USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 501 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 114 HIS : no HD1:sc= -0.847 K(o=-1.7,f=-2.3) USER MOD Set 1.2: A 118 GLN :FLIP amide:sc= -0.853 F(o=-5,f=-1.7) USER MOD Single : A 89 GLN : amide:sc= -3.29! C(o=-3.3!,f=-8.4!) USER MOD Single : A 92 THR OG1 : rot 87:sc= 1.29 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 168:sc= 0 (180deg=-0.141) USER MOD Single : A 107 ASN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -0.37 K(o=-0.37,f=-1.1) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -50:sc= 0.249 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 163:sc=-0.00955 (180deg=-0.212) USER MOD Single : A 123 MET CE :methyl 148:sc= -3.76 (180deg=-8.52!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= -1.08 USER MOD Single : A 134 MET CE :methyl 160:sc= -0.0521 (180deg=-0.4) USER MOD Single : A 135 CYS SG : rot 180:sc= -4.81! USER MOD Single : A 136 THR OG1 : rot 80:sc= 0.642 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 10.011 0.248 10.463 1.00 0.00 N ATOM 109 CA TRP A 87 9.604 -0.257 9.157 1.00 0.00 C ATOM 110 C TRP A 87 10.521 0.271 8.059 1.00 0.00 C ATOM 111 O TRP A 87 10.819 1.465 8.006 1.00 0.00 O ATOM 112 CB TRP A 87 8.156 0.139 8.863 1.00 0.00 C ATOM 113 CG TRP A 87 7.150 -0.750 9.530 1.00 0.00 C ATOM 114 CD1 TRP A 87 7.004 -0.960 10.872 1.00 0.00 C ATOM 115 CD2 TRP A 87 6.152 -1.549 8.886 1.00 0.00 C ATOM 116 NE1 TRP A 87 5.976 -1.842 11.100 1.00 0.00 N ATOM 117 CE2 TRP A 87 5.436 -2.217 9.898 1.00 0.00 C ATOM 118 CE3 TRP A 87 5.792 -1.763 7.553 1.00 0.00 C ATOM 119 CZ2 TRP A 87 4.384 -3.085 9.617 1.00 0.00 C ATOM 120 CZ3 TRP A 87 4.748 -2.625 7.275 1.00 0.00 C ATOM 121 CH2 TRP A 87 4.053 -3.276 8.303 1.00 0.00 C ATOM 0 HA TRP A 87 9.680 -1.344 9.176 1.00 0.00 H new ATOM 0 HB2 TRP A 87 7.995 1.167 9.189 1.00 0.00 H new ATOM 0 HB3 TRP A 87 7.992 0.117 7.786 1.00 0.00 H new ATOM 0 HD1 TRP A 87 7.608 -0.500 11.640 1.00 0.00 H new ATOM 0 HE1 TRP A 87 5.665 -2.165 12.016 1.00 0.00 H new ATOM 0 HE3 TRP A 87 6.320 -1.264 6.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 3.849 -3.589 10.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 4.463 -2.800 6.248 1.00 0.00 H new ATOM 0 HH2 TRP A 87 3.240 -3.942 8.053 1.00 0.00 H new ATOM 132 N VAL A 88 10.966 -0.625 7.184 1.00 0.00 N ATOM 133 CA VAL A 88 11.848 -0.248 6.086 1.00 0.00 C ATOM 134 C VAL A 88 11.058 0.344 4.924 1.00 0.00 C ATOM 135 O VAL A 88 9.893 0.006 4.718 1.00 0.00 O ATOM 136 CB VAL A 88 12.660 -1.455 5.579 1.00 0.00 C ATOM 137 CG1 VAL A 88 13.514 -2.032 6.697 1.00 0.00 C ATOM 138 CG2 VAL A 88 11.733 -2.515 5.003 1.00 0.00 C ATOM 0 H VAL A 88 10.730 -1.617 7.214 1.00 0.00 H new ATOM 0 HA VAL A 88 12.534 0.504 6.475 1.00 0.00 H new ATOM 0 HB VAL A 88 13.325 -1.116 4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.080 -2.884 6.320 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.204 -1.269 7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.871 -2.357 7.515 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.323 -3.361 4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.042 -2.852 5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.170 -2.092 4.171 1.00 0.00 H new ATOM 148 N GLN A 89 11.701 1.228 4.168 1.00 0.00 N ATOM 149 CA GLN A 89 11.058 1.867 3.027 1.00 0.00 C ATOM 150 C GLN A 89 10.396 0.831 2.124 1.00 0.00 C ATOM 151 O GLN A 89 9.292 1.045 1.622 1.00 0.00 O ATOM 152 CB GLN A 89 12.079 2.679 2.227 1.00 0.00 C ATOM 153 CG GLN A 89 13.229 1.845 1.686 1.00 0.00 C ATOM 154 CD GLN A 89 12.938 1.272 0.313 1.00 0.00 C ATOM 155 OE1 GLN A 89 11.789 1.238 -0.128 1.00 0.00 O ATOM 156 NE2 GLN A 89 13.981 0.817 -0.372 1.00 0.00 N ATOM 0 H GLN A 89 12.666 1.518 4.325 1.00 0.00 H new ATOM 0 HA GLN A 89 10.287 2.538 3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.571 3.166 1.395 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.481 3.469 2.862 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.127 2.461 1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.439 1.030 2.379 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.916 0.865 0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.847 0.420 -1.302 1.00 0.00 H new ATOM 165 N ASP A 90 11.077 -0.292 1.922 1.00 0.00 N ATOM 166 CA ASP A 90 10.554 -1.362 1.081 1.00 0.00 C ATOM 167 C ASP A 90 9.209 -1.857 1.604 1.00 0.00 C ATOM 168 O ASP A 90 8.188 -1.734 0.930 1.00 0.00 O ATOM 169 CB ASP A 90 11.549 -2.522 1.018 1.00 0.00 C ATOM 170 CG ASP A 90 12.962 -2.058 0.722 1.00 0.00 C ATOM 171 OD1 ASP A 90 13.646 -1.604 1.663 1.00 0.00 O ATOM 172 OD2 ASP A 90 13.382 -2.147 -0.451 1.00 0.00 O ATOM 0 H ASP A 90 11.992 -0.485 2.329 1.00 0.00 H new ATOM 0 HA ASP A 90 10.408 -0.963 0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.537 -3.059 1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.233 -3.227 0.249 1.00 0.00 H new ATOM 177 N GLU A 91 9.219 -2.418 2.810 1.00 0.00 N ATOM 178 CA GLU A 91 8.000 -2.933 3.421 1.00 0.00 C ATOM 179 C GLU A 91 6.903 -1.871 3.427 1.00 0.00 C ATOM 180 O GLU A 91 5.743 -2.158 3.131 1.00 0.00 O ATOM 181 CB GLU A 91 8.279 -3.401 4.851 1.00 0.00 C ATOM 182 CG GLU A 91 9.190 -4.615 4.927 1.00 0.00 C ATOM 183 CD GLU A 91 9.357 -5.131 6.343 1.00 0.00 C ATOM 184 OE1 GLU A 91 10.023 -4.448 7.149 1.00 0.00 O ATOM 185 OE2 GLU A 91 8.823 -6.218 6.645 1.00 0.00 O ATOM 0 H GLU A 91 10.057 -2.527 3.382 1.00 0.00 H new ATOM 0 HA GLU A 91 7.657 -3.781 2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.731 -2.582 5.411 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.333 -3.636 5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.784 -5.409 4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.168 -4.357 4.521 1.00 0.00 H new ATOM 192 N THR A 92 7.279 -0.642 3.768 1.00 0.00 N ATOM 193 CA THR A 92 6.330 0.462 3.814 1.00 0.00 C ATOM 194 C THR A 92 5.686 0.692 2.452 1.00 0.00 C ATOM 195 O THR A 92 4.462 0.688 2.324 1.00 0.00 O ATOM 196 CB THR A 92 7.007 1.766 4.276 1.00 0.00 C ATOM 197 OG1 THR A 92 7.825 1.514 5.424 1.00 0.00 O ATOM 198 CG2 THR A 92 5.968 2.826 4.610 1.00 0.00 C ATOM 0 H THR A 92 8.235 -0.387 4.016 1.00 0.00 H new ATOM 0 HA THR A 92 5.560 0.186 4.534 1.00 0.00 H new ATOM 0 HB THR A 92 7.630 2.134 3.461 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.717 1.230 5.134 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.470 3.738 4.934 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.366 3.037 3.726 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.322 2.463 5.410 1.00 0.00 H new ATOM 206 N ARG A 93 6.519 0.890 1.435 1.00 0.00 N ATOM 207 CA ARG A 93 6.030 1.122 0.081 1.00 0.00 C ATOM 208 C ARG A 93 5.204 -0.064 -0.409 1.00 0.00 C ATOM 209 O ARG A 93 4.041 0.089 -0.781 1.00 0.00 O ATOM 210 CB ARG A 93 7.202 1.370 -0.871 1.00 0.00 C ATOM 211 CG ARG A 93 7.593 2.834 -0.987 1.00 0.00 C ATOM 212 CD ARG A 93 8.280 3.329 0.276 1.00 0.00 C ATOM 213 NE ARG A 93 8.423 4.782 0.287 1.00 0.00 N ATOM 214 CZ ARG A 93 7.455 5.613 0.658 1.00 0.00 C ATOM 215 NH1 ARG A 93 6.281 5.137 1.046 1.00 0.00 N ATOM 216 NH2 ARG A 93 7.662 6.924 0.642 1.00 0.00 N ATOM 0 H ARG A 93 7.535 0.894 1.523 1.00 0.00 H new ATOM 0 HA ARG A 93 5.391 2.005 0.098 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.065 0.798 -0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.942 0.993 -1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.258 2.968 -1.840 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.704 3.435 -1.178 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.706 3.015 1.148 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.264 2.867 0.358 1.00 0.00 H new ATOM 0 HE ARG A 93 9.315 