.00 H new ATOM 0 HA GLU A 145 -0.898 11.527 13.279 1.00 0.00 H new ATOM 0 HB2 GLU A 145 0.746 9.700 11.483 1.00 0.00 H new ATOM 0 HB3 GLU A 145 1.248 11.261 12.101 1.00 0.00 H new ATOM 0 HG2 GLU A 145 0.606 8.843 13.825 1.00 0.00 H new ATOM 0 HG3 GLU A 145 2.220 9.328 13.344 1.00 0.00 H new