5.181 -0.006 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.118 4.130 1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.540 5.777 1.330 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.565 7.294 0.345 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.918 7.561 0.927 1.00 0.00 H new ATOM 230 N SER A 94 5.814 -1.245 -0.407 1.00 0.00 N ATOM 231 CA SER A 94 5.137 -2.456 -0.855 1.00 0.00 C ATOM 232 C SER A 94 3.789 -2.614 -0.159 1.00 0.00 C ATOM 233 O SER A 94 2.778 -2.908 -0.797 1.00 0.00 O ATOM 234 CB SER A 94 6.010 -3.683 -0.586 1.00 0.00 C ATOM 235 OG SER A 94 7.082 -3.760 -1.510 1.00 0.00 O ATOM 0 H SER A 94 6.776 -1.389 -0.100 1.00 0.00 H new ATOM 0 HA SER A 94 4.964 -2.370 -1.928 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.404 -3.637 0.429 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.403 -4.586 -0.652 1.00 0.00 H new ATOM 0 HG SER A 94 7.626 -4.552 -1.315 1.00 0.00 H new ATOM 241 N LEU A 95 3.782 -2.417 1.155 1.00 0.00 N ATOM 242 CA LEU A 95 2.559 -2.537 1.940 1.00 0.00 C ATOM 243 C LEU A 95 1.422 -1.746 1.301 1.00 0.00 C ATOM 244 O LEU A 95 0.433 -2.321 0.844 1.00 0.00 O ATOM 245 CB LEU A 95 2.796 -2.046 3.369 1.00 0.00 C ATOM 246 CG LEU A 95 1.544 -1.772 4.202 1.00 0.00 C ATOM 247 CD1 LEU A 95 0.976 -3.069 4.756 1.00 0.00 C ATOM 248 CD2 LEU A 95 1.855 -0.799 5.330 1.00 0.00 C ATOM 0 H LEU A 95 4.610 -2.173 1.699 1.00 0.00 H new ATOM 0 HA LEU A 95 2.276 -3.589 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.400 -2.788 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.385 -1.130 3.324 1.00 0.00 H new ATOM 0 HG LEU A 95 0.794 -1.318 3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.085 -2.853 5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.714 -3.733 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.721 -3.552 5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.952 -0.616 5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.623 -1.224 5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.213 0.141 4.911 1.00 0.00 H new ATOM 260 N ILE A 96 1.569 -0.426 1.271 1.00 0.00 N ATOM 261 CA ILE A 96 0.556 0.443 0.685 1.00 0.00 C ATOM 262 C ILE A 96 0.119 -0.069 -0.683 1.00 0.00 C ATOM 263 O ILE A 96 -1.075 -0.157 -0.971 1.00 0.00 O ATOM 264 CB ILE A 96 1.069 1.888 0.541 1.00 0.00 C ATOM 265 CG1 ILE A 96 1.272 2.520 1.919 1.00 0.00 C ATOM 266 CG2 ILE A 96 0.098 2.714 -0.290 1.00 0.00 C ATOM 267 CD1 ILE A 96 2.018 3.835 1.876 1.00 0.00 C ATOM 0 H ILE A 96 2.380 0.065 1.646 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.298 0.436 1.363 1.00 0.00 H new ATOM 0 HB ILE A 96 2.030 1.868 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.299 2.678 2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 96 1.819 1.822 2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.474 3.733 -0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -0.000 2.272 -1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.876 2.730 0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.126 4.226 2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.005 3.679 1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.462 4.549 1.269 1.00 0.00 H new ATOM 279 N MET A 97 1.093 -0.406 -1.522 1.00 0.00 N ATOM 280 CA MET A 97 0.807 -0.913 -2.860 1.00 0.00 C ATOM 281 C MET A 97 -0.217 -2.042 -2.807 1.00 0.00 C ATOM 282 O MET A 97 -1.352 -1.885 -3.258 1.00 0.00 O ATOM 283 CB MET A 97 2.093 -1.405 -3.526 1.00 0.00 C ATOM 284 CG MET A 97 2.821 -0.327 -4.313 1.00 0.00 C ATOM 285 SD MET A 97 4.464 -0.845 -4.845 1.00 0.00 S ATOM 286 CE MET A 97 4.056 -1.872 -6.254 1.00 0.00 C ATOM 0 H MET A 97 2.086 -0.337 -1.300 1.00 0.00 H new ATOM 0 HA MET A 97 0.390 -0.097 -3.450 1.00 0.00 H new ATOM 0 HB2 MET A 97 2.762 -1.798 -2.760 1.00 0.00 H new ATOM 0 HB3 MET A 97 1.853 -2.232 -4.195 1.00 0.00 H new ATOM 0 HG2 MET A 97 2.228 -0.058 -5.187 1.00 0.00 H new ATOM 0 HG3 MET A 97 2.908 0.569 -3.699 1.00 0.00 H new ATOM 0 HE1 MET A 97 4.972 -2.268 -6.693 1.00 0.00 H new ATOM 0 HE2 MET A 97 3.422 -2.698 -5.931 1.00 0.00 H new ATOM 0 HE3 MET A 97 3.525 -1.276 -6.997 1.00 0.00 H new ATOM 296 N PHE A 98 0.191 -3.179 -2.254 1.00 0.00 N ATOM 297 CA PHE A 98 -0.691 -4.335 -2.143 1.00 0.00 C ATOM 298 C PHE A 98 -2.116 -3.902 -1.814 1.00 0.00 C ATOM 299 O PHE A 98 -3.080 -4.414 -2.384 1.00 0.00 O ATOM 300 CB PHE A 98 -0.176 -5.295 -1.068 1.00 0.00 C ATOM 301 CG PHE A 98 1.197 -5.833 -1.353 1.00 0.00 C ATOM 302 CD1 PHE A 98 1.465 -6.489 -2.545 1.00 0.00 C ATOM 303 CD2 PHE A 98 2.219 -5.684 -0.430 1.00 0.00 C ATOM 304 CE1 PHE A 98 2.727 -6.986 -2.809 1.00 0.00 C ATOM 305 CE2 PHE A 98 3.484 -6.179 -0.689 1.00 0.00 C ATOM 306 CZ PHE A 98 3.738 -6.830 -1.881 1.00 0.00 C ATOM 0 H PHE A 98 1.127 -3.325 -1.876 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.699 -4.848 -3.105 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.163 -4.779 -0.108 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.872 -6.129 -0.973 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.679 -6.613 -3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.026 -5.175 0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.923 -7.496 -3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.272 -6.057 0.039 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.725 -7.216 -2.087 1.00 0.00 H new ATOM 316 N ARG A 99 -2.242 -2.956 -0.889 1.00 0.00 N ATOM 317 CA ARG A 99 -3.549 -2.454 -0.481 1.00 0.00 C ATOM 318 C ARG A 99 -4.293 -1.849 -1.668 1.00 0.00 C ATOM 319 O ARG A 99 -5.304 -2.387 -2.120 1.00 0.00 O ATOM 320 CB ARG A 99 -3.396 -1.410 0.626 1.00 0.00 C ATOM 321 CG ARG A 99 -4.652 -1.217 1.459 1.00 0.00 C ATOM 322 CD ARG A 99 -4.814 -2.325 2.487 1.00 0.00 C ATOM 323 NE ARG A 99 -3.539 -2.701 3.093 1.00 0.00 N ATOM 324 CZ ARG A 99 -2.978 -2.035 4.096 1.00 0.00 C ATOM 325 NH1 ARG A 99 -3.575 -0.966 4.604 1.00 0.00 N ATOM 326 NH2 ARG A 99 -1.816 -2.439 4.594 1.00 0.00 N ATOM 0 H ARG A 99 -1.455 -2.522 -0.408 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.130 -3.294 -0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -2.577 -1.706 1.282 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -3.117 -0.456 0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -4.609 -0.253 1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.524 -1.195 0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.503 -1.999 3.266 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.261 -3.198 2.011 1.00 0.00 H new ATOM 0 HE ARG A 99 -3.053 -3.519 2.726 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -4.468 -0.652 4.225 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.141 -0.457 5.374 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.353 -3.261 4.206 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.386 -1.927 5.364 1.00 0.00 H new ATOM 340 N ARG A 100 -3.786 -0.726 -2.167 1.00 0.00 N ATOM 341 CA ARG A 100 -4.403 -0.046 -3.299 1.00 0.00 C ATOM 342 C ARG A 100 -5.006 -1.053 -4.275 1.00 0.00 C ATOM 343 O ARG A 100 -6.069 -0.817 -4.847 1.00 0.00 O ATOM 344 CB ARG A 100 -3.374 0.826 -4.021 1.00 0.00 C ATOM 345 CG ARG A 100 -2.770 1.909 -3.142 1.00 0.00 C ATOM 346 CD ARG A 100 -2.111 2.998 -3.974 1.00 0.00 C ATOM 347 NE ARG A 100 -1.162 3.785 -3.191 1.00 0.00 N ATOM 348 CZ ARG A 100 -0.278 4.619 -3.730 1.00 0.00 C ATOM 349 NH1 ARG A 100 -0.223 4.772 -5.045 1.00 0.00 N ATOM 350 NH2 ARG A 100 0.552 5.300 -2.951 1.00 0.00 N ATOM 0 H ARG A 100 -2.950 -0.268 -1.805 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.203 0.589 -2.917 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -2.574 0.190 -4.401 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -3.848 1.293 -4.885 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -3.548 2.348 -2.517 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.034 1.466 -2.471 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -1.595 2.545 -4.821 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -2.878 3.656 -4.383 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.178 3.690 -2.176 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.860 4.249 -5.646 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.456 5.413 -5.456 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.512 5.184 -1.938 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.230 5.940 -3.365 1.00 0.00 H new ATOM 364 N GLY A 101 -4.318 -2.175 -4.460 1.00 0.00 N ATOM 365 CA GLY A 101 -4.801 -3.200 -5.366 1.00 0.00 C ATOM 366 C GLY A 101 -6.069 -3.865 -4.868 1.00 0.00 C ATOM 367 O GLY A 101 -7.036 -4.009 -5.615 1.00 0.00 O ATOM 0 H GLY A 101 -3.435 -2.392 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.987 -2.757 -6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.027 -3.956 -5.500 1.00 0.00 H new ATOM 371 N MET A 102 -6.063 -4.273 -3.603 1.00 0.00 N ATOM 372 CA MET A 102 -7.222 -4.927 -3.007 1.00 0.00 C ATOM 373 C MET A 102 -8.095 -3.918 -2.267 1.00 0.00 C ATOM 374 O MET A 102 -8.963 -4.293 -1.479 1.00 0.00 O ATOM 375 CB MET A 102 -6.774 -6.031 -2.047 1.00 0.00 C ATOM 376 CG MET A 102 -5.973 -7.133 -2.720 1.00 0.00 C ATOM 377 SD MET A 102 -4.876 -7.992 -1.576 1.00 0.00 S ATOM 378 CE MET A 102 -6.048 -8.564 -0.348 1.00 0.00 C ATOM 0 H MET A 102 -5.269 -4.162 -2.972 1.00 0.00 H new ATOM 0 HA MET A 102 -7.810 -5.370 -3.810 1.00 0.00 H new ATOM 0 HB2 MET A 102 -6.172 -5.589 -1.253 1.00 0.00 H new ATOM 0 HB3 MET A 102 -7.653 -6.469 -1.574 1.00 0.00 H new ATOM 0 HG2 MET A 102 -6.658 -7.852 -3.169 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.383 -6.705 -3.531 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.564 -9.287 0.308 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.399 -7.717 0.242 1.00 0.00 H new ATOM 0 HE3 MET A 102 -6.895 -9.036 -0.846 1.00 0.00 H new ATOM 388 N ASP A 103 -7.860 -2.636 -2.527 1.00 0.00 N ATOM 389 CA ASP A 103 -8.625 -1.573 -1.887 1.00 0.00 C ATOM 390 C ASP A 103 -10.121 -1.869 -1.947 1.00 0.00 C ATOM 391 O ASP A 103 -10.861 -1.571 -1.010 1.00 0.00 O ATOM 392 CB ASP A 103 -8.331 -0.230 -2.555 1.00 0.00 C ATOM 393 CG ASP A 103 -9.307 0.088 -3.671 1.00 0.00 C ATOM 394 OD1 ASP A 103 -9.260 -0.599 -4.714 1.00 0.00 O ATOM 395 OD2 ASP A 103 -10.118 1.022 -3.502 1.00 0.00 O ATOM 0 H ASP A 103 -7.145 -2.308 -3.177 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.324 -1.522 -0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.370 0.561 -1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.317 -0.241 -2.955 1.00 0.00 H new ATOM 400 N GLY A 104 -10.559 -2.456 -3.056 1.00 0.00 N ATOM 401 CA GLY A 104 -11.964 -2.780 -3.219 1.00 0.00 C ATOM 402 C GLY A 104 -12.430 -3.843 -2.243 1.00 0.00 C ATOM 403 O GLY A 104 -13.438 -3.668 -1.558 1.00 0.00 O ATOM 0 H GLY A 104 -9.966 -2.713 -3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.560 -1.878 -3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -12.139 -3.125 -4.238 1.00 0.00 H new ATOM 407 N LEU A 105 -11.696 -4.949 -2.181 1.00 0.00 N ATOM 408 CA LEU A 105 -12.040 -6.046 -1.283 1.00 0.00 C ATOM 409 C LEU A 105 -12.372 -5.524 0.112 1.00 0.00 C ATOM 410 O LEU A 105 -13.228 -6.075 0.804 1.00 0.00 O ATOM 411 CB LEU A 105 -10.887 -7.048 -1.205 1.00 0.00 C ATOM 412 CG LEU A 105 -10.708 -7.961 -2.418 1.00 0.00 C ATOM 413 CD1 LEU A 105 -9.398 -8.727 -2.321 1.00 0.00 C ATOM 414 CD2 LEU A 105 -11.882 -8.921 -2.541 1.00 0.00 C ATOM 0 H LEU A 105 -10.859 -5.110 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 105 -12.922 -6.547 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.961 -6.494 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.034 -7.673 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 105 -10.677 -7.341 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.288 -9.372 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.567 -8.023 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.399 -9.336 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -11.737 -9.563 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -11.946 -9.535 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -12.805 -8.354 -2.659 1.00 0.00 H new ATOM 426 N PHE A 106 -11.689 -4.459 0.517 1.00 0.00 N ATOM 427 CA PHE A 106 -11.912 -3.862 1.828 1.00 0.00 C ATOM 428 C PHE A 106 -13.317 -3.276 1.928 1.00 0.00 C ATOM 429 O PHE A 106 -13.939 -3.305 2.989 1.00 0.00 O ATOM 430 CB PHE A 106 -10.873 -2.772 2.099 1.00 0.00 C ATOM 431 CG PHE A 106 -9.591 -3.296 2.680 1.00 0.00 C ATOM 432 CD1 PHE A 106 -8.621 -3.853 1.861 1.00 0.00 C ATOM 433 CD2 PHE A 106 -9.355 -3.233 4.044 1.00 0.00 C ATOM 434 CE1 PHE A 106 -7.440 -4.337 2.393 1.00 0.00 C ATOM 435 CE2 PHE A 106 -8.177 -3.715 4.581 1.00 0.00 C ATOM 436 CZ PHE A 106 -7.218 -4.267 3.755 1.00 0.00 C ATOM 0 H PHE A 106 -10.977 -3.992 -0.044 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.810 -4.646 2.578 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.654 -2.251 1.167 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -11.299 -2.037 2.783 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.790 -3.910 0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.101 -2.802 4.695 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.692 -4.769 1.745 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.006 -3.660 5.646 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.296 -4.643 4.173 1.00 0.00 H new ATOM 446 N ASN A 107 -13.811 -2.745 0.814 1.00 0.00 N ATOM 447 CA ASN A 107 -15.142 -2.151 0.775 1.00 0.00 C ATOM 448 C ASN A 107 -16.204 -3.213 0.505 1.00 0.00 C ATOM 449 O ASN A 107 -17.110 -3.422 1.313 1.00 0.00 O ATOM 450 CB ASN A 107 -15.208 -1.064 -0.299 1.00 0.00 C ATOM 451 CG ASN A 107 -16.387 -0.131 -0.106 1.00 0.00 C ATOM 452 OD1 ASN A 107 -16.228 1.002 0.350 1.00 0.00 O ATOM 453 ND2 ASN A 107 -17.578 -0.603 -0.454 1.00 0.00 N ATOM 0 H ASN A 107 -13.309 -2.714 -0.074 1.00 0.00 H new ATOM 0 HA ASN A 107 -15.340 -1.703 1.748 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -14.284 -0.486 -0.284 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -15.275 -1.531 -1.281 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -18.408 -0.020 -0.348 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -17.663 -1.548 -0.828 1.00 0.00 H new ATOM 460 N THR A 108 -16.085 -3.884 -0.637 1.00 0.00 N ATOM 461 CA THR A 108 -17.034 -4.924 -1.015 1.00 0.00 C ATOM 462 C THR A 108 -17.055 -6.049 0.014 1.00 0.00 C ATOM 463 O THR A 108 -18.120 -6.476 0.459 1.00 0.00 O ATOM 464 CB THR A 108 -16.699 -5.514 -2.398 1.00 0.00 C ATOM 465 OG1 THR A 108 -17.665 -6.510 -2.752 1.00 0.00 O ATOM 466 CG2 THR A 108 -15.306 -6.126 -2.402 1.00 0.00 C ATOM 0 H THR A 108 -15.341 -3.725 -1.316 1.00 0.00 H new ATOM 0 HA THR A 108 -18.017 -4.455 -1.057 1.00 0.00 H new ATOM 0 HB THR A 108 -16.726 -4.707 -3.130 1.00 0.00 H new ATOM 0 HG1 THR A 108 -17.446 -6.879 -3.633 1.00 0.00 H new ATOM 0 HG21 THR A 108 -15.092 -6.536 -3.389 1.00 0.00 H new ATOM 0 HG22 THR A 108 -14.571 -5.358 -2.161 1.00 0.00 H new ATOM 0 HG23 THR A 108 -15.256 -6.922 -1.659 1.00 0.00 H new ATOM 474 N SER A 109 -15.871 -6.524 0.388 1.00 0.00 N ATOM 475 CA SER A 109 -15.754 -7.603 1.363 1.00 0.00 C ATOM 476 C SER A 109 -15.541 -7.045 2.767 1.00 0.00 C ATOM 477 O SER A 109 -14.408 -6.827 3.196 1.00 0.00 O ATOM 478 CB SER A 109 -14.598 -8.532 0.990 1.00 0.00 C ATOM 479 OG SER A 109 -14.843 -9.855 1.435 1.00 0.00 O ATOM 0 H SER A 109 -14.980 -6.179 0.031 1.00 0.00 H new ATOM 0 HA SER A 109 -16.684 -8.171 1.354 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.459 -8.529 -0.091 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.673 -8.162 1.432 1.00 0.00 H new ATOM 0 HG SER A 109 -14.090 -10.430 1.183 1.00 0.00 H new ATOM 485 N LYS A 110 -16.639 -6.816 3.478 1.00 0.00 N ATOM 486 CA LYS A 110 -16.575 -6.284 4.835 1.00 0.00 C ATOM 487 C LYS A 110 -15.441 -6.934 5.621 1.00 0.00 C ATOM 488 O LYS A 110 -14.637 -6.247 6.251 1.00 0.00 O ATOM 489 CB LYS A 110 -17.906 -6.512 5.557 1.00 0.00 C ATOM 490 CG LYS A 110 -17.887 -6.086 7.014 1.00 0.00 C ATOM 491 CD LYS A 110 -18.136 -4.594 7.163 1.00 0.00 C ATOM 492 CE LYS A 110 -16.833 -3.809 7.164 1.00 0.00 C ATOM 493 NZ LYS A 110 -16.252 -3.703 8.531 1.00 0.00 N ATOM 0 H LYS A 110 -17.585 -6.990 3.138 1.00 0.00 H new ATOM 0 HA LYS A 110 -16.382 -5.213 4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -18.691 -5.963 5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -18.165 -7.569 5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -18.647 -6.639 7.566 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -16.924 -6.341 7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -18.771 -4.247 6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -18.677 -4.405 8.090 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -16.116 -4.294 6.501 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -17.010 -2.810 6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -15.365 -3.161 8.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.925 -3.218 9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -16.059 -4.656 8.901 1.00 0.00 H new ATOM 507 N SER A 111 -15.381 -8.261 5.578 1.00 0.00 N ATOM 508 CA SER A 111 -14.346 -9.003 6.288 1.00 0.00 C ATOM 509 C SER A 111 -12.957 -8.503 5.902 1.00 0.00 C ATOM 510 O SER A 111 -12.472 -8.772 4.804 1.00 0.00 O ATOM 511 CB SER A 111 -14.464 -10.498 5.987 1.00 0.00 C ATOM 512 OG SER A 111 -15.374 -11.127 6.873 1.00 0.00 O ATOM 0 H SER A 111 -16.037 -8.844 5.059 1.00 0.00 H new ATOM 0 HA SER A 111 -14.487 -8.842 7.357 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.796 -10.640 4.959 1.00 0.00 H new ATOM 0 HB3 SER A 111 -13.484 -10.968 6.073 1.00 0.00 H new ATOM 0 HG SER A 111 -15.433 -12.081 6.658 1.00 0.00 H new ATOM 518 N ASN A 112 -12.324 -7.773 6.814 1.00 0.00 N ATOM 519 CA ASN A 112 -10.991 -7.233 6.570 1.00 0.00 C ATOM 520 C ASN A 112 -9.917 -8.171 7.114 1.00 0.00 C ATOM 521 O ASN A 112 -8.781 -8.175 6.638 1.00 0.00 O ATOM 522 CB ASN A 112 -10.851 -5.852 7.213 1.00 0.00 C ATOM 523 CG ASN A 112 -11.607 -5.745 8.523 1.00 0.00 C ATOM 524 OD1 ASN A 112 -11.303 -6.447 9.487 1.00 0.00 O ATOM 525 ND2 ASN A 112 -12.599 -4.862 8.563 1.00 0.00 N ATOM 0 H ASN A 112 -12.712 -7.542 7.728 1.00 0.00 H new ATOM 0 HA ASN A 112 -10.856 -7.139 5.492 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -9.796 -5.641 7.387 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -11.218 -5.093 6.522 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -13.144 -4.745 9.418 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -12.816 -4.301 7.739 1.00 0.00 H new ATOM 532 N LYS A 113 -10.284 -8.965 8.114 1.00 0.00 N ATOM 533 CA LYS A 113 -9.354 -9.908 8.723 1.00 0.00 C ATOM 534 C LYS A 113 -8.730 -10.815 7.668 1.00 0.00 C ATOM 535 O LYS A 113 -7.557 -11.178 7.762 1.00 0.00 O ATOM 536 CB LYS A 113 -10.072 -10.754 9.778 1.00 0.00 C ATOM 537 CG LYS A 113 -11.317 -11.449 9.256 1.00 0.00 C ATOM 538 CD LYS A 113 -11.799 -12.525 10.215 1.00 0.00 C ATOM 539 CE LYS A 113 -12.788 -11.968 11.226 1.00 0.00 C ATOM 540 NZ LYS A 113 -14.184 -11.994 10.708 1.00 0.00 N ATOM 0 H LYS A 113 -11.220 -8.974 8.520 1.00 0.00 H new ATOM 0 HA LYS A 113 -8.559 -9.337 9.203 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.381 -11.505 10.162 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -10.347 -10.116 10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.108 -10.715 9.104 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -11.105 -11.895 8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -12.268 -13.332 9.652 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -10.946 -12.956 10.739 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -12.731 -12.548 12.147 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -12.513 -10.944 11.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -14.828 -11.606 11.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -14.244 -11.420 9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -14.456 -12.974 10.492 1.00 0.00 H new ATOM 554 N HIS A 114 -9.521 -11.178 6.663 1.00 0.00 N ATOM 555 CA HIS A 114 -9.044 -12.041 5.588 1.00 0.00 C ATOM 556 C HIS A 114 -8.082 -11.288 4.673 1.00 0.00 C ATOM 557 O HIS A 114 -7.054 -11.826 4.259 1.00 0.00 O ATOM 558 CB HIS A 114 -10.223 -12.578 4.776 1.00 0.00 C ATOM 559 CG HIS A 114 -9.822 -13.554 3.712 1.00 0.00 C ATOM 560 ND1 HIS A 114 -8.908 -14.564 3.923 1.00 0.00 N ATOM 561 CD2 HIS A 114 -10.219 -13.670 2.423 1.00 0.00 C ATOM 562 CE1 HIS A 114 -8.758 -15.258 2.809 1.00 0.00 C ATOM 563 NE2 HIS A 114 -9.543 -14.737 1.884 1.00 0.00 N ATOM 0 H HIS A 114 -10.495 -10.888 6.571 1.00 0.00 H new ATOM 0 HA HIS A 114 -8.510 -12.878 6.037 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -10.930 -13.060 5.452 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.745 -11.741 4.312 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -10.934 -13.041 1.914 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -8.104 -16.107 2.677 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -9.633 -15.072 0.925 1.00 0.00 H new ATOM 571 N LEU A 115 -8.422 -10.043 4.361 1.00 0.00 N ATOM 572 CA LEU A 115 -7.589 -9.216 3.495 1.00 0.00 C ATOM 573 C LEU A 115 -6.236 -8.940 4.143 1.00 0.00 C ATOM 574 O LEU A 115 -5.191 -9.086 3.508 1.00 0.00 O ATOM 575 CB LEU A 115 -8.296 -7.896 3.183 1.00 0.00 C ATOM 576 CG LEU A 115 -9.800 -7.986 2.921 1.00 0.00 C ATOM 577 CD1 LEU A 115 -10.315 -6.689 2.317 1.00 0.00 C ATOM 578 CD2 LEU A 115 -10.114 -9.163 2.010 1.00 0.00 C ATOM 0 H LEU A 115 -9.269 -9.583 4.695 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.422 -9.760 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.133 -7.214 4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.821 -7.450 2.309 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.306 -8.145 3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.387 -6.772 2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.125 -5.866 3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -9.803 -6.498 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.189 -9.211 1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.597 -9.035 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -9.782 -10.087 2.482 1.00 0.00 H new ATOM 590 N TRP A 116 -6.262 -8.544 5.410 1.00 0.00 N ATOM 591 CA TRP A 116 -5.037 -8.250 6.144 1.00 0.00 C ATOM 592 C TRP A 116 -4.126 -9.472 6.195 1.00 0.00 C ATOM 593 O TRP A 116 -2.930 -9.376 5.922 1.00 0.00 O ATOM 594 CB TRP A 116 -5.368 -7.786 7.564 1.00 0.00 C ATOM 595 CG TRP A 116 -5.821 -6.359 7.632 1.00 0.00 C ATOM 596 CD1 TRP A 116 -7.073 -5.911 7.943 1.00 0.00 C ATOM 597 CD2 TRP A 116 -5.026 -5.195 7.383 1.00 0.00 C ATOM 598 NE1 TRP A 116 -7.104 -4.538 7.901 1.00 0.00 N ATOM 599 CE2 TRP A 116 -5.861 -4.075 7.561 1.00 0.00 C ATOM 600 CE3 TRP A 116 -3.690 -4.990 7.029 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -5.402 -2.771 7.395 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -3.236 -3.695 6.864 1.00 0.00 C ATOM 603 CH2 TRP A 116 -4.089 -2.599 7.048 1.00 0.00 C ATOM 0 H TRP A 116 -7.118 -8.419 5.951 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.512 -7.451 5.621 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -6.147 -8.427 7.976 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.487 -7.911 8.194 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -7.915 -6.543 8.186 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -7.921 -3.958 8.092 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -3.024 -5.828 6.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.059 -1.925 7.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -2.206 -3.525 6.588 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -3.703 -1.599 6.914 1.00 0.00 H new ATOM 614 N GLU A 117 -4.700 -10.619 6.545 1.00 0.00 N ATOM 615 CA GLU A 117 -3.938 -11.859 6.631 1.00 0.00 C ATOM 616 C GLU A 117 -3.299 -12.199 5.287 1.00 0.00 C ATOM 617 O GLU A 117 -2.208 -12.765 5.234 1.00 0.00 O ATOM 618 CB GLU A 117 -4.840 -13.008 7.084 1.00 0.00 C ATOM 619 CG GLU A 117 -4.921 -13.159 8.594 1.00 0.00 C ATOM 620 CD GLU A 117 -5.490 -14.500 9.016 1.00 0.00 C ATOM 621 OE1 GLU A 117 -5.106 -15.524 8.414 1.00 0.00 O ATOM 622 OE2 GLU A 117 -6.320 -14.524 9.950 1.00 0.00 O ATOM 0 H GLU A 117 -5.689 -10.715 6.773 1.00 0.00 H new ATOM 0 HA GLU A 117 -3.145 -11.718 7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -5.843 -12.849 6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -4.472 -13.939 6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -3.925 -13.040 9.021 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -5.541 -12.361 9.003 1.00 0.00 H new ATOM 629 N GLN A 118 -3.987 -11.849 4.206 1.00 0.00 N ATOM 630 CA GLN A 118 -3.488 -12.118 2.863 1.00 0.00 C ATOM 631 C GLN A 118 -2.358 -11.160 2.500 1.00 0.00 C ATOM 632 O GLN A 118 -1.267 -11.588 2.119 1.00 0.00 O ATOM 633 CB GLN A 118 -4.620 -11.999 1.841 1.00 0.00 C ATOM 634 CG GLN A 118 -5.519 -13.224 1.784 1.00 0.00 C ATOM 635 CD GLN A 118 -6.647 -13.073 0.783 1.00 0.00 C ATOM 636 OE1 GLN A 118 -7.811 -12.648 1.262 1.00 0.00 O flip ATOM 637 NE2 GLN A 118 -6.476 -13.336 -0.408 1.00 0.00 N flip ATOM 0 H GLN A 118 -4.892 -11.379 4.234 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.098 -13.136 2.846 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -5.225 -11.125 2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.191 -11.827 0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -4.921 -14.097 1.523 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -5.938 -13.409 2.773 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -5.565 -13.660 -0.733 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -7.245 -13.230 -1.069 1.00 0.00 H new ATOM 646 N ILE A 119 -2.625 -9.865 2.621 1.00 0.00 N ATOM 647 CA ILE A 119 -1.630 -8.847 2.306 1.00 0.00 C ATOM 648 C ILE A 119 -0.316 -9.121 3.030 1.00 0.00 C ATOM 649 O ILE A 119 0.764 -8.924 2.473 1.00 0.00 O ATOM 650 CB ILE A 119 -2.126 -7.439 2.683 1.00 0.00 C ATOM 651 CG1 ILE A 119 -3.421 -7.114 1.937 1.00 0.00 C ATOM 652 CG2 ILE A 119 -1.057 -6.401 2.377 1.00 0.00 C ATOM 653 CD1 ILE A 119 -4.207 -5.978 2.555 1.00 0.00 C ATOM 0 H ILE A 119 -3.522 -9.495 2.935 1.00 0.00 H new ATOM 0 HA ILE A 119 -1.465 -8.889 1.229 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.330 -7.417 3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -3.182 -6.860 0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -4.048 -8.005 1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.423 -5.411 2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -0.157 -6.625 2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.824 -6.422 1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -5.112 -5.803 1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -4.478 -6.237 3.579 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.598 -5.074 2.559 1.00 0.00 H new ATOM 665 N SER A 120 -0.415 -9.580 4.273 1.00 0.00 N ATOM 666 CA SER A 120 0.766 -9.880 5.074 1.00 0.00 C ATOM 667 C SER A 120 1.526 -11.070 4.496 1.00 0.00 C ATOM 668 O SER A 120 2.732 -10.994 4.261 1.00 0.00 O ATOM 669 CB SER A 120 0.365 -10.172 6.522 1.00 0.00 C ATOM 670 OG SER A 120 -0.304 -11.417 6.625 1.00 0.00 O ATOM 0 H SER A 120 -1.301 -9.752 4.748 1.00 0.00 H new ATOM 0 HA SER A 120 1.420 -9.008 5.054 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.253 -10.179 7.154 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.282 -9.376 6.891 1.00 0.00 H new ATOM 0 HG SER A 120 -1.018 -11.461 5.955 1.00 0.00 H new ATOM 676 N SER A 121 0.812 -12.167 4.268 1.00 0.00 N ATOM 677 CA SER A 121 1.419 -13.375 3.721 1.00 0.00 C ATOM 678 C SER A 121 2.077 -13.090 2.374 1.00 0.00 C ATOM 679 O SER A 121 3.142 -13.622 2.064 1.00 0.00 O ATOM 680 CB SER A 121 0.367 -14.475 3.565 1.00 0.00 C ATOM 681 OG SER A 121 0.973 -15.754 3.501 1.00 0.00 O ATOM 0 H SER A 121 -0.188 -12.245 4.454 1.00 0.00 H new ATOM 0 HA SER A 121 2.187 -13.713 4.417 1.00 0.00 H new ATOM 0 HB2 SER A 121 -0.328 -14.440 4.404 1.00 0.00 H new ATOM 0 HB3 SER A 121 -0.216 -14.300 2.661 1.00 0.00 H new ATOM 0 HG SER A 121 0.280 -16.440 3.403 1.00 0.00 H new ATOM 687 N LYS A 122 1.433 -12.245 1.576 1.00 0.00 N ATOM 688 CA LYS A 122 1.953 -11.886 0.262 1.00 0.00 C ATOM 689 C LYS A 122 3.307 -11.196 0.382 1.00 0.00 C ATOM 690 O LYS A 122 4.323 -11.716 -0.079 1.00 0.00 O ATOM 691 CB LYS A 122 0.966 -10.972 -0.468 1.00 0.00 C ATOM 692 CG LYS A 122 -0.306 -11.677 -0.907 1.00 0.00 C ATOM 693 CD LYS A 122 -1.008 -10.918 -2.021 1.00 0.00 C ATOM 694 CE LYS A 122 -0.285 -11.083 -3.349 1.00 0.00 C ATOM 695 NZ LYS A 122 -0.411 -12.468 -3.881 1.00 0.00 N ATOM 0 H LYS A 122 0.549 -11.796 1.817 1.00 0.00 H new ATOM 0 HA LYS A 122 2.082 -12.803 -0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 122 0.703 -10.140 0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.457 -10.547 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.066 -12.684 -1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.979 -11.780 -0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.033 -11.276 -2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.062 -9.860 -1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -0.691 -10.377 -4.074 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.769 -10.838 -3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.167 -12.475 -4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 0.235 -13.098 -3.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.389 -12.799 -3.759 1.00 0.00 H new ATOM 709 N MET A 123 3.315 -10.023 1.007 1.00 0.00 N ATOM 710 CA MET A 123 4.547 -9.263 1.190 1.00 0.00 C ATOM 711 C MET A 123 5.565 -10.065 1.994 1.00 0.00 C ATOM 712 O MET A 123 6.772 -9.850 1.875 1.00 0.00 O ATOM 713 CB MET A 123 4.253 -7.938 1.895 1.00 0.00 C ATOM 714 CG MET A 123 3.721 -8.106 3.309 1.00 0.00 C ATOM 715 SD MET A 123 5.034 -8.145 4.545 1.00 0.00 S ATOM 716 CE MET A 123 5.633 -6.459 4.455 1.00 0.00 C ATOM 0 H MET A 123 2.483 -9.578 1.395 1.00 0.00 H new ATOM 0 HA MET A 123 4.968 -9.057 0.206 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.166 -7.343 1.927 1.00 0.00 H new ATOM 0 HB3 MET A 123 3.527 -7.376 1.307 1.00 0.00 H new ATOM 0 HG2 MET A 123 3.038 -7.287 3.536 1.00 0.00 H new ATOM 0 HG3 MET A 123 3.144 -9.029 3.369 1.00 0.00 H new ATOM 0 HE1 MET A 123 5.988 -6.146 5.437 1.00 0.00 H new ATOM 0 HE2 MET A 123 6.452 -6.402 3.738 1.00 0.00 H new ATOM 0 HE3 MET A 123 4.824 -5.802 4.135 1.00 0.00 H new ATOM 726 N ARG A 124 5.072 -10.990 2.811 1.00 0.00 N ATOM 727 CA ARG A 124 5.940 -11.822 3.635 1.00 0.00 C ATOM 728 C ARG A 124 6.804 -12.733 2.767 1.00 0.00 C ATOM 729 O ARG A 124 7.989 -12.923 3.039 1.00 0.00 O ATOM 730 CB ARG A 124 5.106 -12.664 4.603 1.00 0.00 C ATOM 731 CG ARG A 124 5.941 -13.470 5.584 1.00 0.00 C ATOM 732 CD ARG A 124 5.151 -14.633 6.164 1.00 0.00 C ATOM 733 NE ARG A 124 5.129 -15.783 5.263 1.00 0.00 N ATOM 734 CZ ARG A 124 6.134 -16.644 5.146 1.00 0.00 C ATOM 735 NH1 ARG A 124 7.234 -16.486 5.869 1.00 0.00 N ATOM 736 NH2 ARG A 124 6.039 -17.665 4.304 1.00 0.00 N ATOM 0 H ARG A 124 4.076 -11.182 2.920 1.00 0.00 H new ATOM 0 HA ARG A 124 6.595 -11.165 4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 124 4.439 -12.007 5.161 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.477 -13.345 4.030 1.00 0.00 H new ATOM 0 HG2 ARG A 124 6.831 -13.848 5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 124 6.282 -12.822 6.391 1.00 0.00 H new ATOM 0 HD2 ARG A 124 5.588 -14.928 7.118 1.00 0.00 H new ATOM 0 HD3 ARG A 124 4.129 -14.312 6.367 1.00 0.00 H new ATOM 0 HE ARG A 124 4.297 -15.933 4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 124 7.310 -15.702 6.517 1.00 0.00 H new ATOM 0 HH12 ARG A 124 8.004 -17.148 5.777 1.00 0.00 H new ATOM 0 HH21 ARG A 124 5.194 -17.789 3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 124 6.811 -18.326 4.215 1.00 0.00 H new ATOM 750 N GLU A 125 6.200 -13.294 1.724 1.00 0.00 N ATOM 751 CA GLU A 125 6.915 -14.185 0.817 1.00 0.00 C ATOM 752 C GLU A 125 8.145 -13.496 0.233 1.00 0.00 C ATOM 753 O GLU A 125 9.186 -14.123 0.033 1.00 0.00 O ATOM 754 CB GLU A 125 5.991 -14.648 -0.312 1.00 0.00 C ATOM 755 CG GLU A 125 5.170 -15.877 0.039 1.00 0.00 C ATOM 756 CD GLU A 125 4.421 -16.438 -1.155 1.00 0.00 C ATOM 757 OE1 GLU A 125 4.202 -15.685 -2.126 1.00 0.00 O ATOM 758 OE2 GLU A 125 4.055 -17.631 -1.117 1.00 0.00 O ATOM 0 H GLU A 125 5.219 -13.148 1.486 1.00 0.00 H new ATOM 0 HA GLU A 125 7.244 -15.054 1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.316 -13.833 -0.575 1.00 0.00 H new ATOM 0 HB3 GLU A 125 6.591 -14.863 -1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.828 -16.646 0.444 1.00 0.00 H new ATOM 0 HG3 GLU A 125 4.457 -15.622 0.823 1.00 0.00 H new ATOM 765 N LYS A 126 8.017 -12.202 -0.039 1.00 0.00 N ATOM 766 CA LYS A 126 9.116 -11.425 -0.600 1.00 0.00 C ATOM 767 C LYS A 126 10.402 -11.656 0.188 1.00 0.00 C ATOM 768 O LYS A 126 11.487 -11.734 -0.386 1.00 0.00 O ATOM 769 CB LYS A 126 8.766 -9.936 -0.602 1.00 0.00 C ATOM 770 CG LYS A 126 7.503 -9.608 -1.378 1.00 0.00 C ATOM 771 CD LYS A 126 7.776 -9.505 -2.869 1.00 0.00 C ATOM 772 CE LYS A 126 6.575 -8.947 -3.618 1.00 0.00 C ATOM 773 NZ LYS A 126 6.810 -8.904 -5.088 1.00 0.00 N ATOM 0 H LYS A 126 7.162 -11.669 0.120 1.00 0.00 H new ATOM 0 HA LYS A 126 9.275 -11.755 -1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 126 8.648 -9.598 0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.599 -9.376 -1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 126 6.753 -10.378 -1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.087 -8.667 -1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 126 8.641 -8.864 -3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 126 8.027 -10.490 -3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 126 5.699 -9.560 -3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 126 6.355 -7.943 -3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 5.969 -8.518 -5.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 7.631 -8.298 -5.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 6.994 -9.866 -5.438 1.00 0.00 H new ATOM 787 N GLY A 127 10.272 -11.765 1.507 1.00 0.00 N ATOM 788 CA GLY A 127 11.431 -11.987 2.351 1.00 0.00 C ATOM 789 C GLY A 127 11.386 -11.167 3.625 1.00 0.00 C ATOM 790 O GLY A 127 12.416 -10.690 4.102 1.00 0.00 O ATOM 0 H GLY A 127 9.384 -11.703 2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 127 11.494 -13.045 2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 127 12.335 -11.739 1.795 1.00 0.00 H new ATOM 794 N PHE A 128 10.189 -11.001 4.178 1.00 0.00 N ATOM 795 CA PHE A 128 10.013 -10.231 5.403 1.00 0.00 C ATOM 796 C PHE A 128 9.055 -10.939 6.357 1.00 0.00 C ATOM 797 O PHE A 128 7.890 -11.165 6.030 1.00 0.00 O ATOM 798 CB PHE A 128 9.487 -8.831 5.080 1.00 0.00 C ATOM 799 CG PHE A 128 10.164 -8.194 3.901 1.00 0.00 C ATOM 800 CD1 PHE A 128 11.314 -7.439 4.070 1.00 0.00 C ATOM 801 CD2 PHE A 128 9.652 -8.350 2.623 1.00 0.00 C ATOM 802 CE1 PHE A 128 11.939 -6.851 2.987 1.00 0.00 C ATOM 803 CE2 PHE A 128 10.273 -7.765 1.536 1.00 0.00 C ATOM 804 CZ PHE A 128 11.418 -7.015 1.718 1.00 0.00 C ATOM 0 H PHE A 128 9.326 -11.390 3.797 1.00 0.00 H new ATOM 0 HA PHE A 128 10.984 -10.143 5.890 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.416 -8.890 4.886 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.618 -8.192 5.953 1.00 0.00 H new ATOM 0 HD1 PHE A 128 11.726 -7.309 5.060 1.00 0.00 H new ATOM 0 HD2 PHE A 128 8.757 -8.936 2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 128 12.834 -6.264 3.132 1.00 0.00 H new ATOM 0 HE2 PHE A 128 9.863 -7.894 0.545 1.00 0.00 H new ATOM 0 HZ PHE A 128 11.905 -6.557 0.870 1.00 0.00 H new ATOM 814 N ASP A 129 9.554 -11.286 7.538 1.00 0.00 N ATOM 815 CA ASP A 129 8.744 -11.967 8.541 1.00 0.00 C ATOM 816 C ASP A 129 8.151 -10.969 9.531 1.00 0.00 C ATOM 817 O ASP A 129 8.816 -10.552 10.479 1.00 0.00 O ATOM 818 CB ASP A 129 9.583 -13.006 9.286 1.00 0.00 C ATOM 819 CG ASP A 129 8.731 -14.055 9.972 1.00 0.00 C ATOM 820 OD1 ASP A 129 7.841 -13.674 10.762 1.00 0.00 O ATOM 821 OD2 ASP A 129 8.952 -15.258 9.719 1.00 0.00 O ATOM 0 H ASP A 129 10.516 -11.107 7.824 1.00 0.00 H new ATOM 0 HA ASP A 129 7.926 -12.472 8.028 1.00 0.00 H new ATOM 0 HB2 ASP A 129 10.259 -13.494 8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.203 -12.503 10.028 1.00 0.00 H new ATOM 826 N ARG A 130 6.898 -10.589 9.302 1.00 0.00 N ATOM 827 CA ARG A 130 6.217 -9.638 10.172 1.00 0.00 C ATOM 828 C ARG A 130 4.868 -10.187 10.627 1.00 0.00 C ATOM 829 O ARG A 130 4.380 -11.183 10.093 1.00 0.00 O ATOM 830 CB ARG A 130 6.020 -8.305 9.450 1.00 0.00 C ATOM 831 CG ARG A 130 5.047 -8.381 8.284 1.00 0.00 C ATOM 832 CD ARG A 130 4.534 -7.004 7.896 1.00 0.00 C ATOM 833 NE ARG A 130 3.403 -7.081 6.974 1.00 0.00 N ATOM 834 CZ ARG A 130 3.081 -6.113 6.123 1.00 0.00 C ATOM 835 NH1 ARG A 130 3.800 -5.000 6.077 1.00 0.00 N ATOM 836 NH2 ARG A 130 2.038 -6.258 5.316 1.00 0.00 N ATOM 0 H ARG A 130 6.334 -10.925 8.521 1.00 0.00 H new ATOM 0 HA ARG A 130 6.840 -9.478 11.052 1.00 0.00 H new ATOM 0 HB2 ARG A 130 5.661 -7.564 10.164 1.00 0.00 H new ATOM 0 HB3 ARG A 130 6.985 -7.953 9.085 1.00 0.00 H new ATOM 0 HG2 ARG A 130 5.539 -8.842 7.427 1.00 0.00 H new ATOM 0 HG3 ARG A 130 4.207 -9.022 8.551 1.00 0.00 H new ATOM 0 HD2 ARG A 130 4.234 -6.463 8.793 1.00 0.00 H new ATOM 0 HD3 ARG A 130 5.340 -6.434 7.434 1.00 0.00 H new ATOM 0 HE ARG A 130 2.829 -7.924 6.984 1.00 0.00 H new ATOM 0 HH11 ARG A 130 4.603 -4.885 6.696 1.00 0.00 H new ATOM 0 HH12 ARG A 130 3.551 -4.258 5.423 1.00 0.00 H new ATOM 0 HH21 ARG A 130 1.483 -7.113 5.349 1.00 0.00 H new ATOM 0 HH22 ARG A 130 1.791 -5.514 4.663 1.00 0.00 H new ATOM 850 N SER A 131 4.272 -9.532 11.618 1.00 0.00 N ATOM 851 CA SER A 131 2.982 -9.956 12.148 1.00 0.00 C ATOM 852 C SER A 131 1.856 -9.081 11.604 1.00 0.00 C ATOM 853 O SER A 131 2.065 -7.938 11.198 1.00 0.00 O ATOM 854 CB SER A 131 2.992 -9.902 13.677 1.00 0.00 C ATOM 855 OG SER A 131 2.536 -8.645 14.146 1.00 0.00 O ATOM 0 H SER A 131 4.662 -8.705 12.070 1.00 0.00 H new ATOM 0 HA SER A 131 2.806 -10.983 11.829 1.00 0.00 H new ATOM 0 HB2 SER A 131 2.359 -10.694 14.076 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.002 -10.086 14.044 1.00 0.00 H new ATOM 0 HG SER A 131 2.550 -8.637 15.126 1.00 0.00 H new ATOM 861 N PRO A 132 0.633 -9.630 11.596 1.00 0.00 N ATOM 862 CA PRO A 132 -0.551 -8.918 11.105 1.00 0.00 C ATOM 863 C PRO A 132 -0.963 -7.775 12.026 1.00 0.00 C ATOM 864 O PRO A 132 -1.608 -6.820 11.595 1.00 0.00 O ATOM 865 CB PRO A 132 -1.632 -10.002 11.081 1.00 0.00 C ATOM 866 CG PRO A 132 -1.193 -10.998 12.099 1.00 0.00 C ATOM 867 CD PRO A 132 0.310 -10.988 12.066 1.00 0.00 C ATOM 0 HA PRO A 132 -0.374 -8.452 10.136 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -2.611 -9.590 11.327 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -1.716 -10.456 10.094 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.563 -10.733 13.089 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -1.582 -11.990 11.868 1.00 0.00 H new ATOM 0 HD2 PRO A 132 0.735 -11.184 13.051 1.00 0.00 H new ATOM 0 HD3 PRO A 132 0.702 -11.750 11.392 1.00 0.00 H new ATOM 875 N ASP A 133 -0.586 -7.879 13.296 1.00 0.00 N ATOM 876 CA ASP A 133 -0.916 -6.853 14.278 1.00 0.00 C ATOM 877 C ASP A 133 -0.208 -5.542 13.952 1.00 0.00 C ATOM 878 O ASP A 133 -0.684 -4.463 14.305 1.00 0.00 O ATOM 879 CB ASP A 133 -0.531 -7.319 15.683 1.00 0.00 C ATOM 880 CG ASP A 133 -1.645 -8.088 16.364 1.00 0.00 C ATOM 881 OD1 ASP A 133 -2.824 -7.732 16.157 1.00 0.00 O ATOM 882 OD2 ASP A 133 -1.339 -9.046 17.104 1.00 0.00 O ATOM 0 H ASP A 133 -0.052 -8.664 13.669 1.00 0.00 H new ATOM 0 HA ASP A 133 -1.992 -6.683 14.242 1.00 0.00 H new ATOM 0 HB2 ASP A 133 0.357 -7.948 15.623 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -0.268 -6.453 16.290 1.00 0.00 H new ATOM 887 N MET A 134 0.933 -5.643 13.276 1.00 0.00 N ATOM 888 CA MET A 134 1.706 -4.465 12.902 1.00 0.00 C ATOM 889 C MET A 134 1.025 -3.705 11.768 1.00 0.00 C ATOM 890 O MET A 134 0.760 -2.508 11.883 1.00 0.00 O ATOM 891 CB MET A 134 3.121 -4.869 12.484 1.00 0.00 C ATOM 892 CG MET A 134 3.675 -6.046 13.270 1.00 0.00 C ATOM 893 SD MET A 134 5.475 -6.131 13.218 1.00 0.00 S ATOM 894 CE MET A 134 5.909 -4.748 14.271 1.00 0.00 C ATOM 0 H MET A 134 1.342 -6.528 12.977 1.00 0.00 H new ATOM 0 HA MET A 134 1.765 -3.809 13.771 1.00 0.00 H new ATOM 0 HB2 MET A 134 3.120 -5.120 11.423 1.00 0.00 H new ATOM 0 HB3 MET A 134 3.786 -4.014 12.609 1.00 0.00 H new ATOM 0 HG2 MET A 134 3.349 -5.971 14.307 1.00 0.00 H new ATOM 0 HG3 MET A 134 3.260 -6.972 12.871 1.00 0.00 H new ATOM 0 HE1 MET A 134 6.932 -4.869 14.627 1.00 0.00 H new ATOM 0 HE2 MET A 134 5.830 -3.820 13.704 1.00 0.00 H new ATOM 0 HE3 MET A 134 5.230 -4.712 15.123 1.00 0.00 H new ATOM 904 N CYS A 135 0.746 -4.407 10.676 1.00 0.00 N ATOM 905 CA CYS A 135 0.097 -3.798 9.521 1.00 0.00 C ATOM 906 C CYS A 135 -1.158 -3.039 9.939 1.00 0.00 C ATOM 907 O CYS A 135 -1.384 -1.906 9.513 1.00 0.00 O ATOM 908 CB CYS A 135 -0.260 -4.867 8.487 1.00 0.00 C ATOM 909 SG CYS A 135 1.003 -6.144 8.281 1.00 0.00 S ATOM 0 H CYS A 135 0.959 -5.398 10.566 1.00 0.00 H new ATOM 0 HA CYS A 135 0.796 -3.090 9.075 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -1.197 -5.341 8.779 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -0.433 -4.384 7.525 1.00 0.00 H new ATOM 0 HG CYS A 135 0.610 -7.003 7.388 1.00 0.00 H new ATOM 915 N THR A 136 -1.975 -3.673 10.776 1.00 0.00 N ATOM 916 CA THR A 136 -3.209 -3.059 11.251 1.00 0.00 C ATOM 917 C THR A 136 -2.923 -1.780 12.029 1.00 0.00 C ATOM 918 O THR A 136 -3.390 -0.701 11.661 1.00 0.00 O ATOM 919 CB THR A 136 -4.007 -4.025 12.148 1.00 0.00 C ATOM 920 OG1 THR A 136 -4.115 -5.305 11.515 1.00 0.00 O ATOM 921 CG2 THR A 136 -5.396 -3.475 12.433 1.00 0.00 C ATOM 0 H THR A 136 -1.804 -4.611 11.138 1.00 0.00 H new ATOM 0 HA THR A 136 -3.803 -2.819 10.369 1.00 0.00 H new ATOM 0 HB THR A 136 -3.475 -4.132 13.093 1.00 0.00 H new ATOM 0 HG1 THR A 136 -3.285 -5.808 11.650 1.00 0.00 H new ATOM 0 HG21 THR A 136 -5.941 -4.174 13.068 1.00 0.00 H new ATOM 0 HG22 THR A 136 -5.310 -2.515 12.941 1.00 0.00 H new ATOM 0 HG23 THR A 136 -5.934 -3.342 11.495 1.00 0.00 H new ATOM 929 N ASP A 137 -2.154 -1.906 13.104 1.00 0.00 N ATOM 930 CA ASP A 137 -1.804 -0.759 13.934 1.00 0.00 C ATOM 931 C ASP A 137 -1.090 0.309 13.111 1.00 0.00 C ATOM 932 O ASP A 137 -1.579 1.429 12.968 1.00 0.00 O ATOM 933 CB ASP A 137 -0.920 -1.197 15.102 1.00 0.00 C ATOM 934 CG ASP A 137 -1.048 -0.279 16.301 1.00 0.00 C ATOM 935 OD1 ASP A 137 -1.337 0.919 16.103 1.00 0.00 O ATOM 936 OD2 ASP A 137 -0.860 -0.759 17.439 1.00 0.00 O ATOM 0 H ASP A 137 -1.760 -2.792 13.422 1.00 0.00 H new ATOM 0 HA ASP A 137 -2.726 -0.332 14.328 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -1.187 -2.212 15.395 1.00 0.00 H new ATOM 0 HB3 ASP A 137 0.120 -1.222 14.777 1.00 0.00 H new ATOM 941 N LYS A 138 0.072 -0.046 12.572 1.00 0.00 N ATOM 942 CA LYS A 138 0.855 0.880 11.763 1.00 0.00 C ATOM 943 C LYS A 138 -0.046 1.690 10.837 1.00 0.00 C ATOM 944 O LYS A 138 0.018 2.920 10.813 1.00 0.00 O ATOM 945 CB LYS A 138 1.895 0.116 10.940 1.00 0.00 C ATOM 946 CG LYS A 138 2.694 1.001 9.998 1.00 0.00 C ATOM 947 CD LYS A 138 3.617 1.937 10.760 1.00 0.00 C ATOM 948 CE LYS A 138 4.380 2.856 9.818 1.00 0.00 C ATOM 949 NZ LYS A 138 4.850 4.089 10.507 1.00 0.00 N ATOM 0 H LYS A 138 0.492 -0.969 12.681 1.00 0.00 H new ATOM 0 HA LYS A 138 1.367 1.568 12.436 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.581 -0.392 11.618 1.00 0.00 H new ATOM 0 HB3 LYS A 138 1.391 -0.656 10.359 1.00 0.00 H new ATOM 0 HG2 LYS A 138 3.282 0.378 9.324 1.00 0.00 H new ATOM 0 HG3 LYS A 138 2.012 1.585 9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.033 2.535 11.460 1.00 0.00 H new ATOM 0 HD3 LYS A 138 4.322 1.353 11.351 1.00 0.00 H new ATOM 0 HE2 LYS A 138 5.236 2.323 9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 138 3.739 3.130 8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 5.365 4.689 9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 4.032 4.611 10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 5.482 3.829 11.291 1.00 0.00 H new ATOM 963 N TRP A 139 -0.885 0.995 10.078 1.00 0.00 N ATOM 964 CA TRP A 139 -1.800 1.651 9.152 1.00 0.00 C ATOM 965 C TRP A 139 -2.613 2.729 9.861 1.00 0.00 C ATOM 966 O TRP A 139 -2.625 3.886 9.441 1.00 0.00 O ATOM 967 CB TRP A 139 -2.739 0.624 8.516 1.00 0.00 C ATOM 968 CG TRP A 139 -3.683 1.220 7.516 1.00 0.00 C ATOM 969 CD1 TRP A 139 -5.022 1.431 7.679 1.00 0.00 C ATOM 970 CD2 TRP A 139 -3.359 1.679 6.199 1.00 0.00 C ATOM 971 NE1 TRP A 139 -5.551 1.995 6.542 1.00 0.00 N ATOM 972 CE2 TRP A 139 -4.551 2.158 5.620 1.00 0.00 C ATOM 973 CE3 TRP A 139 -2.178 1.735 5.454 1.00 0.00 C ATOM 974 CZ2 TRP A 139 -4.593 2.682 4.331 1.00 0.00 C ATOM 975 CZ3 TRP A 139 -2.222 2.256 4.175 1.00 0.00 C ATOM 976 CH2 TRP A 139 -3.422 2.725 3.624 1.00 0.00 C ATOM 0 H TRP A 139 -0.951 -0.023 10.086 1.00 0.00 H new ATOM 0 HA TRP A 139 -1.207 2.125 8.370 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -2.144 -0.148 8.028 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -3.315 0.134 9.301 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -5.583 1.190 8.570 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -6.529 2.251 6.407 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -1.248 1.378 5.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -5.517 3.042 3.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.316 2.303 3.590 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -3.423 3.128 2.622 1.00 0.00 H new ATOM 987 N ARG A 140 -3.289 2.342 10.937 1.00 0.00 N ATOM 988 CA ARG A 140 -4.105 3.277 11.704 1.00 0.00 C ATOM 989 C ARG A 140 -3.345 4.574 11.965 1.00 0.00 C ATOM 990 O ARG A 140 -3.863 5.665 11.734 1.00 0.00 O ATOM 991 CB ARG A 140 -4.529 2.646 13.031 1.00 0.00 C ATOM 992 CG ARG A 140 -5.699 1.684 12.901 1.00 0.00 C ATOM 993 CD ARG A 140 -6.416 1.497 14.230 1.00 0.00 C ATOM 994 NE ARG A 140 -7.828 1.169 14.048 1.00 0.00 N ATOM 995 CZ ARG A 140 -8.698 1.089 15.049 1.00 0.00 C ATOM 996 NH1 ARG A 140 -8.303 1.312 16.295 1.00 0.00 N ATOM 997 NH2 ARG A 140 -9.966 0.786 14.804 1.00 0.00 N ATOM 0 H ARG A 140 -3.288 1.388 11.298 1.00 0.00 H new ATOM 0 HA ARG A 140 -4.995 3.509 11.119 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -3.679 2.115 13.459 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -4.796 3.437 13.731 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -6.401 2.061 12.157 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -5.341 0.720 12.541 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -5.929 0.703 14.796 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -6.329 2.409 14.821 1.00 0.00 H new ATOM 0 HE ARG A 140 -8.164 0.992 13.101 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -7.329 1.546 16.487 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -8.973 1.250 17.061 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -10.274 0.614 13.847 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -10.633 0.725 15.573 1.00 0.00 H new ATOM 1011 N ASN A 141 -2.114 4.445 12.449 1.00 0.00 N ATOM 1012 CA ASN A 141 -1.283 5.607 12.742 1.00 0.00 C ATOM 1013 C ASN A 141 -1.020 6.422 11.479 1.00 0.00 C ATOM 1014 O ASN A 141 -1.128 7.649 11.485 1.00 0.00 O ATOM 1015 CB ASN A 141 0.044 5.167 13.364 1.00 0.00 C ATOM 1016 CG ASN A 141 0.888 6.343 13.819 1.00 0.00 C ATOM 1017 OD1 ASN A 141 0.543 7.035 14.777 1.00 0.00 O ATOM 1018 ND2 ASN A 141 2.000 6.574 13.130 1.00 0.00 N ATOM 0 H ASN A 141 -1.670 3.548 12.646 1.00 0.00 H new ATOM 0 HA ASN A 141 -1.820 6.236 13.453 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -0.155 4.515 14.215 1.00 0.00 H new ATOM 0 HB3 ASN A 141 0.606 4.580 12.637 1.00 0.00 H new ATOM 0 HD21 ASN A 141 2.608 7.351 13.388 1.00 0.00 H new ATOM 0 HD22 ASN A 141 2.246 5.974 12.343 1.00 0.00 H new ATOM 1025 N LEU A 142 -0.676 5.731 10.398 1.00 0.00 N ATOM 1026 CA LEU A 142 -0.398 6.389 9.126 1.00 0.00 C ATOM 1027 C LEU A 142 -1.515 7.362 8.761 1.00 0.00 C ATOM 1028 O LEU A 142 -1.267 8.540 8.501 1.00 0.00 O ATOM 1029 CB LEU A 142 -0.230 5.349 8.017 1.00 0.00 C ATOM 1030 CG LEU A 142 1.000 4.447 8.124 1.00 0.00 C ATOM 1031 CD1 LEU A 142 0.815 3.191 7.287 1.00 0.00 C ATOM 1032 CD2 LEU A 142 2.251 5.197 7.694 1.00 0.00 C ATOM 0 H LEU A 142 -0.583 4.715 10.377 1.00 0.00 H new ATOM 0 HA LEU A 142 0.530 6.952 9.231 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -1.118 4.718 8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -0.192 5.870 7.060 1.00 0.00 H new ATOM 0 HG LEU A 142 1.119 4.150 9.166 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.700 2.561 7.375 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.058 2.642 7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 142 0.669 3.468 6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.116 4.539 7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 142 2.142 5.524 6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 142 2.393 6.066 8.336 1.00 0.00 H new ATOM 1044 N LEU A 143 -2.746 6.862 8.746 1.00 0.00 N ATOM 1045 CA LEU A 143 -3.903 7.688 8.416 1.00 0.00 C ATOM 1046 C LEU A 143 -3.949 8.936 9.291 1.00 0.00 C ATOM 1047 O LEU A 143 -4.060 10.055 8.790 1.00 0.00 O ATOM 1048 CB LEU A 143 -5.193 6.884 8.587 1.00 0.00 C ATOM 1049 CG LEU A 143 -5.305 5.609 7.750 1.00 0.00 C ATOM 1050 CD1 LEU A 143 -6.457 4.746 8.244 1.00 0.00 C ATOM 1051 CD2 LEU A 143 -5.484 5.950 6.278 1.00 0.00 C ATOM 0 H LEU A 143 -2.969 5.890 8.958 1.00 0.00 H new ATOM 0 HA LEU A 143 -3.811 8.000 7.376 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -5.293 6.614 9.638 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -6.036 7.531 8.342 1.00 0.00 H new ATOM 0 HG LEU A 143 -4.380 5.043 7.860 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.522 3.843 7.637 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.286 4.472 9.285 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.390 5.304 8.165 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -5.562 5.030 5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -6.392 6.538 6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -4.626 6.526 5.931 1.00 0.00 H new ATOM 1063 N LYS A 144 -3.860 8.738 10.602 1.00 0.00 N ATOM 1064 CA LYS A 144 -3.888 9.847 11.548 1.00 0.00 C ATOM 1065 C LYS A 144 -2.903 10.937 11.137 1.00 0.00 C ATOM 1066 O LYS A 144 -3.196 12.126 11.256 1.00 0.00 O ATOM 1067 CB LYS A 144 -3.557 9.350 12.957 1.00 0.00 C ATOM 1068 CG LYS A 144 -4.524 8.299 13.475 1.00 0.00 C ATOM 1069 CD LYS A 144 -5.765 8.934 14.080 1.00 0.00 C ATOM 1070 CE LYS A 144 -5.509 9.411 15.502 1.00 0.00 C ATOM 1071 NZ LYS A 144 -6.776 9.571 16.269 1.00 0.00 N ATOM 0 H LYS A 144 -3.768 7.819 11.034 1.00 0.00 H new ATOM 0 HA LYS A 144 -4.893 10.270 11.545 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -2.549 8.936 12.960 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -3.555 10.198 13.641 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -4.814 7.636 12.660 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -4.027 7.683 14.225 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -6.082 9.776 13.464 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -6.582 8.213 14.078 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -4.862 8.698 16.013 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -4.977 10.362 15.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -6.560 9.897 17.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -7.383 10.270 15.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -7.271 8.658 16.316 1.00 0.00 H new ATOM 1085 N GLU A 145 -1.737 10.523 10.653 1.00 0.00 N ATOM 1086 CA GLU A 145 -0.710 11.465 10.224 1.00 0.00 C ATOM 1087 C GLU A 145 -1.113 12.154 8.923 1.00 0.00 C ATOM 1088 O GLU A 145 -1.059 13.379 8.813 1.00 0.00 O ATOM 1089 CB GLU A 145 0.629 10.748 10.041 1.00 0.00 C ATOM 1090 CG GLU A 145 1.048 9.925 11.248 1.00 0.00 C ATOM 1091 CD GLU A 145 2.555 9.819 11.386 1.00 0.00 C ATOM 1092 OE1 GLU A 145 3.169 9.050 10.616 1.00 0.00 O ATOM 1093 OE2 GLU A 145 3.119 10.504 12.263 1.00 0.00 O ATOM 0 H GLU A 145 -1.480 9.542 10.548 1.00 0.00 H new ATOM 0 HA GLU A 145 -0.603 12.224 10.999 1.00 0.00 H new ATOM 0 HB2 GLU A 145 0.566 10.095 9.171 1.00 0.00 H new ATOM 0 HB3 GLU A 145 1.402 11.487 9.830 1.00 0.00 H new ATOM 0 HG2 GLU A 145 0.635 10.374 12.151 1.00 0.00 H new ATOM 0 HG3 GLU A 145 0.623 8.925 11.167 1.00 0.00 H new ATOM 1100 N PHE A 146 -1.515 11.357 7.939 1.00 0.00 N ATOM 1101 CA PHE A 146 -1.926 11.888 6.644 1.00 0.00 C ATOM 1102 C PHE A 146 -3.005 12.954 6.811 1.00 0.00 C ATOM 1103 O PHE A 146 -2.954 14.010 6.180 1.00 0.00 O ATOM 1104 CB PHE A 146 -2.441 10.761 5.747 1.00 0.00 C ATOM 1105 CG PHE A 146 -1.351 9.886 5.197 1.00 0.00 C ATOM 1106 CD1 PHE A 146 -0.303 10.434 4.475 1.00 0.00 C ATOM 1107 CD2 PHE A 146 -1.373 8.516 5.403 1.00 0.00 C ATOM 1108 CE1 PHE A 146 0.702 9.632 3.968 1.00 0.00 C ATOM 1109 CE2 PHE A 146 -0.371 7.709 4.899 1.00 0.00 C ATOM 1110 CZ PHE A 146 0.668 8.268 4.180 1.00 0.00 C ATOM 0 H PHE A 146 -1.565 10.341 8.013 1.00 0.00 H new ATOM 0 HA PHE A 146 -1.056 12.347 6.175 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -3.138 10.145 6.315 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.001 11.194 4.918 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -0.271 11.500 4.306 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -2.183 8.074 5.964 1.00 0.00 H new ATOM 0 HE1 PHE A 146 1.513 10.072 3.407 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.400 6.643 5.067 1.00 0.00 H new ATOM 0 HZ PHE A 146 1.452 7.639 3.785 1.00 0.00 H new